Title: Spectroscopic constants and line positions for TiO singlet states Authors: Dror M. Bittner and Peter F. Bernath Table: Table 2. Line positions of TiO in PGOPHER linelist style ================================================================================ Byte-by-byte Description of file: datafile.txt -------------------------------------------------------------------------------- Bytes Format Units Label Explanations -------------------------------------------------------------------------------- 1- 14 A14 -- Molecule The molecule responsible for this transition. 16- 22 A7 -- M' Manifold for the upper state of the transition 24- 26 I3 -- J' Upper state total angular momentum or M'. (M' in the presence of static field, otherwise J' in the absence of hyperfine structure, otherwise F'). 28- 28 I1 -- S' Symmetry of the upper state. 30- 30 I1 -- (#') Eigenvalue number for upper state. This gives the index (starting from 1) of the upper energy level with respect to other levels of the same total angular momentum and symmetry. 32- 39 A8 -- M'' Manifold for the lower state of the transition 41- 43 I3 -- J'' Lower state total angular momentum or M". (M" in the presence of static field, otherwise J' in the absence of hyperfine structure, otherwise F'). 45- 45 I1 -- S'' Symmetry of the lower state. 47- 47 I1 -- (#'') Eigenvalue number for lower state. This gives the index (starting from 1) of the upper energy level with respect to other levels of the same total angular momentum and symmetry. 49- 58 F10.4 cm-1 Position The position of the transition. 60- 66 A7 -- (Various) The transition label in branch notation, such as P(1). The display will depend on the molecule type and the electronic and nuclear angular momenta included in the calculation. 68-146 A79 -- Name Details of the transition, including other (possibly approximate) quantum numbers where appropriate. The assignment process will also add the source of the measurement (typically a filename) where possible. -------------------------------------------------------------------------------- Note (1): Information on PGOPHER linelist can be found in http://pgopher.chm.bris.ac.uk/Help/lineform.htm and http://pgopher.chm.bris.ac.uk/Help/linformat.htm -------------------------------------------------------------------------------- LinearMolecule b1Pi 45 0 4 d1Sigma+ 45 1 6 6735.7276 Q(45) : b1Pi v=3 45 f - d1Sigma+ v=5 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 4 d1Sigma+ 43 1 6 6740.6132 Q(43) : b1Pi v=3 43 f - d1Sigma+ v=5 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 4 d1Sigma+ 42 0 6 6742.9677 Q(42) : b1Pi v=3 42 f - d1Sigma+ v=5 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 4 d1Sigma+ 41 1 6 6745.2769 Q(41) : b1Pi v=3 41 f - d1Sigma+ v=5 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 4 d1Sigma+ 40 0 6 6747.5199 Q(40) : b1Pi v=3 40 f - d1Sigma+ v=5 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 4 d1Sigma+ 39 1 6 6749.7216 Q(39) : b1Pi v=3 39 f - d1Sigma+ v=5 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 4 d1Sigma+ 34 0 6 6759.8705 Q(34) : b1Pi v=3 34 f - d1Sigma+ v=5 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 4 d1Sigma+ 32 0 6 6763.5479 Q(32) : b1Pi v=3 32 f - d1Sigma+ v=5 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 4 d1Sigma+ 31 1 6 6765.3067 Q(31) : b1Pi v=3 31 f - d1Sigma+ v=5 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 4 d1Sigma+ 30 0 6 6767.0000 Q(30) : b1Pi v=3 30 f - d1Sigma+ v=5 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 4 d1Sigma+ 29 1 6 6768.6497 Q(29) : b1Pi v=3 29 f - d1Sigma+ v=5 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 4 d1Sigma+ 28 0 6 6770.2412 Q(28) : b1Pi v=3 28 f - d1Sigma+ v=5 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 4 d1Sigma+ 27 1 6 6771.7744 Q(27) : b1Pi v=3 27 f - d1Sigma+ v=5 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 4 d1Sigma+ 25 1 6 6774.6877 Q(25) : b1Pi v=3 25 f - d1Sigma+ v=5 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 4 d1Sigma+ 23 1 6 6777.3738 Q(23) : b1Pi v=3 23 f - d1Sigma+ v=5 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 4 d1Sigma+ 21 1 6 6779.8445 Q(21) : b1Pi v=3 21 f - d1Sigma+ v=5 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 4 d1Sigma+ 9 1 6 6780.9912 P(9) : b1Pi v=3 8 e - d1Sigma+ v=5 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 4 d1Sigma+ 20 0 6 6780.9912 Q(20) : b1Pi v=3 20 f - d1Sigma+ v=5 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 4 d1Sigma+ 18 0 6 6783.1339 Q(18) : b1Pi v=3 18 f - d1Sigma+ v=5 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 4 d1Sigma+ 17 1 6 6784.1202 Q(17) : b1Pi v=3 17 f - d1Sigma+ v=5 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 d1Sigma+ 46 0 4 6846.4611 P(46) : b1Pi v=1 45 e - d1Sigma+ v=3 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 3 d1Sigma+ 29 1 5 6848.8369 Q(29) : b1Pi v=2 29 f - d1Sigma+ v=4 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 3 d1Sigma+ 28 0 5 6850.4554 Q(28) : b1Pi v=2 28 f - d1Sigma+ v=4 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 3 d1Sigma+ 27 1 5 6852.0277 Q(27) : b1Pi v=2 27 f - d1Sigma+ v=4 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 3 d1Sigma+ 26 0 5 6853.5204 Q(26) : b1Pi v=2 26 f - d1Sigma+ v=4 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 3 d1Sigma+ 25 1 5 6854.9675 Q(25) : b1Pi v=2 25 f - d1Sigma+ v=4 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 3 d1Sigma+ 24 0 5 6856.3645 Q(24) : b1Pi v=2 24 f - d1Sigma+ v=4 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 3 d1Sigma+ 22 0 5 6858.9843 Q(22) : b1Pi v=2 22 f - d1Sigma+ v=4 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 3 d1Sigma+ 21 1 5 6860.2052 Q(21) : b1Pi v=2 21 f - d1Sigma+ v=4 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 3 d1Sigma+ 19 1 5 6862.4948 Q(19) : b1Pi v=2 19 f - d1Sigma+ v=4 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 3 d1Sigma+ 18 0 5 6863.5529 Q(18) : b1Pi v=2 18 f - d1Sigma+ v=4 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 3 d1Sigma+ 16 0 5 6865.5076 Q(16) : b1Pi v=2 16 f - d1Sigma+ v=4 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 3 d1Sigma+ 15 1 5 6866.3914 Q(15) : b1Pi v=2 15 f - d1Sigma+ v=4 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 3 d1Sigma+ 13 1 5 6882.1512 R(13) : b1Pi v=2 14 e - d1Sigma+ v=4 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 3 d1Sigma+ 22 0 5 6882.1512 R(22) : b1Pi v=2 23 e - d1Sigma+ v=4 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 3 d1Sigma+ 20 0 5 6882.5510 R(20) : b1Pi v=2 21 e - d1Sigma+ v=4 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 3 d1Sigma+ 15 1 5 6882.5510 R(15) : b1Pi v=2 16 e - d1Sigma+ v=4 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 3 d1Sigma+ 16 0 5 6882.6600 R(16) : b1Pi v=2 17 e - d1Sigma+ v=4 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 3 d1Sigma+ 19 1 5 6882.6600 R(19) : b1Pi v=2 20 e - d1Sigma+ v=4 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 3 d1Sigma+ 18 0 5 6882.7124 R(18) : b1Pi v=2 19 e - d1Sigma+ v=4 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 3 d1Sigma+ 17 1 5 6882.7124 R(17) : b1Pi v=2 18 e - d1Sigma+ v=4 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 d1Sigma+ 42 0 4 6903.4723 Q(42) : b1Pi v=1 42 f - d1Sigma+ v=3 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 d1Sigma+ 40 0 4 6908.1707 Q(40) : b1Pi v=1 40 f - d1Sigma+ v=3 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 d1Sigma+ 39 1 4 6910.4359 Q(39) : b1Pi v=1 39 f - d1Sigma+ v=3 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 d1Sigma+ 38 0 4 6912.6482 Q(38) : b1Pi v=1 38 f - d1Sigma+ v=3 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 d1Sigma+ 35 1 4 6918.9326 Q(35) : b1Pi v=1 35 f - d1Sigma+ v=3 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 d1Sigma+ 29 1 4 6929.9820 Q(29) : b1Pi v=1 29 f - d1Sigma+ v=3 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 d1Sigma+ 28 0 4 6931.6248 Q(28) : b1Pi v=1 28 f - d1Sigma+ v=3 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 1 d1Sigma+ 60 0 3 6931.7473 Q(60) : b1Pi v=0 60 f - d1Sigma+ v=2 60 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 d1Sigma+ 27 1 4 6933.2132 Q(27) : b1Pi v=1 27 f - d1Sigma+ v=3 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 d1Sigma+ 26 0 4 6934.7422 Q(26) : b1Pi v=1 26 f - d1Sigma+ v=3 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 2 d1Sigma+ 13 1 4 6936.2156 P(13) : b1Pi v=1 12 e - d1Sigma+ v=3 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 d1Sigma+ 25 1 4 6936.2156 Q(25) : b1Pi v=1 25 f - d1Sigma+ v=3 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 d1Sigma+ 24 0 4 6937.6287 Q(24) : b1Pi v=1 24 f - d1Sigma+ v=3 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 2 d1Sigma+ 22 0 4 6940.2936 Q(22) : b1Pi v=1 22 f - d1Sigma+ v=3 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 2 d1Sigma+ 21 1 4 6941.5406 Q(21) : b1Pi v=1 21 f - d1Sigma+ v=3 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 2 d1Sigma+ 20 0 4 6942.7231 Q(20) : b1Pi v=1 20 f - d1Sigma+ v=3 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 2 d1Sigma+ 19 1 4 6943.8605 Q(19) : b1Pi v=1 19 f - d1Sigma+ v=3 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 2 d1Sigma+ 18 0 4 6944.9388 Q(18) : b1Pi v=1 18 f - d1Sigma+ v=3 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 2 d1Sigma+ 17 1 4 6945.9588 Q(17) : b1Pi v=1 17 f - d1Sigma+ v=3 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 2 d1Sigma+ 16 0 4 6946.9230 Q(16) : b1Pi v=1 16 f - d1Sigma+ v=3 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 2 d1Sigma+ 15 1 4 6947.8289 Q(15) : b1Pi v=1 15 f - d1Sigma+ v=3 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 2 d1Sigma+ 14 0 4 6948.6686 Q(14) : b1Pi v=1 14 f - d1Sigma+ v=3 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 d1Sigma+ 31 1 4 6958.8651 R(31) : b1Pi v=1 32 e - d1Sigma+ v=3 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 d1Sigma+ 30 0 4 6959.6262 R(30) : b1Pi v=1 31 e - d1Sigma+ v=3 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 d1Sigma+ 29 1 4 6960.3226 R(29) : b1Pi v=1 30 e - d1Sigma+ v=3 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 d1Sigma+ 25 1 4 6962.5405 R(25) : b1Pi v=1 26 e - d1Sigma+ v=3 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 2 d1Sigma+ 10 0 4 6962.6831 R(10) : b1Pi v=1 11 e - d1Sigma+ v=3 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 d1Sigma+ 24 0 4 6962.9490 R(24) : b1Pi v=1 25 e - d1Sigma+ v=3 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 23 1 4 6963.3040 R(23) : b1Pi v=1 24 e - d1Sigma+ v=3 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 2 d1Sigma+ 12 0 4 6963.4137 R(12) : b1Pi v=1 13 e - d1Sigma+ v=3 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 d1Sigma+ 22 0 4 6963.6009 R(22) : b1Pi v=1 23 e - d1Sigma+ v=3 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 2 d1Sigma+ 13 1 4 6963.6952 R(13) : b1Pi v=1 14 e - d1Sigma+ v=3 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 21 1 4 6963.8348 R(21) : b1Pi v=1 22 e - d1Sigma+ v=3 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 2 d1Sigma+ 14 0 4 6963.9062 R(14) : b1Pi v=1 15 e - d1Sigma+ v=3 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 2 d1Sigma+ 20 0 4 6964.0285 R(20) : b1Pi v=1 21 e - d1Sigma+ v=3 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 2 d1Sigma+ 15 1 4 6964.0667 R(15) : b1Pi v=1 16 e - d1Sigma+ v=3 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 2 d1Sigma+ 19 1 4 6964.1451 R(19) : b1Pi v=1 20 e - d1Sigma+ v=3 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 2 d1Sigma+ 16 0 4 6964.1815 R(16) : b1Pi v=1 17 e - d1Sigma+ v=3 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 d1Sigma+ 49 1 3 6966.6354 Q(49) : b1Pi v=0 49 f - d1Sigma+ v=2 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 1 d1Sigma+ 46 0 3 6974.9311 Q(46) : b1Pi v=0 46 f - d1Sigma+ v=2 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 1 d1Sigma+ 45 1 3 6977.5827 Q(45) : b1Pi v=0 45 f - d1Sigma+ v=2 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 d1Sigma+ 43 1 3 6982.7068 Q(43) : b1Pi v=0 43 f - d1Sigma+ v=2 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 1 d1Sigma+ 41 1 3 6987.6110 Q(41) : b1Pi v=0 41 f - d1Sigma+ v=2 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 d1Sigma+ 27 1 3 6987.7310 P(27) : b1Pi v=0 26 e - d1Sigma+ v=2 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 1 d1Sigma+ 40 0 3 6989.9743 Q(40) : b1Pi v=0 40 f - d1Sigma+ v=2 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 d1Sigma+ 26 0 3 6990.3138 P(26) : b1Pi v=0 25 e - d1Sigma+ v=2 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 d1Sigma+ 24 0 3 6995.3101 P(24) : b1Pi v=0 23 e - d1Sigma+ v=2 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 1 d1Sigma+ 37 1 3 6996.7173 Q(37) : b1Pi v=0 37 f - d1Sigma+ v=2 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 d1Sigma+ 23 1 3 6997.7230 P(23) : b1Pi v=0 22 e - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 1 d1Sigma+ 36 0 3 6998.8500 Q(36) : b1Pi v=0 36 f - d1Sigma+ v=2 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 1 d1Sigma+ 35 1 3 7000.9323 Q(35) : b1Pi v=0 35 f - d1Sigma+ v=2 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 1 d1Sigma+ 21 1 3 7002.3735 P(21) : b1Pi v=0 20 e - d1Sigma+ v=2 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 d1Sigma+ 34 0 3 7002.9424 Q(34) : b1Pi v=0 34 f - d1Sigma+ v=2 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 d1Sigma+ 33 1 3 7004.8982 Q(33) : b1Pi v=0 33 f - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 d1Sigma+ 32 0 3 7006.7970 Q(32) : b1Pi v=0 32 f - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 1 d1Sigma+ 19 1 3 7006.7970 P(19) : b1Pi v=0 18 e - d1Sigma+ v=2 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 d1Sigma+ 31 1 3 7008.6481 Q(31) : b1Pi v=0 31 f - d1Sigma+ v=2 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 d1Sigma+ 30 0 3 7010.4348 Q(30) : b1Pi v=0 30 f - d1Sigma+ v=2 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 d1Sigma+ 29 1 3 7012.1693 Q(29) : b1Pi v=0 29 f - d1Sigma+ v=2 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 1 d1Sigma+ 28 0 3 7013.8382 Q(28) : b1Pi v=0 28 f - d1Sigma+ v=2 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 1 d1Sigma+ 27 1 3 7015.4521 Q(27) : b1Pi v=0 27 f - d1Sigma+ v=2 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 1 d1Sigma+ 14 0 3 7016.8269 P(14) : b1Pi v=0 13 e - d1Sigma+ v=2 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 1 d1Sigma+ 26 0 3 7017.0080 Q(26) : b1Pi v=0 26 f - d1Sigma+ v=2 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 1 d1Sigma+ 25 1 3 7018.5061 Q(25) : b1Pi v=0 25 f - d1Sigma+ v=2 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 1 d1Sigma+ 24 0 3 7019.9426 Q(24) : b1Pi v=0 24 f - d1Sigma+ v=2 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 1 d1Sigma+ 23 1 3 7021.3303 Q(23) : b1Pi v=0 23 f - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 1 d1Sigma+ 10 0 3 7023.8130 P(10) : b1Pi v=0 9 e - d1Sigma+ v=2 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 1 d1Sigma+ 20 0 3 7025.1311 Q(20) : b1Pi v=0 20 f - d1Sigma+ v=2 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 1 d1Sigma+ 18 0 3 7027.3810 Q(18) : b1Pi v=0 18 f - d1Sigma+ v=2 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 1 d1Sigma+ 17 1 3 7028.4184 Q(17) : b1Pi v=0 17 f - d1Sigma+ v=2 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 1 d1Sigma+ 16 0 3 7029.4038 Q(16) : b1Pi v=0 16 f - d1Sigma+ v=2 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 1 d1Sigma+ 15 1 3 7030.3234 Q(15) : b1Pi v=0 15 f - d1Sigma+ v=2 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 1 d1Sigma+ 11 1 3 7033.4379 Q(11) : b1Pi v=0 11 f - d1Sigma+ v=2 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 d1Sigma+ 38 0 3 7034.0670 R(38) : b1Pi v=0 39 e - d1Sigma+ v=2 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 1 d1Sigma+ 10 0 3 7034.0670 Q(10) : b1Pi v=0 10 f - d1Sigma+ v=2 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 1 d1Sigma+ 9 1 3 7034.6410 Q(9) : b1Pi v=0 9 f - d1Sigma+ v=2 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 1 d1Sigma+ 8 0 3 7035.1633 Q(8) : b1Pi v=0 8 f - d1Sigma+ v=2 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 d1Sigma+ 37 1 3 7035.2543 R(37) : b1Pi v=0 38 e - d1Sigma+ v=2 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 1 d1Sigma+ 6 0 3 7036.0277 Q(6) : b1Pi v=0 6 f - d1Sigma+ v=2 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 d1Sigma+ 35 1 3 7037.4609 R(35) : b1Pi v=0 36 e - d1Sigma+ v=2 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 d1Sigma+ 33 1 3 7039.4319 R(33) : b1Pi v=0 34 e - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 d1Sigma+ 29 1 3 7042.6742 R(29) : b1Pi v=0 30 e - d1Sigma+ v=2 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 d1Sigma+ 25 1 3 7044.9701 R(25) : b1Pi v=0 26 e - d1Sigma+ v=2 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 3 d1Sigma+ 38 0 4 7810.8151 Q(38) : b1Pi v=2 38 f - d1Sigma+ v=3 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 3 d1Sigma+ 37 1 4 7813.1887 Q(37) : b1Pi v=2 37 f - d1Sigma+ v=3 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 3 d1Sigma+ 36 0 4 7815.5020 Q(36) : b1Pi v=2 36 f - d1Sigma+ v=3 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 3 d1Sigma+ 35 1 4 7817.7517 Q(35) : b1Pi v=2 35 f - d1Sigma+ v=3 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 3 d1Sigma+ 22 0 4 7819.0031 P(22) : b1Pi v=2 21 e - d1Sigma+ v=3 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 3 d1Sigma+ 34 0 4 7819.9529 Q(34) : b1Pi v=2 34 f - d1Sigma+ v=3 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 2 d1Sigma+ 63 1 3 7820.5181 Q(63) : b1Pi v=1 63 f - d1Sigma+ v=2 63 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 d1Sigma+ 49 1 3 7820.7515 P(49) : b1Pi v=1 48 e - d1Sigma+ v=2 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 3 d1Sigma+ 21 1 4 7821.4036 P(21) : b1Pi v=2 20 e - d1Sigma+ v=3 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 3 d1Sigma+ 33 1 4 7822.0687 Q(33) : b1Pi v=2 33 f - d1Sigma+ v=3 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 3 d1Sigma+ 20 0 4 7823.7174 P(20) : b1Pi v=2 19 e - d1Sigma+ v=3 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 3 d1Sigma+ 32 0 4 7824.1308 Q(32) : b1Pi v=2 32 f - d1Sigma+ v=3 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 d1Sigma+ 48 0 3 7824.8775 P(48) : b1Pi v=1 47 e - d1Sigma+ v=2 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 3 d1Sigma+ 19 1 4 7825.9875 P(19) : b1Pi v=2 18 e - d1Sigma+ v=3 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 3 d1Sigma+ 31 1 4 7826.1296 Q(31) : b1Pi v=2 31 f - d1Sigma+ v=3 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 3 d1Sigma+ 30 0 4 7828.0683 Q(30) : b1Pi v=2 30 f - d1Sigma+ v=3 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 3 d1Sigma+ 18 0 4 7828.1885 P(18) : b1Pi v=2 17 e - d1Sigma+ v=3 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 3 d1Sigma+ 50 0 4 7828.3291 R(50) : b1Pi v=2 51 e - d1Sigma+ v=3 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 2 d1Sigma+ 61 1 3 7828.4490 Q(61) : b1Pi v=1 61 f - d1Sigma+ v=2 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 d1Sigma+ 47 1 3 7828.9428 P(47) : b1Pi v=1 46 e - d1Sigma+ v=2 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 3 d1Sigma+ 29 1 4 7829.9446 Q(29) : b1Pi v=2 29 f - d1Sigma+ v=3 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 3 d1Sigma+ 28 0 4 7831.7579 Q(28) : b1Pi v=2 28 f - d1Sigma+ v=3 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 d1Sigma+ 60 0 3 7832.3232 Q(60) : b1Pi v=1 60 f - d1Sigma+ v=2 60 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 d1Sigma+ 46 0 3 7832.9381 P(46) : b1Pi v=1 45 e - d1Sigma+ v=2 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 3 d1Sigma+ 27 1 4 7833.5078 Q(27) : b1Pi v=2 27 f - d1Sigma+ v=3 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 3 d1Sigma+ 15 1 4 7834.4281 P(15) : b1Pi v=2 14 e - d1Sigma+ v=3 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 3 d1Sigma+ 26 0 4 7835.1968 Q(26) : b1Pi v=2 26 f - d1Sigma+ v=3 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 2 d1Sigma+ 59 1 3 7836.1285 Q(59) : b1Pi v=1 59 f - d1Sigma+ v=2 59 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 d1Sigma+ 45 1 3 7836.8677 P(45) : b1Pi v=1 44 e - d1Sigma+ v=2 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 3 d1Sigma+ 24 0 4 7838.3833 Q(24) : b1Pi v=2 24 f - d1Sigma+ v=3 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 3 d1Sigma+ 23 1 4 7839.8788 Q(23) : b1Pi v=2 23 f - d1Sigma+ v=3 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 d1Sigma+ 44 0 3 7840.7355 P(44) : b1Pi v=1 43 e - d1Sigma+ v=2 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 3 d1Sigma+ 22 0 4 7841.3203 Q(22) : b1Pi v=2 22 f - d1Sigma+ v=3 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 3 d1Sigma+ 11 1 4 7841.8693 P(11) : b1Pi v=2 10 e - d1Sigma+ v=3 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 3 d1Sigma+ 21 1 4 7842.6952 Q(21) : b1Pi v=2 21 f - d1Sigma+ v=3 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 d1Sigma+ 57 1 3 7843.5572 Q(57) : b1Pi v=1 57 f - d1Sigma+ v=2 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 3 d1Sigma+ 19 1 4 7845.2591 Q(19) : b1Pi v=2 19 f - d1Sigma+ v=3 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 3 d1Sigma+ 16 0 4 7848.6337 Q(16) : b1Pi v=2 16 f - d1Sigma+ v=3 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 3 d1Sigma+ 15 1 4 7849.6322 Q(15) : b1Pi v=2 15 f - d1Sigma+ v=3 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 d1Sigma+ 55 1 3 7850.7250 Q(55) : b1Pi v=1 55 f - d1Sigma+ v=2 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 2 d1Sigma+ 54 0 3 7854.2173 Q(54) : b1Pi v=1 54 f - d1Sigma+ v=2 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 d1Sigma+ 40 0 3 7855.5946 P(40) : b1Pi v=1 39 e - d1Sigma+ v=2 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 2 d1Sigma+ 53 1 3 7857.6400 Q(53) : b1Pi v=1 53 f - d1Sigma+ v=2 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 d1Sigma+ 39 1 3 7859.1490 P(39) : b1Pi v=1 38 e - d1Sigma+ v=2 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 d1Sigma+ 52 0 3 7861.0048 Q(52) : b1Pi v=1 52 f - d1Sigma+ v=2 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 d1Sigma+ 38 0 3 7862.6393 P(38) : b1Pi v=1 37 e - d1Sigma+ v=2 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 d1Sigma+ 51 1 3 7864.3026 Q(51) : b1Pi v=1 51 f - d1Sigma+ v=2 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 d1Sigma+ 37 1 3 7866.0695 P(37) : b1Pi v=1 36 e - d1Sigma+ v=2 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 2 d1Sigma+ 50 0 3 7867.5387 Q(50) : b1Pi v=1 50 f - d1Sigma+ v=2 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 d1Sigma+ 36 0 3 7869.4310 P(36) : b1Pi v=1 35 e - d1Sigma+ v=2 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 2 d1Sigma+ 49 1 3 7870.7122 Q(49) : b1Pi v=1 49 f - d1Sigma+ v=2 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 d1Sigma+ 58 0 2 7871.1686 P(58) : b1Pi v=0 57 e - d1Sigma+ v=1 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 1 d1Sigma+ 72 0 2 7871.5271 Q(72) : b1Pi v=0 72 f - d1Sigma+ v=1 72 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 d1Sigma+ 35 1 3 7872.7347 P(35) : b1Pi v=1 34 e - d1Sigma+ v=2 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 d1Sigma+ 48 0 3 7873.8211 Q(48) : b1Pi v=1 48 f - d1Sigma+ v=2 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 d1Sigma+ 34 0 3 7875.9730 P(34) : b1Pi v=1 33 e - d1Sigma+ v=2 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 d1Sigma+ 47 1 3 7876.8652 Q(47) : b1Pi v=1 47 f - d1Sigma+ v=2 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 d1Sigma+ 33 1 3 7879.1498 P(33) : b1Pi v=1 32 e - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 2 d1Sigma+ 46 0 3 7879.8469 Q(46) : b1Pi v=1 46 f - d1Sigma+ v=2 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 d1Sigma+ 32 0 3 7882.2636 P(32) : b1Pi v=1 31 e - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 d1Sigma+ 45 1 3 7882.7636 Q(45) : b1Pi v=1 45 f - d1Sigma+ v=2 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 d1Sigma+ 31 1 3 7885.3132 P(31) : b1Pi v=1 30 e - d1Sigma+ v=2 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 2 d1Sigma+ 44 0 3 7885.6201 Q(44) : b1Pi v=1 44 f - d1Sigma+ v=2 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 d1Sigma+ 30 0 3 7888.3022 P(30) : b1Pi v=1 29 e - d1Sigma+ v=2 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 2 d1Sigma+ 43 1 3 7888.4135 Q(43) : b1Pi v=1 43 f - d1Sigma+ v=2 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 d1Sigma+ 42 0 3 7891.1376 Q(42) : b1Pi v=1 42 f - d1Sigma+ v=2 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 d1Sigma+ 41 1 3 7893.8005 Q(41) : b1Pi v=1 41 f - d1Sigma+ v=2 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 2 d1Sigma+ 28 0 3 7894.0773 P(28) : b1Pi v=1 27 e - d1Sigma+ v=2 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 1 d1Sigma+ 53 1 2 7894.2840 P(53) : b1Pi v=0 52 e - d1Sigma+ v=1 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 d1Sigma+ 40 0 3 7896.4031 Q(40) : b1Pi v=1 40 f - d1Sigma+ v=2 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 1 d1Sigma+ 66 0 2 7898.3797 Q(66) : b1Pi v=0 66 f - d1Sigma+ v=1 66 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 d1Sigma+ 39 1 3 7898.9420 Q(39) : b1Pi v=1 39 f - d1Sigma+ v=2 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 d1Sigma+ 26 0 3 7899.6127 P(26) : b1Pi v=1 25 e - d1Sigma+ v=2 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 d1Sigma+ 38 0 3 7901.4139 Q(38) : b1Pi v=1 38 f - d1Sigma+ v=2 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 d1Sigma+ 38 0 3 7901.4139 Q(38) : b1Pi v=1 38 f - d1Sigma+ v=2 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 25 1 3 7902.2827 P(25) : b1Pi v=1 24 e - d1Sigma+ v=2 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 1 d1Sigma+ 65 1 2 7902.6360 Q(65) : b1Pi v=0 65 f - d1Sigma+ v=1 65 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 d1Sigma+ 51 1 2 7903.0866 P(51) : b1Pi v=0 50 e - d1Sigma+ v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 d1Sigma+ 37 1 3 7903.8248 Q(37) : b1Pi v=1 37 f - d1Sigma+ v=2 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 d1Sigma+ 36 0 3 7906.1716 Q(36) : b1Pi v=1 36 f - d1Sigma+ v=2 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 d1Sigma+ 55 1 3 7906.8242 R(55) : b1Pi v=1 56 e - d1Sigma+ v=2 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 23 1 3 7907.4347 P(23) : b1Pi v=1 22 e - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 d1Sigma+ 35 1 3 7908.4541 Q(35) : b1Pi v=1 35 f - d1Sigma+ v=2 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 d1Sigma+ 34 0 3 7910.6738 Q(34) : b1Pi v=1 34 f - d1Sigma+ v=2 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 d1Sigma+ 49 1 2 7911.6294 P(49) : b1Pi v=0 48 e - d1Sigma+ v=1 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 d1Sigma+ 53 1 3 7911.7804 R(53) : b1Pi v=1 54 e - d1Sigma+ v=2 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 2 d1Sigma+ 21 1 3 7912.3256 P(21) : b1Pi v=1 20 e - d1Sigma+ v=2 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 d1Sigma+ 33 1 3 7912.8306 Q(33) : b1Pi v=1 33 f - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 2 d1Sigma+ 52 0 3 7914.1668 R(52) : b1Pi v=1 53 e - d1Sigma+ v=2 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 2 d1Sigma+ 20 0 3 7914.6813 P(20) : b1Pi v=1 19 e - d1Sigma+ v=2 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 d1Sigma+ 32 0 3 7914.9242 Q(32) : b1Pi v=1 32 f - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 1 d1Sigma+ 62 0 2 7915.0006 Q(62) : b1Pi v=0 62 f - d1Sigma+ v=1 62 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 d1Sigma+ 48 0 2 7915.8025 P(48) : b1Pi v=0 47 e - d1Sigma+ v=1 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 d1Sigma+ 31 1 3 7916.9568 Q(31) : b1Pi v=1 31 f - d1Sigma+ v=2 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 2 d1Sigma+ 30 0 3 7918.9170 Q(30) : b1Pi v=1 30 f - d1Sigma+ v=2 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 1 d1Sigma+ 61 1 2 7918.9935 Q(61) : b1Pi v=0 61 f - d1Sigma+ v=1 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 2 d1Sigma+ 18 0 3 7919.2008 P(18) : b1Pi v=1 17 e - d1Sigma+ v=2 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 d1Sigma+ 47 1 2 7919.9174 P(47) : b1Pi v=0 46 e - d1Sigma+ v=1 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 d1Sigma+ 29 1 3 7920.8214 Q(29) : b1Pi v=1 29 f - d1Sigma+ v=2 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 2 d1Sigma+ 17 1 3 7921.3645 P(17) : b1Pi v=1 16 e - d1Sigma+ v=2 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 d1Sigma+ 28 0 3 7922.6609 Q(28) : b1Pi v=1 28 f - d1Sigma+ v=2 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 2 d1Sigma+ 16 0 3 7923.4558 P(16) : b1Pi v=1 15 e - d1Sigma+ v=2 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 d1Sigma+ 46 0 2 7923.9634 P(46) : b1Pi v=0 45 e - d1Sigma+ v=1 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 d1Sigma+ 27 1 3 7924.4358 Q(27) : b1Pi v=1 27 f - d1Sigma+ v=2 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 d1Sigma+ 47 1 3 7925.1148 R(47) : b1Pi v=1 48 e - d1Sigma+ v=2 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 2 d1Sigma+ 15 1 3 7925.4898 P(15) : b1Pi v=1 14 e - d1Sigma+ v=2 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 d1Sigma+ 26 0 3 7926.1495 Q(26) : b1Pi v=1 26 f - d1Sigma+ v=2 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 d1Sigma+ 25 1 3 7927.7958 Q(25) : b1Pi v=1 25 f - d1Sigma+ v=2 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 d1Sigma+ 45 1 2 7927.9528 P(45) : b1Pi v=0 44 e - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 d1Sigma+ 45 1 3 7929.0298 R(45) : b1Pi v=1 46 e - d1Sigma+ v=2 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 d1Sigma+ 24 0 3 7929.3790 Q(24) : b1Pi v=1 24 f - d1Sigma+ v=2 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 d1Sigma+ 58 0 2 7930.5873 Q(58) : b1Pi v=0 58 f - d1Sigma+ v=1 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 d1Sigma+ 23 1 3 7930.9029 Q(23) : b1Pi v=1 23 f - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 d1Sigma+ 44 0 2 7931.8700 P(44) : b1Pi v=0 43 e - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 2 d1Sigma+ 22 0 3 7932.3635 Q(22) : b1Pi v=1 22 f - d1Sigma+ v=2 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 d1Sigma+ 43 1 3 7932.7010 R(43) : b1Pi v=1 44 e - d1Sigma+ v=2 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 2 d1Sigma+ 11 1 3 7933.0036 P(11) : b1Pi v=1 10 e - d1Sigma+ v=2 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 2 d1Sigma+ 21 1 3 7933.7549 Q(21) : b1Pi v=1 21 f - d1Sigma+ v=2 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 2 d1Sigma+ 20 0 3 7935.0882 Q(20) : b1Pi v=1 20 f - d1Sigma+ v=2 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 d1Sigma+ 43 1 2 7935.7282 P(43) : b1Pi v=0 42 e - d1Sigma+ v=1 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 d1Sigma+ 41 1 3 7936.1104 R(41) : b1Pi v=1 42 e - d1Sigma+ v=2 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 2 d1Sigma+ 19 1 3 7936.3603 Q(19) : b1Pi v=1 19 f - d1Sigma+ v=2 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 2 d1Sigma+ 18 0 3 7937.5624 Q(18) : b1Pi v=1 18 f - d1Sigma+ v=2 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 d1Sigma+ 40 0 3 7937.7179 R(40) : b1Pi v=1 41 e - d1Sigma+ v=2 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 2 d1Sigma+ 17 1 3 7938.7006 Q(17) : b1Pi v=1 17 f - d1Sigma+ v=2 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 d1Sigma+ 39 1 3 7939.2641 R(39) : b1Pi v=1 40 e - d1Sigma+ v=2 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 2 d1Sigma+ 16 0 3 7939.7805 Q(16) : b1Pi v=1 16 f - d1Sigma+ v=2 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 d1Sigma+ 38 0 3 7940.7411 R(38) : b1Pi v=1 39 e - d1Sigma+ v=2 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 2 d1Sigma+ 15 1 3 7940.7951 Q(15) : b1Pi v=1 15 f - d1Sigma+ v=2 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 1 d1Sigma+ 55 1 2 7941.5993 Q(55) : b1Pi v=0 55 f - d1Sigma+ v=1 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 2 d1Sigma+ 14 0 3 7941.7462 Q(14) : b1Pi v=1 14 f - d1Sigma+ v=2 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 d1Sigma+ 37 1 3 7942.1555 R(37) : b1Pi v=1 38 e - d1Sigma+ v=2 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 2 d1Sigma+ 13 1 3 7942.6342 Q(13) : b1Pi v=1 13 f - d1Sigma+ v=2 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 d1Sigma+ 41 1 2 7943.2472 P(41) : b1Pi v=0 40 e - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 2 d1Sigma+ 12 0 3 7943.4582 Q(12) : b1Pi v=1 12 f - d1Sigma+ v=2 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 d1Sigma+ 36 0 3 7943.5068 R(36) : b1Pi v=1 37 e - d1Sigma+ v=2 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 2 d1Sigma+ 11 1 3 7944.2186 Q(11) : b1Pi v=1 11 f - d1Sigma+ v=2 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 d1Sigma+ 35 1 3 7944.7930 R(35) : b1Pi v=1 36 e - d1Sigma+ v=2 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 2 d1Sigma+ 10 0 3 7944.9163 Q(10) : b1Pi v=1 10 f - d1Sigma+ v=2 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 1 d1Sigma+ 54 0 2 7945.1413 Q(54) : b1Pi v=0 54 f - d1Sigma+ v=1 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 2 d1Sigma+ 9 1 3 7945.5496 Q(9) : b1Pi v=1 9 f - d1Sigma+ v=2 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 d1Sigma+ 34 0 3 7946.0131 R(34) : b1Pi v=1 35 e - d1Sigma+ v=2 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 2 d1Sigma+ 8 0 3 7946.1202 Q(8) : b1Pi v=1 8 f - d1Sigma+ v=2 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 2 d1Sigma+ 7 1 3 7946.6271 Q(7) : b1Pi v=1 7 f - d1Sigma+ v=2 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 d1Sigma+ 40 0 2 7946.9111 P(40) : b1Pi v=0 39 e - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 2 d1Sigma+ 6 0 3 7947.0708 Q(6) : b1Pi v=1 6 f - d1Sigma+ v=2 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 d1Sigma+ 33 1 3 7947.1752 R(33) : b1Pi v=1 34 e - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 2 d1Sigma+ 5 1 3 7947.4545 Q(5) : b1Pi v=1 5 f - d1Sigma+ v=2 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 2 d1Sigma+ 4 0 3 7947.7679 Q(4) : b1Pi v=1 4 f - d1Sigma+ v=2 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 1 d1Sigma+ 71 1 2 7948.1538 R(71) : b1Pi v=0 72 e - d1Sigma+ v=1 71 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 d1Sigma+ 32 0 3 7948.2680 R(32) : b1Pi v=1 33 e - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 1 d1Sigma+ 53 1 2 7948.6192 Q(53) : b1Pi v=0 53 f - d1Sigma+ v=1 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 d1Sigma+ 31 1 3 7949.2948 R(31) : b1Pi v=1 32 e - d1Sigma+ v=2 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 d1Sigma+ 30 0 3 7950.2606 R(30) : b1Pi v=1 31 e - d1Sigma+ v=2 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 d1Sigma+ 39 1 2 7950.5123 P(39) : b1Pi v=0 38 e - d1Sigma+ v=1 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 d1Sigma+ 29 1 3 7951.1606 R(29) : b1Pi v=1 30 e - d1Sigma+ v=2 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 d1Sigma+ 28 0 3 7951.9970 R(28) : b1Pi v=1 29 e - d1Sigma+ v=2 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 1 d1Sigma+ 52 0 2 7952.0282 Q(52) : b1Pi v=0 52 f - d1Sigma+ v=1 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 d1Sigma+ 27 1 3 7952.7700 R(27) : b1Pi v=1 28 e - d1Sigma+ v=2 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 2 d1Sigma+ 4 0 3 7952.8557 R(4) : b1Pi v=1 5 e - d1Sigma+ v=2 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 d1Sigma+ 38 0 2 7954.0487 P(38) : b1Pi v=0 37 e - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 d1Sigma+ 25 1 3 7954.1225 R(25) : b1Pi v=1 26 e - d1Sigma+ v=2 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 2 d1Sigma+ 6 0 3 7954.1901 R(6) : b1Pi v=1 7 e - d1Sigma+ v=2 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 d1Sigma+ 24 0 3 7954.7013 R(24) : b1Pi v=1 25 e - d1Sigma+ v=2 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 2 d1Sigma+ 7 1 3 7954.7640 R(7) : b1Pi v=1 8 e - d1Sigma+ v=2 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 2 d1Sigma+ 7 1 3 7954.7640 R(7) : b1Pi v=1 8 e - d1Sigma+ v=2 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 23 1 3 7955.2155 R(23) : b1Pi v=1 24 e - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 23 1 3 7955.2155 R(23) : b1Pi v=1 24 e - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 2 d1Sigma+ 8 0 3 7955.2700 R(8) : b1Pi v=1 9 e - d1Sigma+ v=2 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 2 d1Sigma+ 8 0 3 7955.2700 R(8) : b1Pi v=1 9 e - d1Sigma+ v=2 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 1 d1Sigma+ 51 1 2 7955.3809 Q(51) : b1Pi v=0 51 f - d1Sigma+ v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 d1Sigma+ 22 0 3 7955.6682 R(22) : b1Pi v=1 23 e - d1Sigma+ v=2 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 2 d1Sigma+ 9 1 3 7955.7159 R(9) : b1Pi v=1 10 e - d1Sigma+ v=2 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 21 1 3 7956.0577 R(21) : b1Pi v=1 22 e - d1Sigma+ v=2 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 2 d1Sigma+ 10 0 3 7956.0958 R(10) : b1Pi v=1 11 e - d1Sigma+ v=2 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 2 d1Sigma+ 20 0 3 7956.3808 R(20) : b1Pi v=1 21 e - d1Sigma+ v=2 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 2 d1Sigma+ 14 0 3 7956.9708 R(14) : b1Pi v=1 15 e - d1Sigma+ v=2 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 2 d1Sigma+ 17 1 3 7956.9708 R(17) : b1Pi v=1 18 e - d1Sigma+ v=2 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 2 d1Sigma+ 15 1 3 7957.0360 R(15) : b1Pi v=1 16 e - d1Sigma+ v=2 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 2 d1Sigma+ 16 0 3 7957.0360 R(16) : b1Pi v=1 17 e - d1Sigma+ v=2 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 1 d1Sigma+ 50 0 2 7958.6664 Q(50) : b1Pi v=0 50 f - d1Sigma+ v=1 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 d1Sigma+ 36 0 2 7960.9259 P(36) : b1Pi v=0 35 e - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 d1Sigma+ 49 1 2 7961.8854 Q(49) : b1Pi v=0 49 f - d1Sigma+ v=1 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 d1Sigma+ 67 1 2 7962.1901 R(67) : b1Pi v=0 68 e - d1Sigma+ v=1 67 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 d1Sigma+ 35 1 2 7964.2699 P(35) : b1Pi v=0 34 e - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 1 d1Sigma+ 48 0 2 7965.0412 Q(48) : b1Pi v=0 48 f - d1Sigma+ v=1 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 d1Sigma+ 34 0 2 7967.5502 P(34) : b1Pi v=0 33 e - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 1 d1Sigma+ 47 1 2 7968.1324 Q(47) : b1Pi v=0 47 f - d1Sigma+ v=1 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 1 d1Sigma+ 65 1 2 7968.8273 R(65) : b1Pi v=0 66 e - d1Sigma+ v=1 65 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 d1Sigma+ 33 1 2 7970.7651 P(33) : b1Pi v=0 32 e - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 1 d1Sigma+ 46 0 2 7971.1588 Q(46) : b1Pi v=0 46 f - d1Sigma+ v=1 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 1 d1Sigma+ 64 0 2 7972.0296 R(64) : b1Pi v=0 65 e - d1Sigma+ v=1 64 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 d1Sigma+ 32 0 2 7973.9157 P(32) : b1Pi v=0 31 e - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 1 d1Sigma+ 45 1 2 7974.1225 Q(45) : b1Pi v=0 45 f - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 1 d1Sigma+ 63 1 2 7975.1801 R(63) : b1Pi v=0 64 e - d1Sigma+ v=1 63 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 1 d1Sigma+ 44 0 2 7977.0133 Q(44) : b1Pi v=0 44 f - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 d1Sigma+ 62 0 2 7978.2629 R(62) : b1Pi v=0 63 e - d1Sigma+ v=1 62 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 d1Sigma+ 43 1 2 7979.8518 Q(43) : b1Pi v=0 43 f - d1Sigma+ v=1 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 d1Sigma+ 30 0 2 7980.0321 P(30) : b1Pi v=0 29 e - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 1 d1Sigma+ 61 1 2 7981.2702 R(61) : b1Pi v=0 62 e - d1Sigma+ v=1 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 1 d1Sigma+ 42 0 2 7982.6203 Q(42) : b1Pi v=0 42 f - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 d1Sigma+ 29 1 2 7982.9865 P(29) : b1Pi v=0 28 e - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 1 d1Sigma+ 60 0 2 7984.2334 R(60) : b1Pi v=0 61 e - d1Sigma+ v=1 60 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 1 d1Sigma+ 41 1 2 7985.3231 Q(41) : b1Pi v=0 41 f - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 1 d1Sigma+ 28 0 2 7985.8814 P(28) : b1Pi v=0 27 e - d1Sigma+ v=1 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 d1Sigma+ 59 1 2 7987.1196 R(59) : b1Pi v=0 60 e - d1Sigma+ v=1 59 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 1 d1Sigma+ 40 0 2 7987.9652 Q(40) : b1Pi v=0 40 f - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 d1Sigma+ 27 1 2 7988.7012 P(27) : b1Pi v=0 26 e - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 1 d1Sigma+ 58 0 2 7989.9405 R(58) : b1Pi v=0 59 e - d1Sigma+ v=1 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 d1Sigma+ 39 1 2 7990.5498 Q(39) : b1Pi v=0 39 f - d1Sigma+ v=1 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 d1Sigma+ 26 0 2 7991.4697 P(26) : b1Pi v=0 25 e - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 d1Sigma+ 57 1 2 7992.6976 R(57) : b1Pi v=0 58 e - d1Sigma+ v=1 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 1 d1Sigma+ 38 0 2 7993.0508 Q(38) : b1Pi v=0 38 f - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 d1Sigma+ 25 1 2 7994.1724 P(25) : b1Pi v=0 24 e - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 d1Sigma+ 56 0 2 7995.3862 R(56) : b1Pi v=0 57 e - d1Sigma+ v=1 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 1 d1Sigma+ 37 1 2 7995.4989 Q(37) : b1Pi v=0 37 f - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 d1Sigma+ 24 0 2 7996.8084 P(24) : b1Pi v=0 23 e - d1Sigma+ v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 1 d1Sigma+ 36 0 2 7997.8822 Q(36) : b1Pi v=0 36 f - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 d1Sigma+ 55 1 2 7998.0053 R(55) : b1Pi v=0 56 e - d1Sigma+ v=1 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 d1Sigma+ 23 1 2 7999.3828 P(23) : b1Pi v=0 22 e - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 1 d1Sigma+ 35 1 2 8000.1984 Q(35) : b1Pi v=0 35 f - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 d1Sigma+ 54 0 2 8000.5692 R(54) : b1Pi v=0 55 e - d1Sigma+ v=1 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 d1Sigma+ 22 0 2 8001.8913 P(22) : b1Pi v=0 21 e - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 d1Sigma+ 34 0 2 8002.4527 Q(34) : b1Pi v=0 34 f - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 1 d1Sigma+ 53 1 2 8003.0586 R(53) : b1Pi v=0 54 e - d1Sigma+ v=1 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 1 d1Sigma+ 21 1 2 8004.3340 P(21) : b1Pi v=0 20 e - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 d1Sigma+ 33 1 2 8004.6413 Q(33) : b1Pi v=0 33 f - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 d1Sigma+ 52 0 2 8005.4812 R(52) : b1Pi v=0 53 e - d1Sigma+ v=1 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 1 d1Sigma+ 20 0 2 8006.7111 P(20) : b1Pi v=0 19 e - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 d1Sigma+ 32 0 2 8006.7665 Q(32) : b1Pi v=0 32 f - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 1 d1Sigma+ 51 1 2 8007.8559 R(51) : b1Pi v=0 52 e - d1Sigma+ v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 d1Sigma+ 31 1 2 8008.8274 Q(31) : b1Pi v=0 31 f - d1Sigma+ v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 1 d1Sigma+ 19 1 2 8009.0287 P(19) : b1Pi v=0 18 e - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 d1Sigma+ 50 0 2 8010.1423 R(50) : b1Pi v=0 51 e - d1Sigma+ v=1 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 d1Sigma+ 30 0 2 8010.8235 Q(30) : b1Pi v=0 30 f - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 1 d1Sigma+ 18 0 2 8011.2780 P(18) : b1Pi v=0 17 e - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 d1Sigma+ 49 1 2 8012.3749 R(49) : b1Pi v=0 50 e - d1Sigma+ v=1 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 d1Sigma+ 29 1 2 8012.7524 Q(29) : b1Pi v=0 29 f - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 1 d1Sigma+ 17 1 2 8013.4680 P(17) : b1Pi v=0 16 e - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 d1Sigma+ 48 0 2 8014.5411 R(48) : b1Pi v=0 49 e - d1Sigma+ v=1 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 1 d1Sigma+ 28 0 2 8014.6202 Q(28) : b1Pi v=0 28 f - d1Sigma+ v=1 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 1 d1Sigma+ 16 0 2 8015.5904 P(16) : b1Pi v=0 15 e - d1Sigma+ v=1 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 1 d1Sigma+ 27 1 2 8016.4259 Q(27) : b1Pi v=0 27 f - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 d1Sigma+ 47 1 2 8016.6373 R(47) : b1Pi v=0 48 e - d1Sigma+ v=1 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 1 d1Sigma+ 15 1 2 8017.6371 P(15) : b1Pi v=0 14 e - d1Sigma+ v=1 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 1 d1Sigma+ 26 0 2 8018.1632 Q(26) : b1Pi v=0 26 f - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 d1Sigma+ 46 0 2 8018.6734 R(46) : b1Pi v=0 47 e - d1Sigma+ v=1 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 1 d1Sigma+ 14 0 2 8019.6367 P(14) : b1Pi v=0 13 e - d1Sigma+ v=1 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 1 d1Sigma+ 25 1 2 8019.8408 Q(25) : b1Pi v=0 25 f - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 d1Sigma+ 45 1 2 8020.6393 R(45) : b1Pi v=0 46 e - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 1 d1Sigma+ 24 0 2 8021.4427 Q(24) : b1Pi v=0 24 f - d1Sigma+ v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 1 d1Sigma+ 13 1 2 8021.5653 P(13) : b1Pi v=0 12 e - d1Sigma+ v=1 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 d1Sigma+ 44 0 2 8022.5454 R(44) : b1Pi v=0 45 e - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 1 d1Sigma+ 23 1 2 8022.9890 Q(23) : b1Pi v=0 23 f - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 1 d1Sigma+ 12 0 2 8023.4296 P(12) : b1Pi v=0 11 e - d1Sigma+ v=1 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 d1Sigma+ 43 1 2 8024.3827 R(43) : b1Pi v=0 44 e - d1Sigma+ v=1 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 1 d1Sigma+ 22 0 2 8024.4706 Q(22) : b1Pi v=0 22 f - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 1 d1Sigma+ 11 1 2 8025.2277 P(11) : b1Pi v=0 10 e - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 1 d1Sigma+ 21 1 2 8025.8878 Q(21) : b1Pi v=0 21 f - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 d1Sigma+ 42 0 2 8026.1566 R(42) : b1Pi v=0 43 e - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 1 d1Sigma+ 10 0 2 8026.9641 P(10) : b1Pi v=0 9 e - d1Sigma+ v=1 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 1 d1Sigma+ 20 0 2 8027.2381 Q(20) : b1Pi v=0 20 f - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 d1Sigma+ 41 1 2 8027.8639 R(41) : b1Pi v=0 42 e - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 1 d1Sigma+ 19 1 2 8028.5252 Q(19) : b1Pi v=0 19 f - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 1 d1Sigma+ 9 1 2 8028.6333 P(9) : b1Pi v=0 8 e - d1Sigma+ v=1 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 1 d1Sigma+ 40 0 2 8029.5062 R(40) : b1Pi v=0 41 e - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 1 d1Sigma+ 18 0 2 8029.7494 Q(18) : b1Pi v=0 18 f - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 1 d1Sigma+ 8 0 2 8030.2400 P(8) : b1Pi v=0 7 e - d1Sigma+ v=1 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 1 d1Sigma+ 17 1 2 8030.9075 Q(17) : b1Pi v=0 17 f - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 d1Sigma+ 39 1 2 8031.0812 R(39) : b1Pi v=0 40 e - d1Sigma+ v=1 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 0 1 d1Sigma+ 7 1 2 8031.7785 P(7) : b1Pi v=0 6 e - d1Sigma+ v=1 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 1 d1Sigma+ 16 0 2 8032.0029 Q(16) : b1Pi v=0 16 f - d1Sigma+ v=1 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 d1Sigma+ 38 0 2 8032.5927 R(38) : b1Pi v=0 39 e - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 1 d1Sigma+ 15 1 2 8033.0311 Q(15) : b1Pi v=0 15 f - d1Sigma+ v=1 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 d1Sigma+ 6 0 2 8033.2559 P(6) : b1Pi v=0 5 e - d1Sigma+ v=1 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 1 d1Sigma+ 14 0 2 8033.9995 Q(14) : b1Pi v=0 14 f - d1Sigma+ v=1 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 d1Sigma+ 37 1 2 8034.0374 R(37) : b1Pi v=0 38 e - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 1 d1Sigma+ 5 1 2 8034.6693 P(5) : b1Pi v=0 4 e - d1Sigma+ v=1 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 1 d1Sigma+ 13 1 2 8034.8984 Q(13) : b1Pi v=0 13 f - d1Sigma+ v=1 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 d1Sigma+ 36 0 2 8035.4220 R(36) : b1Pi v=0 37 e - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 1 d1Sigma+ 12 0 2 8035.7352 Q(12) : b1Pi v=0 12 f - d1Sigma+ v=1 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 1 1 d1Sigma+ 4 0 2 8036.0125 P(4) : b1Pi v=0 3 e - d1Sigma+ v=1 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 1 d1Sigma+ 11 1 2 8036.5087 Q(11) : b1Pi v=0 11 f - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 d1Sigma+ 35 1 2 8036.7368 R(35) : b1Pi v=0 36 e - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 1 d1Sigma+ 10 0 2 8037.2167 Q(10) : b1Pi v=0 10 f - d1Sigma+ v=1 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 1 d1Sigma+ 9 1 2 8037.8615 Q(9) : b1Pi v=0 9 f - d1Sigma+ v=1 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 d1Sigma+ 34 0 2 8037.9881 R(34) : b1Pi v=0 35 e - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 1 d1Sigma+ 8 0 2 8038.4398 Q(8) : b1Pi v=0 8 f - d1Sigma+ v=1 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 1 d1Sigma+ 7 1 2 8038.9549 Q(7) : b1Pi v=0 7 f - d1Sigma+ v=1 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 d1Sigma+ 33 1 2 8039.1739 R(33) : b1Pi v=0 34 e - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 1 d1Sigma+ 6 0 2 8039.4049 Q(6) : b1Pi v=0 6 f - d1Sigma+ v=1 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 d1Sigma+ 5 1 2 8039.7928 Q(5) : b1Pi v=0 5 f - d1Sigma+ v=1 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 1 d1Sigma+ 4 0 2 8040.1150 Q(4) : b1Pi v=0 4 f - d1Sigma+ v=1 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 d1Sigma+ 32 0 2 8040.2927 R(32) : b1Pi v=0 33 e - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 0 1 d1Sigma+ 3 1 2 8040.3707 Q(3) : b1Pi v=0 3 f - d1Sigma+ v=1 3 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 d1Sigma+ 31 1 2 8041.3468 R(31) : b1Pi v=0 32 e - d1Sigma+ v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 d1Sigma+ 30 0 2 8042.3374 R(30) : b1Pi v=0 31 e - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 d1Sigma+ 29 1 2 8043.2604 R(29) : b1Pi v=0 30 e - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 d1Sigma+ 28 0 2 8044.1208 R(28) : b1Pi v=0 29 e - d1Sigma+ v=1 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 d1Sigma+ 27 1 2 8044.9153 R(27) : b1Pi v=0 28 e - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 d1Sigma+ 4 0 2 8045.2251 R(4) : b1Pi v=0 5 e - d1Sigma+ v=1 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 1 d1Sigma+ 26 0 2 8045.6510 R(26) : b1Pi v=0 27 e - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 0 1 d1Sigma+ 5 1 2 8045.9281 R(5) : b1Pi v=0 6 e - d1Sigma+ v=1 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 d1Sigma+ 25 1 2 8046.3022 R(25) : b1Pi v=0 26 e - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 1 d1Sigma+ 6 0 2 8046.5676 R(6) : b1Pi v=0 7 e - d1Sigma+ v=1 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 d1Sigma+ 24 0 2 8046.9039 R(24) : b1Pi v=0 25 e - d1Sigma+ v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 1 d1Sigma+ 7 1 2 8047.1348 R(7) : b1Pi v=0 8 e - d1Sigma+ v=1 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 d1Sigma+ 23 1 2 8047.4367 R(23) : b1Pi v=0 24 e - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 1 d1Sigma+ 8 0 2 8047.6410 R(8) : b1Pi v=0 9 e - d1Sigma+ v=1 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 d1Sigma+ 22 0 2 8047.9075 R(22) : b1Pi v=0 23 e - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 1 d1Sigma+ 9 1 2 8048.0818 R(9) : b1Pi v=0 10 e - d1Sigma+ v=1 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 d1Sigma+ 21 1 2 8048.3111 R(21) : b1Pi v=0 22 e - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 1 d1Sigma+ 10 0 2 8048.4569 R(10) : b1Pi v=0 11 e - d1Sigma+ v=1 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 d1Sigma+ 20 0 2 8048.6483 R(20) : b1Pi v=0 21 e - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 1 d1Sigma+ 11 1 2 8048.7696 R(11) : b1Pi v=0 12 e - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 1 d1Sigma+ 19 1 2 8048.9223 R(19) : b1Pi v=0 20 e - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 1 d1Sigma+ 12 0 2 8049.0135 R(12) : b1Pi v=0 13 e - d1Sigma+ v=1 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 1 d1Sigma+ 18 0 2 8049.1301 R(18) : b1Pi v=0 19 e - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 1 d1Sigma+ 13 1 2 8049.1983 R(13) : b1Pi v=0 14 e - d1Sigma+ v=1 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 1 d1Sigma+ 17 1 2 8049.2718 R(17) : b1Pi v=0 18 e - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 1 d1Sigma+ 14 0 2 8049.3121 R(14) : b1Pi v=0 15 e - d1Sigma+ v=1 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 1 1 d1Sigma+ 82 0 1 8728.3398 P(82) : b1Pi v=0 81 e - d1Sigma+ v=0 82 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 0 1 d1Sigma+ 81 1 1 8735.1716 P(81) : b1Pi v=0 80 e - d1Sigma+ v=0 81 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 2 d1Sigma+ 65 1 2 8735.2449 P(65) : b1Pi v=1 64 e - d1Sigma+ v=1 65 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 0 1 d1Sigma+ 79 1 1 8748.6324 P(79) : b1Pi v=0 78 e - d1Sigma+ v=0 79 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 92 1 1 d1Sigma+ 92 0 1 8749.5754 Q(92) : b1Pi v=0 92 f - d1Sigma+ v=0 92 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 1 1 d1Sigma+ 74 0 1 8781.0487 P(74) : b1Pi v=0 73 e - d1Sigma+ v=0 74 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 87 0 1 d1Sigma+ 87 1 1 8781.6297 Q(87) : b1Pi v=0 87 f - d1Sigma+ v=0 87 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 1 d1Sigma+ 73 1 1 8787.3178 P(73) : b1Pi v=0 72 e - d1Sigma+ v=0 73 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 86 1 1 d1Sigma+ 86 0 1 8787.8260 Q(86) : b1Pi v=0 86 f - d1Sigma+ v=0 86 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 1 1 d1Sigma+ 72 0 1 8793.5193 P(72) : b1Pi v=0 71 e - d1Sigma+ v=0 72 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 85 0 1 d1Sigma+ 85 1 1 8793.9524 Q(85) : b1Pi v=0 85 f - d1Sigma+ v=0 85 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 1 d1Sigma+ 71 1 1 8799.6490 P(71) : b1Pi v=0 70 e - d1Sigma+ v=0 71 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 1 1 d1Sigma+ 84 0 1 8800.0055 Q(84) : b1Pi v=0 84 f - d1Sigma+ v=0 84 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 1 1 d1Sigma+ 70 0 1 8805.7076 P(70) : b1Pi v=0 69 e - d1Sigma+ v=0 70 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 d1Sigma+ 69 1 1 8811.6999 P(69) : b1Pi v=0 68 e - d1Sigma+ v=0 69 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 82 1 1 d1Sigma+ 82 0 1 8811.9014 Q(82) : b1Pi v=0 82 f - d1Sigma+ v=0 82 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 1 d1Sigma+ 68 0 1 8817.6177 P(68) : b1Pi v=0 67 e - d1Sigma+ v=0 68 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 1 d1Sigma+ 81 1 1 8817.7378 Q(81) : b1Pi v=0 81 f - d1Sigma+ v=0 81 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 d1Sigma+ 48 0 2 8820.4614 P(48) : b1Pi v=1 47 e - d1Sigma+ v=1 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 d1Sigma+ 47 1 2 8824.8515 P(47) : b1Pi v=1 46 e - d1Sigma+ v=1 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 2 d1Sigma+ 58 0 2 8831.8405 Q(58) : b1Pi v=1 58 f - d1Sigma+ v=1 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 d1Sigma+ 45 1 2 8833.4051 P(45) : b1Pi v=1 44 e - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 1 1 d1Sigma+ 78 0 1 8834.8302 Q(78) : b1Pi v=0 78 f - d1Sigma+ v=0 78 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 1 d1Sigma+ 65 1 1 8834.9523 P(65) : b1Pi v=0 64 e - d1Sigma+ v=0 65 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 d1Sigma+ 57 1 2 8835.9143 Q(57) : b1Pi v=1 57 f - d1Sigma+ v=1 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 d1Sigma+ 44 0 2 8837.5844 P(44) : b1Pi v=1 43 e - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 0 1 d1Sigma+ 77 1 1 8840.3836 Q(77) : b1Pi v=0 77 f - d1Sigma+ v=0 77 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 d1Sigma+ 64 0 1 8840.5886 P(64) : b1Pi v=0 63 e - d1Sigma+ v=0 64 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 d1Sigma+ 55 1 2 8843.8520 Q(55) : b1Pi v=1 55 f - d1Sigma+ v=1 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 d1Sigma+ 42 0 2 8845.7214 P(42) : b1Pi v=1 41 e - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 1 1 d1Sigma+ 76 0 1 8845.8638 Q(76) : b1Pi v=0 76 f - d1Sigma+ v=0 76 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 1 d1Sigma+ 63 1 1 8846.1561 P(63) : b1Pi v=0 62 e - d1Sigma+ v=0 63 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 2 d1Sigma+ 54 0 2 8847.7161 Q(54) : b1Pi v=1 54 f - d1Sigma+ v=1 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 d1Sigma+ 41 1 2 8849.6859 P(41) : b1Pi v=1 40 e - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 1 d1Sigma+ 75 1 1 8851.2761 Q(75) : b1Pi v=0 75 f - d1Sigma+ v=0 75 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 1 d1Sigma+ 62 0 1 8851.6520 P(62) : b1Pi v=0 61 e - d1Sigma+ v=0 62 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 d1Sigma+ 40 0 2 8853.5849 P(40) : b1Pi v=1 39 e - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 d1Sigma+ 52 0 2 8855.2242 Q(52) : b1Pi v=1 52 f - d1Sigma+ v=1 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 1 d1Sigma+ 74 0 1 8856.6140 Q(74) : b1Pi v=0 74 f - d1Sigma+ v=0 74 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 d1Sigma+ 61 1 1 8857.0775 P(61) : b1Pi v=0 60 e - d1Sigma+ v=0 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 d1Sigma+ 51 1 2 8858.8783 Q(51) : b1Pi v=1 51 f - d1Sigma+ v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 1 d1Sigma+ 73 1 1 8861.8836 Q(73) : b1Pi v=0 73 f - d1Sigma+ v=0 73 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 1 d1Sigma+ 60 0 1 8862.4396 P(60) : b1Pi v=0 59 e - d1Sigma+ v=0 60 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 d1Sigma+ 37 1 2 8864.8481 P(37) : b1Pi v=1 36 e - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 1 d1Sigma+ 72 0 1 8867.0804 Q(72) : b1Pi v=0 72 f - d1Sigma+ v=0 72 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 d1Sigma+ 59 1 1 8867.7174 P(59) : b1Pi v=0 58 e - d1Sigma+ v=0 59 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 d1Sigma+ 36 0 2 8868.4626 P(36) : b1Pi v=1 35 e - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 d1Sigma+ 48 0 2 8869.4043 Q(48) : b1Pi v=1 48 f - d1Sigma+ v=1 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 d1Sigma+ 35 1 2 8872.0102 P(35) : b1Pi v=1 34 e - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 1 d1Sigma+ 71 1 1 8872.2075 Q(71) : b1Pi v=0 71 f - d1Sigma+ v=0 71 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 d1Sigma+ 47 1 2 8872.7775 Q(47) : b1Pi v=1 47 f - d1Sigma+ v=1 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 d1Sigma+ 58 0 1 8872.9308 P(58) : b1Pi v=0 57 e - d1Sigma+ v=0 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 d1Sigma+ 34 0 2 8875.4820 P(34) : b1Pi v=1 33 e - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 2 d1Sigma+ 46 0 2 8876.0778 Q(46) : b1Pi v=1 46 f - d1Sigma+ v=1 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 1 d1Sigma+ 70 0 1 8877.2603 Q(70) : b1Pi v=0 70 f - d1Sigma+ v=0 70 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 d1Sigma+ 57 1 1 8878.0734 P(57) : b1Pi v=0 56 e - d1Sigma+ v=0 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 d1Sigma+ 33 1 2 8878.8925 P(33) : b1Pi v=1 32 e - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 d1Sigma+ 45 1 2 8879.3081 Q(45) : b1Pi v=1 45 f - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 1 d1Sigma+ 69 1 1 8882.2397 Q(69) : b1Pi v=0 69 f - d1Sigma+ v=0 69 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 2 d1Sigma+ 44 0 2 8882.4642 Q(44) : b1Pi v=1 44 f - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 d1Sigma+ 56 0 1 8883.1447 P(56) : b1Pi v=0 55 e - d1Sigma+ v=0 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 1 d1Sigma+ 68 0 1 8887.1573 Q(68) : b1Pi v=0 68 f - d1Sigma+ v=0 68 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 1 d1Sigma+ 55 1 1 8888.1472 P(55) : b1Pi v=0 54 e - d1Sigma+ v=0 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 d1Sigma+ 42 0 2 8888.5684 Q(42) : b1Pi v=1 42 f - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 d1Sigma+ 30 0 2 8888.6846 P(30) : b1Pi v=1 29 e - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 d1Sigma+ 41 1 2 8891.5193 Q(41) : b1Pi v=1 41 f - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 d1Sigma+ 29 1 2 8891.8101 P(29) : b1Pi v=1 28 e - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 1 d1Sigma+ 67 1 1 8891.9968 Q(67) : b1Pi v=0 67 f - d1Sigma+ v=0 67 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 d1Sigma+ 54 0 1 8893.0781 P(54) : b1Pi v=0 53 e - d1Sigma+ v=0 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 d1Sigma+ 40 0 2 8894.3977 Q(40) : b1Pi v=1 40 f - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 1 d1Sigma+ 66 0 1 8896.7660 Q(66) : b1Pi v=0 66 f - d1Sigma+ v=0 66 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 d1Sigma+ 39 1 2 8897.2040 Q(39) : b1Pi v=1 39 f - d1Sigma+ v=1 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 d1Sigma+ 27 1 2 8897.8540 P(27) : b1Pi v=1 26 e - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 1 d1Sigma+ 53 1 1 8897.9371 P(53) : b1Pi v=0 52 e - d1Sigma+ v=0 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 d1Sigma+ 38 0 2 8899.9402 Q(38) : b1Pi v=1 38 f - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 d1Sigma+ 26 0 2 8900.7624 P(26) : b1Pi v=1 25 e - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 d1Sigma+ 37 1 2 8902.6082 Q(37) : b1Pi v=1 37 f - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 d1Sigma+ 52 0 1 8902.7274 P(52) : b1Pi v=0 51 e - d1Sigma+ v=0 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 25 1 2 8903.6122 P(25) : b1Pi v=1 24 e - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 d1Sigma+ 36 0 2 8905.1997 Q(36) : b1Pi v=1 36 f - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 1 d1Sigma+ 64 0 1 8906.0874 Q(64) : b1Pi v=0 64 f - d1Sigma+ v=0 64 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 d1Sigma+ 51 1 1 8907.4462 P(51) : b1Pi v=0 50 e - d1Sigma+ v=0 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 d1Sigma+ 35 1 2 8907.7303 Q(35) : b1Pi v=1 35 f - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 23 1 2 8909.0913 P(23) : b1Pi v=1 22 e - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 d1Sigma+ 34 0 2 8910.1860 Q(34) : b1Pi v=1 34 f - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 1 d1Sigma+ 63 1 1 8910.6444 Q(63) : b1Pi v=0 63 f - d1Sigma+ v=0 63 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 d1Sigma+ 51 1 2 8911.0557 R(51) : b1Pi v=1 52 e - d1Sigma+ v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 2 d1Sigma+ 22 0 2 8911.7259 P(22) : b1Pi v=1 21 e - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 d1Sigma+ 50 0 1 8912.0946 P(50) : b1Pi v=0 49 e - d1Sigma+ v=0 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 d1Sigma+ 33 1 2 8912.5710 Q(33) : b1Pi v=1 33 f - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 d1Sigma+ 32 0 2 8914.8858 Q(32) : b1Pi v=1 32 f - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 1 d1Sigma+ 62 0 1 8915.1280 Q(62) : b1Pi v=0 62 f - d1Sigma+ v=0 62 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 d1Sigma+ 49 1 1 8916.6721 P(49) : b1Pi v=0 48 e - d1Sigma+ v=0 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 2 d1Sigma+ 20 0 2 8916.7907 P(20) : b1Pi v=1 19 e - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 d1Sigma+ 31 1 2 8917.1303 Q(31) : b1Pi v=1 31 f - d1Sigma+ v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 2 d1Sigma+ 19 1 2 8919.2142 P(19) : b1Pi v=1 18 e - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 2 d1Sigma+ 30 0 2 8919.3054 Q(30) : b1Pi v=1 30 f - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 1 d1Sigma+ 61 1 1 8919.5400 Q(61) : b1Pi v=0 61 f - d1Sigma+ v=0 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 d1Sigma+ 48 0 1 8921.1795 P(48) : b1Pi v=0 47 e - d1Sigma+ v=0 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 d1Sigma+ 29 1 2 8921.4114 Q(29) : b1Pi v=1 29 f - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 2 d1Sigma+ 18 0 2 8921.5681 P(18) : b1Pi v=1 17 e - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 d1Sigma+ 28 0 2 8923.4444 Q(28) : b1Pi v=1 28 f - d1Sigma+ v=1 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 1 d1Sigma+ 60 0 1 8923.8813 Q(60) : b1Pi v=0 60 f - d1Sigma+ v=0 60 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 d1Sigma+ 27 1 2 8925.4093 Q(27) : b1Pi v=1 27 f - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 d1Sigma+ 47 1 1 8925.6147 P(47) : b1Pi v=0 46 e - d1Sigma+ v=0 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 d1Sigma+ 26 0 2 8927.3052 Q(26) : b1Pi v=1 26 f - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 1 d1Sigma+ 59 1 1 8928.1514 Q(59) : b1Pi v=0 59 f - d1Sigma+ v=0 59 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 d1Sigma+ 25 1 2 8929.1276 Q(25) : b1Pi v=1 25 f - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 d1Sigma+ 43 1 2 8929.8390 R(43) : b1Pi v=1 44 e - d1Sigma+ v=1 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 d1Sigma+ 46 0 1 8929.9795 P(46) : b1Pi v=0 45 e - d1Sigma+ v=0 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 d1Sigma+ 24 0 2 8930.8862 Q(24) : b1Pi v=1 24 f - d1Sigma+ v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 d1Sigma+ 42 0 2 8931.8663 R(42) : b1Pi v=1 43 e - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 2 d1Sigma+ 13 1 2 8932.2795 P(13) : b1Pi v=1 12 e - d1Sigma+ v=1 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 d1Sigma+ 58 0 1 8932.3500 Q(58) : b1Pi v=0 58 f - d1Sigma+ v=0 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 d1Sigma+ 23 1 2 8932.5673 Q(23) : b1Pi v=1 23 f - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 d1Sigma+ 41 1 2 8933.8241 R(41) : b1Pi v=1 42 e - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 2 d1Sigma+ 22 0 2 8934.1773 Q(22) : b1Pi v=1 22 f - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 d1Sigma+ 45 1 1 8934.2697 P(45) : b1Pi v=0 44 e - d1Sigma+ v=0 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 2 d1Sigma+ 21 1 2 8935.7175 Q(21) : b1Pi v=1 21 f - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 2 d1Sigma+ 11 1 2 8936.0804 P(11) : b1Pi v=1 10 e - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 1 d1Sigma+ 57 1 1 8936.4771 Q(57) : b1Pi v=0 57 f - d1Sigma+ v=0 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 2 d1Sigma+ 20 0 2 8937.1936 Q(20) : b1Pi v=1 20 f - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 d1Sigma+ 44 0 1 8938.4967 P(44) : b1Pi v=0 43 e - d1Sigma+ v=0 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 d1Sigma+ 38 0 2 8939.2626 R(38) : b1Pi v=1 39 e - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 2 d1Sigma+ 18 0 2 8939.9332 Q(18) : b1Pi v=1 18 f - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 1 d1Sigma+ 56 0 1 8940.5331 Q(56) : b1Pi v=0 56 f - d1Sigma+ v=0 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 d1Sigma+ 37 1 2 8940.9367 R(37) : b1Pi v=1 38 e - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 2 d1Sigma+ 17 1 2 8941.1931 Q(17) : b1Pi v=1 17 f - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 2 d1Sigma+ 16 0 2 8942.3817 Q(16) : b1Pi v=1 16 f - d1Sigma+ v=1 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 d1Sigma+ 36 0 2 8942.5365 R(36) : b1Pi v=1 37 e - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 d1Sigma+ 43 1 1 8942.6496 P(43) : b1Pi v=0 42 e - d1Sigma+ v=0 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 2 d1Sigma+ 15 1 2 8943.5081 Q(15) : b1Pi v=1 15 f - d1Sigma+ v=1 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 d1Sigma+ 35 1 2 8944.0688 R(35) : b1Pi v=1 36 e - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 1 d1Sigma+ 71 1 1 8944.1967 R(71) : b1Pi v=0 72 e - d1Sigma+ v=0 71 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 1 d1Sigma+ 55 1 1 8944.5178 Q(55) : b1Pi v=0 55 f - d1Sigma+ v=0 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 2 d1Sigma+ 12 0 2 8946.4537 Q(12) : b1Pi v=1 12 f - d1Sigma+ v=1 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 1 d1Sigma+ 42 0 1 8946.7319 P(42) : b1Pi v=0 41 e - d1Sigma+ v=0 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 d1Sigma+ 33 1 2 8946.9108 R(33) : b1Pi v=1 34 e - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 2 d1Sigma+ 11 1 2 8947.2940 Q(11) : b1Pi v=1 11 f - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 2 d1Sigma+ 10 0 2 8948.0692 Q(10) : b1Pi v=1 10 f - d1Sigma+ v=1 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 d1Sigma+ 32 0 2 8948.2274 R(32) : b1Pi v=1 33 e - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 1 d1Sigma+ 54 0 1 8948.4314 Q(54) : b1Pi v=0 54 f - d1Sigma+ v=0 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 2 d1Sigma+ 9 1 2 8948.7665 Q(9) : b1Pi v=1 9 f - d1Sigma+ v=1 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 2 d1Sigma+ 7 1 2 8949.9611 Q(7) : b1Pi v=1 7 f - d1Sigma+ v=1 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 2 d1Sigma+ 6 0 2 8950.4520 Q(6) : b1Pi v=1 6 f - d1Sigma+ v=1 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 d1Sigma+ 30 0 2 8950.6472 R(30) : b1Pi v=1 31 e - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 d1Sigma+ 41 1 1 8950.7420 P(41) : b1Pi v=0 40 e - d1Sigma+ v=0 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 d1Sigma+ 29 1 2 8951.7501 R(29) : b1Pi v=1 30 e - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 1 d1Sigma+ 53 1 1 8952.2739 Q(53) : b1Pi v=0 53 f - d1Sigma+ v=0 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 d1Sigma+ 28 0 2 8952.7837 R(28) : b1Pi v=1 29 e - d1Sigma+ v=1 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 d1Sigma+ 27 1 2 8953.7453 R(27) : b1Pi v=1 28 e - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 d1Sigma+ 40 0 1 8954.6818 P(40) : b1Pi v=0 39 e - d1Sigma+ v=0 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 d1Sigma+ 25 1 2 8955.4539 R(25) : b1Pi v=1 26 e - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 1 d1Sigma+ 52 0 1 8956.0440 Q(52) : b1Pi v=0 52 f - d1Sigma+ v=0 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 23 1 2 8956.8785 R(23) : b1Pi v=1 24 e - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 d1Sigma+ 22 0 2 8957.4843 R(22) : b1Pi v=1 23 e - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 21 1 2 8958.0203 R(21) : b1Pi v=1 22 e - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 2 d1Sigma+ 7 1 2 8958.0919 R(7) : b1Pi v=1 8 e - d1Sigma+ v=1 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 2 d1Sigma+ 20 0 2 8958.4840 R(20) : b1Pi v=1 21 e - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 d1Sigma+ 39 1 1 8958.5519 P(39) : b1Pi v=0 38 e - d1Sigma+ v=0 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 1 d1Sigma+ 51 1 1 8959.7450 Q(51) : b1Pi v=0 51 f - d1Sigma+ v=0 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 d1Sigma+ 67 1 1 8960.1237 R(67) : b1Pi v=0 68 e - d1Sigma+ v=0 67 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 d1Sigma+ 38 0 1 8962.3515 P(38) : b1Pi v=0 37 e - d1Sigma+ v=0 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 1 d1Sigma+ 50 0 1 8963.3716 Q(50) : b1Pi v=0 50 f - d1Sigma+ v=0 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 1 d1Sigma+ 66 0 1 8963.9204 R(66) : b1Pi v=0 67 e - d1Sigma+ v=0 66 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 d1Sigma+ 37 1 1 8966.0787 P(37) : b1Pi v=0 36 e - d1Sigma+ v=0 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 d1Sigma+ 49 1 1 8966.9284 Q(49) : b1Pi v=0 49 f - d1Sigma+ v=0 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 1 d1Sigma+ 65 1 1 8967.6472 R(65) : b1Pi v=0 66 e - d1Sigma+ v=0 65 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 d1Sigma+ 36 0 1 8969.7347 P(36) : b1Pi v=0 35 e - d1Sigma+ v=0 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 1 d1Sigma+ 48 0 1 8970.4148 Q(48) : b1Pi v=0 48 f - d1Sigma+ v=0 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 1 d1Sigma+ 64 0 1 8971.2974 R(64) : b1Pi v=0 65 e - d1Sigma+ v=0 64 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 d1Sigma+ 35 1 1 8973.3206 P(35) : b1Pi v=0 34 e - d1Sigma+ v=0 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 1 d1Sigma+ 47 1 1 8973.8291 Q(47) : b1Pi v=0 47 f - d1Sigma+ v=0 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 1 d1Sigma+ 63 1 1 8974.8817 R(63) : b1Pi v=0 64 e - d1Sigma+ v=0 63 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 d1Sigma+ 34 0 1 8976.8348 P(34) : b1Pi v=0 33 e - d1Sigma+ v=0 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 1 d1Sigma+ 46 0 1 8977.1727 Q(46) : b1Pi v=0 46 f - d1Sigma+ v=0 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 d1Sigma+ 62 0 1 8978.3921 R(62) : b1Pi v=0 63 e - d1Sigma+ v=0 62 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 d1Sigma+ 33 1 1 8980.2787 P(33) : b1Pi v=0 32 e - d1Sigma+ v=0 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 1 d1Sigma+ 45 1 1 8980.4444 Q(45) : b1Pi v=0 45 f - d1Sigma+ v=0 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 1 d1Sigma+ 61 1 1 8981.8271 R(61) : b1Pi v=0 62 e - d1Sigma+ v=0 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 d1Sigma+ 32 0 1 8983.6477 P(32) : b1Pi v=0 31 e - d1Sigma+ v=0 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 1 d1Sigma+ 44 0 1 8983.6477 Q(44) : b1Pi v=0 44 f - d1Sigma+ v=0 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 d1Sigma+ 43 1 1 8986.7751 Q(43) : b1Pi v=0 43 f - d1Sigma+ v=0 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 d1Sigma+ 31 1 1 8986.9537 P(31) : b1Pi v=0 30 e - d1Sigma+ v=0 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 d1Sigma+ 59 1 1 8988.4836 R(59) : b1Pi v=0 60 e - d1Sigma+ v=0 59 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 1 d1Sigma+ 42 0 1 8989.8339 Q(42) : b1Pi v=0 42 f - d1Sigma+ v=0 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 d1Sigma+ 30 0 1 8990.1850 P(30) : b1Pi v=0 29 e - d1Sigma+ v=0 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 1 d1Sigma+ 58 0 1 8991.7031 R(58) : b1Pi v=0 59 e - d1Sigma+ v=0 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 1 d1Sigma+ 41 1 1 8992.8206 Q(41) : b1Pi v=0 41 f - d1Sigma+ v=0 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 d1Sigma+ 29 1 1 8993.3452 P(29) : b1Pi v=0 28 e - d1Sigma+ v=0 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 d1Sigma+ 57 1 1 8994.8491 R(57) : b1Pi v=0 58 e - d1Sigma+ v=0 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 1 d1Sigma+ 40 0 1 8995.7370 Q(40) : b1Pi v=0 40 f - d1Sigma+ v=0 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 1 d1Sigma+ 28 0 1 8996.4369 P(28) : b1Pi v=0 27 e - d1Sigma+ v=0 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 d1Sigma+ 56 0 1 8997.9232 R(56) : b1Pi v=0 57 e - d1Sigma+ v=0 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 d1Sigma+ 39 1 1 8998.5818 Q(39) : b1Pi v=0 39 f - d1Sigma+ v=0 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 d1Sigma+ 27 1 1 8999.4467 P(27) : b1Pi v=0 26 e - d1Sigma+ v=0 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 d1Sigma+ 55 1 1 9000.9202 R(55) : b1Pi v=0 56 e - d1Sigma+ v=0 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 1 d1Sigma+ 38 0 1 9001.3554 Q(38) : b1Pi v=0 38 f - d1Sigma+ v=0 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 d1Sigma+ 26 0 1 9002.3964 P(26) : b1Pi v=0 25 e - d1Sigma+ v=0 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 d1Sigma+ 54 0 1 9003.8555 R(54) : b1Pi v=0 55 e - d1Sigma+ v=0 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 1 d1Sigma+ 37 1 1 9004.0574 Q(37) : b1Pi v=0 37 f - d1Sigma+ v=0 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 d1Sigma+ 25 1 1 9005.2736 P(25) : b1Pi v=0 24 e - d1Sigma+ v=0 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 d1Sigma+ 24 0 1 9008.0780 P(24) : b1Pi v=0 23 e - d1Sigma+ v=0 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 d1Sigma+ 52 0 1 9009.4958 R(52) : b1Pi v=0 53 e - d1Sigma+ v=0 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 d1Sigma+ 23 1 1 9010.8142 P(23) : b1Pi v=0 22 e - d1Sigma+ v=0 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 d1Sigma+ 34 0 1 9011.7381 Q(34) : b1Pi v=0 34 f - d1Sigma+ v=0 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 1 d1Sigma+ 51 1 1 9012.2099 R(51) : b1Pi v=0 52 e - d1Sigma+ v=0 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 d1Sigma+ 22 0 1 9013.4738 P(22) : b1Pi v=0 21 e - d1Sigma+ v=0 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 d1Sigma+ 33 1 1 9014.1558 Q(33) : b1Pi v=0 33 f - d1Sigma+ v=0 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 d1Sigma+ 50 0 1 9014.8521 R(50) : b1Pi v=0 51 e - d1Sigma+ v=0 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 1 d1Sigma+ 21 1 1 9016.0660 P(21) : b1Pi v=0 20 e - d1Sigma+ v=0 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 d1Sigma+ 32 0 1 9016.5024 Q(32) : b1Pi v=0 32 f - d1Sigma+ v=0 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 d1Sigma+ 49 1 1 9017.4165 R(49) : b1Pi v=0 50 e - d1Sigma+ v=0 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 1 d1Sigma+ 20 0 1 9018.5857 P(20) : b1Pi v=0 19 e - d1Sigma+ v=0 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 d1Sigma+ 31 1 1 9018.7780 Q(31) : b1Pi v=0 31 f - d1Sigma+ v=0 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 d1Sigma+ 48 0 1 9019.9122 R(48) : b1Pi v=0 49 e - d1Sigma+ v=0 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 d1Sigma+ 30 0 1 9020.9827 Q(30) : b1Pi v=0 30 f - d1Sigma+ v=0 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 1 d1Sigma+ 19 1 1 9021.0322 P(19) : b1Pi v=0 18 e - d1Sigma+ v=0 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 d1Sigma+ 47 1 1 9022.3361 R(47) : b1Pi v=0 48 e - d1Sigma+ v=0 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 d1Sigma+ 29 1 1 9023.1151 Q(29) : b1Pi v=0 29 f - d1Sigma+ v=0 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 1 d1Sigma+ 18 0 1 9023.4153 P(18) : b1Pi v=0 17 e - d1Sigma+ v=0 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 d1Sigma+ 46 0 1 9024.6874 R(46) : b1Pi v=0 47 e - d1Sigma+ v=0 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 1 d1Sigma+ 28 0 1 9025.1772 Q(28) : b1Pi v=0 28 f - d1Sigma+ v=0 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 1 d1Sigma+ 17 1 1 9025.7199 P(17) : b1Pi v=0 16 e - d1Sigma+ v=0 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 d1Sigma+ 45 1 1 9026.9657 R(45) : b1Pi v=0 46 e - d1Sigma+ v=0 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 1 d1Sigma+ 27 1 1 9027.1685 Q(27) : b1Pi v=0 27 f - d1Sigma+ v=0 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 1 d1Sigma+ 16 0 1 9027.9560 P(16) : b1Pi v=0 15 e - d1Sigma+ v=0 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 1 d1Sigma+ 26 0 1 9029.0888 Q(26) : b1Pi v=0 26 f - d1Sigma+ v=0 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 d1Sigma+ 44 0 1 9029.1728 R(44) : b1Pi v=0 45 e - d1Sigma+ v=0 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 1 d1Sigma+ 15 1 1 9030.1191 P(15) : b1Pi v=0 14 e - d1Sigma+ v=0 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 1 d1Sigma+ 25 1 1 9030.9397 Q(25) : b1Pi v=0 25 f - d1Sigma+ v=0 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 d1Sigma+ 43 1 1 9031.3066 R(43) : b1Pi v=0 44 e - d1Sigma+ v=0 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 1 d1Sigma+ 14 0 1 9032.2137 P(14) : b1Pi v=0 13 e - d1Sigma+ v=0 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 1 d1Sigma+ 24 0 1 9032.7114 Q(24) : b1Pi v=0 24 f - d1Sigma+ v=0 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 d1Sigma+ 42 0 1 9033.3691 R(42) : b1Pi v=0 43 e - d1Sigma+ v=0 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 1 d1Sigma+ 13 1 1 9034.2367 P(13) : b1Pi v=0 12 e - d1Sigma+ v=0 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 1 d1Sigma+ 23 1 1 9034.4190 Q(23) : b1Pi v=0 23 f - d1Sigma+ v=0 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 d1Sigma+ 41 1 1 9035.3598 R(41) : b1Pi v=0 42 e - d1Sigma+ v=0 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 1 d1Sigma+ 22 0 1 9036.0545 Q(22) : b1Pi v=0 22 f - d1Sigma+ v=0 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 1 d1Sigma+ 12 0 1 9036.1877 P(12) : b1Pi v=0 11 e - d1Sigma+ v=0 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 1 d1Sigma+ 40 0 1 9037.2784 R(40) : b1Pi v=0 41 e - d1Sigma+ v=0 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 1 d1Sigma+ 21 1 1 9037.6188 Q(21) : b1Pi v=0 21 f - d1Sigma+ v=0 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 1 d1Sigma+ 11 1 1 9038.0708 P(11) : b1Pi v=0 10 e - d1Sigma+ v=0 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 1 d1Sigma+ 20 0 1 9039.1156 Q(20) : b1Pi v=0 20 f - d1Sigma+ v=0 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 1 d1Sigma+ 10 0 1 9039.8756 P(10) : b1Pi v=0 9 e - d1Sigma+ v=0 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 1 d1Sigma+ 19 1 1 9040.5336 Q(19) : b1Pi v=0 19 f - d1Sigma+ v=0 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 d1Sigma+ 38 0 1 9040.8979 R(38) : b1Pi v=0 39 e - d1Sigma+ v=0 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 1 d1Sigma+ 9 1 1 9041.6137 P(9) : b1Pi v=0 8 e - d1Sigma+ v=0 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 1 d1Sigma+ 18 0 1 9041.8849 Q(18) : b1Pi v=0 18 f - d1Sigma+ v=0 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 d1Sigma+ 37 1 1 9042.6017 R(37) : b1Pi v=0 38 e - d1Sigma+ v=0 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 1 d1Sigma+ 17 1 1 9043.1641 Q(17) : b1Pi v=0 17 f - d1Sigma+ v=0 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 1 d1Sigma+ 8 0 1 9043.2796 P(8) : b1Pi v=0 7 e - d1Sigma+ v=0 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 d1Sigma+ 36 0 1 9044.2294 R(36) : b1Pi v=0 37 e - d1Sigma+ v=0 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 1 d1Sigma+ 16 0 1 9044.3726 Q(16) : b1Pi v=0 16 f - d1Sigma+ v=0 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 0 1 d1Sigma+ 7 1 1 9044.8768 P(7) : b1Pi v=0 6 e - d1Sigma+ v=0 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 1 d1Sigma+ 15 1 1 9045.5099 Q(15) : b1Pi v=0 15 f - d1Sigma+ v=0 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 d1Sigma+ 35 1 1 9045.7875 R(35) : b1Pi v=0 36 e - d1Sigma+ v=0 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 1 d1Sigma+ 14 0 1 9046.5761 Q(14) : b1Pi v=0 14 f - d1Sigma+ v=0 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 d1Sigma+ 34 0 1 9047.2739 R(34) : b1Pi v=0 35 e - d1Sigma+ v=0 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 1 d1Sigma+ 13 1 1 9047.5712 Q(13) : b1Pi v=0 13 f - d1Sigma+ v=0 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 1 d1Sigma+ 12 0 1 9048.4956 Q(12) : b1Pi v=0 12 f - d1Sigma+ v=0 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 d1Sigma+ 33 1 1 9048.6858 R(33) : b1Pi v=0 34 e - d1Sigma+ v=0 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 1 d1Sigma+ 11 1 1 9049.3484 Q(11) : b1Pi v=0 11 f - d1Sigma+ v=0 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 d1Sigma+ 32 0 1 9050.0290 R(32) : b1Pi v=0 33 e - d1Sigma+ v=0 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 1 d1Sigma+ 10 0 1 9050.1315 Q(10) : b1Pi v=0 10 f - d1Sigma+ v=0 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 1 d1Sigma+ 9 1 1 9050.8418 Q(9) : b1Pi v=0 9 f - d1Sigma+ v=0 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 d1Sigma+ 31 1 1 9051.2995 R(31) : b1Pi v=0 32 e - d1Sigma+ v=0 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 1 d1Sigma+ 8 0 1 9051.4808 Q(8) : b1Pi v=0 8 f - d1Sigma+ v=0 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 1 d1Sigma+ 7 1 1 9052.0500 Q(7) : b1Pi v=0 7 f - d1Sigma+ v=0 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 d1Sigma+ 30 0 1 9052.4973 R(30) : b1Pi v=0 31 e - d1Sigma+ v=0 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 1 d1Sigma+ 6 0 1 9052.5469 Q(6) : b1Pi v=0 6 f - d1Sigma+ v=0 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 d1Sigma+ 5 1 1 9052.9747 Q(5) : b1Pi v=0 5 f - d1Sigma+ v=0 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 1 d1Sigma+ 4 0 1 9053.3292 Q(4) : b1Pi v=0 4 f - d1Sigma+ v=0 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 0 1 d1Sigma+ 3 1 1 9053.6212 Q(3) : b1Pi v=0 3 f - d1Sigma+ v=0 3 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 d1Sigma+ 29 1 1 9053.6212 R(29) : b1Pi v=0 30 e - d1Sigma+ v=0 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 d1Sigma+ 28 0 1 9054.6770 R(28) : b1Pi v=0 29 e - d1Sigma+ v=0 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 d1Sigma+ 27 1 1 9055.6592 R(27) : b1Pi v=0 28 e - d1Sigma+ v=0 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 1 1 d1Sigma+ 2 0 1 9056.9021 R(2) : b1Pi v=0 3 e - d1Sigma+ v=0 2 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 d1Sigma+ 25 1 1 9057.4041 R(25) : b1Pi v=0 26 e - d1Sigma+ v=0 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 1 d1Sigma+ 3 1 1 9057.7050 R(3) : b1Pi v=0 4 e - d1Sigma+ v=0 3 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 d1Sigma+ 24 0 1 9058.1723 R(24) : b1Pi v=0 25 e - d1Sigma+ v=0 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 d1Sigma+ 4 0 1 9058.4440 R(4) : b1Pi v=0 5 e - d1Sigma+ v=0 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 d1Sigma+ 23 1 1 9058.8676 R(23) : b1Pi v=0 24 e - d1Sigma+ v=0 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 0 1 d1Sigma+ 5 1 1 9059.1136 R(5) : b1Pi v=0 6 e - d1Sigma+ v=0 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 d1Sigma+ 22 0 1 9059.4905 R(22) : b1Pi v=0 23 e - d1Sigma+ v=0 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 1 d1Sigma+ 6 0 1 9059.7065 R(6) : b1Pi v=0 7 e - d1Sigma+ v=0 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 d1Sigma+ 21 1 1 9060.0421 R(21) : b1Pi v=0 22 e - d1Sigma+ v=0 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 1 d1Sigma+ 7 1 1 9060.2324 R(7) : b1Pi v=0 8 e - d1Sigma+ v=0 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 d1Sigma+ 20 0 1 9060.5217 R(20) : b1Pi v=0 21 e - d1Sigma+ v=0 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 1 d1Sigma+ 8 0 1 9060.6806 R(8) : b1Pi v=0 9 e - d1Sigma+ v=0 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 1 d1Sigma+ 19 1 1 9060.9297 R(19) : b1Pi v=0 20 e - d1Sigma+ v=0 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 1 d1Sigma+ 9 1 1 9061.0623 R(9) : b1Pi v=0 10 e - d1Sigma+ v=0 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 1 d1Sigma+ 18 0 1 9061.2655 R(18) : b1Pi v=0 19 e - d1Sigma+ v=0 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 1 d1Sigma+ 10 0 1 9061.3722 R(10) : b1Pi v=0 11 e - d1Sigma+ v=0 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 1 d1Sigma+ 17 1 1 9061.5283 R(17) : b1Pi v=0 18 e - d1Sigma+ v=0 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 1 d1Sigma+ 11 1 1 9061.6085 R(11) : b1Pi v=0 12 e - d1Sigma+ v=0 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 1 d1Sigma+ 16 0 1 9061.7233 R(16) : b1Pi v=0 17 e - d1Sigma+ v=0 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 88 1 3 d1Sigma+ 88 0 2 9556.1943 Q(88) : b1Pi v=2 88 f - d1Sigma+ v=1 88 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 86 0 2 d1Sigma+ 87 1 1 9582.4911 P(87) : b1Pi v=1 86 e - d1Sigma+ v=0 87 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 1 3 d1Sigma+ 84 0 2 9582.6014 Q(84) : b1Pi v=2 84 f - d1Sigma+ v=1 84 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 99 0 2 d1Sigma+ 99 1 1 9583.8669 Q(99) : b1Pi v=1 99 f - d1Sigma+ v=0 99 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 4 d1Sigma+ 64 0 3 9588.1083 Q(64) : b1Pi v=3 64 f - d1Sigma+ v=2 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 3 d1Sigma+ 71 1 2 9588.2762 P(71) : b1Pi v=2 70 e - d1Sigma+ v=1 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 0 3 d1Sigma+ 83 1 2 9588.9965 Q(83) : b1Pi v=2 83 f - d1Sigma+ v=1 83 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 85 1 2 d1Sigma+ 86 0 1 9590.1842 P(86) : b1Pi v=1 85 e - d1Sigma+ v=0 86 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 97 0 2 d1Sigma+ 97 1 1 9599.0823 Q(97) : b1Pi v=1 97 f - d1Sigma+ v=0 97 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 3 d1Sigma+ 69 1 2 9601.0032 P(69) : b1Pi v=2 68 e - d1Sigma+ v=1 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 3 d1Sigma+ 81 1 2 9601.5912 Q(81) : b1Pi v=2 81 f - d1Sigma+ v=1 81 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 1 2 d1Sigma+ 84 0 1 9605.3343 P(84) : b1Pi v=1 83 e - d1Sigma+ v=0 84 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 96 1 2 d1Sigma+ 96 0 1 9606.5654 Q(96) : b1Pi v=1 96 f - d1Sigma+ v=0 96 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 4 d1Sigma+ 60 0 3 9606.9464 Q(60) : b1Pi v=3 60 f - d1Sigma+ v=2 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 3 d1Sigma+ 68 0 2 9607.2504 P(68) : b1Pi v=2 67 e - d1Sigma+ v=1 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 1 3 d1Sigma+ 80 0 2 9607.7717 Q(80) : b1Pi v=2 80 f - d1Sigma+ v=1 80 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 4 d1Sigma+ 48 0 3 9607.8766 P(48) : b1Pi v=3 47 e - d1Sigma+ v=2 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 4 d1Sigma+ 47 1 3 9612.5015 P(47) : b1Pi v=3 46 e - d1Sigma+ v=2 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 3 d1Sigma+ 67 1 2 9613.4098 P(67) : b1Pi v=2 66 e - d1Sigma+ v=1 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 0 3 d1Sigma+ 79 1 2 9613.8762 Q(79) : b1Pi v=2 79 f - d1Sigma+ v=1 79 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 3 d1Sigma+ 66 0 2 9619.5187 P(66) : b1Pi v=2 65 e - d1Sigma+ v=1 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 1 3 d1Sigma+ 78 0 2 9619.8989 Q(78) : b1Pi v=2 78 f - d1Sigma+ v=1 78 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 1 2 d1Sigma+ 82 0 1 9620.1787 P(82) : b1Pi v=1 81 e - d1Sigma+ v=0 82 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 4 d1Sigma+ 57 1 3 9620.2879 Q(57) : b1Pi v=3 57 f - d1Sigma+ v=2 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 4 d1Sigma+ 56 0 3 9624.5833 Q(56) : b1Pi v=3 56 f - d1Sigma+ v=2 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 3 d1Sigma+ 65 1 2 9625.5542 P(65) : b1Pi v=2 64 e - d1Sigma+ v=1 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 93 0 2 d1Sigma+ 93 1 1 9628.5649 Q(93) : b1Pi v=1 93 f - d1Sigma+ v=0 93 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 4 d1Sigma+ 55 1 3 9628.8152 Q(55) : b1Pi v=3 55 f - d1Sigma+ v=2 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 3 d1Sigma+ 64 0 2 9631.4967 P(64) : b1Pi v=2 63 e - d1Sigma+ v=1 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 1 3 d1Sigma+ 76 0 2 9631.7216 Q(76) : b1Pi v=2 76 f - d1Sigma+ v=1 76 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 4 d1Sigma+ 69 1 3 9631.7216 R(69) : b1Pi v=3 70 e - d1Sigma+ v=2 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 4 d1Sigma+ 54 0 3 9632.9490 Q(54) : b1Pi v=3 54 f - d1Sigma+ v=2 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 4 d1Sigma+ 42 0 3 9634.4440 P(42) : b1Pi v=3 41 e - d1Sigma+ v=2 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 1 2 d1Sigma+ 80 0 1 9634.7494 P(80) : b1Pi v=1 79 e - d1Sigma+ v=0 80 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 4 d1Sigma+ 53 1 3 9637.0141 Q(53) : b1Pi v=3 53 f - d1Sigma+ v=2 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 3 d1Sigma+ 75 1 2 9637.5222 Q(75) : b1Pi v=2 75 f - d1Sigma+ v=1 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 4 d1Sigma+ 41 1 3 9638.6188 P(41) : b1Pi v=3 40 e - d1Sigma+ v=2 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 0 2 d1Sigma+ 79 1 1 9641.8954 P(79) : b1Pi v=1 78 e - d1Sigma+ v=0 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 4 d1Sigma+ 50 0 3 9648.7619 Q(50) : b1Pi v=3 50 f - d1Sigma+ v=2 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 4 d1Sigma+ 48 0 3 9656.2208 Q(48) : b1Pi v=3 48 f - d1Sigma+ v=2 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 4 d1Sigma+ 47 1 3 9659.8424 Q(47) : b1Pi v=3 47 f - d1Sigma+ v=2 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 3 d1Sigma+ 71 1 2 9659.9240 Q(71) : b1Pi v=2 71 f - d1Sigma+ v=1 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 3 d1Sigma+ 59 1 2 9660.0871 P(59) : b1Pi v=2 58 e - d1Sigma+ v=1 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 1 2 d1Sigma+ 76 0 1 9662.9139 P(76) : b1Pi v=1 75 e - d1Sigma+ v=0 76 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 4 d1Sigma+ 46 0 3 9663.3733 Q(46) : b1Pi v=3 46 f - d1Sigma+ v=2 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 88 1 2 d1Sigma+ 88 0 1 9663.6484 Q(88) : b1Pi v=1 88 f - d1Sigma+ v=0 88 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 3 d1Sigma+ 70 0 2 9665.3410 Q(70) : b1Pi v=2 70 f - d1Sigma+ v=1 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 3 d1Sigma+ 58 0 2 9665.6010 P(58) : b1Pi v=2 57 e - d1Sigma+ v=1 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 4 d1Sigma+ 45 1 3 9666.8320 Q(45) : b1Pi v=3 45 f - d1Sigma+ v=2 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 0 2 d1Sigma+ 75 1 1 9669.7642 P(75) : b1Pi v=1 74 e - d1Sigma+ v=0 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 4 d1Sigma+ 44 0 3 9670.2208 Q(44) : b1Pi v=3 44 f - d1Sigma+ v=2 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 87 0 2 d1Sigma+ 87 1 1 9670.4490 Q(87) : b1Pi v=1 87 f - d1Sigma+ v=0 87 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 3 d1Sigma+ 69 1 2 9670.6726 Q(69) : b1Pi v=2 69 f - d1Sigma+ v=1 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 3 d1Sigma+ 57 1 2 9671.0123 P(57) : b1Pi v=2 56 e - d1Sigma+ v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 4 d1Sigma+ 32 0 3 9672.7176 P(32) : b1Pi v=3 31 e - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 4 d1Sigma+ 43 1 3 9673.5351 Q(43) : b1Pi v=3 43 f - d1Sigma+ v=2 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 4 d1Sigma+ 58 0 3 9674.2984 R(58) : b1Pi v=3 59 e - d1Sigma+ v=2 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 3 d1Sigma+ 68 0 2 9675.9426 Q(68) : b1Pi v=2 68 f - d1Sigma+ v=1 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 3 d1Sigma+ 56 0 2 9676.3533 P(56) : b1Pi v=2 55 e - d1Sigma+ v=1 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 1 2 d1Sigma+ 74 0 1 9676.5311 P(74) : b1Pi v=1 73 e - d1Sigma+ v=0 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 4 d1Sigma+ 42 0 3 9676.7627 Q(42) : b1Pi v=3 42 f - d1Sigma+ v=2 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 4 d1Sigma+ 41 1 3 9679.9346 Q(41) : b1Pi v=3 41 f - d1Sigma+ v=2 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 3 d1Sigma+ 67 1 2 9681.1128 Q(67) : b1Pi v=2 67 f - d1Sigma+ v=1 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 3 d1Sigma+ 55 1 2 9681.6109 P(55) : b1Pi v=2 54 e - d1Sigma+ v=1 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 4 d1Sigma+ 40 0 3 9683.0194 Q(40) : b1Pi v=3 40 f - d1Sigma+ v=2 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 2 d1Sigma+ 73 1 1 9683.2313 P(73) : b1Pi v=1 72 e - d1Sigma+ v=0 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 85 0 2 d1Sigma+ 85 1 1 9683.7976 Q(85) : b1Pi v=1 85 f - d1Sigma+ v=0 85 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 4 d1Sigma+ 39 1 3 9686.0249 Q(39) : b1Pi v=3 39 f - d1Sigma+ v=2 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 3 d1Sigma+ 66 0 2 9686.2156 Q(66) : b1Pi v=2 66 f - d1Sigma+ v=1 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 3 d1Sigma+ 54 0 2 9686.8052 P(54) : b1Pi v=2 53 e - d1Sigma+ v=1 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 4 d1Sigma+ 38 0 3 9688.9653 Q(38) : b1Pi v=3 38 f - d1Sigma+ v=2 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 1 2 d1Sigma+ 72 0 1 9689.8539 P(72) : b1Pi v=1 71 e - d1Sigma+ v=0 72 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 1 2 d1Sigma+ 84 0 1 9690.3505 Q(84) : b1Pi v=1 84 f - d1Sigma+ v=0 84 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 3 d1Sigma+ 65 1 2 9691.2440 Q(65) : b1Pi v=2 65 f - d1Sigma+ v=1 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 4 d1Sigma+ 37 1 3 9691.8236 Q(37) : b1Pi v=3 37 f - d1Sigma+ v=2 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 4 d1Sigma+ 36 0 3 9694.6078 Q(36) : b1Pi v=3 36 f - d1Sigma+ v=2 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 3 d1Sigma+ 64 0 2 9696.1931 Q(64) : b1Pi v=2 64 f - d1Sigma+ v=1 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 2 d1Sigma+ 71 1 1 9696.4062 P(71) : b1Pi v=1 70 e - d1Sigma+ v=0 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 0 2 d1Sigma+ 83 1 1 9696.8354 Q(83) : b1Pi v=1 83 f - d1Sigma+ v=0 83 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 3 d1Sigma+ 52 0 2 9696.9658 P(52) : b1Pi v=2 51 e - d1Sigma+ v=1 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 4 d1Sigma+ 35 1 3 9697.3177 Q(35) : b1Pi v=3 35 f - d1Sigma+ v=2 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 4 d1Sigma+ 34 0 3 9699.9499 Q(34) : b1Pi v=3 34 f - d1Sigma+ v=2 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 3 d1Sigma+ 63 1 2 9701.0816 Q(63) : b1Pi v=2 63 f - d1Sigma+ v=1 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 3 d1Sigma+ 51 1 2 9701.9371 P(51) : b1Pi v=2 50 e - d1Sigma+ v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 4 d1Sigma+ 33 1 3 9702.5076 Q(33) : b1Pi v=3 33 f - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 1 2 d1Sigma+ 70 0 1 9702.8792 P(70) : b1Pi v=1 69 e - d1Sigma+ v=0 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 82 1 2 d1Sigma+ 82 0 1 9703.2322 Q(82) : b1Pi v=1 82 f - d1Sigma+ v=0 82 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 4 d1Sigma+ 32 0 3 9704.9883 Q(32) : b1Pi v=3 32 f - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 3 d1Sigma+ 62 0 2 9705.8744 Q(62) : b1Pi v=2 62 f - d1Sigma+ v=1 62 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 3 d1Sigma+ 50 0 2 9706.8247 P(50) : b1Pi v=2 49 e - d1Sigma+ v=1 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 4 d1Sigma+ 31 1 3 9707.3957 Q(31) : b1Pi v=3 31 f - d1Sigma+ v=2 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 4 d1Sigma+ 20 0 3 9708.7243 P(20) : b1Pi v=3 19 e - d1Sigma+ v=2 20 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 2 d1Sigma+ 69 1 1 9709.2670 P(69) : b1Pi v=1 68 e - d1Sigma+ v=0 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 2 d1Sigma+ 81 1 1 9709.5534 Q(81) : b1Pi v=1 81 f - d1Sigma+ v=0 81 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 4 d1Sigma+ 30 0 3 9709.7243 Q(30) : b1Pi v=3 30 f - d1Sigma+ v=2 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 3 d1Sigma+ 61 1 2 9710.6014 Q(61) : b1Pi v=2 61 f - d1Sigma+ v=1 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 4 d1Sigma+ 29 1 3 9711.9878 Q(29) : b1Pi v=3 29 f - d1Sigma+ v=2 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 4 d1Sigma+ 45 1 3 9712.6030 R(45) : b1Pi v=3 46 e - d1Sigma+ v=2 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 4 d1Sigma+ 28 0 3 9714.1658 Q(28) : b1Pi v=3 28 f - d1Sigma+ v=2 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 3 d1Sigma+ 60 0 2 9715.2542 Q(60) : b1Pi v=2 60 f - d1Sigma+ v=1 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 2 d1Sigma+ 68 0 1 9715.5845 P(68) : b1Pi v=1 67 e - d1Sigma+ v=0 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 1 2 d1Sigma+ 80 0 1 9715.8024 Q(80) : b1Pi v=1 80 f - d1Sigma+ v=0 80 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 4 d1Sigma+ 27 1 3 9716.2847 Q(27) : b1Pi v=3 27 f - d1Sigma+ v=2 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 3 d1Sigma+ 48 0 2 9716.3654 P(48) : b1Pi v=2 47 e - d1Sigma+ v=1 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 4 d1Sigma+ 26 0 3 9718.3091 Q(26) : b1Pi v=3 26 f - d1Sigma+ v=2 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 4 d1Sigma+ 42 0 3 9719.5950 R(42) : b1Pi v=3 43 e - d1Sigma+ v=2 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 4 d1Sigma+ 25 1 3 9720.2587 Q(25) : b1Pi v=3 25 f - d1Sigma+ v=2 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 3 d1Sigma+ 47 1 2 9721.0427 P(47) : b1Pi v=2 46 e - d1Sigma+ v=1 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 2 d1Sigma+ 67 1 1 9721.8359 P(67) : b1Pi v=1 66 e - d1Sigma+ v=0 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 0 3 d1Sigma+ 73 1 2 9721.9692 R(73) : b1Pi v=2 74 e - d1Sigma+ v=1 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 0 2 d1Sigma+ 79 1 1 9721.9692 Q(79) : b1Pi v=1 79 f - d1Sigma+ v=0 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 4 d1Sigma+ 24 0 3 9722.1372 Q(24) : b1Pi v=3 24 f - d1Sigma+ v=2 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 4 d1Sigma+ 23 1 3 9723.9438 Q(23) : b1Pi v=3 23 f - d1Sigma+ v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 4 d1Sigma+ 22 0 3 9725.6737 Q(22) : b1Pi v=3 22 f - d1Sigma+ v=2 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 4 d1Sigma+ 12 0 3 9726.7305 P(12) : b1Pi v=3 11 e - d1Sigma+ v=2 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 4 d1Sigma+ 21 1 3 9727.3258 Q(21) : b1Pi v=3 21 f - d1Sigma+ v=2 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 3 d1Sigma+ 57 1 2 9728.7048 Q(57) : b1Pi v=2 57 f - d1Sigma+ v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 4 d1Sigma+ 20 0 3 9728.9098 Q(20) : b1Pi v=3 20 f - d1Sigma+ v=2 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 3 d1Sigma+ 45 1 2 9730.1234 P(45) : b1Pi v=2 44 e - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 4 d1Sigma+ 19 1 3 9730.4073 Q(19) : b1Pi v=3 19 f - d1Sigma+ v=2 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 4 d1Sigma+ 36 0 3 9731.5303 R(36) : b1Pi v=3 37 e - d1Sigma+ v=2 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 4 d1Sigma+ 18 0 3 9731.8364 Q(18) : b1Pi v=3 18 f - d1Sigma+ v=2 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 3 d1Sigma+ 56 0 2 9733.0489 Q(56) : b1Pi v=2 56 f - d1Sigma+ v=1 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 0 2 d1Sigma+ 77 1 1 9734.0707 Q(77) : b1Pi v=1 77 f - d1Sigma+ v=0 77 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 2 d1Sigma+ 65 1 1 9734.0707 P(65) : b1Pi v=1 64 e - d1Sigma+ v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 4 d1Sigma+ 16 0 3 9734.4690 Q(16) : b1Pi v=3 16 f - d1Sigma+ v=2 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 3 d1Sigma+ 44 0 2 9734.5597 P(44) : b1Pi v=2 43 e - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 4 d1Sigma+ 33 1 3 9736.4629 R(33) : b1Pi v=3 34 e - d1Sigma+ v=2 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 4 d1Sigma+ 14 0 3 9736.8038 Q(14) : b1Pi v=3 14 f - d1Sigma+ v=2 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 3 d1Sigma+ 55 1 2 9737.3072 Q(55) : b1Pi v=2 55 f - d1Sigma+ v=1 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 4 d1Sigma+ 13 1 3 9737.8498 Q(13) : b1Pi v=3 13 f - d1Sigma+ v=2 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 4 d1Sigma+ 32 0 3 9737.9559 R(32) : b1Pi v=3 33 e - d1Sigma+ v=2 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 4 d1Sigma+ 12 0 3 9738.8300 Q(12) : b1Pi v=3 12 f - d1Sigma+ v=2 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 3 d1Sigma+ 43 1 2 9738.9138 P(43) : b1Pi v=2 42 e - d1Sigma+ v=1 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 4 d1Sigma+ 11 1 3 9739.7279 Q(11) : b1Pi v=3 11 f - d1Sigma+ v=2 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 4 d1Sigma+ 10 0 3 9740.5573 Q(10) : b1Pi v=3 10 f - d1Sigma+ v=2 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 4 d1Sigma+ 9 1 3 9741.3043 Q(9) : b1Pi v=3 9 f - d1Sigma+ v=2 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 3 d1Sigma+ 54 0 2 9741.4982 Q(54) : b1Pi v=2 54 f - d1Sigma+ v=1 54 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 4 d1Sigma+ 8 0 3 9741.9876 Q(8) : b1Pi v=3 8 f - d1Sigma+ v=2 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 4 d1Sigma+ 29 1 3 9741.9876 R(29) : b1Pi v=3 30 e - d1Sigma+ v=2 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 3 d1Sigma+ 42 0 2 9743.1910 P(42) : b1Pi v=2 41 e - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 3 d1Sigma+ 53 1 2 9745.6129 Q(53) : b1Pi v=2 53 f - d1Sigma+ v=1 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 2 d1Sigma+ 75 1 1 9745.8620 Q(75) : b1Pi v=1 75 f - d1Sigma+ v=0 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 d1Sigma+ 63 1 1 9746.0188 P(63) : b1Pi v=1 62 e - d1Sigma+ v=0 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 3 d1Sigma+ 41 1 2 9747.3998 P(41) : b1Pi v=2 40 e - d1Sigma+ v=1 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 3 d1Sigma+ 67 1 2 9748.4856 R(67) : b1Pi v=2 68 e - d1Sigma+ v=1 67 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 3 d1Sigma+ 52 0 2 9749.6391 Q(52) : b1Pi v=2 52 f - d1Sigma+ v=1 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 4 d1Sigma+ 16 0 3 9751.5263 R(16) : b1Pi v=3 17 e - d1Sigma+ v=2 16 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 3 d1Sigma+ 40 0 2 9751.5263 P(40) : b1Pi v=2 39 e - d1Sigma+ v=1 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 2 d1Sigma+ 74 0 1 9751.6478 Q(74) : b1Pi v=1 74 f - d1Sigma+ v=0 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 2 d1Sigma+ 62 0 1 9751.8809 P(62) : b1Pi v=1 61 e - d1Sigma+ v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 3 d1Sigma+ 51 1 2 9753.5986 Q(51) : b1Pi v=2 51 f - d1Sigma+ v=1 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 88 0 2 d1Sigma+ 87 1 1 9757.1994 R(87) : b1Pi v=1 88 e - d1Sigma+ v=0 87 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 2 d1Sigma+ 73 1 1 9757.3523 Q(73) : b1Pi v=1 73 f - d1Sigma+ v=0 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 3 d1Sigma+ 50 0 2 9757.4769 Q(50) : b1Pi v=2 50 f - d1Sigma+ v=1 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 2 d1Sigma+ 61 1 1 9757.6605 P(61) : b1Pi v=1 60 e - d1Sigma+ v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 3 d1Sigma+ 38 0 2 9759.5603 P(38) : b1Pi v=2 37 e - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 3 d1Sigma+ 49 1 2 9761.2915 Q(49) : b1Pi v=2 49 f - d1Sigma+ v=1 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 2 d1Sigma+ 72 0 1 9762.9822 Q(72) : b1Pi v=1 72 f - d1Sigma+ v=0 72 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 2 d1Sigma+ 60 0 1 9763.3606 P(60) : b1Pi v=1 59 e - d1Sigma+ v=0 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 3 d1Sigma+ 37 1 2 9763.4712 P(37) : b1Pi v=2 36 e - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 3 d1Sigma+ 36 0 2 9767.2886 P(36) : b1Pi v=2 35 e - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 3 d1Sigma+ 62 0 2 9768.4320 R(62) : b1Pi v=2 63 e - d1Sigma+ v=1 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 2 d1Sigma+ 71 1 1 9768.5275 Q(71) : b1Pi v=1 71 f - d1Sigma+ v=0 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 3 d1Sigma+ 47 1 2 9768.6706 Q(47) : b1Pi v=2 47 f - d1Sigma+ v=1 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 d1Sigma+ 59 1 1 9768.9846 P(59) : b1Pi v=1 58 e - d1Sigma+ v=0 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 3 d1Sigma+ 35 1 2 9771.0424 P(35) : b1Pi v=2 34 e - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 3 d1Sigma+ 46 0 2 9772.2471 Q(46) : b1Pi v=2 46 f - d1Sigma+ v=1 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 2 d1Sigma+ 70 0 1 9773.9959 Q(70) : b1Pi v=1 70 f - d1Sigma+ v=0 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 2 d1Sigma+ 58 0 1 9774.5449 P(58) : b1Pi v=1 57 e - d1Sigma+ v=0 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 3 d1Sigma+ 34 0 2 9774.7179 P(34) : b1Pi v=2 33 e - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 3 d1Sigma+ 45 1 2 9775.7436 Q(45) : b1Pi v=2 45 f - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 3 d1Sigma+ 33 1 2 9778.3142 P(33) : b1Pi v=2 32 e - d1Sigma+ v=1 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 3 d1Sigma+ 44 0 2 9779.1691 Q(44) : b1Pi v=2 44 f - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 2 d1Sigma+ 69 1 1 9779.3843 Q(69) : b1Pi v=1 69 f - d1Sigma+ v=0 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 d1Sigma+ 57 1 1 9780.0059 P(57) : b1Pi v=1 56 e - d1Sigma+ v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 3 d1Sigma+ 32 0 2 9781.8312 P(32) : b1Pi v=2 31 e - d1Sigma+ v=1 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 3 d1Sigma+ 43 1 2 9782.5127 Q(43) : b1Pi v=2 43 f - d1Sigma+ v=1 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 2 d1Sigma+ 68 0 1 9784.7031 Q(68) : b1Pi v=1 68 f - d1Sigma+ v=0 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 3 d1Sigma+ 31 1 2 9785.2894 P(31) : b1Pi v=2 30 e - d1Sigma+ v=1 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 1 2 d1Sigma+ 82 0 1 9785.2894 R(82) : b1Pi v=1 83 e - d1Sigma+ v=0 82 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 2 d1Sigma+ 56 0 1 9785.4080 P(56) : b1Pi v=1 55 e - d1Sigma+ v=0 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 3 d1Sigma+ 42 0 2 9785.7895 Q(42) : b1Pi v=2 42 f - d1Sigma+ v=1 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 3 d1Sigma+ 57 1 2 9786.4422 R(57) : b1Pi v=2 58 e - d1Sigma+ v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 3 d1Sigma+ 30 0 2 9788.6565 P(30) : b1Pi v=2 29 e - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 3 d1Sigma+ 41 1 2 9788.9832 Q(41) : b1Pi v=2 41 f - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 3 d1Sigma+ 56 0 2 9789.8132 R(56) : b1Pi v=2 57 e - d1Sigma+ v=1 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 2 d1Sigma+ 67 1 1 9789.9376 Q(67) : b1Pi v=1 67 f - d1Sigma+ v=0 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 d1Sigma+ 55 1 1 9790.7185 P(55) : b1Pi v=1 54 e - d1Sigma+ v=0 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 3 d1Sigma+ 40 0 2 9792.0973 Q(40) : b1Pi v=2 40 f - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 2 d1Sigma+ 54 0 1 9795.9782 P(54) : b1Pi v=1 53 e - d1Sigma+ v=0 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 3 d1Sigma+ 38 0 2 9798.1077 Q(38) : b1Pi v=2 38 f - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 3 d1Sigma+ 53 1 2 9799.4519 R(53) : b1Pi v=2 54 e - d1Sigma+ v=1 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 2 d1Sigma+ 65 1 1 9800.1819 Q(65) : b1Pi v=1 65 f - d1Sigma+ v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 3 d1Sigma+ 37 1 2 9801.0014 Q(37) : b1Pi v=2 37 f - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 d1Sigma+ 53 1 1 9801.1524 P(53) : b1Pi v=1 52 e - d1Sigma+ v=0 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 3 d1Sigma+ 26 0 2 9801.3813 P(26) : b1Pi v=2 25 e - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 3 d1Sigma+ 52 0 2 9802.5019 R(52) : b1Pi v=2 53 e - d1Sigma+ v=1 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 3 d1Sigma+ 36 0 2 9803.8101 Q(36) : b1Pi v=2 36 f - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 3 d1Sigma+ 25 1 2 9804.3696 P(25) : b1Pi v=2 24 e - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 2 d1Sigma+ 52 0 1 9806.2342 P(52) : b1Pi v=1 51 e - d1Sigma+ v=0 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 3 d1Sigma+ 35 1 2 9806.5474 Q(35) : b1Pi v=2 35 f - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 3 d1Sigma+ 24 0 2 9807.2862 P(24) : b1Pi v=2 23 e - d1Sigma+ v=1 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 3 d1Sigma+ 50 0 2 9808.4076 R(50) : b1Pi v=2 51 e - d1Sigma+ v=1 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 3 d1Sigma+ 34 0 2 9809.2127 Q(34) : b1Pi v=2 34 f - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 2 d1Sigma+ 63 1 1 9810.1191 Q(63) : b1Pi v=1 63 f - d1Sigma+ v=0 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 3 d1Sigma+ 23 1 2 9810.1191 P(23) : b1Pi v=2 22 e - d1Sigma+ v=1 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 2 d1Sigma+ 51 1 1 9811.2382 P(51) : b1Pi v=1 50 e - d1Sigma+ v=0 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 3 d1Sigma+ 33 1 2 9811.7908 Q(33) : b1Pi v=2 33 f - d1Sigma+ v=1 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 3 d1Sigma+ 22 0 2 9812.8995 P(22) : b1Pi v=2 21 e - d1Sigma+ v=1 22 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 3 d1Sigma+ 32 0 2 9814.3027 Q(32) : b1Pi v=2 32 f - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 2 d1Sigma+ 62 0 1 9814.9698 Q(62) : b1Pi v=1 62 f - d1Sigma+ v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 3 d1Sigma+ 31 1 2 9816.7336 Q(31) : b1Pi v=2 31 f - d1Sigma+ v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 3 d1Sigma+ 30 0 2 9819.0931 Q(30) : b1Pi v=2 30 f - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 2 d1Sigma+ 61 1 1 9819.7459 Q(61) : b1Pi v=1 61 f - d1Sigma+ v=0 61 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 3 d1Sigma+ 19 1 2 9820.7195 P(19) : b1Pi v=2 18 e - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 d1Sigma+ 49 1 1 9821.0555 P(49) : b1Pi v=1 48 e - d1Sigma+ v=0 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 3 d1Sigma+ 29 1 2 9821.3727 Q(29) : b1Pi v=2 29 f - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 3 d1Sigma+ 45 1 2 9821.7572 R(45) : b1Pi v=2 46 e - d1Sigma+ v=1 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 3 d1Sigma+ 18 0 2 9823.1819 P(18) : b1Pi v=2 17 e - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 3 d1Sigma+ 28 0 2 9823.5768 Q(28) : b1Pi v=2 28 f - d1Sigma+ v=1 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 3 d1Sigma+ 44 0 2 9824.1895 R(44) : b1Pi v=2 45 e - d1Sigma+ v=1 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 d1Sigma+ 60 0 1 9824.4437 Q(60) : b1Pi v=1 60 f - d1Sigma+ v=0 60 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 3 d1Sigma+ 17 1 2 9825.5556 P(17) : b1Pi v=2 16 e - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 3 d1Sigma+ 27 1 2 9825.7048 Q(27) : b1Pi v=2 27 f - d1Sigma+ v=1 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 d1Sigma+ 48 0 1 9825.8362 P(48) : b1Pi v=1 47 e - d1Sigma+ v=0 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 3 d1Sigma+ 26 0 2 9827.7592 Q(26) : b1Pi v=2 26 f - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 3 d1Sigma+ 42 0 2 9828.8438 R(42) : b1Pi v=2 43 e - d1Sigma+ v=1 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 2 d1Sigma+ 59 1 1 9829.0592 Q(59) : b1Pi v=1 59 f - d1Sigma+ v=0 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 3 d1Sigma+ 15 1 2 9830.1042 P(15) : b1Pi v=2 14 e - d1Sigma+ v=1 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 d1Sigma+ 47 1 1 9830.5463 P(47) : b1Pi v=1 46 e - d1Sigma+ v=0 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 3 d1Sigma+ 41 1 2 9831.0537 R(41) : b1Pi v=2 42 e - d1Sigma+ v=1 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 3 d1Sigma+ 24 0 2 9831.6353 Q(24) : b1Pi v=2 24 f - d1Sigma+ v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 3 d1Sigma+ 14 0 2 9832.2617 P(14) : b1Pi v=2 13 e - d1Sigma+ v=1 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 3 d1Sigma+ 40 0 2 9833.1801 R(40) : b1Pi v=2 41 e - d1Sigma+ v=1 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 3 d1Sigma+ 23 1 2 9833.4586 Q(23) : b1Pi v=2 23 f - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 2 d1Sigma+ 58 0 1 9833.6032 Q(58) : b1Pi v=1 58 f - d1Sigma+ v=0 58 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 3 d1Sigma+ 13 1 2 9834.3329 P(13) : b1Pi v=2 12 e - d1Sigma+ v=1 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 3 d1Sigma+ 21 1 2 9836.8785 Q(21) : b1Pi v=2 21 f - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 3 d1Sigma+ 38 0 2 9837.2131 R(38) : b1Pi v=2 39 e - d1Sigma+ v=1 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 d1Sigma+ 57 1 1 9838.0708 Q(57) : b1Pi v=1 57 f - d1Sigma+ v=0 57 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 3 d1Sigma+ 11 1 2 9838.2609 P(11) : b1Pi v=2 10 e - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 3 d1Sigma+ 20 0 2 9838.4753 Q(20) : b1Pi v=2 20 f - d1Sigma+ v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 3 d1Sigma+ 37 1 2 9839.1112 R(37) : b1Pi v=2 38 e - d1Sigma+ v=1 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 d1Sigma+ 45 1 1 9839.7300 P(45) : b1Pi v=1 44 e - d1Sigma+ v=0 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 3 d1Sigma+ 19 1 2 9839.9947 Q(19) : b1Pi v=2 19 f - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 3 d1Sigma+ 10 0 2 9840.1149 P(10) : b1Pi v=2 9 e - d1Sigma+ v=1 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 2 d1Sigma+ 71 1 1 9840.1149 R(71) : b1Pi v=1 72 e - d1Sigma+ v=0 71 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 3 d1Sigma+ 36 0 2 9840.9331 R(36) : b1Pi v=2 37 e - d1Sigma+ v=1 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 3 d1Sigma+ 18 0 2 9841.4382 Q(18) : b1Pi v=2 18 f - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 2 d1Sigma+ 56 0 1 9842.4562 Q(56) : b1Pi v=1 56 f - d1Sigma+ v=0 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 3 d1Sigma+ 35 1 2 9842.6833 R(35) : b1Pi v=2 36 e - d1Sigma+ v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 3 d1Sigma+ 17 1 2 9842.8051 Q(17) : b1Pi v=2 17 f - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 3 d1Sigma+ 16 0 2 9844.0972 Q(16) : b1Pi v=2 16 f - d1Sigma+ v=1 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 d1Sigma+ 44 0 1 9844.2092 P(44) : b1Pi v=1 43 e - d1Sigma+ v=0 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 3 d1Sigma+ 34 0 2 9844.3513 R(34) : b1Pi v=2 35 e - d1Sigma+ v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 3 d1Sigma+ 15 1 2 9845.3122 Q(15) : b1Pi v=2 15 f - d1Sigma+ v=1 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 3 d1Sigma+ 33 1 2 9845.9446 R(33) : b1Pi v=2 34 e - d1Sigma+ v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 3 d1Sigma+ 14 0 2 9846.4524 Q(14) : b1Pi v=2 14 f - d1Sigma+ v=1 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 d1Sigma+ 55 1 1 9846.7692 Q(55) : b1Pi v=1 55 f - d1Sigma+ v=0 55 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 3 d1Sigma+ 32 0 2 9847.4566 R(32) : b1Pi v=2 33 e - d1Sigma+ v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 3 d1Sigma+ 13 1 2 9847.5146 Q(13) : b1Pi v=2 13 f - d1Sigma+ v=1 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 3 d1Sigma+ 12 0 2 9848.5043 Q(12) : b1Pi v=2 12 f - d1Sigma+ v=1 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 d1Sigma+ 43 1 1 9848.6101 P(43) : b1Pi v=1 42 e - d1Sigma+ v=0 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 3 d1Sigma+ 31 1 2 9848.8973 R(31) : b1Pi v=2 32 e - d1Sigma+ v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 3 d1Sigma+ 11 1 2 9849.4122 Q(11) : b1Pi v=2 11 f - d1Sigma+ v=1 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 3 d1Sigma+ 10 0 2 9850.2562 Q(10) : b1Pi v=2 10 f - d1Sigma+ v=1 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 3 d1Sigma+ 30 0 2 9850.2562 R(30) : b1Pi v=2 31 e - d1Sigma+ v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 3 d1Sigma+ 29 1 2 9851.5426 R(29) : b1Pi v=2 30 e - d1Sigma+ v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 3 d1Sigma+ 8 0 2 9851.6961 Q(8) : b1Pi v=2 8 f - d1Sigma+ v=1 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 d1Sigma+ 42 0 1 9852.9357 P(42) : b1Pi v=1 41 e - d1Sigma+ v=0 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 3 d1Sigma+ 26 0 2 9854.9334 R(26) : b1Pi v=2 27 e - d1Sigma+ v=1 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 2 d1Sigma+ 53 1 1 9855.1580 Q(53) : b1Pi v=1 53 f - d1Sigma+ v=0 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 3 d1Sigma+ 25 1 2 9855.9070 R(25) : b1Pi v=2 26 e - d1Sigma+ v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 3 d1Sigma+ 24 0 2 9856.8106 R(24) : b1Pi v=2 25 e - d1Sigma+ v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 d1Sigma+ 41 1 1 9857.1830 P(41) : b1Pi v=1 40 e - d1Sigma+ v=0 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 3 d1Sigma+ 23 1 2 9857.6371 R(23) : b1Pi v=2 24 e - d1Sigma+ v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 3 d1Sigma+ 22 0 2 9858.3805 R(22) : b1Pi v=2 23 e - d1Sigma+ v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 3 d1Sigma+ 4 0 2 9858.7291 R(4) : b1Pi v=2 5 e - d1Sigma+ v=1 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 3 d1Sigma+ 21 1 2 9859.0500 R(21) : b1Pi v=2 22 e - d1Sigma+ v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 d1Sigma+ 52 0 1 9859.2367 Q(52) : b1Pi v=1 52 f - d1Sigma+ v=0 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 3 d1Sigma+ 19 1 2 9860.1626 R(19) : b1Pi v=2 20 e - d1Sigma+ v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 3 d1Sigma+ 18 0 2 9860.6012 R(18) : b1Pi v=2 19 e - d1Sigma+ v=1 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 3 d1Sigma+ 17 1 2 9860.9666 R(17) : b1Pi v=2 18 e - d1Sigma+ v=1 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 d1Sigma+ 40 0 1 9861.3577 P(40) : b1Pi v=1 39 e - d1Sigma+ v=0 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 3 d1Sigma+ 15 1 2 9861.4616 R(15) : b1Pi v=2 16 e - d1Sigma+ v=1 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 d1Sigma+ 51 1 1 9863.2385 Q(51) : b1Pi v=1 51 f - d1Sigma+ v=0 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 d1Sigma+ 39 1 1 9865.4525 P(39) : b1Pi v=1 38 e - d1Sigma+ v=0 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 2 d1Sigma+ 65 1 1 9866.0030 R(65) : b1Pi v=1 66 e - d1Sigma+ v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 2 d1Sigma+ 50 0 1 9867.1657 Q(50) : b1Pi v=1 50 f - d1Sigma+ v=0 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 d1Sigma+ 38 0 1 9869.4672 P(38) : b1Pi v=1 37 e - d1Sigma+ v=0 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 2 d1Sigma+ 64 0 1 9870.0426 R(64) : b1Pi v=1 65 e - d1Sigma+ v=0 64 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 2 d1Sigma+ 49 1 1 9871.0118 Q(49) : b1Pi v=1 49 f - d1Sigma+ v=0 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 d1Sigma+ 37 1 1 9873.4089 P(37) : b1Pi v=1 36 e - d1Sigma+ v=0 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 d1Sigma+ 48 0 1 9874.7827 Q(48) : b1Pi v=1 48 f - d1Sigma+ v=0 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 d1Sigma+ 36 0 1 9877.2754 P(36) : b1Pi v=1 35 e - d1Sigma+ v=0 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 2 d1Sigma+ 62 0 1 9877.8915 R(62) : b1Pi v=1 63 e - d1Sigma+ v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 d1Sigma+ 47 1 1 9878.4739 Q(47) : b1Pi v=1 47 f - d1Sigma+ v=0 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 d1Sigma+ 35 1 1 9881.0608 P(35) : b1Pi v=1 34 e - d1Sigma+ v=0 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 d1Sigma+ 61 1 1 9881.6925 R(61) : b1Pi v=1 62 e - d1Sigma+ v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 2 d1Sigma+ 46 0 1 9882.0890 Q(46) : b1Pi v=1 46 f - d1Sigma+ v=0 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 d1Sigma+ 34 0 1 9884.7694 P(34) : b1Pi v=1 33 e - d1Sigma+ v=0 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 2 d1Sigma+ 60 0 1 9885.4154 R(60) : b1Pi v=1 61 e - d1Sigma+ v=0 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 d1Sigma+ 45 1 1 9885.6287 Q(45) : b1Pi v=1 45 f - d1Sigma+ v=0 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 d1Sigma+ 33 1 1 9888.4006 P(33) : b1Pi v=1 32 e - d1Sigma+ v=0 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 2 d1Sigma+ 44 0 1 9889.0887 Q(44) : b1Pi v=1 44 f - d1Sigma+ v=0 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 d1Sigma+ 32 0 1 9891.9625 P(32) : b1Pi v=1 31 e - d1Sigma+ v=0 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 2 d1Sigma+ 43 1 1 9892.4767 Q(43) : b1Pi v=1 43 f - d1Sigma+ v=0 43 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 2 d1Sigma+ 58 0 1 9892.6342 R(58) : b1Pi v=1 59 e - d1Sigma+ v=0 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 d1Sigma+ 31 1 1 9895.4446 P(31) : b1Pi v=1 30 e - d1Sigma+ v=0 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 d1Sigma+ 42 0 1 9895.7814 Q(42) : b1Pi v=1 42 f - d1Sigma+ v=0 42 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 d1Sigma+ 57 1 1 9896.1241 R(57) : b1Pi v=1 58 e - d1Sigma+ v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 d1Sigma+ 30 0 1 9898.8486 P(30) : b1Pi v=1 29 e - d1Sigma+ v=0 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 d1Sigma+ 41 1 1 9899.0129 Q(41) : b1Pi v=1 41 f - d1Sigma+ v=0 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 d1Sigma+ 40 0 1 9902.1710 Q(40) : b1Pi v=1 40 f - d1Sigma+ v=0 40 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 d1Sigma+ 29 1 1 9902.1710 P(29) : b1Pi v=1 28 e - d1Sigma+ v=0 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 d1Sigma+ 55 1 1 9902.8645 R(55) : b1Pi v=1 56 e - d1Sigma+ v=0 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 d1Sigma+ 39 1 1 9905.2436 Q(39) : b1Pi v=1 39 f - d1Sigma+ v=0 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 2 d1Sigma+ 28 0 1 9905.4265 P(28) : b1Pi v=1 27 e - d1Sigma+ v=0 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 2 d1Sigma+ 54 0 1 9906.1219 R(54) : b1Pi v=1 55 e - d1Sigma+ v=0 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 d1Sigma+ 38 0 1 9908.2440 Q(38) : b1Pi v=1 38 f - d1Sigma+ v=0 38 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 d1Sigma+ 27 1 1 9908.6023 P(27) : b1Pi v=1 26 e - d1Sigma+ v=0 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 d1Sigma+ 53 1 1 9909.3085 R(53) : b1Pi v=1 54 e - d1Sigma+ v=0 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 d1Sigma+ 37 1 1 9911.1658 Q(37) : b1Pi v=1 37 f - d1Sigma+ v=0 37 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 d1Sigma+ 26 0 1 9911.6942 P(26) : b1Pi v=1 25 e - d1Sigma+ v=0 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 2 d1Sigma+ 52 0 1 9912.3988 R(52) : b1Pi v=1 53 e - d1Sigma+ v=0 52 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 d1Sigma+ 36 0 1 9914.0120 Q(36) : b1Pi v=1 36 f - d1Sigma+ v=0 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 25 1 1 9914.7069 P(25) : b1Pi v=1 24 e - d1Sigma+ v=0 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 d1Sigma+ 51 1 1 9915.4188 R(51) : b1Pi v=1 52 e - d1Sigma+ v=0 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 d1Sigma+ 35 1 1 9916.7787 Q(35) : b1Pi v=1 35 f - d1Sigma+ v=0 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 d1Sigma+ 24 0 1 9917.6571 P(24) : b1Pi v=1 23 e - d1Sigma+ v=0 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 2 d1Sigma+ 50 0 1 9918.3532 R(50) : b1Pi v=1 51 e - d1Sigma+ v=0 50 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 d1Sigma+ 34 0 1 9919.4715 Q(34) : b1Pi v=1 34 f - d1Sigma+ v=0 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 23 1 1 9920.5247 P(23) : b1Pi v=1 22 e - d1Sigma+ v=0 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 d1Sigma+ 33 1 1 9922.0854 Q(33) : b1Pi v=1 33 f - d1Sigma+ v=0 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 2 d1Sigma+ 22 0 1 9923.3143 P(22) : b1Pi v=1 21 e - d1Sigma+ v=0 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 2 d1Sigma+ 48 0 1 9924.0075 R(48) : b1Pi v=1 49 e - d1Sigma+ v=0 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 d1Sigma+ 32 0 1 9924.6222 Q(32) : b1Pi v=1 32 f - d1Sigma+ v=0 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 2 d1Sigma+ 21 1 1 9926.0284 P(21) : b1Pi v=1 20 e - d1Sigma+ v=0 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 d1Sigma+ 47 1 1 9926.7178 R(47) : b1Pi v=1 48 e - d1Sigma+ v=0 47 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 d1Sigma+ 31 1 1 9927.0840 Q(31) : b1Pi v=1 31 f - d1Sigma+ v=0 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 2 d1Sigma+ 20 0 1 9928.6616 P(20) : b1Pi v=1 19 e - d1Sigma+ v=0 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 d1Sigma+ 46 0 1 9929.3472 R(46) : b1Pi v=1 47 e - d1Sigma+ v=0 46 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 2 d1Sigma+ 30 0 1 9929.4670 Q(30) : b1Pi v=1 30 f - d1Sigma+ v=0 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 2 d1Sigma+ 19 1 1 9931.2129 P(19) : b1Pi v=1 18 e - d1Sigma+ v=0 19 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 d1Sigma+ 29 1 1 9931.7733 Q(29) : b1Pi v=1 29 f - d1Sigma+ v=0 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 d1Sigma+ 45 1 1 9931.8984 R(45) : b1Pi v=1 46 e - d1Sigma+ v=0 45 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 1 2 d1Sigma+ 18 0 1 9933.7021 P(18) : b1Pi v=1 17 e - d1Sigma+ v=0 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 d1Sigma+ 28 0 1 9934.0028 Q(28) : b1Pi v=1 28 f - d1Sigma+ v=0 28 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 d1Sigma+ 44 0 1 9934.3694 R(44) : b1Pi v=1 45 e - d1Sigma+ v=0 44 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 d1Sigma+ 27 1 1 9936.1543 Q(27) : b1Pi v=1 27 f - d1Sigma+ v=0 27 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 d1Sigma+ 43 1 1 9936.7614 R(43) : b1Pi v=1 44 e - d1Sigma+ v=0 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 d1Sigma+ 26 0 1 9938.2283 Q(26) : b1Pi v=1 26 f - d1Sigma+ v=0 26 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 2 d1Sigma+ 16 0 1 9938.4282 P(16) : b1Pi v=1 15 e - d1Sigma+ v=0 16 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 d1Sigma+ 42 0 1 9939.0874 R(42) : b1Pi v=1 43 e - d1Sigma+ v=0 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 d1Sigma+ 25 1 1 9940.2265 Q(25) : b1Pi v=1 25 f - d1Sigma+ v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 2 d1Sigma+ 15 1 1 9940.6863 P(15) : b1Pi v=1 14 e - d1Sigma+ v=0 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 d1Sigma+ 41 1 1 9941.3223 R(41) : b1Pi v=1 42 e - d1Sigma+ v=0 41 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 d1Sigma+ 24 0 1 9942.1505 Q(24) : b1Pi v=1 24 f - d1Sigma+ v=0 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 d1Sigma+ 40 0 1 9943.4836 R(40) : b1Pi v=1 41 e - d1Sigma+ v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 d1Sigma+ 23 1 1 9943.9950 Q(23) : b1Pi v=1 23 f - d1Sigma+ v=0 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 2 d1Sigma+ 13 1 1 9944.9522 P(13) : b1Pi v=1 12 e - d1Sigma+ v=0 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 d1Sigma+ 39 1 1 9945.5701 R(39) : b1Pi v=1 40 e - d1Sigma+ v=0 39 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 2 d1Sigma+ 22 0 1 9945.7638 Q(22) : b1Pi v=1 22 f - d1Sigma+ v=0 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 2 d1Sigma+ 21 1 1 9947.4531 Q(21) : b1Pi v=1 21 f - d1Sigma+ v=0 21 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 d1Sigma+ 38 0 1 9947.5685 R(38) : b1Pi v=1 39 e - d1Sigma+ v=0 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 2 d1Sigma+ 20 0 1 9949.0693 Q(20) : b1Pi v=1 20 f - d1Sigma+ v=0 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 d1Sigma+ 37 1 1 9949.4957 R(37) : b1Pi v=1 38 e - d1Sigma+ v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 2 d1Sigma+ 19 1 1 9950.6070 Q(19) : b1Pi v=1 19 f - d1Sigma+ v=0 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 2 d1Sigma+ 10 0 1 9950.7807 P(10) : b1Pi v=1 9 e - d1Sigma+ v=0 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 d1Sigma+ 36 0 1 9951.3500 R(36) : b1Pi v=1 37 e - d1Sigma+ v=0 36 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 1 2 d1Sigma+ 18 0 1 9952.0683 Q(18) : b1Pi v=1 18 f - d1Sigma+ v=0 18 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 2 d1Sigma+ 9 1 1 9952.5654 P(9) : b1Pi v=1 8 e - d1Sigma+ v=0 9 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 d1Sigma+ 35 1 1 9953.1151 R(35) : b1Pi v=1 36 e - d1Sigma+ v=0 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 17 0 2 d1Sigma+ 17 1 1 9953.4468 Q(17) : b1Pi v=1 17 f - d1Sigma+ v=0 17 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 2 d1Sigma+ 16 0 1 9954.7584 Q(16) : b1Pi v=1 16 f - d1Sigma+ v=0 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 2 d1Sigma+ 15 1 1 9955.9808 Q(15) : b1Pi v=1 15 f - d1Sigma+ v=0 15 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 d1Sigma+ 33 1 1 9956.4298 R(33) : b1Pi v=1 34 e - d1Sigma+ v=0 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 2 d1Sigma+ 14 0 1 9957.1391 Q(14) : b1Pi v=1 14 f - d1Sigma+ v=0 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 d1Sigma+ 32 0 1 9957.9697 R(32) : b1Pi v=1 33 e - d1Sigma+ v=0 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 2 d1Sigma+ 13 1 1 9958.2161 Q(13) : b1Pi v=1 13 f - d1Sigma+ v=0 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 2 d1Sigma+ 12 0 1 9959.2147 Q(12) : b1Pi v=1 12 f - d1Sigma+ v=0 12 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 d1Sigma+ 31 1 1 9959.4233 R(31) : b1Pi v=1 32 e - d1Sigma+ v=0 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 2 d1Sigma+ 11 1 1 9960.1372 Q(11) : b1Pi v=1 11 f - d1Sigma+ v=0 11 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 d1Sigma+ 30 0 1 9960.8057 R(30) : b1Pi v=1 31 e - d1Sigma+ v=0 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 2 d1Sigma+ 10 0 1 9960.9793 Q(10) : b1Pi v=1 10 f - d1Sigma+ v=0 10 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 d1Sigma+ 29 1 1 9962.1139 R(29) : b1Pi v=1 30 e - d1Sigma+ v=0 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 2 d1Sigma+ 8 0 1 9962.4399 Q(8) : b1Pi v=1 8 f - d1Sigma+ v=0 8 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 d1Sigma+ 28 0 1 9963.3384 R(28) : b1Pi v=1 29 e - d1Sigma+ v=0 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 d1Sigma+ 27 1 1 9964.4743 R(27) : b1Pi v=1 28 e - d1Sigma+ v=0 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 2 d1Sigma+ 26 0 1 9965.5624 R(26) : b1Pi v=1 27 e - d1Sigma+ v=0 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 d1Sigma+ 25 1 1 9966.5469 R(25) : b1Pi v=1 26 e - d1Sigma+ v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 d1Sigma+ 24 0 1 9967.4654 R(24) : b1Pi v=1 25 e - d1Sigma+ v=0 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 d1Sigma+ 23 1 1 9968.3160 R(23) : b1Pi v=1 24 e - d1Sigma+ v=0 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 d1Sigma+ 22 0 1 9969.0690 R(22) : b1Pi v=1 23 e - d1Sigma+ v=0 22 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 d1Sigma+ 21 1 1 9969.7478 R(21) : b1Pi v=1 22 e - d1Sigma+ v=0 21 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 2 d1Sigma+ 20 0 1 9970.3553 R(20) : b1Pi v=1 21 e - d1Sigma+ v=0 20 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 2 d1Sigma+ 18 0 1 9971.3272 R(18) : b1Pi v=1 19 e - d1Sigma+ v=0 18 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 2 d1Sigma+ 17 1 1 9971.7114 R(17) : b1Pi v=1 18 e - d1Sigma+ v=0 17 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 3 a1Delta 61 0 4 10005.4621 Qf(61) : b1Pi v=2 61 e - a1Delta v=3 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 3 a1Delta 42 1 4 10005.4621 Pf(42) : b1Pi v=2 41 f - a1Delta v=3 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 3 a1Delta 58 1 4 10013.1321 Qf(58) : b1Pi v=2 58 e - a1Delta v=3 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 3 a1Delta 39 1 4 10013.4195 Pe(39) : b1Pi v=2 38 e - a1Delta v=3 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 3 a1Delta 39 0 4 10013.6270 Pf(39) : b1Pi v=2 38 f - a1Delta v=3 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 3 a1Delta 58 0 4 10013.6270 Qe(58) : b1Pi v=2 58 f - a1Delta v=3 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 2 a1Delta 66 0 3 10013.6270 Pe(66) : b1Pi v=1 65 e - a1Delta v=2 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 2 a1Delta 66 1 3 10014.2647 Pf(66) : b1Pi v=1 65 f - a1Delta v=2 66 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 3 a1Delta 57 0 4 10015.6115 Qf(57) : b1Pi v=2 57 e - a1Delta v=3 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 3 a1Delta 57 1 4 10016.0773 Qe(57) : b1Pi v=2 57 f - a1Delta v=3 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 3 a1Delta 38 0 4 10016.0773 Pe(38) : b1Pi v=2 37 e - a1Delta v=3 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 3 a1Delta 38 1 4 10016.2831 Pf(38) : b1Pi v=2 37 f - a1Delta v=3 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 3 a1Delta 56 1 4 10018.0586 Qf(56) : b1Pi v=2 56 e - a1Delta v=3 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 2 a1Delta 65 0 3 10018.0586 Pf(65) : b1Pi v=1 64 f - a1Delta v=2 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 3 a1Delta 55 0 4 10020.4374 Qf(55) : b1Pi v=2 55 e - a1Delta v=3 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 3 a1Delta 55 1 4 10020.8853 Qe(55) : b1Pi v=2 55 f - a1Delta v=3 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 3 a1Delta 54 1 4 10022.7731 Qf(54) : b1Pi v=2 54 e - a1Delta v=3 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 3 a1Delta 54 0 4 10023.2057 Qe(54) : b1Pi v=2 54 f - a1Delta v=3 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 3 a1Delta 52 1 4 10027.3417 Qf(52) : b1Pi v=2 52 e - a1Delta v=3 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 3 a1Delta 52 0 4 10027.7389 Qe(52) : b1Pi v=2 52 f - a1Delta v=3 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 3 a1Delta 33 0 4 10028.8852 Pf(33) : b1Pi v=2 32 f - a1Delta v=3 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 2 a1Delta 62 1 3 10029.2173 Pf(62) : b1Pi v=1 61 f - a1Delta v=2 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 3 a1Delta 51 1 4 10029.9341 Qe(51) : b1Pi v=2 51 f - a1Delta v=3 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 3 a1Delta 50 1 4 10031.7147 Qf(50) : b1Pi v=2 50 e - a1Delta v=3 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 3 a1Delta 49 0 4 10033.8479 Qf(49) : b1Pi v=2 49 e - a1Delta v=3 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 3 a1Delta 49 1 4 10034.2037 Qe(49) : b1Pi v=2 49 f - a1Delta v=3 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 3 a1Delta 29 0 4 10038.1775 Pf(29) : b1Pi v=2 28 f - a1Delta v=3 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 3 a1Delta 47 1 4 10038.2973 Qe(47) : b1Pi v=2 47 f - a1Delta v=3 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 a1Delta 59 1 3 10039.4716 Pe(59) : b1Pi v=1 58 e - a1Delta v=2 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 3 a1Delta 28 0 4 10040.2934 Pe(28) : b1Pi v=2 27 e - a1Delta v=3 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 3 a1Delta 46 0 4 10040.2934 Qe(46) : b1Pi v=2 46 f - a1Delta v=3 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 3 a1Delta 45 0 4 10041.9113 Qf(45) : b1Pi v=2 45 e - a1Delta v=3 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 3 a1Delta 45 1 4 10042.2266 Qe(45) : b1Pi v=2 45 f - a1Delta v=3 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 0 2 a1Delta 78 1 3 10042.5797 Qf(78) : b1Pi v=1 78 e - a1Delta v=2 78 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 3 a1Delta 27 0 4 10042.5797 Pf(27) : b1Pi v=2 26 f - a1Delta v=3 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 2 a1Delta 58 0 3 10042.9985 Pe(58) : b1Pi v=1 57 e - a1Delta v=2 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 3 a1Delta 44 1 4 10043.8395 Qf(44) : b1Pi v=2 44 e - a1Delta v=3 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 3 a1Delta 44 0 4 10044.1361 Qe(44) : b1Pi v=2 44 f - a1Delta v=3 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 3 a1Delta 43 1 4 10045.9654 Qe(43) : b1Pi v=2 43 f - a1Delta v=3 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 3 a1Delta 42 1 4 10047.5265 Qf(42) : b1Pi v=2 42 e - a1Delta v=3 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 3 a1Delta 42 0 4 10047.7893 Qe(42) : b1Pi v=2 42 f - a1Delta v=3 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 3 a1Delta 41 0 4 10049.2925 Qf(41) : b1Pi v=2 41 e - a1Delta v=3 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 3 a1Delta 40 1 4 10051.0358 Qf(40) : b1Pi v=2 40 e - a1Delta v=3 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 3 a1Delta 40 0 4 10051.2862 Qe(40) : b1Pi v=2 40 f - a1Delta v=3 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 3 a1Delta 22 0 4 10052.7525 Pe(22) : b1Pi v=2 21 e - a1Delta v=3 22 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 3 a1Delta 39 0 4 10052.7525 Qf(39) : b1Pi v=2 39 e - a1Delta v=3 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 3 a1Delta 39 1 4 10052.9811 Qe(39) : b1Pi v=2 39 f - a1Delta v=3 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 3 a1Delta 38 1 4 10054.3968 Qf(38) : b1Pi v=2 38 e - a1Delta v=3 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 3 a1Delta 38 0 4 10054.6121 Qe(38) : b1Pi v=2 38 f - a1Delta v=3 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 3 a1Delta 37 0 4 10055.9982 Qf(37) : b1Pi v=2 37 e - a1Delta v=3 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 3 a1Delta 37 1 4 10056.2126 Qe(37) : b1Pi v=2 37 f - a1Delta v=3 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 3 a1Delta 36 1 4 10057.5674 Qf(36) : b1Pi v=2 36 e - a1Delta v=3 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 3 a1Delta 36 0 4 10057.7726 Qe(36) : b1Pi v=2 36 f - a1Delta v=3 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 3 a1Delta 35 1 4 10059.2787 Qe(35) : b1Pi v=2 35 f - a1Delta v=3 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 3 a1Delta 34 1 4 10060.5766 Qf(34) : b1Pi v=2 34 e - a1Delta v=3 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 3 a1Delta 34 0 4 10060.7556 Qe(34) : b1Pi v=2 34 f - a1Delta v=3 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 3 a1Delta 32 1 4 10063.4162 Qf(32) : b1Pi v=2 32 e - a1Delta v=3 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 3 a1Delta 31 0 4 10064.7655 Qf(31) : b1Pi v=2 31 e - a1Delta v=3 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 3 a1Delta 31 1 4 10064.9144 Qe(31) : b1Pi v=2 31 f - a1Delta v=3 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 3 a1Delta 30 1 4 10066.0888 Qf(30) : b1Pi v=2 30 e - a1Delta v=3 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 3 a1Delta 30 0 4 10066.2146 Qe(30) : b1Pi v=2 30 f - a1Delta v=3 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 3 a1Delta 29 0 4 10067.3488 Qf(29) : b1Pi v=2 29 e - a1Delta v=3 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 3 a1Delta 29 1 4 10067.4726 Qe(29) : b1Pi v=2 29 f - a1Delta v=3 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 3 a1Delta 28 1 4 10068.5705 Qf(28) : b1Pi v=2 28 e - a1Delta v=3 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 3 a1Delta 27 0 4 10069.7683 Qf(27) : b1Pi v=2 27 e - a1Delta v=3 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 3 a1Delta 26 0 4 10071.0071 Qe(26) : b1Pi v=2 26 f - a1Delta v=3 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 2 a1Delta 63 0 3 10088.4704 Qf(63) : b1Pi v=1 63 e - a1Delta v=2 63 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 2 a1Delta 63 1 3 10089.0564 Qe(63) : b1Pi v=1 63 f - a1Delta v=2 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 a1Delta 69 1 2 10090.0203 Pe(69) : b1Pi v=0 68 e - a1Delta v=1 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 a1Delta 62 1 3 10091.1613 Qf(62) : b1Pi v=1 62 e - a1Delta v=2 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 2 a1Delta 62 0 3 10091.7475 Qe(62) : b1Pi v=1 62 f - a1Delta v=2 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 2 a1Delta 60 1 3 10096.4538 Qf(60) : b1Pi v=1 60 e - a1Delta v=2 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 a1Delta 40 1 3 10099.2928 Pf(40) : b1Pi v=1 39 f - a1Delta v=2 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 87 0 1 a1Delta 87 1 2 10099.5395 Qe(87) : b1Pi v=0 87 f - a1Delta v=1 87 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 2 a1Delta 59 1 3 10099.5395 Qe(59) : b1Pi v=1 59 f - a1Delta v=2 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 a1Delta 58 1 3 10101.5473 Qf(58) : b1Pi v=1 58 e - a1Delta v=2 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 86 1 1 a1Delta 86 0 2 10103.3144 Qe(86) : b1Pi v=0 86 f - a1Delta v=1 86 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 2 a1Delta 57 0 3 10104.0325 Qf(57) : b1Pi v=1 57 e - a1Delta v=2 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 a1Delta 38 0 3 10104.4251 Pe(38) : b1Pi v=1 37 e - a1Delta v=2 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 a1Delta 57 1 3 10104.5297 Qe(57) : b1Pi v=1 57 f - a1Delta v=2 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 38 1 3 10104.6507 Pf(38) : b1Pi v=1 37 f - a1Delta v=2 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 85 1 1 a1Delta 85 0 2 10105.9663 Qf(85) : b1Pi v=0 85 e - a1Delta v=1 85 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 1 a1Delta 65 0 2 10106.2888 Pf(65) : b1Pi v=0 64 f - a1Delta v=1 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 a1Delta 56 1 3 10106.4771 Qf(56) : b1Pi v=1 56 e - a1Delta v=2 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 2 a1Delta 56 0 3 10106.9516 Qe(56) : b1Pi v=1 56 f - a1Delta v=2 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 85 0 1 a1Delta 85 1 2 10107.0530 Qe(85) : b1Pi v=0 85 f - a1Delta v=1 85 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 37 1 3 10107.0530 Pe(37) : b1Pi v=1 36 e - a1Delta v=2 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 a1Delta 37 0 3 10107.2647 Pf(37) : b1Pi v=1 36 f - a1Delta v=2 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 2 a1Delta 55 0 3 10108.8690 Qf(55) : b1Pi v=1 55 e - a1Delta v=2 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 a1Delta 55 1 3 10109.3326 Qe(55) : b1Pi v=1 55 f - a1Delta v=2 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 a1Delta 64 0 2 10109.4431 Pe(64) : b1Pi v=0 63 e - a1Delta v=1 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 a1Delta 36 1 3 10109.8346 Pf(36) : b1Pi v=1 35 f - a1Delta v=2 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 1 a1Delta 64 1 2 10110.0619 Pf(64) : b1Pi v=0 63 f - a1Delta v=1 64 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 1 1 a1Delta 84 0 2 10110.7203 Qe(84) : b1Pi v=0 84 f - a1Delta v=1 84 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 a1Delta 54 1 3 10111.2217 Qf(54) : b1Pi v=1 54 e - a1Delta v=2 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 2 a1Delta 54 0 3 10111.6720 Qe(54) : b1Pi v=1 54 f - a1Delta v=2 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 35 0 3 10112.3650 Pf(35) : b1Pi v=1 34 f - a1Delta v=2 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 1 a1Delta 63 1 2 10113.2059 Pe(63) : b1Pi v=0 62 e - a1Delta v=1 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 1 1 a1Delta 83 0 2 10113.3327 Qf(83) : b1Pi v=0 83 e - a1Delta v=1 83 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 2 a1Delta 53 0 3 10113.5406 Qf(53) : b1Pi v=1 53 e - a1Delta v=2 53 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 1 a1Delta 63 0 2 10113.8029 Pf(63) : b1Pi v=0 62 f - a1Delta v=1 63 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 2 a1Delta 53 1 3 10113.9706 Qe(53) : b1Pi v=1 53 f - a1Delta v=2 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 0 1 a1Delta 83 1 2 10114.3584 Qe(83) : b1Pi v=0 83 f - a1Delta v=1 83 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 a1Delta 34 0 3 10114.6817 Pe(34) : b1Pi v=1 33 e - a1Delta v=2 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 a1Delta 34 1 3 10114.8419 Pf(34) : b1Pi v=1 33 f - a1Delta v=2 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 a1Delta 52 1 3 10115.8049 Qf(52) : b1Pi v=1 52 e - a1Delta v=2 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 a1Delta 52 0 3 10116.2197 Qe(52) : b1Pi v=1 52 f - a1Delta v=2 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 a1Delta 33 1 3 10117.1329 Pe(33) : b1Pi v=1 32 e - a1Delta v=2 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 33 0 3 10117.3017 Pf(33) : b1Pi v=1 32 f - a1Delta v=2 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 1 a1Delta 62 1 2 10117.4934 Pf(62) : b1Pi v=0 61 f - a1Delta v=1 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 2 a1Delta 51 0 3 10118.0257 Qf(51) : b1Pi v=1 51 e - a1Delta v=2 51 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 a1Delta 51 1 3 10118.4260 Qe(51) : b1Pi v=1 51 f - a1Delta v=2 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 a1Delta 32 0 3 10119.5500 Pe(32) : b1Pi v=1 31 e - a1Delta v=2 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 a1Delta 32 1 3 10119.7008 Pf(32) : b1Pi v=1 31 f - a1Delta v=2 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 2 a1Delta 50 1 3 10120.2013 Qf(50) : b1Pi v=1 50 e - a1Delta v=2 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 2 a1Delta 50 0 3 10120.5851 Qe(50) : b1Pi v=1 50 f - a1Delta v=2 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 a1Delta 61 1 2 10120.5851 Pe(61) : b1Pi v=0 60 e - a1Delta v=1 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 1 a1Delta 61 0 2 10121.1524 Pf(61) : b1Pi v=0 60 f - a1Delta v=1 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 1 a1Delta 81 1 2 10121.4959 Qe(81) : b1Pi v=0 81 f - a1Delta v=1 81 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 a1Delta 31 1 3 10121.9284 Pe(31) : b1Pi v=1 30 e - a1Delta v=2 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 2 a1Delta 31 0 3 10122.0584 Pf(31) : b1Pi v=1 30 f - a1Delta v=2 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 2 a1Delta 49 0 3 10122.3392 Qf(49) : b1Pi v=1 49 e - a1Delta v=2 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 2 a1Delta 49 1 3 10122.7103 Qe(49) : b1Pi v=1 49 f - a1Delta v=2 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 a1Delta 48 1 3 10124.4391 Qf(48) : b1Pi v=1 48 e - a1Delta v=2 48 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 1 a1Delta 60 1 2 10124.7887 Pf(60) : b1Pi v=0 59 f - a1Delta v=1 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 a1Delta 48 0 3 10124.7887 Qe(48) : b1Pi v=1 48 f - a1Delta v=2 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 1 1 a1Delta 80 0 2 10125.0052 Qe(80) : b1Pi v=0 80 f - a1Delta v=1 80 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 29 0 3 10126.6639 Pf(29) : b1Pi v=1 28 f - a1Delta v=2 29 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 a1Delta 47 1 3 10126.8291 Qe(47) : b1Pi v=1 47 f - a1Delta v=2 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 1 1 a1Delta 79 0 2 10127.5192 Qf(79) : b1Pi v=0 79 e - a1Delta v=1 79 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 a1Delta 59 1 2 10127.7867 Pe(59) : b1Pi v=0 58 e - a1Delta v=1 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 a1Delta 59 0 2 10128.3283 Pf(59) : b1Pi v=0 58 f - a1Delta v=1 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 a1Delta 46 1 3 10128.4733 Qf(46) : b1Pi v=1 46 e - a1Delta v=2 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 0 1 a1Delta 79 1 2 10128.4733 Qe(79) : b1Pi v=0 79 f - a1Delta v=1 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 a1Delta 45 0 3 10130.4529 Qf(45) : b1Pi v=1 45 e - a1Delta v=2 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 a1Delta 45 1 3 10130.7648 Qe(45) : b1Pi v=1 45 f - a1Delta v=2 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 a1Delta 27 1 3 10130.9638 Pe(27) : b1Pi v=1 26 e - a1Delta v=2 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 0 1 a1Delta 78 1 2 10130.9638 Qf(78) : b1Pi v=0 78 e - a1Delta v=1 78 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 a1Delta 27 0 3 10131.0822 Pf(27) : b1Pi v=1 26 f - a1Delta v=2 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 1 1 a1Delta 78 0 2 10131.8645 Qe(78) : b1Pi v=0 78 f - a1Delta v=1 78 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 1 a1Delta 58 1 2 10131.8645 Pf(58) : b1Pi v=0 57 f - a1Delta v=1 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 a1Delta 44 1 3 10132.3663 Qf(44) : b1Pi v=1 44 e - a1Delta v=2 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 2 a1Delta 44 0 3 10132.6745 Qe(44) : b1Pi v=1 44 f - a1Delta v=2 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 a1Delta 26 0 3 10133.1481 Pe(26) : b1Pi v=1 25 e - a1Delta v=2 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 74 0 2 a1Delta 73 1 3 10133.2533 Re(73) : b1Pi v=1 74 e - a1Delta v=2 73 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 25 0 2 a1Delta 26 1 3 10133.2533 Pf(26) : b1Pi v=1 25 f - a1Delta v=2 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 43 1 2 a1Delta 43 0 3 10134.2471 Qf(43) : b1Pi v=1 43 e - a1Delta v=2 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 2 a1Delta 43 1 3 10134.5393 Qe(43) : b1Pi v=1 43 f - a1Delta v=2 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 a1Delta 57 1 2 10134.8329 Pe(57) : b1Pi v=0 56 e - a1Delta v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 0 1 a1Delta 77 1 2 10135.2713 Qe(77) : b1Pi v=0 77 f - a1Delta v=1 77 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 a1Delta 25 1 3 10135.2713 Pe(25) : b1Pi v=1 24 e - a1Delta v=2 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 a1Delta 42 1 3 10136.0820 Qf(42) : b1Pi v=1 42 e - a1Delta v=2 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 a1Delta 42 0 3 10136.3575 Qe(42) : b1Pi v=1 42 f - a1Delta v=2 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 a1Delta 41 0 3 10137.8716 Qf(41) : b1Pi v=1 41 e - a1Delta v=2 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 a1Delta 41 1 3 10138.1411 Qe(41) : b1Pi v=1 41 f - a1Delta v=2 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 2 a1Delta 23 1 3 10139.3699 Pe(23) : b1Pi v=1 22 e - a1Delta v=2 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 2 a1Delta 23 0 3 10139.4352 Pf(23) : b1Pi v=1 22 f - a1Delta v=2 23 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 a1Delta 40 1 3 10139.6231 Qf(40) : b1Pi v=1 40 e - a1Delta v=2 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 a1Delta 40 0 3 10139.8654 Qe(40) : b1Pi v=1 40 f - a1Delta v=2 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 a1Delta 39 1 3 10141.5623 Qe(39) : b1Pi v=1 39 f - a1Delta v=2 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 1 a1Delta 55 1 2 10141.6984 Pe(55) : b1Pi v=0 54 e - a1Delta v=1 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 1 a1Delta 55 0 2 10142.1665 Pf(55) : b1Pi v=0 54 f - a1Delta v=1 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 a1Delta 38 1 3 10142.9847 Qf(38) : b1Pi v=1 38 e - a1Delta v=2 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 a1Delta 38 0 3 10143.2176 Qe(38) : b1Pi v=1 38 f - a1Delta v=2 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 2 a1Delta 21 1 3 10143.3012 Pe(21) : b1Pi v=1 20 e - a1Delta v=2 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 2 a1Delta 21 0 3 10143.3695 Pf(21) : b1Pi v=1 20 f - a1Delta v=2 21 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 a1Delta 37 0 3 10144.6006 Qf(37) : b1Pi v=1 37 e - a1Delta v=2 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 37 1 3 10144.8147 Qe(37) : b1Pi v=1 37 f - a1Delta v=2 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 a1Delta 54 0 2 10145.0655 Pe(54) : b1Pi v=0 53 e - a1Delta v=1 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 1 a1Delta 74 0 2 10145.0655 Qe(74) : b1Pi v=0 74 f - a1Delta v=1 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 2 a1Delta 20 0 3 10145.2094 Pe(20) : b1Pi v=1 19 e - a1Delta v=2 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 36 1 3 10146.1756 Qf(36) : b1Pi v=1 36 e - a1Delta v=2 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 a1Delta 36 0 3 10146.3778 Qe(36) : b1Pi v=1 36 f - a1Delta v=2 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 a1Delta 35 0 3 10147.7080 Qf(35) : b1Pi v=1 35 e - a1Delta v=2 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 a1Delta 35 1 3 10147.9057 Qe(35) : b1Pi v=1 35 f - a1Delta v=2 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 a1Delta 34 1 3 10149.1867 Qf(34) : b1Pi v=1 34 e - a1Delta v=2 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 34 0 3 10149.3753 Qe(34) : b1Pi v=1 34 f - a1Delta v=2 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 a1Delta 33 1 3 10150.8184 Qe(33) : b1Pi v=1 33 f - a1Delta v=2 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 1 a1Delta 72 0 2 10151.3936 Qe(72) : b1Pi v=0 72 f - a1Delta v=1 72 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 a1Delta 52 0 2 10151.6577 Pe(52) : b1Pi v=0 51 e - a1Delta v=1 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 32 0 3 10152.2026 Qe(32) : b1Pi v=1 32 f - a1Delta v=2 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 a1Delta 31 0 3 10153.4105 Qf(31) : b1Pi v=1 31 e - a1Delta v=2 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 a1Delta 31 1 3 10153.5602 Qe(31) : b1Pi v=1 31 f - a1Delta v=2 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 a1Delta 29 0 3 10155.9932 Qf(29) : b1Pi v=1 29 e - a1Delta v=2 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 a1Delta 29 1 3 10156.1276 Qe(29) : b1Pi v=1 29 f - a1Delta v=2 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 a1Delta 28 1 3 10157.2319 Qf(28) : b1Pi v=1 28 e - a1Delta v=2 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 2 a1Delta 13 0 3 10157.3657 Pf(13) : b1Pi v=1 12 f - a1Delta v=2 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 28 0 3 10157.3657 Qe(28) : b1Pi v=1 28 f - a1Delta v=2 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 0 2 a1Delta 13 1 3 10157.3657 Pe(13) : b1Pi v=1 12 e - a1Delta v=2 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 27 1 2 a1Delta 27 0 3 10158.4236 Qf(27) : b1Pi v=1 27 e - a1Delta v=2 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 11 0 2 a1Delta 12 1 3 10158.9372 Pf(12) : b1Pi v=1 11 f - a1Delta v=2 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 11 1 2 a1Delta 12 0 3 10158.9372 Pe(12) : b1Pi v=1 11 e - a1Delta v=2 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 26 0 2 a1Delta 26 1 3 10159.5601 Qf(26) : b1Pi v=1 26 e - a1Delta v=2 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 26 1 2 a1Delta 26 0 3 10159.6748 Qe(26) : b1Pi v=1 26 f - a1Delta v=2 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 69 1 1 a1Delta 69 0 2 10159.8158 Qf(69) : b1Pi v=0 69 e - a1Delta v=1 69 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 a1Delta 25 0 3 10160.6738 Qf(25) : b1Pi v=1 25 e - a1Delta v=2 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 a1Delta 25 1 3 10160.7591 Qe(25) : b1Pi v=1 25 f - a1Delta v=2 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 59 0 2 a1Delta 58 1 3 10161.6194 Rf(58) : b1Pi v=1 59 f - a1Delta v=2 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 1 a1Delta 49 0 2 10161.6194 Pf(49) : b1Pi v=0 48 f - a1Delta v=1 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 a1Delta 24 1 3 10161.7302 Qf(24) : b1Pi v=1 24 e - a1Delta v=2 24 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 a1Delta 24 0 3 10161.8163 Qe(24) : b1Pi v=1 24 f - a1Delta v=2 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 a1Delta 68 1 2 10162.8195 Qf(68) : b1Pi v=0 68 e - a1Delta v=1 68 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 a1Delta 23 1 3 10162.8195 Qe(23) : b1Pi v=1 23 f - a1Delta v=2 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 0 2 a1Delta 7 1 3 10166.1456 Pe(7) : b1Pi v=1 6 e - a1Delta v=2 7 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 2 a1Delta 7 0 3 10166.1456 Pf(7) : b1Pi v=1 6 f - a1Delta v=2 7 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 1 a1Delta 67 1 2 10166.4405 Qe(67) : b1Pi v=0 67 f - a1Delta v=1 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 2 a1Delta 19 1 3 10166.4405 Qe(19) : b1Pi v=1 19 f - a1Delta v=2 19 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 2 a1Delta 54 0 3 10166.8171 Re(54) : b1Pi v=1 55 e - a1Delta v=2 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 2 a1Delta 14 1 3 10170.0153 Qf(14) : b1Pi v=1 14 e - a1Delta v=2 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 14 1 2 a1Delta 14 0 3 10170.0153 Qe(14) : b1Pi v=1 14 f - a1Delta v=2 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 13 1 2 a1Delta 13 0 3 10170.6108 Qf(13) : b1Pi v=1 13 e - a1Delta v=2 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 13 0 2 a1Delta 13 1 3 10170.6108 Qe(13) : b1Pi v=1 13 f - a1Delta v=2 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 1 2 a1Delta 12 0 3 10171.1545 Qe(12) : b1Pi v=1 12 f - a1Delta v=2 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 2 1 2 a1Delta 3 0 3 10171.1545 Pf(3) : b1Pi v=1 2 f - a1Delta v=2 3 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 0 2 a1Delta 12 1 3 10171.1545 Qf(12) : b1Pi v=1 12 e - a1Delta v=2 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 2 0 2 a1Delta 3 1 3 10171.1545 Pe(3) : b1Pi v=1 2 e - a1Delta v=2 3 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 11 1 2 a1Delta 11 0 3 10171.6608 Qf(11) : b1Pi v=1 11 e - a1Delta v=2 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 11 0 2 a1Delta 11 1 3 10171.6608 Qe(11) : b1Pi v=1 11 f - a1Delta v=2 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 10 0 2 a1Delta 10 1 3 10172.1371 Qf(10) : b1Pi v=1 10 e - a1Delta v=2 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 10 1 2 a1Delta 10 0 3 10172.1371 Qe(10) : b1Pi v=1 10 f - a1Delta v=2 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 9 1 2 a1Delta 9 0 3 10172.5490 Qf(9) : b1Pi v=1 9 e - a1Delta v=2 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 9 0 2 a1Delta 9 1 3 10172.5490 Qe(9) : b1Pi v=1 9 f - a1Delta v=2 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 8 1 2 a1Delta 8 0 3 10172.9278 Qe(8) : b1Pi v=1 8 f - a1Delta v=2 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 8 0 2 a1Delta 8 1 3 10172.9278 Qf(8) : b1Pi v=1 8 e - a1Delta v=2 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 7 1 2 a1Delta 7 0 3 10173.2765 Qf(7) : b1Pi v=1 7 e - a1Delta v=2 7 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 7 0 2 a1Delta 7 1 3 10173.2765 Qe(7) : b1Pi v=1 7 f - a1Delta v=2 7 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 50 1 2 a1Delta 49 0 3 10173.2765 Rf(49) : b1Pi v=1 50 f - a1Delta v=2 49 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 59 1 1 a1Delta 59 0 2 10187.6892 Qf(59) : b1Pi v=0 59 e - a1Delta v=1 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 a1Delta 40 0 2 10187.6892 Pe(40) : b1Pi v=0 39 e - a1Delta v=1 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 a1Delta 40 1 2 10187.9488 Pf(40) : b1Pi v=0 39 f - a1Delta v=1 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 1 a1Delta 59 1 2 10188.2331 Qe(59) : b1Pi v=0 59 f - a1Delta v=1 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 a1Delta 58 1 2 10190.2241 Qf(58) : b1Pi v=0 58 e - a1Delta v=1 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 a1Delta 39 1 2 10190.4325 Pe(39) : b1Pi v=0 38 e - a1Delta v=1 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 a1Delta 58 0 2 10190.7519 Qe(58) : b1Pi v=0 58 f - a1Delta v=1 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 1 a1Delta 56 0 2 10195.6848 Qe(56) : b1Pi v=0 56 f - a1Delta v=1 56 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 a1Delta 55 0 2 10197.5777 Qf(55) : b1Pi v=0 55 e - a1Delta v=1 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 1 a1Delta 55 1 2 10198.0734 Qe(55) : b1Pi v=0 55 f - a1Delta v=1 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 a1Delta 35 1 2 10200.9066 Pe(35) : b1Pi v=0 34 e - a1Delta v=1 35 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 a1Delta 35 0 2 10201.1022 Pf(35) : b1Pi v=0 34 f - a1Delta v=1 35 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 a1Delta 53 0 2 10202.2795 Qf(53) : b1Pi v=0 53 e - a1Delta v=1 53 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 1 a1Delta 53 1 2 10202.7264 Qe(53) : b1Pi v=0 53 f - a1Delta v=1 53 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 a1Delta 34 0 2 10203.4193 Pe(34) : b1Pi v=0 33 e - a1Delta v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 1 a1Delta 52 1 2 10204.5584 Qf(52) : b1Pi v=0 52 e - a1Delta v=1 52 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 a1Delta 33 1 2 10205.8948 Pe(33) : b1Pi v=0 32 e - a1Delta v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 a1Delta 33 0 2 10206.0604 Pf(33) : b1Pi v=0 32 f - a1Delta v=1 33 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 a1Delta 51 0 2 10206.7931 Qf(51) : b1Pi v=0 51 e - a1Delta v=1 51 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 1 a1Delta 51 1 2 10207.2050 Qe(51) : b1Pi v=0 51 f - a1Delta v=1 51 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 a1Delta 50 1 2 10208.9692 Qf(50) : b1Pi v=0 50 e - a1Delta v=1 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 1 a1Delta 50 0 2 10209.3739 Qe(50) : b1Pi v=0 50 f - a1Delta v=1 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 a1Delta 31 1 2 10210.6977 Pe(31) : b1Pi v=0 30 e - a1Delta v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 a1Delta 49 0 2 10211.1366 Qf(49) : b1Pi v=0 49 e - a1Delta v=1 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 a1Delta 49 1 2 10211.5132 Qe(49) : b1Pi v=0 49 f - a1Delta v=1 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 a1Delta 30 0 2 10213.0495 Pe(30) : b1Pi v=0 29 e - a1Delta v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 a1Delta 44 1 2 10221.2096 Qf(44) : b1Pi v=0 44 e - a1Delta v=1 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 1 a1Delta 44 0 2 10221.5357 Qe(44) : b1Pi v=0 44 f - a1Delta v=1 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 a1Delta 43 0 2 10223.1056 Qf(43) : b1Pi v=0 43 e - a1Delta v=1 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 a1Delta 43 1 2 10223.4009 Qe(43) : b1Pi v=0 43 f - a1Delta v=1 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 a1Delta 42 1 2 10224.9291 Qf(42) : b1Pi v=0 42 e - a1Delta v=1 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 1 a1Delta 42 0 2 10225.2254 Qe(42) : b1Pi v=0 42 f - a1Delta v=1 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 1 a1Delta 41 1 2 10227.0108 Qe(41) : b1Pi v=0 41 f - a1Delta v=1 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 a1Delta 40 1 2 10228.4939 Qf(40) : b1Pi v=0 40 e - a1Delta v=1 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 1 a1Delta 40 0 2 10228.7653 Qe(40) : b1Pi v=0 40 f - a1Delta v=1 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 a1Delta 39 1 2 10230.4501 Qe(39) : b1Pi v=0 39 f - a1Delta v=1 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 a1Delta 37 0 2 10233.5127 Qf(37) : b1Pi v=0 37 e - a1Delta v=1 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 1 a1Delta 37 1 2 10233.7365 Qe(37) : b1Pi v=0 37 f - a1Delta v=1 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 a1Delta 36 1 2 10235.0873 Qf(36) : b1Pi v=0 36 e - a1Delta v=1 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 1 a1Delta 36 0 2 10235.3014 Qe(36) : b1Pi v=0 36 f - a1Delta v=1 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 a1Delta 35 0 2 10236.6276 Qf(35) : b1Pi v=0 35 e - a1Delta v=1 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 1 a1Delta 35 1 2 10236.8436 Qe(35) : b1Pi v=0 35 f - a1Delta v=1 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 a1Delta 34 1 2 10238.1320 Qf(34) : b1Pi v=0 34 e - a1Delta v=1 34 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 a1Delta 34 0 2 10238.3288 Qe(34) : b1Pi v=0 34 f - a1Delta v=1 34 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 a1Delta 33 0 2 10239.5947 Qf(33) : b1Pi v=0 33 e - a1Delta v=1 33 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 a1Delta 33 1 2 10239.7687 Qe(33) : b1Pi v=0 33 f - a1Delta v=1 33 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 a1Delta 32 1 2 10240.9982 Qf(32) : b1Pi v=0 32 e - a1Delta v=1 32 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 a1Delta 32 0 2 10241.1720 Qe(32) : b1Pi v=0 32 f - a1Delta v=1 32 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 a1Delta 31 0 2 10242.3648 Qf(31) : b1Pi v=0 31 e - a1Delta v=1 31 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 a1Delta 31 1 2 10242.5263 Qe(31) : b1Pi v=0 31 f - a1Delta v=1 31 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 a1Delta 30 1 2 10243.6933 Qf(30) : b1Pi v=0 30 e - a1Delta v=1 30 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 a1Delta 30 0 2 10243.8421 Qe(30) : b1Pi v=0 30 f - a1Delta v=1 30 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 a1Delta 29 0 2 10244.9737 Qf(29) : b1Pi v=0 29 e - a1Delta v=1 29 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 a1Delta 29 1 2 10245.1143 Qe(29) : b1Pi v=0 29 f - a1Delta v=1 29 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 a1Delta 28 1 2 10246.2151 Qf(28) : b1Pi v=0 28 e - a1Delta v=1 28 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 1 a1Delta 27 0 2 10247.4159 Qf(27) : b1Pi v=0 27 e - a1Delta v=1 27 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 a1Delta 25 0 2 10249.6714 Qf(25) : b1Pi v=0 25 e - a1Delta v=1 25 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 1 a1Delta 25 1 2 10249.7835 Qe(25) : b1Pi v=0 25 f - a1Delta v=1 25 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 a1Delta 24 1 2 10250.7379 Qf(24) : b1Pi v=0 24 e - a1Delta v=1 24 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 1 a1Delta 24 0 2 10250.8361 Qe(24) : b1Pi v=0 24 f - a1Delta v=1 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 a1Delta 23 0 2 10251.7653 Qf(23) : b1Pi v=0 23 e - a1Delta v=1 23 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 1 a1Delta 23 1 2 10251.8525 Qe(23) : b1Pi v=0 23 f - a1Delta v=1 23 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 a1Delta 22 1 2 10252.7484 Qf(22) : b1Pi v=0 22 e - a1Delta v=1 22 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 1 a1Delta 22 0 2 10252.8278 Qe(22) : b1Pi v=0 22 f - a1Delta v=1 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 a1Delta 21 0 2 10253.6879 Qf(21) : b1Pi v=0 21 e - a1Delta v=1 21 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 1 a1Delta 21 1 2 10253.7620 Qe(21) : b1Pi v=0 21 f - a1Delta v=1 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 0 1 a1Delta 20 1 2 10254.5800 Qf(20) : b1Pi v=0 20 e - a1Delta v=1 20 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 20 1 1 a1Delta 20 0 2 10254.6496 Qe(20) : b1Pi v=0 20 f - a1Delta v=1 20 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 1 a1Delta 19 0 2 10255.4332 Qf(19) : b1Pi v=0 19 e - a1Delta v=1 19 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 0 1 a1Delta 19 1 2 10255.4945 Qe(19) : b1Pi v=0 19 f - a1Delta v=1 19 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 18 0 1 a1Delta 18 1 2 10256.2434 Qf(18) : b1Pi v=0 18 e - a1Delta v=1 18 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 a1Delta 6 1 2 10256.4952 Pf(6) : b1Pi v=0 5 f - a1Delta v=1 6 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 a1Delta 6 0 2 10256.4952 Pe(6) : b1Pi v=0 5 e - a1Delta v=1 6 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 1 a1Delta 5 0 2 10257.7804 Pf(5) : b1Pi v=0 4 f - a1Delta v=1 5 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 1 a1Delta 5 1 2 10257.7804 Pe(5) : b1Pi v=0 4 e - a1Delta v=1 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 1 a1Delta 16 0 2 10257.7804 Qe(16) : b1Pi v=0 16 f - a1Delta v=1 16 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 1 1 a1Delta 4 0 2 10259.0127 Pe(4) : b1Pi v=0 3 e - a1Delta v=1 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 0 1 a1Delta 4 1 2 10259.0127 Pf(4) : b1Pi v=0 3 f - a1Delta v=1 4 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 1 a1Delta 14 1 2 10259.0587 Qf(14) : b1Pi v=0 14 e - a1Delta v=1 14 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 1 a1Delta 14 0 2 10259.0903 Qe(14) : b1Pi v=0 14 f - a1Delta v=1 14 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 a1Delta 49 1 2 10262.0017 Re(49) : b1Pi v=0 50 e - a1Delta v=1 49 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 1 a1Delta 8 0 2 10262.0017 Qe(8) : b1Pi v=0 8 f - a1Delta v=1 8 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 1 a1Delta 8 1 2 10262.0017 Qf(8) : b1Pi v=0 8 e - a1Delta v=1 8 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 1 a1Delta 7 1 2 10262.3459 Qe(7) : b1Pi v=0 7 f - a1Delta v=1 7 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 1 a1Delta 7 0 2 10262.3459 Qf(7) : b1Pi v=0 7 e - a1Delta v=1 7 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 a1Delta 5 1 2 10262.9059 Qe(5) : b1Pi v=0 5 f - a1Delta v=1 5 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 a1Delta 48 0 2 10263.1133 Re(48) : b1Pi v=0 49 e - a1Delta v=1 48 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 1 a1Delta 4 0 2 10263.1133 Qe(4) : b1Pi v=0 4 f - a1Delta v=1 4 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 1 a1Delta 4 1 2 10263.1133 Qf(4) : b1Pi v=0 4 e - a1Delta v=1 4 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 3 d1Sigma+ 15 1 1 10842.5695 P(15) : b1Pi v=2 14 e - d1Sigma+ v=0 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 3 d1Sigma+ 24 0 1 10842.9047 Q(24) : b1Pi v=2 24 f - d1Sigma+ v=0 24 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 3 d1Sigma+ 22 0 1 10846.7908 Q(22) : b1Pi v=2 22 f - d1Sigma+ v=0 22 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 3 d1Sigma+ 13 1 1 10847.0018 P(13) : b1Pi v=2 12 e - d1Sigma+ v=0 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 3 d1Sigma+ 21 1 1 10848.6158 Q(21) : b1Pi v=2 21 f - d1Sigma+ v=0 21 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 3 d1Sigma+ 15 1 1 10857.7904 Q(15) : b1Pi v=2 15 f - d1Sigma+ v=0 15 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 3 d1Sigma+ 13 1 1 10860.1929 Q(13) : b1Pi v=2 13 f - d1Sigma+ v=0 13 e : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 86 0 1 a1Delta 87 1 1 10997.2420 Pe(87) : b1Pi v=0 86 e - a1Delta v=0 87 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 105 0 1 a1Delta 105 1 1 10999.3804 Qe(105) : b1Pi v=0 105 f - a1Delta v=0 105 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 1 2 a1Delta 79 0 2 11020.3113 Qf(79) : b1Pi v=1 79 e - a1Delta v=1 79 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 a1Delta 61 0 2 11021.7079 Pf(61) : b1Pi v=1 60 f - a1Delta v=1 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 1 1 a1Delta 82 0 1 11023.1956 Pe(82) : b1Pi v=0 81 e - a1Delta v=0 82 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 1 a1Delta 82 1 1 11024.1828 Pf(82) : b1Pi v=0 81 f - a1Delta v=0 82 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 100 1 1 a1Delta 100 0 1 11025.1025 Qe(100) : b1Pi v=0 100 f - a1Delta v=0 100 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 2 a1Delta 60 1 2 11025.6753 Pf(60) : b1Pi v=1 59 f - a1Delta v=1 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 1 2 a1Delta 77 0 2 11028.0774 Qf(77) : b1Pi v=1 77 e - a1Delta v=1 77 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 0 1 a1Delta 81 1 1 11028.2113 Pe(81) : b1Pi v=0 80 e - a1Delta v=0 81 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 a1Delta 59 1 2 11029.0691 Pe(59) : b1Pi v=1 58 e - a1Delta v=1 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 1 1 a1Delta 81 0 1 11029.1864 Pf(81) : b1Pi v=0 80 f - a1Delta v=0 81 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 99 0 1 a1Delta 99 1 1 11030.0719 Qe(99) : b1Pi v=0 99 f - a1Delta v=0 99 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 0 2 a1Delta 76 1 2 11031.8469 Qf(76) : b1Pi v=1 76 e - a1Delta v=1 76 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 1 2 a1Delta 76 0 2 11032.7003 Qe(76) : b1Pi v=1 76 f - a1Delta v=1 76 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 2 a1Delta 58 0 2 11032.9428 Pe(58) : b1Pi v=1 57 e - a1Delta v=1 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 1 1 a1Delta 80 0 1 11033.2083 Pe(80) : b1Pi v=0 79 e - a1Delta v=0 80 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 a1Delta 58 1 2 11033.4417 Pf(58) : b1Pi v=1 57 f - a1Delta v=1 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 98 0 1 a1Delta 98 1 1 11033.6268 Qf(98) : b1Pi v=0 98 e - a1Delta v=0 98 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 0 1 a1Delta 80 1 1 11034.1506 Pf(80) : b1Pi v=0 79 f - a1Delta v=0 80 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 98 1 1 a1Delta 98 0 1 11035.0022 Qe(98) : b1Pi v=0 98 f - a1Delta v=0 98 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 1 2 a1Delta 75 0 2 11035.5960 Qf(75) : b1Pi v=1 75 e - a1Delta v=1 75 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 2 a1Delta 75 1 2 11036.4215 Qe(75) : b1Pi v=1 75 f - a1Delta v=1 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 a1Delta 57 1 2 11036.7726 Pe(57) : b1Pi v=1 56 e - a1Delta v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 0 1 a1Delta 79 1 1 11038.1484 Pe(79) : b1Pi v=0 78 e - a1Delta v=0 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 97 1 1 a1Delta 97 0 1 11038.5307 Qf(97) : b1Pi v=0 97 e - a1Delta v=0 97 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 1 1 a1Delta 79 0 1 11039.0629 Pf(79) : b1Pi v=0 78 f - a1Delta v=0 79 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 0 2 a1Delta 74 1 2 11039.2853 Qf(74) : b1Pi v=1 74 e - a1Delta v=1 74 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 97 0 1 a1Delta 97 1 1 11039.8786 Qe(97) : b1Pi v=0 97 f - a1Delta v=0 97 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 2 a1Delta 74 0 2 11040.0920 Qe(74) : b1Pi v=1 74 f - a1Delta v=1 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 a1Delta 56 1 2 11041.0199 Pf(56) : b1Pi v=1 55 f - a1Delta v=1 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 1 2 a1Delta 73 0 2 11042.9323 Qf(73) : b1Pi v=1 73 e - a1Delta v=1 73 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 1 1 a1Delta 78 0 1 11043.0276 Pe(78) : b1Pi v=0 77 e - a1Delta v=0 78 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 96 0 1 a1Delta 96 1 1 11043.3813 Qf(96) : b1Pi v=0 96 e - a1Delta v=0 96 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 2 a1Delta 73 1 2 11043.7209 Qe(73) : b1Pi v=1 73 f - a1Delta v=1 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 0 1 a1Delta 78 1 1 11043.9327 Pf(78) : b1Pi v=0 77 f - a1Delta v=0 78 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 a1Delta 55 1 2 11044.2837 Pe(55) : b1Pi v=1 54 e - a1Delta v=1 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 96 1 1 a1Delta 96 0 1 11044.7129 Qe(96) : b1Pi v=0 96 f - a1Delta v=0 96 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 2 a1Delta 72 1 2 11046.5298 Qf(72) : b1Pi v=1 72 e - a1Delta v=1 72 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 2 a1Delta 72 0 2 11047.2888 Qe(72) : b1Pi v=1 72 f - a1Delta v=1 72 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 0 1 a1Delta 77 1 1 11047.8716 Pe(77) : b1Pi v=0 76 e - a1Delta v=0 77 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 2 a1Delta 54 0 2 11047.9676 Pe(54) : b1Pi v=1 53 e - a1Delta v=1 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 95 1 1 a1Delta 95 0 1 11048.1798 Qf(95) : b1Pi v=0 95 e - a1Delta v=0 95 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 2 a1Delta 54 1 2 11048.3965 Pf(54) : b1Pi v=1 53 f - a1Delta v=1 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 1 1 a1Delta 77 0 1 11048.7484 Pf(77) : b1Pi v=0 76 f - a1Delta v=0 77 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 95 0 1 a1Delta 95 1 1 11049.4708 Qe(95) : b1Pi v=0 95 f - a1Delta v=0 95 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 1 2 a1Delta 71 0 2 11050.0565 Qf(71) : b1Pi v=1 71 e - a1Delta v=1 71 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 2 a1Delta 71 1 2 11050.8138 Qe(71) : b1Pi v=1 71 f - a1Delta v=1 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 a1Delta 53 1 2 11051.6039 Pe(53) : b1Pi v=1 52 e - a1Delta v=1 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 a1Delta 53 0 2 11052.0120 Pf(53) : b1Pi v=1 52 f - a1Delta v=1 53 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 1 1 a1Delta 76 0 1 11052.6587 Pe(76) : b1Pi v=0 75 e - a1Delta v=0 76 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 94 0 1 a1Delta 94 1 1 11052.9134 Qf(94) : b1Pi v=0 94 e - a1Delta v=0 94 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 1 a1Delta 76 1 1 11053.5303 Pf(76) : b1Pi v=0 75 f - a1Delta v=0 76 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 94 1 1 a1Delta 94 0 1 11054.1888 Qe(94) : b1Pi v=0 94 f - a1Delta v=0 94 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 2 a1Delta 70 0 2 11054.2843 Qe(70) : b1Pi v=1 70 f - a1Delta v=1 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 3 a1Delta 30 1 3 11054.5062 Qf(30) : b1Pi v=2 30 e - a1Delta v=2 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 3 a1Delta 30 0 3 11054.6434 Qe(30) : b1Pi v=2 30 f - a1Delta v=2 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 2 a1Delta 52 0 2 11055.1747 Pe(52) : b1Pi v=1 51 e - a1Delta v=1 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 a1Delta 52 1 2 11055.5742 Pf(52) : b1Pi v=1 51 f - a1Delta v=1 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 3 a1Delta 29 1 3 11056.1089 Qe(29) : b1Pi v=2 29 f - a1Delta v=2 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 1 2 a1Delta 69 0 2 11056.9971 Qf(69) : b1Pi v=1 69 e - a1Delta v=1 69 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 0 1 a1Delta 75 1 1 11057.3893 Pe(75) : b1Pi v=0 74 e - a1Delta v=0 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 93 1 1 a1Delta 93 0 1 11057.5981 Qf(93) : b1Pi v=0 93 e - a1Delta v=0 93 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 2 a1Delta 69 1 2 11057.7112 Qe(69) : b1Pi v=1 69 f - a1Delta v=1 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 1 a1Delta 75 0 1 11058.2339 Pf(75) : b1Pi v=0 74 f - a1Delta v=0 75 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 2 a1Delta 51 1 2 11058.7127 Pe(51) : b1Pi v=1 50 e - a1Delta v=1 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 93 0 1 a1Delta 93 1 1 11058.8404 Qe(93) : b1Pi v=0 93 f - a1Delta v=0 93 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 2 a1Delta 51 0 2 11059.0927 Pf(51) : b1Pi v=1 50 f - a1Delta v=1 51 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 2 a1Delta 68 1 2 11060.3843 Qf(68) : b1Pi v=1 68 e - a1Delta v=1 68 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 2 a1Delta 68 0 2 11061.0706 Qe(68) : b1Pi v=1 68 f - a1Delta v=1 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 3 a1Delta 25 1 3 11061.3686 Qe(25) : b1Pi v=2 25 f - a1Delta v=2 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 1 1 a1Delta 74 0 1 11062.0824 Pe(74) : b1Pi v=0 73 e - a1Delta v=0 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 92 0 1 a1Delta 92 1 1 11062.2288 Qf(92) : b1Pi v=0 92 e - a1Delta v=0 92 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 2 a1Delta 50 1 2 11062.5736 Pf(50) : b1Pi v=1 49 f - a1Delta v=1 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 1 a1Delta 74 1 1 11062.8994 Pf(74) : b1Pi v=0 73 f - a1Delta v=0 74 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 92 1 1 a1Delta 92 0 1 11063.4679 Qe(92) : b1Pi v=0 92 f - a1Delta v=0 92 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 2 a1Delta 67 0 2 11063.7188 Qf(67) : b1Pi v=1 67 e - a1Delta v=1 67 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 2 a1Delta 67 1 2 11064.3920 Qe(67) : b1Pi v=1 67 f - a1Delta v=1 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 a1Delta 49 1 2 11065.6401 Pe(49) : b1Pi v=1 48 e - a1Delta v=1 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 a1Delta 49 0 2 11065.9916 Pf(49) : b1Pi v=1 48 f - a1Delta v=1 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 1 a1Delta 73 1 1 11066.7207 Pe(73) : b1Pi v=0 72 e - a1Delta v=0 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 91 1 1 a1Delta 91 0 1 11066.8273 Qf(91) : b1Pi v=0 91 e - a1Delta v=0 91 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 2 a1Delta 66 1 2 11067.0112 Qf(66) : b1Pi v=1 66 e - a1Delta v=1 66 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 1 a1Delta 73 0 1 11067.5166 Pf(73) : b1Pi v=0 72 f - a1Delta v=0 73 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 2 a1Delta 66 0 2 11067.6607 Qe(66) : b1Pi v=1 66 f - a1Delta v=1 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 91 0 1 a1Delta 91 1 1 11068.0275 Qe(91) : b1Pi v=0 91 f - a1Delta v=0 91 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 a1Delta 48 0 2 11069.0207 Pe(48) : b1Pi v=1 47 e - a1Delta v=1 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 a1Delta 48 1 2 11069.3594 Pf(48) : b1Pi v=1 47 f - a1Delta v=1 48 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 2 a1Delta 65 0 2 11070.2460 Qf(65) : b1Pi v=1 65 e - a1Delta v=1 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 2 a1Delta 65 1 2 11070.8810 Qe(65) : b1Pi v=1 65 f - a1Delta v=1 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 3 a1Delta 15 1 3 11071.1798 Qe(15) : b1Pi v=2 15 f - a1Delta v=2 15 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 3 a1Delta 5 0 3 11071.1798 Pf(5) : b1Pi v=2 4 f - a1Delta v=2 5 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 3 a1Delta 15 0 3 11071.1798 Qf(15) : b1Pi v=2 15 e - a1Delta v=2 15 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 3 a1Delta 5 1 3 11071.1798 Pe(5) : b1Pi v=2 4 e - a1Delta v=2 5 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 1 a1Delta 72 1 1 11072.0809 Pf(72) : b1Pi v=0 71 f - a1Delta v=0 72 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 a1Delta 47 1 2 11072.3664 Pe(47) : b1Pi v=1 46 e - a1Delta v=1 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 90 1 1 a1Delta 90 0 1 11072.5450 Qe(90) : b1Pi v=0 90 f - a1Delta v=0 90 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 2 a1Delta 47 0 2 11072.6917 Pf(47) : b1Pi v=1 46 f - a1Delta v=1 47 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 3 a1Delta 12 1 3 11073.2103 Qf(12) : b1Pi v=2 12 e - a1Delta v=2 12 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 3 a1Delta 45 1 3 11073.2103 Re(45) : b1Pi v=2 46 e - a1Delta v=2 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 3 a1Delta 12 0 3 11073.2103 Qe(12) : b1Pi v=2 12 f - a1Delta v=2 12 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 2 a1Delta 64 1 2 11073.4333 Qf(64) : b1Pi v=1 64 e - a1Delta v=1 64 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 3 a1Delta 11 1 3 11073.7896 Qe(11) : b1Pi v=2 11 f - a1Delta v=2 11 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 3 a1Delta 11 0 3 11073.7896 Qf(11) : b1Pi v=2 11 e - a1Delta v=2 11 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 2 a1Delta 64 0 2 11074.0525 Qe(64) : b1Pi v=1 64 f - a1Delta v=1 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 a1Delta 46 0 2 11075.6412 Pe(46) : b1Pi v=1 45 e - a1Delta v=1 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 1 a1Delta 71 1 1 11075.8406 Pe(71) : b1Pi v=0 70 e - a1Delta v=0 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 89 1 1 a1Delta 89 0 1 11075.8406 Qf(89) : b1Pi v=0 89 e - a1Delta v=0 89 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 a1Delta 46 1 2 11075.9633 Pf(46) : b1Pi v=1 45 f - a1Delta v=1 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 88 1 2 a1Delta 87 0 2 11076.2296 Rf(87) : b1Pi v=1 88 f - a1Delta v=1 87 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 1 a1Delta 71 0 1 11076.5906 Pf(71) : b1Pi v=0 70 f - a1Delta v=0 71 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 89 0 1 a1Delta 89 1 1 11076.9907 Qe(89) : b1Pi v=0 89 f - a1Delta v=0 89 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 2 a1Delta 63 1 2 11077.1649 Qe(63) : b1Pi v=1 63 f - a1Delta v=1 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 a1Delta 45 1 2 11078.8975 Pe(45) : b1Pi v=1 44 e - a1Delta v=1 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 2 a1Delta 45 0 2 11079.1984 Pf(45) : b1Pi v=1 44 f - a1Delta v=1 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 a1Delta 62 1 2 11079.6485 Qf(62) : b1Pi v=1 62 e - a1Delta v=1 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 88 0 1 a1Delta 88 1 1 11080.2504 Qf(88) : b1Pi v=0 88 e - a1Delta v=0 88 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 1 1 a1Delta 70 0 1 11080.3354 Pe(70) : b1Pi v=0 69 e - a1Delta v=0 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 1 a1Delta 70 1 1 11081.0705 Pf(70) : b1Pi v=0 69 f - a1Delta v=0 70 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 88 1 1 a1Delta 88 0 1 11081.3969 Qe(88) : b1Pi v=0 88 f - a1Delta v=0 88 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 a1Delta 44 0 2 11082.0937 Pe(44) : b1Pi v=1 43 e - a1Delta v=1 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 2 a1Delta 44 1 2 11082.3776 Pf(44) : b1Pi v=1 43 f - a1Delta v=1 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 2 a1Delta 61 0 2 11082.6884 Qf(61) : b1Pi v=1 61 e - a1Delta v=1 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 2 a1Delta 61 1 2 11083.2483 Qe(61) : b1Pi v=1 61 f - a1Delta v=1 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 87 1 1 a1Delta 87 0 1 11084.6398 Qf(87) : b1Pi v=0 87 e - a1Delta v=0 87 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 a1Delta 69 1 1 11084.7708 Pe(69) : b1Pi v=0 68 e - a1Delta v=0 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 a1Delta 43 1 2 11085.2384 Pe(43) : b1Pi v=1 42 e - a1Delta v=1 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 1 a1Delta 69 0 1 11085.4911 Pf(69) : b1Pi v=0 68 f - a1Delta v=0 69 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 a1Delta 60 0 2 11086.2216 Qe(60) : b1Pi v=1 60 f - a1Delta v=1 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 a1Delta 42 0 2 11088.3263 Pe(42) : b1Pi v=1 41 e - a1Delta v=1 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 a1Delta 42 1 2 11088.6072 Pf(42) : b1Pi v=1 41 f - a1Delta v=1 42 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 2 a1Delta 59 0 2 11088.6072 Qf(59) : b1Pi v=1 59 e - a1Delta v=1 59 f : 770629005_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 86 0 1 a1Delta 86 1 1 11088.9599 Qf(86) : b1Pi v=0 86 e - a1Delta v=0 86 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 1 a1Delta 68 0 1 11089.1529 Pe(68) : b1Pi v=0 67 e - a1Delta v=0 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 1 a1Delta 68 1 1 11089.8534 Pf(68) : b1Pi v=0 67 f - a1Delta v=0 68 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 86 1 1 a1Delta 86 0 1 11090.0525 Qe(86) : b1Pi v=0 86 f - a1Delta v=0 86 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 a1Delta 41 1 2 11091.3674 Pe(41) : b1Pi v=1 40 e - a1Delta v=1 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 a1Delta 58 1 2 11091.4970 Qf(58) : b1Pi v=1 58 e - a1Delta v=1 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 a1Delta 41 0 2 11091.6340 Pf(41) : b1Pi v=1 40 f - a1Delta v=1 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 2 a1Delta 58 0 2 11092.0098 Qe(58) : b1Pi v=1 58 f - a1Delta v=1 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 85 1 1 a1Delta 85 0 1 11093.2299 Qf(85) : b1Pi v=0 85 e - a1Delta v=0 85 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 1 a1Delta 67 1 1 11093.5042 Pe(67) : b1Pi v=0 66 e - a1Delta v=0 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 1 a1Delta 67 0 1 11094.1776 Pf(67) : b1Pi v=0 66 f - a1Delta v=0 67 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 a1Delta 40 1 2 11094.6105 Pf(40) : b1Pi v=1 39 f - a1Delta v=1 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 a1Delta 57 1 2 11094.8277 Qe(57) : b1Pi v=1 57 f - a1Delta v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 a1Delta 56 1 2 11097.1173 Qf(56) : b1Pi v=1 56 e - a1Delta v=1 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 a1Delta 39 1 2 11097.3263 Pe(39) : b1Pi v=1 38 e - a1Delta v=1 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 0 1 a1Delta 84 1 1 11097.4543 Qf(84) : b1Pi v=0 84 e - a1Delta v=0 84 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 1 a1Delta 66 0 1 11097.7889 Pe(66) : b1Pi v=0 65 e - a1Delta v=0 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 2 a1Delta 55 0 2 11099.8511 Qf(55) : b1Pi v=1 55 e - a1Delta v=1 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 a1Delta 38 0 2 11100.2284 Pe(38) : b1Pi v=1 37 e - a1Delta v=1 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 a1Delta 55 1 2 11100.3207 Qe(55) : b1Pi v=1 55 f - a1Delta v=1 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 38 1 2 11100.4452 Pf(38) : b1Pi v=1 37 f - a1Delta v=1 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 0 2 a1Delta 79 1 2 11100.4452 Re(79) : b1Pi v=1 80 e - a1Delta v=1 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 1 1 a1Delta 83 0 1 11101.6223 Qf(83) : b1Pi v=0 83 e - a1Delta v=0 83 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 1 a1Delta 65 1 1 11102.0281 Pe(65) : b1Pi v=0 64 e - a1Delta v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 a1Delta 54 1 2 11102.5374 Qf(54) : b1Pi v=1 54 e - a1Delta v=1 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 0 1 a1Delta 83 1 1 11102.6577 Qe(83) : b1Pi v=0 83 f - a1Delta v=0 83 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 1 a1Delta 65 0 1 11102.6577 Pf(65) : b1Pi v=0 64 f - a1Delta v=0 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 2 a1Delta 54 0 2 11102.9837 Qe(54) : b1Pi v=1 54 f - a1Delta v=1 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 37 1 2 11103.0827 Pe(37) : b1Pi v=1 36 e - a1Delta v=1 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 a1Delta 37 0 2 11103.2882 Pf(37) : b1Pi v=1 36 f - a1Delta v=1 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 1 2 a1Delta 78 0 2 11103.3757 Re(78) : b1Pi v=1 79 e - a1Delta v=1 78 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 2 a1Delta 53 0 2 11105.1743 Qf(53) : b1Pi v=1 53 e - a1Delta v=1 53 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 2 a1Delta 53 1 2 11105.6078 Qe(53) : b1Pi v=1 53 f - a1Delta v=1 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 82 0 1 a1Delta 82 1 1 11105.7363 Qf(82) : b1Pi v=0 82 e - a1Delta v=0 82 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 a1Delta 36 0 2 11105.8770 Pe(36) : b1Pi v=1 35 e - a1Delta v=1 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 a1Delta 36 1 2 11106.0843 Pf(36) : b1Pi v=1 35 f - a1Delta v=1 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 a1Delta 64 0 1 11106.2230 Pe(64) : b1Pi v=0 63 e - a1Delta v=0 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 82 1 1 a1Delta 82 0 1 11106.7351 Qe(82) : b1Pi v=0 82 f - a1Delta v=0 82 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 1 a1Delta 64 1 1 11106.8438 Pf(64) : b1Pi v=0 63 f - a1Delta v=0 64 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 a1Delta 52 1 2 11107.7615 Qf(52) : b1Pi v=1 52 e - a1Delta v=1 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 a1Delta 52 0 2 11108.1754 Qe(52) : b1Pi v=1 52 f - a1Delta v=1 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 a1Delta 35 1 2 11108.6505 Pe(35) : b1Pi v=1 34 e - a1Delta v=1 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 35 0 2 11108.8299 Pf(35) : b1Pi v=1 34 f - a1Delta v=1 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 1 1 a1Delta 81 0 1 11109.8016 Qf(81) : b1Pi v=0 81 e - a1Delta v=0 81 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 a1Delta 51 1 2 11110.6908 Qe(51) : b1Pi v=1 51 f - a1Delta v=1 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 1 a1Delta 81 1 1 11110.7829 Qe(81) : b1Pi v=0 81 f - a1Delta v=0 81 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 1 a1Delta 63 0 1 11110.9670 Pf(63) : b1Pi v=0 62 f - a1Delta v=0 63 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 a1Delta 34 0 2 11111.3534 Pe(34) : b1Pi v=1 33 e - a1Delta v=1 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 a1Delta 34 1 2 11111.5305 Pf(34) : b1Pi v=1 33 f - a1Delta v=1 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 0 2 a1Delta 75 1 2 11111.8487 Re(75) : b1Pi v=1 76 e - a1Delta v=1 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 2 a1Delta 50 1 2 11112.7905 Qf(50) : b1Pi v=1 50 e - a1Delta v=1 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 2 a1Delta 50 0 2 11113.1709 Qe(50) : b1Pi v=1 50 f - a1Delta v=1 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 0 1 a1Delta 80 1 1 11113.8146 Qf(80) : b1Pi v=0 80 e - a1Delta v=0 80 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 a1Delta 33 1 2 11114.0199 Pe(33) : b1Pi v=1 32 e - a1Delta v=1 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 33 0 2 11114.1781 Pf(33) : b1Pi v=1 32 f - a1Delta v=1 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 1 a1Delta 62 0 1 11114.4546 Pe(62) : b1Pi v=0 61 e - a1Delta v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 1 2 a1Delta 74 0 2 11114.5664 Re(74) : b1Pi v=1 75 e - a1Delta v=1 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 1 1 a1Delta 80 0 1 11114.7733 Qe(80) : b1Pi v=0 80 f - a1Delta v=0 80 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 1 a1Delta 62 1 1 11115.0354 Pf(62) : b1Pi v=0 61 f - a1Delta v=0 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 2 a1Delta 49 0 2 11115.2253 Qf(49) : b1Pi v=1 49 e - a1Delta v=1 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 2 a1Delta 74 1 2 11115.3829 Rf(74) : b1Pi v=1 75 f - a1Delta v=1 74 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 2 a1Delta 49 1 2 11115.5987 Qe(49) : b1Pi v=1 49 f - a1Delta v=1 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 a1Delta 32 0 2 11116.6101 Pe(32) : b1Pi v=1 31 e - a1Delta v=1 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 a1Delta 32 1 2 11116.7911 Pf(32) : b1Pi v=1 31 f - a1Delta v=1 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 a1Delta 48 1 2 11117.6146 Qf(48) : b1Pi v=1 48 e - a1Delta v=1 48 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 1 1 a1Delta 79 0 1 11117.7781 Qf(79) : b1Pi v=0 79 e - a1Delta v=0 79 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 a1Delta 48 0 2 11117.9744 Qe(48) : b1Pi v=1 48 f - a1Delta v=1 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 a1Delta 61 1 1 11118.4943 Pe(61) : b1Pi v=0 60 e - a1Delta v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 0 1 a1Delta 79 1 1 11118.7140 Qe(79) : b1Pi v=0 79 f - a1Delta v=0 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 1 a1Delta 61 0 1 11119.0605 Pf(61) : b1Pi v=0 60 f - a1Delta v=0 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 a1Delta 31 1 2 11119.1853 Pe(31) : b1Pi v=1 30 e - a1Delta v=1 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 a1Delta 47 0 2 11119.9517 Qf(47) : b1Pi v=1 47 e - a1Delta v=1 47 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 a1Delta 47 1 2 11120.2932 Qe(47) : b1Pi v=1 47 f - a1Delta v=1 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 a1Delta 30 0 2 11121.6916 Pe(30) : b1Pi v=1 29 e - a1Delta v=1 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 0 1 a1Delta 78 1 1 11121.6916 Qf(78) : b1Pi v=0 78 e - a1Delta v=0 78 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 a1Delta 30 1 2 11121.8275 Pf(30) : b1Pi v=1 29 f - a1Delta v=1 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 a1Delta 46 1 2 11122.2382 Qf(46) : b1Pi v=1 46 e - a1Delta v=1 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 1 a1Delta 60 0 1 11122.4848 Pe(60) : b1Pi v=0 59 e - a1Delta v=0 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 78 1 1 a1Delta 78 0 1 11122.5942 Qe(78) : b1Pi v=0 78 f - a1Delta v=0 78 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 1 a1Delta 60 1 1 11123.0368 Pf(60) : b1Pi v=0 59 f - a1Delta v=0 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 2 a1Delta 71 0 2 11123.1687 Rf(71) : b1Pi v=1 72 f - a1Delta v=1 71 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 a1Delta 29 1 2 11124.1722 Pe(29) : b1Pi v=1 28 e - a1Delta v=1 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 29 0 2 11124.2963 Pf(29) : b1Pi v=1 28 f - a1Delta v=1 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 a1Delta 45 0 2 11124.4778 Qf(45) : b1Pi v=1 45 e - a1Delta v=1 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 a1Delta 45 1 2 11124.7918 Qe(45) : b1Pi v=1 45 f - a1Delta v=1 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 1 1 a1Delta 77 0 1 11125.5469 Qf(77) : b1Pi v=0 77 e - a1Delta v=0 77 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 2 a1Delta 70 1 2 11125.6703 Rf(70) : b1Pi v=1 71 f - a1Delta v=1 70 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 0 1 a1Delta 77 1 1 11126.4377 Qe(77) : b1Pi v=0 77 f - a1Delta v=0 77 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 a1Delta 28 1 2 11126.6784 Pf(28) : b1Pi v=1 27 f - a1Delta v=1 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 a1Delta 44 1 2 11126.6784 Qf(44) : b1Pi v=1 44 e - a1Delta v=1 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 a1Delta 59 0 1 11126.9659 Pf(59) : b1Pi v=0 58 f - a1Delta v=0 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 2 a1Delta 69 0 2 11128.1130 Rf(69) : b1Pi v=1 70 f - a1Delta v=1 69 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 a1Delta 43 0 2 11128.8110 Qf(43) : b1Pi v=1 43 e - a1Delta v=1 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 a1Delta 27 1 2 11128.9547 Pe(27) : b1Pi v=1 26 e - a1Delta v=1 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 2 a1Delta 43 1 2 11129.0843 Qe(43) : b1Pi v=1 43 f - a1Delta v=1 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 a1Delta 27 0 2 11129.0843 Pf(27) : b1Pi v=1 26 f - a1Delta v=1 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 0 1 a1Delta 76 1 1 11129.3565 Qf(76) : b1Pi v=0 76 e - a1Delta v=0 76 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 1 1 a1Delta 76 0 1 11130.2295 Qe(76) : b1Pi v=0 76 f - a1Delta v=0 76 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 a1Delta 58 0 1 11130.3241 Pe(58) : b1Pi v=0 57 e - a1Delta v=0 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 a1Delta 42 0 2 11131.1737 Qe(42) : b1Pi v=1 42 f - a1Delta v=1 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 a1Delta 26 0 2 11131.2819 Pe(26) : b1Pi v=1 25 e - a1Delta v=1 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 a1Delta 26 1 2 11131.3776 Pf(26) : b1Pi v=1 25 f - a1Delta v=1 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 a1Delta 41 0 2 11132.9440 Qf(41) : b1Pi v=1 41 e - a1Delta v=1 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 1 1 a1Delta 75 0 1 11133.1096 Qf(75) : b1Pi v=0 75 e - a1Delta v=0 75 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 a1Delta 41 1 2 11133.2123 Qe(41) : b1Pi v=1 41 f - a1Delta v=1 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 a1Delta 25 1 2 11133.5493 Pe(25) : b1Pi v=1 24 e - a1Delta v=1 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 a1Delta 25 0 2 11133.6473 Pf(25) : b1Pi v=1 24 f - a1Delta v=1 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 75 0 1 a1Delta 75 1 1 11133.9636 Qe(75) : b1Pi v=0 75 f - a1Delta v=0 75 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 a1Delta 57 1 1 11134.1710 Pe(57) : b1Pi v=0 56 e - a1Delta v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 2 a1Delta 66 0 2 11134.4520 Re(66) : b1Pi v=1 67 e - a1Delta v=1 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 1 a1Delta 57 0 1 11134.6678 Pf(57) : b1Pi v=0 56 f - a1Delta v=0 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 a1Delta 40 1 2 11134.9444 Qf(40) : b1Pi v=1 40 e - a1Delta v=1 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 a1Delta 40 0 2 11135.1876 Qe(40) : b1Pi v=1 40 f - a1Delta v=1 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 a1Delta 24 0 2 11135.7676 Pe(24) : b1Pi v=1 23 e - a1Delta v=1 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 a1Delta 24 1 2 11135.8608 Pf(24) : b1Pi v=1 23 f - a1Delta v=1 24 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 2 a1Delta 65 1 2 11136.6989 Re(65) : b1Pi v=1 66 e - a1Delta v=1 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 0 1 a1Delta 74 1 1 11136.8269 Qf(74) : b1Pi v=0 74 e - a1Delta v=0 74 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 2 a1Delta 65 0 2 11137.3510 Rf(65) : b1Pi v=1 66 f - a1Delta v=1 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 1 a1Delta 74 0 1 11137.6497 Qe(74) : b1Pi v=0 74 f - a1Delta v=0 74 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 a1Delta 56 0 1 11137.9641 Pe(56) : b1Pi v=0 55 e - a1Delta v=0 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 1 a1Delta 56 1 1 11138.4459 Pf(56) : b1Pi v=0 55 f - a1Delta v=0 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 a1Delta 38 1 2 11138.7784 Qf(38) : b1Pi v=1 38 e - a1Delta v=1 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 2 a1Delta 64 0 2 11138.8996 Re(64) : b1Pi v=1 65 e - a1Delta v=1 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 a1Delta 38 0 2 11139.0061 Qe(38) : b1Pi v=1 38 f - a1Delta v=1 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 1 1 a1Delta 73 0 1 11140.4750 Qf(73) : b1Pi v=0 73 e - a1Delta v=0 73 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 37 1 2 11140.8430 Qe(37) : b1Pi v=1 37 f - a1Delta v=1 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 1 a1Delta 73 1 1 11141.2889 Qe(73) : b1Pi v=0 73 f - a1Delta v=0 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 1 a1Delta 55 1 1 11141.7073 Pe(55) : b1Pi v=0 54 e - a1Delta v=0 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 1 a1Delta 55 0 1 11142.1799 Pf(55) : b1Pi v=0 54 f - a1Delta v=0 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 36 1 2 11142.4213 Qf(36) : b1Pi v=1 36 e - a1Delta v=1 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 a1Delta 36 0 2 11142.6280 Qe(36) : b1Pi v=1 36 f - a1Delta v=1 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 0 1 a1Delta 72 1 1 11144.0749 Qf(72) : b1Pi v=0 72 e - a1Delta v=0 72 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 1 a1Delta 72 0 1 11144.8687 Qe(72) : b1Pi v=0 72 f - a1Delta v=0 72 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 a1Delta 61 1 2 11145.1934 Re(61) : b1Pi v=1 62 e - a1Delta v=1 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 a1Delta 54 0 1 11145.4089 Pe(54) : b1Pi v=0 53 e - a1Delta v=0 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 1 a1Delta 54 1 1 11145.8608 Pf(54) : b1Pi v=0 53 f - a1Delta v=0 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 34 0 2 11146.0530 Qe(34) : b1Pi v=1 34 f - a1Delta v=1 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 2 a1Delta 60 0 2 11147.2009 Re(60) : b1Pi v=1 61 e - a1Delta v=1 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 a1Delta 33 0 2 11147.5130 Qf(33) : b1Pi v=1 33 e - a1Delta v=1 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 1 a1Delta 71 1 1 11148.4017 Qe(71) : b1Pi v=0 71 f - a1Delta v=0 71 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 32 0 2 11149.2853 Qe(32) : b1Pi v=1 32 f - a1Delta v=1 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 1 a1Delta 53 0 1 11149.4922 Pf(53) : b1Pi v=0 52 f - a1Delta v=0 53 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 a1Delta 59 0 2 11149.6883 Rf(59) : b1Pi v=1 60 f - a1Delta v=1 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 a1Delta 31 0 2 11150.6720 Qf(31) : b1Pi v=1 31 e - a1Delta v=1 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 a1Delta 31 1 2 11150.8261 Qe(31) : b1Pi v=1 31 f - a1Delta v=1 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 1 a1Delta 70 1 1 11151.1327 Qf(70) : b1Pi v=0 70 e - a1Delta v=0 70 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 2 a1Delta 58 1 2 11151.5610 Rf(58) : b1Pi v=1 59 f - a1Delta v=1 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 1 a1Delta 70 0 1 11151.8802 Qe(70) : b1Pi v=0 70 f - a1Delta v=0 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 a1Delta 52 0 1 11152.6542 Pe(52) : b1Pi v=0 51 e - a1Delta v=0 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 a1Delta 57 1 2 11152.8759 Re(57) : b1Pi v=1 58 e - a1Delta v=1 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 1 a1Delta 52 1 1 11153.0719 Pf(52) : b1Pi v=0 51 f - a1Delta v=0 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 a1Delta 29 0 2 11153.6397 Qf(29) : b1Pi v=1 29 e - a1Delta v=1 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 2 a1Delta 15 1 2 11153.6397 Pe(15) : b1Pi v=1 14 e - a1Delta v=1 15 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 1 1 a1Delta 69 0 1 11154.5805 Qf(69) : b1Pi v=0 69 e - a1Delta v=0 69 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 2 a1Delta 56 0 2 11154.6884 Re(56) : b1Pi v=1 57 e - a1Delta v=1 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 a1Delta 28 1 2 11155.0375 Qf(28) : b1Pi v=1 28 e - a1Delta v=1 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 28 0 2 11155.1639 Qe(28) : b1Pi v=1 28 f - a1Delta v=1 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 1 a1Delta 69 1 1 11155.3203 Qe(69) : b1Pi v=0 69 f - a1Delta v=0 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 a1Delta 51 1 1 11156.2059 Pe(51) : b1Pi v=0 50 e - a1Delta v=0 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 1 a1Delta 51 0 1 11156.6140 Pf(51) : b1Pi v=0 50 f - a1Delta v=0 51 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 2 a1Delta 55 0 2 11156.8928 Rf(55) : b1Pi v=1 56 f - a1Delta v=1 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 a1Delta 26 1 2 11157.6996 Qf(26) : b1Pi v=1 26 e - a1Delta v=1 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 a1Delta 26 0 2 11157.8114 Qe(26) : b1Pi v=1 26 f - a1Delta v=1 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 a1Delta 68 1 1 11157.9827 Qf(68) : b1Pi v=0 68 e - a1Delta v=0 68 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 1 a1Delta 68 0 1 11158.6996 Qe(68) : b1Pi v=0 68 f - a1Delta v=0 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 a1Delta 50 0 1 11159.7144 Pe(50) : b1Pi v=0 49 e - a1Delta v=0 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 a1Delta 50 1 1 11160.0963 Pf(50) : b1Pi v=0 49 f - a1Delta v=0 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 1 a1Delta 67 0 1 11161.3344 Qf(67) : b1Pi v=0 67 e - a1Delta v=0 67 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 a1Delta 23 1 2 11161.4355 Qe(23) : b1Pi v=1 23 f - a1Delta v=1 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 1 a1Delta 67 1 1 11162.0264 Qe(67) : b1Pi v=0 67 f - a1Delta v=0 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 a1Delta 51 1 2 11162.8619 Re(51) : b1Pi v=1 52 e - a1Delta v=1 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 a1Delta 49 1 1 11163.1615 Pe(49) : b1Pi v=0 48 e - a1Delta v=0 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 1 a1Delta 49 0 1 11163.5347 Pf(49) : b1Pi v=0 48 f - a1Delta v=0 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 1 a1Delta 66 1 1 11164.6263 Qf(66) : b1Pi v=0 66 e - a1Delta v=0 66 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 1 a1Delta 66 0 1 11165.3088 Qe(66) : b1Pi v=0 66 f - a1Delta v=0 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 2 a1Delta 49 1 2 11165.8017 Re(49) : b1Pi v=1 50 e - a1Delta v=1 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 a1Delta 48 0 1 11166.5653 Pe(48) : b1Pi v=0 47 e - a1Delta v=0 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 1 a1Delta 48 1 1 11166.9207 Pf(48) : b1Pi v=0 47 f - a1Delta v=0 48 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 2 a1Delta 48 0 2 11167.1957 Re(48) : b1Pi v=1 49 e - a1Delta v=1 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 1 a1Delta 65 0 1 11167.8788 Qf(65) : b1Pi v=0 65 e - a1Delta v=0 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 1 a1Delta 65 1 1 11168.5375 Qe(65) : b1Pi v=0 65 f - a1Delta v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 a1Delta 47 1 1 11169.9209 Pe(47) : b1Pi v=0 46 e - a1Delta v=0 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 1 a1Delta 47 0 1 11170.2737 Pf(47) : b1Pi v=0 46 f - a1Delta v=0 47 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 1 a1Delta 64 1 1 11171.0752 Qf(64) : b1Pi v=0 64 e - a1Delta v=0 64 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 1 a1Delta 64 0 1 11171.7196 Qe(64) : b1Pi v=0 64 f - a1Delta v=0 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 a1Delta 44 0 2 11172.2545 Re(44) : b1Pi v=1 45 e - a1Delta v=1 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 a1Delta 46 0 1 11173.2269 Pe(46) : b1Pi v=0 45 e - a1Delta v=0 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 1 a1Delta 46 1 1 11173.5580 Pf(46) : b1Pi v=0 45 f - a1Delta v=0 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 a1Delta 63 0 1 11174.2237 Qf(63) : b1Pi v=0 63 e - a1Delta v=0 63 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 1 a1Delta 63 1 1 11174.8475 Qe(63) : b1Pi v=0 63 f - a1Delta v=0 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 a1Delta 45 1 1 11176.4869 Pe(45) : b1Pi v=0 44 e - a1Delta v=0 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 1 a1Delta 45 0 1 11176.7933 Pf(45) : b1Pi v=0 44 f - a1Delta v=0 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 1 a1Delta 62 1 1 11177.3227 Qf(62) : b1Pi v=0 62 e - a1Delta v=0 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 87 0 1 a1Delta 86 1 1 11177.4537 Rf(86) : b1Pi v=0 87 f - a1Delta v=0 86 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 1 a1Delta 62 0 1 11177.9277 Qe(62) : b1Pi v=0 62 f - a1Delta v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 a1Delta 38 0 2 11178.3348 Re(38) : b1Pi v=1 39 e - a1Delta v=1 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 a1Delta 37 0 2 11179.3936 Rf(37) : b1Pi v=1 38 f - a1Delta v=1 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 a1Delta 44 0 1 11179.6885 Pe(44) : b1Pi v=0 43 e - a1Delta v=0 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 a1Delta 44 1 1 11179.9867 Pf(44) : b1Pi v=0 43 f - a1Delta v=0 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 1 a1Delta 61 0 1 11180.3702 Qf(61) : b1Pi v=0 61 e - a1Delta v=0 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 1 a1Delta 61 1 1 11180.9519 Qe(61) : b1Pi v=0 61 f - a1Delta v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 a1Delta 34 0 2 11181.3898 Re(34) : b1Pi v=1 35 e - a1Delta v=1 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 a1Delta 43 1 1 11182.8478 Pe(43) : b1Pi v=0 42 e - a1Delta v=0 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 1 a1Delta 43 0 1 11183.1426 Pf(43) : b1Pi v=0 42 f - a1Delta v=0 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 a1Delta 60 1 1 11183.3640 Qf(60) : b1Pi v=0 60 e - a1Delta v=0 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 1 a1Delta 60 0 1 11183.9399 Qe(60) : b1Pi v=0 60 f - a1Delta v=0 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 1 a1Delta 42 0 1 11185.9529 Pe(42) : b1Pi v=0 41 e - a1Delta v=0 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 0 1 a1Delta 83 1 1 11186.1090 Re(83) : b1Pi v=0 84 e - a1Delta v=0 83 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 1 a1Delta 59 0 1 11186.3076 Qf(59) : b1Pi v=0 59 e - a1Delta v=0 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 1 a1Delta 59 1 1 11186.8653 Qe(59) : b1Pi v=0 59 f - a1Delta v=0 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 84 1 1 a1Delta 83 0 1 11187.1642 Rf(83) : b1Pi v=0 84 f - a1Delta v=0 83 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 a1Delta 41 1 1 11189.0199 Pe(41) : b1Pi v=0 40 e - a1Delta v=0 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 a1Delta 58 0 1 11189.7444 Qe(58) : b1Pi v=0 58 f - a1Delta v=0 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 83 0 1 a1Delta 82 1 1 11190.2866 Rf(82) : b1Pi v=0 83 f - a1Delta v=0 82 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 a1Delta 57 0 1 11192.0486 Qf(57) : b1Pi v=0 57 e - a1Delta v=0 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 a1Delta 40 0 1 11192.0486 Pe(40) : b1Pi v=0 39 e - a1Delta v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 a1Delta 40 1 1 11192.2790 Pf(40) : b1Pi v=0 39 f - a1Delta v=0 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 1 a1Delta 57 1 1 11192.5720 Qe(57) : b1Pi v=0 57 f - a1Delta v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 82 1 1 a1Delta 81 0 1 11193.3574 Rf(81) : b1Pi v=0 82 f - a1Delta v=0 81 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 a1Delta 56 1 1 11194.8531 Qf(56) : b1Pi v=0 56 e - a1Delta v=0 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 a1Delta 39 1 1 11194.9980 Pe(39) : b1Pi v=0 38 e - a1Delta v=0 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 1 a1Delta 39 0 1 11195.2365 Pf(39) : b1Pi v=0 38 f - a1Delta v=0 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 1 a1Delta 56 0 1 11195.3575 Qe(56) : b1Pi v=0 56 f - a1Delta v=0 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 81 0 1 a1Delta 80 1 1 11196.3722 Rf(80) : b1Pi v=0 81 f - a1Delta v=0 80 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 a1Delta 55 0 1 11197.6005 Qf(55) : b1Pi v=0 55 e - a1Delta v=0 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 a1Delta 38 0 1 11197.9148 Pe(38) : b1Pi v=0 37 e - a1Delta v=0 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 80 0 1 a1Delta 79 1 1 11198.3834 Re(79) : b1Pi v=0 80 e - a1Delta v=0 79 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 1 a1Delta 54 1 1 11200.2925 Qf(54) : b1Pi v=0 54 e - a1Delta v=0 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 1 a1Delta 54 0 1 11200.7704 Qe(54) : b1Pi v=0 54 f - a1Delta v=0 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 a1Delta 37 1 1 11200.7704 Pe(37) : b1Pi v=0 36 e - a1Delta v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 1 a1Delta 37 0 1 11200.9929 Pf(37) : b1Pi v=0 36 f - a1Delta v=0 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 79 0 1 a1Delta 78 1 1 11202.2565 Rf(78) : b1Pi v=0 79 f - a1Delta v=0 78 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 a1Delta 53 0 1 11202.9410 Qf(53) : b1Pi v=0 53 e - a1Delta v=0 53 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 1 a1Delta 53 1 1 11203.3929 Qe(53) : b1Pi v=0 53 f - a1Delta v=0 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 a1Delta 36 0 1 11203.6013 Pe(36) : b1Pi v=0 35 e - a1Delta v=0 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 1 a1Delta 36 1 1 11203.8076 Pf(36) : b1Pi v=0 35 f - a1Delta v=0 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 1 a1Delta 52 1 1 11205.5382 Qf(52) : b1Pi v=0 52 e - a1Delta v=0 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 1 a1Delta 52 0 1 11205.9735 Qe(52) : b1Pi v=0 52 f - a1Delta v=0 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 1 a1Delta 35 1 1 11206.3748 Pe(35) : b1Pi v=0 34 e - a1Delta v=0 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 a1Delta 35 0 1 11206.5619 Pf(35) : b1Pi v=0 34 f - a1Delta v=0 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 77 1 1 a1Delta 76 0 1 11207.0226 Re(76) : b1Pi v=0 77 e - a1Delta v=0 76 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 a1Delta 51 0 1 11208.0857 Qf(51) : b1Pi v=0 51 e - a1Delta v=0 51 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 1 a1Delta 51 1 1 11208.5059 Qe(51) : b1Pi v=0 51 f - a1Delta v=0 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 a1Delta 34 0 1 11209.0895 Pe(34) : b1Pi v=0 33 e - a1Delta v=0 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 a1Delta 34 1 1 11209.2744 Pf(34) : b1Pi v=0 33 f - a1Delta v=0 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 a1Delta 50 1 1 11210.5813 Qf(50) : b1Pi v=0 50 e - a1Delta v=0 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 76 1 1 a1Delta 75 0 1 11210.6917 Rf(75) : b1Pi v=0 76 f - a1Delta v=0 75 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 1 a1Delta 50 0 1 11210.9872 Qe(50) : b1Pi v=0 50 f - a1Delta v=0 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 a1Delta 33 1 1 11211.7687 Pe(33) : b1Pi v=0 32 e - a1Delta v=0 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 a1Delta 33 0 1 11211.9349 Pf(33) : b1Pi v=0 32 f - a1Delta v=0 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 1 a1Delta 49 0 1 11213.0294 Qf(49) : b1Pi v=0 49 e - a1Delta v=0 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 a1Delta 49 1 1 11213.4140 Qe(49) : b1Pi v=0 49 f - a1Delta v=0 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 a1Delta 32 0 1 11214.3882 Pe(32) : b1Pi v=0 31 e - a1Delta v=0 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 a1Delta 32 1 1 11214.5529 Pf(32) : b1Pi v=0 31 f - a1Delta v=0 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 0 1 a1Delta 73 1 1 11215.2067 Re(73) : b1Pi v=0 74 e - a1Delta v=0 73 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 a1Delta 48 1 1 11215.4256 Qf(48) : b1Pi v=0 48 e - a1Delta v=0 48 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 1 a1Delta 48 0 1 11215.8026 Qe(48) : b1Pi v=0 48 f - a1Delta v=0 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 74 1 1 a1Delta 73 0 1 11216.0371 Rf(73) : b1Pi v=0 74 f - a1Delta v=0 73 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 a1Delta 31 1 1 11216.9663 Pe(31) : b1Pi v=0 30 e - a1Delta v=0 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 a1Delta 31 0 1 11217.1120 Pf(31) : b1Pi v=0 30 f - a1Delta v=0 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 a1Delta 47 0 1 11217.7804 Qf(47) : b1Pi v=0 47 e - a1Delta v=0 47 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 1 a1Delta 47 1 1 11218.1362 Qe(47) : b1Pi v=0 47 f - a1Delta v=0 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 1 a1Delta 72 1 1 11218.6451 Rf(72) : b1Pi v=0 73 f - a1Delta v=0 72 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 a1Delta 30 0 1 11219.4939 Pe(30) : b1Pi v=0 29 e - a1Delta v=0 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 a1Delta 30 1 1 11219.6314 Pf(30) : b1Pi v=0 29 f - a1Delta v=0 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 a1Delta 46 1 1 11220.0729 Qf(46) : b1Pi v=0 46 e - a1Delta v=0 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 1 a1Delta 46 0 1 11220.4133 Qe(46) : b1Pi v=0 46 f - a1Delta v=0 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 72 1 1 a1Delta 71 0 1 11221.1844 Rf(71) : b1Pi v=0 72 f - a1Delta v=0 71 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 a1Delta 29 1 1 11221.9670 Pe(29) : b1Pi v=0 28 e - a1Delta v=0 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 1 a1Delta 29 0 1 11222.1016 Pf(29) : b1Pi v=0 28 f - a1Delta v=0 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 a1Delta 45 0 1 11222.3234 Qf(45) : b1Pi v=0 45 e - a1Delta v=0 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 1 a1Delta 45 1 1 11222.6563 Qe(45) : b1Pi v=0 45 f - a1Delta v=0 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 1 1 a1Delta 70 0 1 11222.9144 Re(70) : b1Pi v=0 71 e - a1Delta v=0 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 0 1 a1Delta 70 1 1 11223.6872 Rf(70) : b1Pi v=0 71 f - a1Delta v=0 70 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 1 a1Delta 28 0 1 11224.4020 Pe(28) : b1Pi v=0 27 e - a1Delta v=0 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 1 a1Delta 28 1 1 11224.5226 Pf(28) : b1Pi v=0 27 f - a1Delta v=0 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 a1Delta 44 1 1 11224.5226 Qf(44) : b1Pi v=0 44 e - a1Delta v=0 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 1 a1Delta 44 0 1 11224.8398 Qe(44) : b1Pi v=0 44 f - a1Delta v=0 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 0 1 a1Delta 69 1 1 11225.3806 Re(69) : b1Pi v=0 70 e - a1Delta v=0 69 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 70 1 1 a1Delta 69 0 1 11226.1349 Rf(69) : b1Pi v=0 70 f - a1Delta v=0 69 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 a1Delta 43 0 1 11226.6715 Qf(43) : b1Pi v=0 43 e - a1Delta v=0 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 a1Delta 27 1 1 11226.7813 Pe(27) : b1Pi v=0 26 e - a1Delta v=0 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 1 a1Delta 27 0 1 11226.8921 Pf(27) : b1Pi v=0 26 f - a1Delta v=0 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 a1Delta 43 1 1 11226.9762 Qe(43) : b1Pi v=0 43 f - a1Delta v=0 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 1 1 a1Delta 68 0 1 11227.7930 Re(68) : b1Pi v=0 69 e - a1Delta v=0 68 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 69 0 1 a1Delta 68 1 1 11228.5241 Rf(68) : b1Pi v=0 69 f - a1Delta v=0 68 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 a1Delta 42 1 1 11228.7719 Qf(42) : b1Pi v=0 42 e - a1Delta v=0 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 1 a1Delta 42 0 1 11229.0772 Qe(42) : b1Pi v=0 42 f - a1Delta v=0 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 1 a1Delta 26 1 1 11229.2172 Pf(26) : b1Pi v=0 25 f - a1Delta v=0 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 1 a1Delta 67 1 1 11230.1575 Re(67) : b1Pi v=0 68 e - a1Delta v=0 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 1 a1Delta 41 0 1 11230.8296 Qf(41) : b1Pi v=0 41 e - a1Delta v=0 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 1 a1Delta 41 1 1 11231.1012 Qe(41) : b1Pi v=0 41 f - a1Delta v=0 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 a1Delta 25 1 1 11231.4057 Pe(25) : b1Pi v=0 24 e - a1Delta v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 1 a1Delta 25 0 1 11231.4901 Pf(25) : b1Pi v=0 24 f - a1Delta v=0 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 1 a1Delta 66 0 1 11232.4669 Re(66) : b1Pi v=0 67 e - a1Delta v=0 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 a1Delta 40 1 1 11232.8258 Qf(40) : b1Pi v=0 40 e - a1Delta v=0 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 1 a1Delta 40 0 1 11233.0941 Qe(40) : b1Pi v=0 40 f - a1Delta v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 a1Delta 24 0 1 11233.6300 Pe(24) : b1Pi v=0 23 e - a1Delta v=0 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 1 a1Delta 24 1 1 11233.7227 Pf(24) : b1Pi v=0 23 f - a1Delta v=0 24 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 a1Delta 39 0 1 11234.7713 Qf(39) : b1Pi v=0 39 e - a1Delta v=0 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 a1Delta 39 1 1 11235.0309 Qe(39) : b1Pi v=0 39 f - a1Delta v=0 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 1 a1Delta 65 0 1 11235.3978 Rf(65) : b1Pi v=0 66 f - a1Delta v=0 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 a1Delta 23 1 1 11235.8205 Pe(23) : b1Pi v=0 22 e - a1Delta v=0 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 1 a1Delta 23 0 1 11235.9016 Pf(23) : b1Pi v=0 22 f - a1Delta v=0 23 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 a1Delta 38 1 1 11236.6811 Qf(38) : b1Pi v=0 38 e - a1Delta v=0 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 1 a1Delta 38 0 1 11236.9233 Qe(38) : b1Pi v=0 38 f - a1Delta v=0 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 1 a1Delta 64 1 1 11237.5887 Rf(64) : b1Pi v=0 65 f - a1Delta v=0 64 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 a1Delta 22 0 1 11237.9578 Pe(22) : b1Pi v=0 21 e - a1Delta v=0 22 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 1 a1Delta 22 1 1 11238.0384 Pf(22) : b1Pi v=0 21 f - a1Delta v=0 22 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 a1Delta 37 0 1 11238.5364 Qf(37) : b1Pi v=0 37 e - a1Delta v=0 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 1 a1Delta 37 1 1 11238.7629 Qe(37) : b1Pi v=0 37 f - a1Delta v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 1 a1Delta 63 1 1 11239.0838 Re(63) : b1Pi v=0 64 e - a1Delta v=0 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 1 a1Delta 63 0 1 11239.7345 Rf(63) : b1Pi v=0 64 f - a1Delta v=0 63 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 a1Delta 36 1 1 11240.3413 Qf(36) : b1Pi v=0 36 e - a1Delta v=0 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 1 a1Delta 36 0 1 11240.5569 Qe(36) : b1Pi v=0 36 f - a1Delta v=0 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 1 a1Delta 62 0 1 11241.1937 Re(62) : b1Pi v=0 63 e - a1Delta v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 0 1 a1Delta 62 1 1 11241.8112 Rf(62) : b1Pi v=0 63 f - a1Delta v=0 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 a1Delta 35 0 1 11242.1003 Qf(35) : b1Pi v=0 35 e - a1Delta v=0 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 19 1 1 a1Delta 20 0 1 11242.1003 Pe(20) : b1Pi v=0 19 e - a1Delta v=0 20 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 1 a1Delta 35 1 1 11242.3006 Qe(35) : b1Pi v=0 35 f - a1Delta v=0 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 1 a1Delta 61 1 1 11243.2498 Re(61) : b1Pi v=0 62 e - a1Delta v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 a1Delta 34 0 1 11243.9975 Qe(34) : b1Pi v=0 34 f - a1Delta v=0 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 1 a1Delta 60 0 1 11245.2435 Re(60) : b1Pi v=0 61 e - a1Delta v=0 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 1 a1Delta 33 0 1 11245.4601 Qf(33) : b1Pi v=0 33 e - a1Delta v=0 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 a1Delta 33 1 1 11245.6425 Qe(33) : b1Pi v=0 33 f - a1Delta v=0 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 1 a1Delta 60 1 1 11245.8355 Rf(60) : b1Pi v=0 61 f - a1Delta v=0 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 1 a1Delta 32 1 1 11247.0681 Qf(32) : b1Pi v=0 32 e - a1Delta v=0 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 1 a1Delta 59 1 1 11247.2316 Re(59) : b1Pi v=0 60 e - a1Delta v=0 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 a1Delta 32 0 1 11247.2316 Qe(32) : b1Pi v=0 32 f - a1Delta v=0 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 1 a1Delta 31 0 1 11248.6274 Qf(31) : b1Pi v=0 31 e - a1Delta v=0 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 a1Delta 31 1 1 11248.7888 Qe(31) : b1Pi v=0 31 f - a1Delta v=0 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 1 a1Delta 58 0 1 11249.0936 Re(58) : b1Pi v=0 59 e - a1Delta v=0 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 1 a1Delta 58 1 1 11249.6491 Rf(58) : b1Pi v=0 59 f - a1Delta v=0 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 1 a1Delta 16 1 1 11249.7991 Pf(16) : b1Pi v=0 15 f - a1Delta v=0 16 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 1 a1Delta 16 0 1 11249.7991 Pe(16) : b1Pi v=0 15 e - a1Delta v=0 16 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 1 a1Delta 30 1 1 11250.1407 Qf(30) : b1Pi v=0 30 e - a1Delta v=0 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 a1Delta 30 0 1 11250.2856 Qe(30) : b1Pi v=0 30 f - a1Delta v=0 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 a1Delta 57 1 1 11250.9477 Re(57) : b1Pi v=0 58 e - a1Delta v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 1 a1Delta 57 1 1 11250.9479 Re(57) : b1Pi v=0 58 e - a1Delta v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 1 a1Delta 57 0 1 11251.4820 Rf(57) : b1Pi v=0 58 f - a1Delta v=0 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 1 a1Delta 15 0 1 11251.5992 Pf(15) : b1Pi v=0 14 f - a1Delta v=0 15 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 1 a1Delta 29 0 1 11251.5992 Qf(29) : b1Pi v=0 29 e - a1Delta v=0 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 1 a1Delta 15 1 1 11251.5992 Pe(15) : b1Pi v=0 14 e - a1Delta v=0 15 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 a1Delta 29 1 1 11251.7390 Qe(29) : b1Pi v=0 29 f - a1Delta v=0 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 1 a1Delta 56 0 1 11252.7424 Re(56) : b1Pi v=0 57 e - a1Delta v=0 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 1 a1Delta 28 1 1 11253.0162 Qf(28) : b1Pi v=0 28 e - a1Delta v=0 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 1 a1Delta 28 0 1 11253.1415 Qe(28) : b1Pi v=0 28 f - a1Delta v=0 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 1 a1Delta 56 1 1 11253.2626 Rf(56) : b1Pi v=0 57 f - a1Delta v=0 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 1 a1Delta 14 0 1 11253.3429 Pe(14) : b1Pi v=0 13 e - a1Delta v=0 14 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 1 a1Delta 14 1 1 11253.3429 Pf(14) : b1Pi v=0 13 f - a1Delta v=0 14 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 1 a1Delta 27 0 1 11254.3768 Qf(27) : b1Pi v=0 27 e - a1Delta v=0 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 1 a1Delta 27 1 1 11254.4960 Qe(27) : b1Pi v=0 27 f - a1Delta v=0 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 1 a1Delta 55 1 1 11254.4960 Re(55) : b1Pi v=0 56 e - a1Delta v=0 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 1 a1Delta 26 1 1 11255.6868 Qf(26) : b1Pi v=0 26 e - a1Delta v=0 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 1 a1Delta 26 0 1 11255.8031 Qe(26) : b1Pi v=0 26 f - a1Delta v=0 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 1 a1Delta 54 0 1 11256.1869 Re(54) : b1Pi v=0 55 e - a1Delta v=0 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 1 a1Delta 12 1 1 11256.6810 Pf(12) : b1Pi v=0 11 f - a1Delta v=0 12 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 1 a1Delta 54 1 1 11256.6810 Rf(54) : b1Pi v=0 55 f - a1Delta v=0 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 1 a1Delta 12 0 1 11256.6810 Pe(12) : b1Pi v=0 11 e - a1Delta v=0 12 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 1 a1Delta 25 0 1 11256.9526 Qf(25) : b1Pi v=0 25 e - a1Delta v=0 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 1 a1Delta 25 1 1 11257.0619 Qe(25) : b1Pi v=0 25 f - a1Delta v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 1 a1Delta 24 1 1 11258.1678 Qf(24) : b1Pi v=0 24 e - a1Delta v=0 24 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 1 a1Delta 11 1 1 11258.2862 Pe(11) : b1Pi v=0 10 e - a1Delta v=0 11 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 1 a1Delta 53 0 1 11258.2862 Rf(53) : b1Pi v=0 54 f - a1Delta v=0 53 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 1 a1Delta 24 0 1 11258.2862 Qe(24) : b1Pi v=0 24 f - a1Delta v=0 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 1 a1Delta 11 0 1 11258.2862 Pf(11) : b1Pi v=0 10 f - a1Delta v=0 11 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 1 a1Delta 23 0 1 11259.3386 Qf(23) : b1Pi v=0 23 e - a1Delta v=0 23 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 1 1 a1Delta 52 0 1 11259.4297 Re(52) : b1Pi v=0 53 e - a1Delta v=0 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 1 a1Delta 23 1 1 11259.4297 Qe(23) : b1Pi v=0 23 f - a1Delta v=0 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 1 a1Delta 10 0 1 11259.8632 Pe(10) : b1Pi v=0 9 e - a1Delta v=0 10 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 1 a1Delta 52 1 1 11259.8632 Rf(52) : b1Pi v=0 53 f - a1Delta v=0 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 1 a1Delta 10 1 1 11259.8632 Pf(10) : b1Pi v=0 9 f - a1Delta v=0 10 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 0 1 a1Delta 22 1 1 11260.4612 Qf(22) : b1Pi v=0 22 e - a1Delta v=0 22 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 22 1 1 a1Delta 22 0 1 11260.5389 Qe(22) : b1Pi v=0 22 f - a1Delta v=0 22 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 1 1 a1Delta 21 0 1 11261.5381 Qf(21) : b1Pi v=0 21 e - a1Delta v=0 21 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 21 0 1 a1Delta 21 1 1 11261.5928 Qe(21) : b1Pi v=0 21 f - a1Delta v=0 21 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 1 a1Delta 50 0 1 11262.4633 Re(50) : b1Pi v=0 51 e - a1Delta v=0 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 1 a1Delta 49 1 1 11263.9045 Re(49) : b1Pi v=0 50 e - a1Delta v=0 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 1 a1Delta 49 0 1 11264.3017 Rf(49) : b1Pi v=0 50 f - a1Delta v=0 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 a1Delta 6 1 1 11265.5919 Pf(6) : b1Pi v=0 5 f - a1Delta v=0 6 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 a1Delta 6 0 1 11265.5919 Pe(6) : b1Pi v=0 5 e - a1Delta v=0 6 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 1 a1Delta 48 1 1 11265.6869 Rf(48) : b1Pi v=0 49 f - a1Delta v=0 48 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 1 1 a1Delta 16 0 1 11266.1688 Qe(16) : b1Pi v=0 16 f - a1Delta v=0 16 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 1 a1Delta 16 1 1 11266.1688 Qf(16) : b1Pi v=0 16 e - a1Delta v=0 16 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 a1Delta 47 1 1 11266.6415 Re(47) : b1Pi v=0 48 e - a1Delta v=0 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 1 a1Delta 47 1 1 11266.6415 Re(47) : b1Pi v=0 48 e - a1Delta v=0 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 1 1 a1Delta 14 0 1 11267.6709 Qe(14) : b1Pi v=0 14 f - a1Delta v=0 14 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 14 0 1 a1Delta 14 1 1 11267.6709 Qf(14) : b1Pi v=0 14 e - a1Delta v=0 14 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 1 a1Delta 46 0 1 11267.9352 Re(46) : b1Pi v=0 47 e - a1Delta v=0 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 1 1 a1Delta 4 0 1 11268.1756 Pe(4) : b1Pi v=0 3 e - a1Delta v=0 4 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 0 1 a1Delta 4 1 1 11268.1756 Pf(4) : b1Pi v=0 3 f - a1Delta v=0 4 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 1 1 a1Delta 12 0 1 11268.9782 Qe(12) : b1Pi v=0 12 f - a1Delta v=0 12 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 12 0 1 a1Delta 12 1 1 11268.9782 Qf(12) : b1Pi v=0 12 e - a1Delta v=0 12 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 1 a1Delta 45 1 1 11269.1786 Re(45) : b1Pi v=0 46 e - a1Delta v=0 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 2 0 1 a1Delta 3 1 1 11269.3997 Pe(3) : b1Pi v=0 2 e - a1Delta v=0 3 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 2 1 1 a1Delta 3 0 1 11269.3997 Pf(3) : b1Pi v=0 2 f - a1Delta v=0 3 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 1 1 a1Delta 11 0 1 11269.5471 Qf(11) : b1Pi v=0 11 e - a1Delta v=0 11 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 11 0 1 a1Delta 11 1 1 11269.5471 Qe(11) : b1Pi v=0 11 f - a1Delta v=0 11 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 1 a1Delta 45 0 1 11269.5471 Rf(45) : b1Pi v=0 46 f - a1Delta v=0 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 1 a1Delta 10 1 1 11270.0943 Qf(10) : b1Pi v=0 10 e - a1Delta v=0 10 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 1 a1Delta 10 0 1 11270.0943 Qe(10) : b1Pi v=0 10 f - a1Delta v=0 10 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 1 a1Delta 44 0 1 11270.3577 Re(44) : b1Pi v=0 45 e - a1Delta v=0 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 1 a1Delta 44 1 1 11270.6946 Rf(44) : b1Pi v=0 45 f - a1Delta v=0 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 1 1 a1Delta 8 0 1 11271.0136 Qe(8) : b1Pi v=0 8 f - a1Delta v=0 8 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 8 0 1 a1Delta 8 1 1 11271.0136 Qf(8) : b1Pi v=0 8 e - a1Delta v=0 8 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 1 a1Delta 7 1 1 11271.3992 Qe(7) : b1Pi v=0 7 f - a1Delta v=0 7 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 1 a1Delta 7 0 1 11271.3992 Qf(7) : b1Pi v=0 7 e - a1Delta v=0 7 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 1 a1Delta 43 1 1 11271.5109 Re(43) : b1Pi v=0 44 e - a1Delta v=0 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 1 1 a1Delta 6 0 1 11271.7342 Qe(6) : b1Pi v=0 6 f - a1Delta v=0 6 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 6 0 1 a1Delta 6 1 1 11271.7342 Qf(6) : b1Pi v=0 6 e - a1Delta v=0 6 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 1 a1Delta 43 0 1 11271.8181 Rf(43) : b1Pi v=0 44 f - a1Delta v=0 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 a1Delta 5 0 1 11272.0306 Qf(5) : b1Pi v=0 5 e - a1Delta v=0 5 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 a1Delta 5 1 1 11272.0306 Qe(5) : b1Pi v=0 5 f - a1Delta v=0 5 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 1 a1Delta 4 0 1 11272.2739 Qe(4) : b1Pi v=0 4 f - a1Delta v=0 4 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 1 a1Delta 4 1 1 11272.2739 Qf(4) : b1Pi v=0 4 e - a1Delta v=0 4 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 0 1 a1Delta 3 1 1 11272.4751 Qe(3) : b1Pi v=0 3 f - a1Delta v=0 3 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 3 1 1 a1Delta 3 0 1 11272.4751 Qf(3) : b1Pi v=0 3 e - a1Delta v=0 3 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 1 a1Delta 42 0 1 11272.5996 Re(42) : b1Pi v=0 43 e - a1Delta v=0 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 1 a1Delta 42 1 1 11272.8969 Rf(42) : b1Pi v=0 43 f - a1Delta v=0 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 1 a1Delta 41 1 1 11273.6405 Re(41) : b1Pi v=0 42 e - a1Delta v=0 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 1 a1Delta 41 0 1 11273.9275 Rf(41) : b1Pi v=0 42 f - a1Delta v=0 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 1 a1Delta 40 0 1 11274.6307 Re(40) : b1Pi v=0 41 e - a1Delta v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 1 a1Delta 40 1 1 11274.9050 Rf(40) : b1Pi v=0 41 f - a1Delta v=0 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 1 a1Delta 39 1 1 11275.5726 Re(39) : b1Pi v=0 40 e - a1Delta v=0 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 1 a1Delta 39 0 1 11275.8336 Rf(39) : b1Pi v=0 40 f - a1Delta v=0 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 1 a1Delta 38 0 1 11276.4651 Re(38) : b1Pi v=0 39 e - a1Delta v=0 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 1 a1Delta 3 0 1 11276.5757 Rf(3) : b1Pi v=0 4 f - a1Delta v=0 3 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 1 a1Delta 3 1 1 11276.5757 Re(3) : b1Pi v=0 4 e - a1Delta v=0 3 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 1 a1Delta 38 1 1 11276.7095 Rf(38) : b1Pi v=0 39 f - a1Delta v=0 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 1 a1Delta 37 1 1 11277.3058 Re(37) : b1Pi v=0 38 e - a1Delta v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 1 1 a1Delta 4 0 1 11277.4133 Re(4) : b1Pi v=0 5 e - a1Delta v=0 4 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 5 0 1 a1Delta 4 1 1 11277.4133 Rf(4) : b1Pi v=0 5 f - a1Delta v=0 4 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 1 a1Delta 37 0 1 11277.5416 Rf(37) : b1Pi v=0 38 f - a1Delta v=0 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 1 a1Delta 36 0 1 11278.0992 Re(36) : b1Pi v=0 37 e - a1Delta v=0 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 1 a1Delta 36 1 1 11278.3185 Rf(36) : b1Pi v=0 37 f - a1Delta v=0 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 1 a1Delta 35 1 1 11278.8435 Re(35) : b1Pi v=0 36 e - a1Delta v=0 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 1 a1Delta 35 0 1 11279.0496 Rf(35) : b1Pi v=0 36 f - a1Delta v=0 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 1 a1Delta 34 0 1 11279.5393 Re(34) : b1Pi v=0 35 e - a1Delta v=0 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 1 a1Delta 34 1 1 11279.7316 Rf(34) : b1Pi v=0 35 f - a1Delta v=0 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 1 a1Delta 33 0 1 11280.3625 Rf(33) : b1Pi v=0 34 f - a1Delta v=0 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 1 a1Delta 32 1 1 11280.9470 Rf(32) : b1Pi v=0 33 f - a1Delta v=0 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 1 a1Delta 31 0 1 11281.4778 Rf(31) : b1Pi v=0 32 f - a1Delta v=0 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 1 a1Delta 30 1 1 11281.9607 Rf(30) : b1Pi v=0 31 f - a1Delta v=0 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 1 a1Delta 29 0 1 11282.3880 Rf(29) : b1Pi v=0 30 f - a1Delta v=0 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 1 a1Delta 28 1 1 11282.7764 Rf(28) : b1Pi v=0 29 f - a1Delta v=0 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 1 a1Delta 27 0 1 11283.1132 Rf(27) : b1Pi v=0 28 f - a1Delta v=0 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 1 a1Delta 26 1 1 11283.4053 Rf(26) : b1Pi v=0 27 f - a1Delta v=0 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 1 2 a1Delta 65 0 1 12066.6304 Qf(65) : b1Pi v=1 65 e - a1Delta v=0 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 65 0 2 a1Delta 65 1 1 12067.2515 Qe(65) : b1Pi v=1 65 f - a1Delta v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 a1Delta 49 0 1 12067.9074 Pf(49) : b1Pi v=1 48 f - a1Delta v=0 49 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 2 a1Delta 64 0 1 12070.8306 Qe(64) : b1Pi v=1 64 f - a1Delta v=0 64 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 a1Delta 48 0 1 12071.2261 Pe(48) : b1Pi v=1 47 e - a1Delta v=0 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 3 a1Delta 13 1 2 12072.2733 Qe(13) : b1Pi v=2 13 f - a1Delta v=1 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 13 1 3 a1Delta 13 0 2 12072.2733 Qf(13) : b1Pi v=2 13 e - a1Delta v=1 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 42 1 3 a1Delta 41 0 2 12072.9788 Rf(41) : b1Pi v=2 42 f - a1Delta v=1 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 0 3 a1Delta 12 1 2 12072.9788 Qf(12) : b1Pi v=2 12 e - a1Delta v=1 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 1 3 a1Delta 12 0 2 12072.9788 Qe(12) : b1Pi v=2 12 f - a1Delta v=1 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 41 0 3 a1Delta 40 1 2 12074.2189 Rf(40) : b1Pi v=2 41 f - a1Delta v=1 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 10 0 3 a1Delta 10 1 2 12074.2189 Qf(10) : b1Pi v=2 10 e - a1Delta v=1 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 10 1 3 a1Delta 10 0 2 12074.2189 Qe(10) : b1Pi v=2 10 f - a1Delta v=1 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 63 0 2 a1Delta 63 1 1 12074.3163 Qe(63) : b1Pi v=1 63 f - a1Delta v=0 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 a1Delta 62 1 1 12077.1994 Qf(62) : b1Pi v=1 62 e - a1Delta v=0 62 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 2 a1Delta 62 0 1 12077.7672 Qe(62) : b1Pi v=1 62 f - a1Delta v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 a1Delta 46 1 1 12078.7319 Pf(46) : b1Pi v=1 45 f - a1Delta v=0 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 1 2 a1Delta 61 0 1 12080.5964 Qf(61) : b1Pi v=1 61 e - a1Delta v=0 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 61 0 2 a1Delta 61 1 1 12081.1646 Qe(61) : b1Pi v=1 61 f - a1Delta v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 a1Delta 45 1 1 12081.9463 Pe(45) : b1Pi v=1 44 e - a1Delta v=0 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 0 2 a1Delta 60 1 1 12083.9436 Qf(60) : b1Pi v=1 60 e - a1Delta v=0 60 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 a1Delta 60 0 1 12084.4827 Qe(60) : b1Pi v=1 60 f - a1Delta v=0 60 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 1 2 a1Delta 59 0 1 12087.2319 Qf(59) : b1Pi v=1 59 e - a1Delta v=0 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 59 0 2 a1Delta 59 1 1 12087.7689 Qe(59) : b1Pi v=1 59 f - a1Delta v=0 59 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 a1Delta 43 1 1 12088.8017 Pe(43) : b1Pi v=1 42 e - a1Delta v=0 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 a1Delta 43 0 1 12089.0946 Pf(43) : b1Pi v=1 42 f - a1Delta v=0 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 0 2 a1Delta 58 1 1 12090.4863 Qf(58) : b1Pi v=1 58 e - a1Delta v=0 58 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 2 a1Delta 58 0 1 12090.9962 Qe(58) : b1Pi v=1 58 f - a1Delta v=0 58 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 a1Delta 42 0 1 12092.1698 Pe(42) : b1Pi v=1 41 e - a1Delta v=0 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 a1Delta 42 1 1 12092.4237 Pf(42) : b1Pi v=1 41 f - a1Delta v=0 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 1 2 a1Delta 57 0 1 12093.6474 Qf(57) : b1Pi v=1 57 e - a1Delta v=0 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 57 0 2 a1Delta 57 1 1 12094.1551 Qe(57) : b1Pi v=1 57 f - a1Delta v=0 57 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 a1Delta 41 1 1 12095.4589 Pe(41) : b1Pi v=1 40 e - a1Delta v=0 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 a1Delta 41 0 1 12095.7116 Pf(41) : b1Pi v=1 40 f - a1Delta v=0 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 0 2 a1Delta 56 1 1 12096.8016 Qf(56) : b1Pi v=1 56 e - a1Delta v=0 56 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 2 a1Delta 56 0 1 12097.2871 Qe(56) : b1Pi v=1 56 f - a1Delta v=0 56 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 a1Delta 40 0 1 12098.7089 Pe(40) : b1Pi v=1 39 e - a1Delta v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 1 2 a1Delta 55 0 1 12099.8694 Qf(55) : b1Pi v=1 55 e - a1Delta v=0 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 a1Delta 55 1 1 12100.3347 Qe(55) : b1Pi v=1 55 f - a1Delta v=0 55 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 a1Delta 39 0 1 12102.1299 Pf(39) : b1Pi v=1 38 f - a1Delta v=0 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 a1Delta 54 1 1 12102.8982 Qf(54) : b1Pi v=1 54 e - a1Delta v=0 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 1 2 a1Delta 54 0 1 12103.3318 Qe(54) : b1Pi v=1 54 f - a1Delta v=0 54 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 a1Delta 38 0 1 12105.0436 Pe(38) : b1Pi v=1 37 e - a1Delta v=0 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 38 1 1 12105.2512 Pf(38) : b1Pi v=1 37 f - a1Delta v=0 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 53 0 2 a1Delta 53 1 1 12106.2771 Qe(53) : b1Pi v=1 53 f - a1Delta v=0 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 37 1 1 12108.1122 Pe(37) : b1Pi v=1 36 e - a1Delta v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 a1Delta 37 0 1 12108.3212 Pf(37) : b1Pi v=1 36 f - a1Delta v=0 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 0 2 a1Delta 52 1 1 12108.7328 Qf(52) : b1Pi v=1 52 e - a1Delta v=0 52 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 a1Delta 52 0 1 12109.1654 Qe(52) : b1Pi v=1 52 f - a1Delta v=0 52 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 1 2 a1Delta 51 0 1 12111.5936 Qf(51) : b1Pi v=1 51 e - a1Delta v=0 51 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 a1Delta 51 1 1 12111.9937 Qe(51) : b1Pi v=1 51 f - a1Delta v=0 51 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 1 2 a1Delta 72 0 1 12113.3228 Re(72) : b1Pi v=1 73 e - a1Delta v=0 72 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 a1Delta 35 1 1 12114.0991 Pe(35) : b1Pi v=1 34 e - a1Delta v=0 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 73 0 2 a1Delta 72 1 1 12114.0991 Rf(72) : b1Pi v=1 73 f - a1Delta v=0 72 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 35 0 1 12114.2851 Pf(35) : b1Pi v=1 34 f - a1Delta v=0 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 0 2 a1Delta 50 1 1 12114.3892 Qf(50) : b1Pi v=1 50 e - a1Delta v=0 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 50 1 2 a1Delta 50 0 1 12114.7783 Qe(50) : b1Pi v=1 50 f - a1Delta v=0 50 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 0 2 a1Delta 49 1 1 12117.5002 Qe(49) : b1Pi v=1 49 f - a1Delta v=0 49 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 71 1 2 a1Delta 70 0 1 12119.2423 Re(70) : b1Pi v=1 71 e - a1Delta v=0 70 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 a1Delta 48 1 1 12119.8071 Qf(48) : b1Pi v=1 48 e - a1Delta v=0 48 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 33 0 1 12120.0369 Pf(33) : b1Pi v=1 32 f - a1Delta v=0 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 1 2 a1Delta 48 0 1 12120.1668 Qe(48) : b1Pi v=1 48 f - a1Delta v=0 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 1 2 a1Delta 47 0 1 12122.4338 Qf(47) : b1Pi v=1 47 e - a1Delta v=0 47 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 a1Delta 46 1 1 12124.9985 Qf(46) : b1Pi v=1 46 e - a1Delta v=0 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 1 2 a1Delta 46 0 1 12125.3376 Qe(46) : b1Pi v=1 46 f - a1Delta v=0 46 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 a1Delta 31 1 1 12125.4512 Pe(31) : b1Pi v=1 30 e - a1Delta v=0 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 1 2 a1Delta 45 0 1 12127.5211 Qf(45) : b1Pi v=1 45 e - a1Delta v=0 45 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 0 2 a1Delta 67 1 1 12127.7258 Re(67) : b1Pi v=1 68 e - a1Delta v=0 67 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 a1Delta 45 1 1 12127.8330 Qe(45) : b1Pi v=1 45 f - a1Delta v=0 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 a1Delta 30 0 1 12128.1469 Pe(30) : b1Pi v=1 29 e - a1Delta v=0 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 a1Delta 30 1 1 12128.2963 Pf(30) : b1Pi v=1 29 f - a1Delta v=0 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 68 1 2 a1Delta 67 0 1 12128.4133 Rf(67) : b1Pi v=1 68 f - a1Delta v=0 67 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 0 2 a1Delta 44 1 1 12129.9847 Qf(44) : b1Pi v=1 44 e - a1Delta v=0 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 44 1 2 a1Delta 44 0 1 12130.2803 Qe(44) : b1Pi v=1 44 f - a1Delta v=0 44 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 1 2 a1Delta 66 0 1 12130.4341 Re(66) : b1Pi v=1 67 e - a1Delta v=0 66 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 a1Delta 29 1 1 12130.8051 Pe(29) : b1Pi v=1 28 e - a1Delta v=0 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 29 0 1 12130.9260 Pf(29) : b1Pi v=1 28 f - a1Delta v=0 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 67 0 2 a1Delta 66 1 1 12131.1045 Rf(66) : b1Pi v=1 67 f - a1Delta v=0 66 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 1 2 a1Delta 43 0 1 12132.3835 Qf(43) : b1Pi v=1 43 e - a1Delta v=0 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 43 0 2 a1Delta 43 1 1 12132.6742 Qe(43) : b1Pi v=1 43 f - a1Delta v=0 43 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 0 2 a1Delta 65 1 1 12133.0696 Re(65) : b1Pi v=1 66 e - a1Delta v=0 65 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 2 a1Delta 28 0 1 12133.3880 Pe(28) : b1Pi v=1 27 e - a1Delta v=0 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 a1Delta 28 1 1 12133.5120 Pf(28) : b1Pi v=1 27 f - a1Delta v=0 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 66 1 2 a1Delta 65 0 1 12133.7315 Rf(65) : b1Pi v=1 66 f - a1Delta v=0 65 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 0 2 a1Delta 42 1 1 12134.7324 Qf(42) : b1Pi v=1 42 e - a1Delta v=0 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 42 1 2 a1Delta 42 0 1 12135.0123 Qe(42) : b1Pi v=1 42 f - a1Delta v=0 42 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 a1Delta 41 0 1 12137.0234 Qf(41) : b1Pi v=1 41 e - a1Delta v=0 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 a1Delta 41 1 1 12137.2902 Qe(41) : b1Pi v=1 41 f - a1Delta v=0 41 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 0 2 a1Delta 63 1 1 12138.2162 Re(63) : b1Pi v=1 64 e - a1Delta v=0 63 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 a1Delta 26 0 1 12138.4068 Pe(26) : b1Pi v=1 25 e - a1Delta v=0 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 a1Delta 26 1 1 12138.5081 Pf(26) : b1Pi v=1 25 f - a1Delta v=0 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 64 1 2 a1Delta 63 0 1 12138.8282 Rf(63) : b1Pi v=1 64 f - a1Delta v=0 63 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 0 2 a1Delta 40 1 1 12139.2688 Qf(40) : b1Pi v=1 40 e - a1Delta v=0 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 a1Delta 40 0 1 12139.5143 Qe(40) : b1Pi v=1 40 f - a1Delta v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 63 1 2 a1Delta 62 0 1 12140.6925 Re(62) : b1Pi v=1 63 e - a1Delta v=0 62 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 0 2 a1Delta 25 1 1 12140.8378 Pe(25) : b1Pi v=1 24 e - a1Delta v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 24 1 2 a1Delta 25 0 1 12140.9358 Pf(25) : b1Pi v=1 24 f - a1Delta v=0 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 1 2 a1Delta 39 0 1 12141.4535 Qf(39) : b1Pi v=1 39 e - a1Delta v=0 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 a1Delta 39 1 1 12141.6892 Qe(39) : b1Pi v=1 39 f - a1Delta v=0 39 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 0 2 a1Delta 61 1 1 12143.1032 Re(61) : b1Pi v=1 62 e - a1Delta v=0 61 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 a1Delta 24 0 1 12143.2039 Pe(24) : b1Pi v=1 23 e - a1Delta v=0 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 a1Delta 24 1 1 12143.2930 Pf(24) : b1Pi v=1 23 f - a1Delta v=0 24 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 a1Delta 38 1 1 12143.5766 Qf(38) : b1Pi v=1 38 e - a1Delta v=0 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 62 1 2 a1Delta 61 0 1 12143.6875 Rf(61) : b1Pi v=1 62 f - a1Delta v=0 61 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 a1Delta 38 0 1 12143.8043 Qe(38) : b1Pi v=1 38 f - a1Delta v=0 38 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 37 1 1 12145.8675 Qe(37) : b1Pi v=1 37 f - a1Delta v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 36 1 1 12147.6705 Qf(36) : b1Pi v=1 36 e - a1Delta v=0 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 60 1 2 a1Delta 59 0 1 12148.3239 Rf(59) : b1Pi v=1 60 f - a1Delta v=0 59 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 a1Delta 35 0 1 12149.6340 Qf(35) : b1Pi v=1 35 e - a1Delta v=0 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 a1Delta 35 1 1 12149.8322 Qe(35) : b1Pi v=1 35 f - a1Delta v=0 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 a1Delta 34 1 1 12151.5304 Qf(34) : b1Pi v=1 34 e - a1Delta v=0 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 34 0 1 12151.7274 Qe(34) : b1Pi v=1 34 f - a1Delta v=0 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 58 1 2 a1Delta 57 0 1 12152.7305 Rf(57) : b1Pi v=1 58 f - a1Delta v=0 57 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 a1Delta 33 0 1 12153.3940 Qf(33) : b1Pi v=1 33 e - a1Delta v=0 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 a1Delta 32 1 1 12155.1940 Qf(32) : b1Pi v=1 32 e - a1Delta v=0 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 32 0 1 12155.3524 Qe(32) : b1Pi v=1 32 f - a1Delta v=0 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 a1Delta 31 0 1 12156.9299 Qf(31) : b1Pi v=1 31 e - a1Delta v=0 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 56 1 2 a1Delta 55 0 1 12156.9299 Rf(55) : b1Pi v=1 56 f - a1Delta v=0 55 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 a1Delta 31 1 1 12157.0914 Qe(31) : b1Pi v=1 31 f - a1Delta v=0 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 a1Delta 30 1 1 12158.6141 Qf(30) : b1Pi v=1 30 e - a1Delta v=0 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 2 a1Delta 30 0 1 12158.7703 Qe(30) : b1Pi v=1 30 f - a1Delta v=0 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 55 0 2 a1Delta 54 1 1 12158.9180 Rf(54) : b1Pi v=1 55 f - a1Delta v=0 54 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 0 2 a1Delta 16 1 1 12160.2627 Pf(16) : b1Pi v=1 15 f - a1Delta v=0 16 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 a1Delta 29 0 1 12160.2627 Qf(29) : b1Pi v=1 29 e - a1Delta v=0 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 2 a1Delta 16 0 1 12160.2627 Pe(16) : b1Pi v=1 15 e - a1Delta v=0 16 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 54 0 2 a1Delta 53 1 1 12160.4009 Re(53) : b1Pi v=1 54 e - a1Delta v=0 53 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 a1Delta 29 1 1 12160.4009 Qe(29) : b1Pi v=1 29 f - a1Delta v=0 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 a1Delta 28 1 1 12161.8388 Qf(28) : b1Pi v=1 28 e - a1Delta v=0 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 28 0 1 12161.9627 Qe(28) : b1Pi v=1 28 f - a1Delta v=0 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 2 a1Delta 27 0 1 12163.3646 Qf(27) : b1Pi v=1 27 e - a1Delta v=0 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 a1Delta 27 1 1 12163.4833 Qe(27) : b1Pi v=1 27 f - a1Delta v=0 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 2 a1Delta 14 0 1 12163.9816 Pe(14) : b1Pi v=1 13 e - a1Delta v=0 14 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 0 2 a1Delta 14 1 1 12163.9816 Pf(14) : b1Pi v=1 13 f - a1Delta v=0 14 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 52 1 2 a1Delta 51 0 1 12164.6191 Rf(51) : b1Pi v=1 52 f - a1Delta v=0 51 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 a1Delta 26 1 1 12164.8356 Qf(26) : b1Pi v=1 26 e - a1Delta v=0 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 a1Delta 26 0 1 12164.9461 Qe(26) : b1Pi v=1 26 f - a1Delta v=0 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 a1Delta 25 0 1 12166.2453 Qf(25) : b1Pi v=1 25 e - a1Delta v=0 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 51 0 2 a1Delta 50 1 1 12166.3593 Rf(50) : b1Pi v=1 51 f - a1Delta v=0 50 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 a1Delta 25 1 1 12166.3593 Qe(25) : b1Pi v=1 25 f - a1Delta v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 1 2 a1Delta 23 0 1 12168.9056 Qf(23) : b1Pi v=1 23 e - a1Delta v=0 23 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 23 0 2 a1Delta 23 1 1 12169.0047 Qe(23) : b1Pi v=1 23 f - a1Delta v=0 23 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 0 2 a1Delta 11 1 1 12169.1761 Pe(11) : b1Pi v=1 10 e - a1Delta v=0 11 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 10 1 2 a1Delta 11 0 1 12169.1761 Pf(11) : b1Pi v=1 10 f - a1Delta v=0 11 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 49 1 2 a1Delta 48 0 1 12169.4071 Re(48) : b1Pi v=1 49 e - a1Delta v=0 48 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 1 2 a1Delta 10 0 1 12170.7559 Pe(10) : b1Pi v=1 9 e - a1Delta v=0 10 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 9 0 2 a1Delta 10 1 1 12170.7559 Pf(10) : b1Pi v=1 9 f - a1Delta v=0 10 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 48 0 2 a1Delta 47 1 1 12171.0231 Re(47) : b1Pi v=1 48 e - a1Delta v=0 47 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 47 0 2 a1Delta 46 1 1 12172.9360 Rf(46) : b1Pi v=1 47 f - a1Delta v=0 46 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 46 0 2 a1Delta 45 1 1 12174.1054 Re(45) : b1Pi v=1 46 e - a1Delta v=0 45 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 45 0 2 a1Delta 44 1 1 12175.8869 Rf(44) : b1Pi v=1 45 f - a1Delta v=0 44 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 16 0 2 a1Delta 16 1 1 12176.5469 Qf(16) : b1Pi v=1 16 e - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 16 1 2 a1Delta 16 0 1 12176.5469 Qe(16) : b1Pi v=1 16 f - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 44 1 2 a1Delta 43 0 1 12177.2663 Rf(43) : b1Pi v=1 44 f - a1Delta v=0 43 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 15 1 2 a1Delta 15 0 1 12177.3993 Qf(15) : b1Pi v=1 15 e - a1Delta v=0 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 15 0 2 a1Delta 15 1 1 12177.3993 Qe(15) : b1Pi v=1 15 f - a1Delta v=0 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 43 0 2 a1Delta 42 1 1 12178.6009 Rf(42) : b1Pi v=1 43 f - a1Delta v=0 42 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 13 1 2 a1Delta 13 0 1 12178.9684 Qf(13) : b1Pi v=1 13 e - a1Delta v=0 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 13 0 2 a1Delta 13 1 1 12178.9684 Qe(13) : b1Pi v=1 13 f - a1Delta v=0 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 1 2 a1Delta 12 0 1 12179.6887 Qe(12) : b1Pi v=1 12 f - a1Delta v=0 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 12 0 2 a1Delta 12 1 1 12179.6887 Qf(12) : b1Pi v=1 12 e - a1Delta v=0 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule b1Pi 42 1 2 a1Delta 41 0 1 12179.8691 Rf(41) : b1Pi v=1 42 f - a1Delta v=0 41 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 1 2 a1Delta 40 0 1 12180.8092 Re(40) : b1Pi v=1 41 e - a1Delta v=0 40 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 41 0 2 a1Delta 40 1 1 12181.1000 Rf(40) : b1Pi v=1 41 f - a1Delta v=0 40 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 40 1 2 a1Delta 39 0 1 12182.2500 Rf(39) : b1Pi v=1 40 f - a1Delta v=0 39 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 39 0 2 a1Delta 38 1 1 12183.3749 Rf(38) : b1Pi v=1 39 f - a1Delta v=0 38 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 1 2 a1Delta 4 0 1 12183.3749 Qe(4) : b1Pi v=1 4 f - a1Delta v=0 4 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 4 0 2 a1Delta 4 1 1 12183.3749 Qf(4) : b1Pi v=1 4 e - a1Delta v=0 4 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 2 1 2 a1Delta 2 0 1 12183.7476 Qe(2) : b1Pi v=1 2 f - a1Delta v=0 2 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 2 0 2 a1Delta 2 1 1 12183.7476 Qf(2) : b1Pi v=1 2 e - a1Delta v=0 2 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 0 2 a1Delta 37 1 1 12184.2007 Re(37) : b1Pi v=1 38 e - a1Delta v=0 37 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 38 1 2 a1Delta 37 0 1 12184.4293 Rf(37) : b1Pi v=1 38 f - a1Delta v=0 37 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 1 2 a1Delta 36 0 1 12185.2133 Re(36) : b1Pi v=1 37 e - a1Delta v=0 36 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 37 0 2 a1Delta 36 1 1 12185.4226 Rf(36) : b1Pi v=1 37 f - a1Delta v=0 36 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 0 2 a1Delta 35 1 1 12186.1612 Re(35) : b1Pi v=1 36 e - a1Delta v=0 35 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 36 1 2 a1Delta 35 0 1 12186.3811 Rf(35) : b1Pi v=1 36 f - a1Delta v=0 35 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 1 2 a1Delta 34 0 1 12187.0656 Re(34) : b1Pi v=1 35 e - a1Delta v=0 34 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 35 0 2 a1Delta 34 1 1 12187.2502 Rf(34) : b1Pi v=1 35 f - a1Delta v=0 34 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 0 2 a1Delta 33 1 1 12187.9142 Re(33) : b1Pi v=1 34 e - a1Delta v=0 33 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 34 1 2 a1Delta 33 0 1 12188.0963 Rf(33) : b1Pi v=1 34 f - a1Delta v=0 33 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 1 2 a1Delta 32 0 1 12188.6926 Re(32) : b1Pi v=1 33 e - a1Delta v=0 32 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 33 0 2 a1Delta 32 1 1 12188.8756 Rf(32) : b1Pi v=1 33 f - a1Delta v=0 32 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 0 2 a1Delta 31 1 1 12189.4312 Re(31) : b1Pi v=1 32 e - a1Delta v=0 31 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 32 1 2 a1Delta 31 0 1 12189.5879 Rf(31) : b1Pi v=1 32 f - a1Delta v=0 31 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 1 2 a1Delta 6 0 1 12189.9030 Re(6) : b1Pi v=1 7 e - a1Delta v=0 6 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 7 0 2 a1Delta 6 1 1 12189.9030 Rf(6) : b1Pi v=1 7 f - a1Delta v=0 6 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 1 2 a1Delta 30 0 1 12190.1107 Re(30) : b1Pi v=1 31 e - a1Delta v=0 30 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 31 0 2 a1Delta 30 1 1 12190.2652 Rf(30) : b1Pi v=1 31 f - a1Delta v=0 30 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 0 2 a1Delta 29 1 1 12190.7386 Re(29) : b1Pi v=1 30 e - a1Delta v=0 29 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 30 1 2 a1Delta 29 0 1 12190.8802 Rf(29) : b1Pi v=1 30 f - a1Delta v=0 29 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 1 2 a1Delta 28 0 1 12191.3010 Re(28) : b1Pi v=1 29 e - a1Delta v=0 28 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 29 0 2 a1Delta 28 1 1 12191.4352 Rf(28) : b1Pi v=1 29 f - a1Delta v=0 28 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 0 2 a1Delta 27 1 1 12191.8118 Re(27) : b1Pi v=1 28 e - a1Delta v=0 27 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 28 1 2 a1Delta 27 0 1 12191.9395 Rf(27) : b1Pi v=1 28 f - a1Delta v=0 27 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 1 2 a1Delta 26 0 1 12192.2713 Re(26) : b1Pi v=1 27 e - a1Delta v=0 26 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 27 0 2 a1Delta 26 1 1 12192.3917 Rf(26) : b1Pi v=1 27 f - a1Delta v=0 26 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 0 2 a1Delta 25 1 1 12192.6699 Re(25) : b1Pi v=1 26 e - a1Delta v=0 25 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 26 1 2 a1Delta 25 0 1 12192.7846 Rf(25) : b1Pi v=1 26 f - a1Delta v=0 25 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 1 2 a1Delta 24 0 1 12193.0244 Re(24) : b1Pi v=1 25 e - a1Delta v=0 24 e : 850116002_Apo_Cal.dpt - Overlays LinearMolecule b1Pi 25 0 2 a1Delta 24 1 1 12193.1265 Rf(24) : b1Pi v=1 25 f - a1Delta v=0 24 f : 850116002_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 36 1 4 a1Delta 36 0 4 17518.4412 Qe(36) : c1Phi v=3 36 f - a1Delta v=3 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 4 a1Delta 36 1 4 17518.4412 Qf(36) : c1Phi v=3 36 e - a1Delta v=3 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 1 4 a1Delta 35 0 4 17519.5615 Qf(35) : c1Phi v=3 35 e - a1Delta v=3 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 0 4 a1Delta 35 1 4 17519.5615 Qe(35) : c1Phi v=3 35 f - a1Delta v=3 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 4 a1Delta 34 0 4 17520.6680 Qe(34) : c1Phi v=3 34 f - a1Delta v=3 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 4 a1Delta 34 1 4 17520.6680 Qf(34) : c1Phi v=3 34 e - a1Delta v=3 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 4 a1Delta 33 1 4 17521.7312 Qe(33) : c1Phi v=3 33 f - a1Delta v=3 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 4 a1Delta 33 0 4 17521.7312 Qf(33) : c1Phi v=3 33 e - a1Delta v=3 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 4 a1Delta 31 0 4 17523.7601 Qf(31) : c1Phi v=3 31 e - a1Delta v=3 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 4 a1Delta 31 1 4 17523.7601 Qe(31) : c1Phi v=3 31 f - a1Delta v=3 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 4 a1Delta 30 1 4 17524.7229 Qf(30) : c1Phi v=3 30 e - a1Delta v=3 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 4 a1Delta 30 0 4 17524.7229 Qe(30) : c1Phi v=3 30 f - a1Delta v=3 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 4 a1Delta 29 1 4 17525.6664 Qe(29) : c1Phi v=3 29 f - a1Delta v=3 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 4 a1Delta 29 0 4 17525.6664 Qf(29) : c1Phi v=3 29 e - a1Delta v=3 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 4 a1Delta 28 1 4 17526.5822 Qf(28) : c1Phi v=3 28 e - a1Delta v=3 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 4 a1Delta 28 0 4 17526.5822 Qe(28) : c1Phi v=3 28 f - a1Delta v=3 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 4 a1Delta 27 1 4 17527.4358 Qe(27) : c1Phi v=3 27 f - a1Delta v=3 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 4 a1Delta 27 0 4 17527.4358 Qf(27) : c1Phi v=3 27 e - a1Delta v=3 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 4 a1Delta 26 1 4 17528.2777 Qf(26) : c1Phi v=3 26 e - a1Delta v=3 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 4 a1Delta 26 0 4 17528.2777 Qe(26) : c1Phi v=3 26 f - a1Delta v=3 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 4 a1Delta 25 1 4 17529.0718 Qe(25) : c1Phi v=3 25 f - a1Delta v=3 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 4 a1Delta 25 0 4 17529.0718 Qf(25) : c1Phi v=3 25 e - a1Delta v=3 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 4 a1Delta 24 1 4 17529.8643 Qf(24) : c1Phi v=3 24 e - a1Delta v=3 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 4 a1Delta 24 0 4 17529.8643 Qe(24) : c1Phi v=3 24 f - a1Delta v=3 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 4 a1Delta 19 1 4 17533.2761 Qe(19) : c1Phi v=3 19 f - a1Delta v=3 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 4 a1Delta 19 0 4 17533.2761 Qf(19) : c1Phi v=3 19 e - a1Delta v=3 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 4 a1Delta 16 0 4 17534.9598 Qe(16) : c1Phi v=3 16 f - a1Delta v=3 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 4 a1Delta 16 1 4 17534.9598 Qf(16) : c1Phi v=3 16 e - a1Delta v=3 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 4 a1Delta 15 1 4 17535.4365 Qe(15) : c1Phi v=3 15 f - a1Delta v=3 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 4 a1Delta 15 0 4 17535.4365 Qf(15) : c1Phi v=3 15 e - a1Delta v=3 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 4 a1Delta 14 1 4 17535.8884 Qf(14) : c1Phi v=3 14 e - a1Delta v=3 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 4 a1Delta 14 0 4 17535.8884 Qe(14) : c1Phi v=3 14 f - a1Delta v=3 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 1 4 a1Delta 13 0 4 17536.3289 Qf(13) : c1Phi v=3 13 e - a1Delta v=3 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 0 4 a1Delta 13 1 4 17536.3289 Qe(13) : c1Phi v=3 13 f - a1Delta v=3 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 0 4 a1Delta 12 1 4 17536.7197 Qf(12) : c1Phi v=3 12 e - a1Delta v=3 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 1 4 a1Delta 12 0 4 17536.7197 Qe(12) : c1Phi v=3 12 f - a1Delta v=3 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 0 4 a1Delta 8 1 4 17538.0346 Qf(8) : c1Phi v=3 8 e - a1Delta v=3 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 1 4 a1Delta 8 0 4 17538.0346 Qe(8) : c1Phi v=3 8 f - a1Delta v=3 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 3 1 4 a1Delta 2 0 4 17542.1227 Re(2) : c1Phi v=3 3 e - a1Delta v=3 2 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 3 0 4 a1Delta 2 1 4 17542.1227 Rf(2) : c1Phi v=3 3 f - a1Delta v=3 2 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 1 4 a1Delta 8 0 4 17547.2416 Re(8) : c1Phi v=3 9 e - a1Delta v=3 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 0 4 a1Delta 8 1 4 17547.2416 Rf(8) : c1Phi v=3 9 f - a1Delta v=3 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 4 a1Delta 14 0 4 17551.2458 Re(14) : c1Phi v=3 15 e - a1Delta v=3 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 4 a1Delta 14 1 4 17551.2458 Rf(14) : c1Phi v=3 15 f - a1Delta v=3 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 4 a1Delta 18 1 4 17553.2828 Rf(18) : c1Phi v=3 19 f - a1Delta v=3 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 4 a1Delta 18 0 4 17553.2828 Re(18) : c1Phi v=3 19 e - a1Delta v=3 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 4 a1Delta 42 0 4 17554.8071 Re(42) : c1Phi v=3 43 e - a1Delta v=3 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 4 a1Delta 42 1 4 17554.8071 Rf(42) : c1Phi v=3 43 f - a1Delta v=3 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 4 a1Delta 22 0 4 17554.8071 Re(22) : c1Phi v=3 23 e - a1Delta v=3 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 4 a1Delta 22 1 4 17554.8071 Rf(22) : c1Phi v=3 23 f - a1Delta v=3 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 0 4 a1Delta 41 1 4 17555.1097 Re(41) : c1Phi v=3 42 e - a1Delta v=3 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 4 a1Delta 23 0 4 17555.1097 Rf(23) : c1Phi v=3 24 f - a1Delta v=3 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 4 a1Delta 23 1 4 17555.1097 Re(23) : c1Phi v=3 24 e - a1Delta v=3 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 1 4 a1Delta 41 0 4 17555.1097 Rf(41) : c1Phi v=3 42 f - a1Delta v=3 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 4 a1Delta 39 1 4 17555.6270 Re(39) : c1Phi v=3 40 e - a1Delta v=3 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 4 a1Delta 25 1 4 17555.6270 Re(25) : c1Phi v=3 26 e - a1Delta v=3 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 4 a1Delta 25 0 4 17555.6270 Rf(25) : c1Phi v=3 26 f - a1Delta v=3 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 4 a1Delta 39 0 4 17555.6270 Rf(39) : c1Phi v=3 40 f - a1Delta v=3 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 4 a1Delta 38 1 4 17555.8711 Rf(38) : c1Phi v=3 39 f - a1Delta v=3 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 4 a1Delta 38 0 4 17555.8711 Re(38) : c1Phi v=3 39 e - a1Delta v=3 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 4 a1Delta 26 1 4 17555.8711 Rf(26) : c1Phi v=3 27 f - a1Delta v=3 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 4 a1Delta 26 0 4 17555.8711 Re(26) : c1Phi v=3 27 e - a1Delta v=3 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 4 a1Delta 27 1 4 17556.0333 Re(27) : c1Phi v=3 28 e - a1Delta v=3 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 4 a1Delta 37 1 4 17556.0333 Re(37) : c1Phi v=3 38 e - a1Delta v=3 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 4 a1Delta 27 0 4 17556.0333 Rf(27) : c1Phi v=3 28 f - a1Delta v=3 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 4 a1Delta 37 0 4 17556.0333 Rf(37) : c1Phi v=3 38 f - a1Delta v=3 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 4 a1Delta 36 1 4 17556.1783 Rf(36) : c1Phi v=3 37 f - a1Delta v=3 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 4 a1Delta 36 0 4 17556.1783 Re(36) : c1Phi v=3 37 e - a1Delta v=3 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 4 a1Delta 28 0 4 17556.1783 Re(28) : c1Phi v=3 29 e - a1Delta v=3 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 4 a1Delta 28 1 4 17556.1783 Rf(28) : c1Phi v=3 29 f - a1Delta v=3 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 4 a1Delta 29 0 4 17556.2922 Rf(29) : c1Phi v=3 30 f - a1Delta v=3 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 4 a1Delta 29 1 4 17556.2922 Re(29) : c1Phi v=3 30 e - a1Delta v=3 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 4 a1Delta 35 1 4 17556.2922 Re(35) : c1Phi v=3 36 e - a1Delta v=3 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 4 a1Delta 35 0 4 17556.2922 Rf(35) : c1Phi v=3 36 f - a1Delta v=3 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 63 1 3 a1Delta 63 0 3 17578.6262 Qf(63) : c1Phi v=2 63 e - a1Delta v=2 63 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 63 0 3 a1Delta 63 1 3 17578.6262 Qe(63) : c1Phi v=2 63 f - a1Delta v=2 63 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 62 1 3 a1Delta 62 0 3 17580.5972 Qe(62) : c1Phi v=2 62 f - a1Delta v=2 62 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 62 0 3 a1Delta 62 1 3 17580.5972 Qf(62) : c1Phi v=2 62 e - a1Delta v=2 62 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 3 a1Delta 37 0 3 17581.0378 Pf(37) : c1Phi v=2 36 f - a1Delta v=2 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 3 a1Delta 37 1 3 17581.0378 Pe(37) : c1Phi v=2 36 e - a1Delta v=2 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 61 0 3 a1Delta 61 1 3 17582.5234 Qe(61) : c1Phi v=2 61 f - a1Delta v=2 61 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 61 1 3 a1Delta 61 0 3 17582.5234 Qf(61) : c1Phi v=2 61 e - a1Delta v=2 61 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 3 a1Delta 35 0 3 17585.2784 Pf(35) : c1Phi v=2 34 f - a1Delta v=2 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 3 a1Delta 35 1 3 17585.2784 Pe(35) : c1Phi v=2 34 e - a1Delta v=2 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 59 0 3 a1Delta 59 1 3 17586.2934 Qe(59) : c1Phi v=2 59 f - a1Delta v=2 59 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 59 1 3 a1Delta 59 0 3 17586.2934 Qf(59) : c1Phi v=2 59 e - a1Delta v=2 59 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 3 a1Delta 34 0 3 17587.3599 Pe(34) : c1Phi v=2 33 e - a1Delta v=2 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 3 a1Delta 34 1 3 17587.3599 Pf(34) : c1Phi v=2 33 f - a1Delta v=2 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 0 3 a1Delta 58 1 3 17588.1462 Qf(58) : c1Phi v=2 58 e - a1Delta v=2 58 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 1 3 a1Delta 58 0 3 17588.1462 Qe(58) : c1Phi v=2 58 f - a1Delta v=2 58 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 57 1 3 a1Delta 57 0 3 17589.9393 Qf(57) : c1Phi v=2 57 e - a1Delta v=2 57 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 57 0 3 a1Delta 57 1 3 17589.9393 Qe(57) : c1Phi v=2 57 f - a1Delta v=2 57 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 56 0 3 a1Delta 56 1 3 17591.7028 Qf(56) : c1Phi v=2 56 e - a1Delta v=2 56 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 56 1 3 a1Delta 56 0 3 17591.7028 Qe(56) : c1Phi v=2 56 f - a1Delta v=2 56 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 55 0 3 a1Delta 55 1 3 17593.4292 Qe(55) : c1Phi v=2 55 f - a1Delta v=2 55 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 3 a1Delta 31 0 3 17593.4292 Pf(31) : c1Phi v=2 30 f - a1Delta v=2 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 3 a1Delta 31 1 3 17593.4292 Pe(31) : c1Phi v=2 30 e - a1Delta v=2 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 55 1 3 a1Delta 55 0 3 17593.4292 Qf(55) : c1Phi v=2 55 e - a1Delta v=2 55 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 54 1 3 a1Delta 54 0 3 17595.1354 Qe(54) : c1Phi v=2 54 f - a1Delta v=2 54 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 54 0 3 a1Delta 54 1 3 17595.1354 Qf(54) : c1Phi v=2 54 e - a1Delta v=2 54 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 53 1 3 a1Delta 53 0 3 17596.8140 Qf(53) : c1Phi v=2 53 e - a1Delta v=2 53 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 53 0 3 a1Delta 53 1 3 17596.8140 Qe(53) : c1Phi v=2 53 f - a1Delta v=2 53 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 0 3 a1Delta 52 1 3 17598.4304 Qf(52) : c1Phi v=2 52 e - a1Delta v=2 52 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 1 3 a1Delta 52 0 3 17598.4304 Qe(52) : c1Phi v=2 52 f - a1Delta v=2 52 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 0 3 a1Delta 51 1 3 17600.0397 Qe(51) : c1Phi v=2 51 f - a1Delta v=2 51 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 1 3 a1Delta 51 0 3 17600.0397 Qf(51) : c1Phi v=2 51 e - a1Delta v=2 51 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 0 3 a1Delta 47 1 3 17606.1018 Qe(47) : c1Phi v=2 47 f - a1Delta v=2 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 1 3 a1Delta 47 0 3 17606.1018 Qf(47) : c1Phi v=2 47 e - a1Delta v=2 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 3 a1Delta 45 1 3 17608.9455 Qe(45) : c1Phi v=2 45 f - a1Delta v=2 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 3 a1Delta 45 0 3 17608.9455 Qf(45) : c1Phi v=2 45 e - a1Delta v=2 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 3 a1Delta 43 1 3 17611.6511 Qe(43) : c1Phi v=2 43 f - a1Delta v=2 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 3 a1Delta 21 0 3 17611.6511 Pf(21) : c1Phi v=2 20 f - a1Delta v=2 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 3 a1Delta 21 1 3 17611.6511 Pe(21) : c1Phi v=2 20 e - a1Delta v=2 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 3 a1Delta 43 0 3 17611.6511 Qf(43) : c1Phi v=2 43 e - a1Delta v=2 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 3 a1Delta 38 1 3 17617.8773 Qf(38) : c1Phi v=2 38 e - a1Delta v=2 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 3 a1Delta 38 0 3 17617.8773 Qe(38) : c1Phi v=2 38 f - a1Delta v=2 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 3 a1Delta 37 1 3 17619.0418 Qe(37) : c1Phi v=2 37 f - a1Delta v=2 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 3 a1Delta 37 0 3 17619.0418 Qf(37) : c1Phi v=2 37 e - a1Delta v=2 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 3 a1Delta 36 1 3 17620.1520 Qf(36) : c1Phi v=2 36 e - a1Delta v=2 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 3 a1Delta 36 0 3 17620.1520 Qe(36) : c1Phi v=2 36 f - a1Delta v=2 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 3 a1Delta 32 1 3 17624.3221 Qf(32) : c1Phi v=2 32 e - a1Delta v=2 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 3 a1Delta 32 0 3 17624.3221 Qe(32) : c1Phi v=2 32 f - a1Delta v=2 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 3 a1Delta 31 1 3 17625.2777 Qe(31) : c1Phi v=2 31 f - a1Delta v=2 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 3 a1Delta 31 0 3 17625.2777 Qf(31) : c1Phi v=2 31 e - a1Delta v=2 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 3 a1Delta 30 0 3 17626.2121 Qe(30) : c1Phi v=2 30 f - a1Delta v=2 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 3 a1Delta 30 1 3 17626.2121 Qf(30) : c1Phi v=2 30 e - a1Delta v=2 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 3 a1Delta 29 1 3 17627.1228 Qe(29) : c1Phi v=2 29 f - a1Delta v=2 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 3 a1Delta 29 0 3 17627.1228 Qf(29) : c1Phi v=2 29 e - a1Delta v=2 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 3 a1Delta 28 0 3 17627.9846 Qe(28) : c1Phi v=2 28 f - a1Delta v=2 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 3 a1Delta 28 1 3 17627.9846 Qf(28) : c1Phi v=2 28 e - a1Delta v=2 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 3 a1Delta 27 1 3 17628.8387 Qe(27) : c1Phi v=2 27 f - a1Delta v=2 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 3 a1Delta 27 0 3 17628.8387 Qf(27) : c1Phi v=2 27 e - a1Delta v=2 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 3 a1Delta 26 0 3 17629.6439 Qe(26) : c1Phi v=2 26 f - a1Delta v=2 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 3 a1Delta 26 1 3 17629.6439 Qf(26) : c1Phi v=2 26 e - a1Delta v=2 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 3 a1Delta 25 1 3 17630.4360 Qe(25) : c1Phi v=2 25 f - a1Delta v=2 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 3 a1Delta 25 0 3 17630.4360 Qf(25) : c1Phi v=2 25 e - a1Delta v=2 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 3 a1Delta 24 1 3 17631.1848 Qf(24) : c1Phi v=2 24 e - a1Delta v=2 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 3 a1Delta 24 0 3 17631.1848 Qe(24) : c1Phi v=2 24 f - a1Delta v=2 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 3 a1Delta 23 1 3 17631.9109 Qe(23) : c1Phi v=2 23 f - a1Delta v=2 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 3 a1Delta 23 0 3 17631.9109 Qf(23) : c1Phi v=2 23 e - a1Delta v=2 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 3 a1Delta 22 0 3 17632.5988 Qe(22) : c1Phi v=2 22 f - a1Delta v=2 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 3 a1Delta 22 1 3 17632.5988 Qf(22) : c1Phi v=2 22 e - a1Delta v=2 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 3 a1Delta 21 1 3 17633.2483 Qe(21) : c1Phi v=2 21 f - a1Delta v=2 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 3 a1Delta 21 0 3 17633.2483 Qf(21) : c1Phi v=2 21 e - a1Delta v=2 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 3 a1Delta 20 1 3 17633.8656 Qf(20) : c1Phi v=2 20 e - a1Delta v=2 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 3 a1Delta 20 0 3 17633.8656 Qe(20) : c1Phi v=2 20 f - a1Delta v=2 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 3 a1Delta 19 1 3 17634.4826 Qe(19) : c1Phi v=2 19 f - a1Delta v=2 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 3 a1Delta 19 0 3 17634.4826 Qf(19) : c1Phi v=2 19 e - a1Delta v=2 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 1 3 a1Delta 18 0 3 17635.0633 Qe(18) : c1Phi v=2 18 f - a1Delta v=2 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 0 3 a1Delta 18 1 3 17635.0633 Qf(18) : c1Phi v=2 18 e - a1Delta v=2 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 3 a1Delta 17 0 3 17635.5919 Qf(17) : c1Phi v=2 17 e - a1Delta v=2 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 0 3 a1Delta 17 1 3 17635.5919 Qe(17) : c1Phi v=2 17 f - a1Delta v=2 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 3 a1Delta 16 0 3 17636.1097 Qe(16) : c1Phi v=2 16 f - a1Delta v=2 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 3 a1Delta 16 1 3 17636.1097 Qf(16) : c1Phi v=2 16 e - a1Delta v=2 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 3 a1Delta 15 0 3 17636.5782 Qf(15) : c1Phi v=2 15 e - a1Delta v=2 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 3 a1Delta 15 1 3 17636.5782 Qe(15) : c1Phi v=2 15 f - a1Delta v=2 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 3 a1Delta 14 1 3 17637.0346 Qf(14) : c1Phi v=2 14 e - a1Delta v=2 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 3 a1Delta 14 0 3 17637.0346 Qe(14) : c1Phi v=2 14 f - a1Delta v=2 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 1 3 a1Delta 13 0 3 17637.4468 Qf(13) : c1Phi v=2 13 e - a1Delta v=2 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 0 3 a1Delta 13 1 3 17637.4468 Qe(13) : c1Phi v=2 13 f - a1Delta v=2 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 1 3 a1Delta 12 0 3 17637.8388 Qe(12) : c1Phi v=2 12 f - a1Delta v=2 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 0 3 a1Delta 12 1 3 17637.8388 Qf(12) : c1Phi v=2 12 e - a1Delta v=2 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 1 3 a1Delta 11 0 3 17638.1935 Qf(11) : c1Phi v=2 11 e - a1Delta v=2 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 0 3 a1Delta 11 1 3 17638.1935 Qe(11) : c1Phi v=2 11 f - a1Delta v=2 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 0 3 a1Delta 7 1 3 17647.5726 Re(7) : c1Phi v=2 8 e - a1Delta v=2 7 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 1 3 a1Delta 7 0 3 17647.5726 Rf(7) : c1Phi v=2 8 f - a1Delta v=2 7 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 1 3 a1Delta 8 0 3 17648.3764 Re(8) : c1Phi v=2 9 e - a1Delta v=2 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 0 3 a1Delta 8 1 3 17648.3764 Rf(8) : c1Phi v=2 9 f - a1Delta v=2 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 2 a1Delta 46 0 2 17661.6169 Pe(46) : c1Phi v=1 45 e - a1Delta v=1 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 2 a1Delta 46 1 2 17661.6169 Pf(46) : c1Phi v=1 45 f - a1Delta v=1 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 1 2 a1Delta 45 0 2 17663.9934 Pf(45) : c1Phi v=1 44 f - a1Delta v=1 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 0 2 a1Delta 45 1 2 17663.9934 Pe(45) : c1Phi v=1 44 e - a1Delta v=1 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 2 a1Delta 44 1 2 17666.3325 Pf(44) : c1Phi v=1 43 f - a1Delta v=1 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 2 a1Delta 44 0 2 17666.3325 Pe(44) : c1Phi v=1 43 e - a1Delta v=1 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 1 2 a1Delta 43 0 2 17668.6568 Pf(43) : c1Phi v=1 42 f - a1Delta v=1 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 0 2 a1Delta 43 1 2 17668.6568 Pe(43) : c1Phi v=1 42 e - a1Delta v=1 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 1 2 a1Delta 42 0 2 17670.9474 Pe(42) : c1Phi v=1 41 e - a1Delta v=1 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 0 2 a1Delta 42 1 2 17670.9474 Pf(42) : c1Phi v=1 41 f - a1Delta v=1 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 2 a1Delta 41 0 2 17673.2054 Pf(41) : c1Phi v=1 40 f - a1Delta v=1 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 2 a1Delta 41 1 2 17673.2054 Pe(41) : c1Phi v=1 40 e - a1Delta v=1 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 66 0 2 a1Delta 66 1 2 17675.4526 Qf(66) : c1Phi v=1 66 e - a1Delta v=1 66 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 2 a1Delta 40 0 2 17675.4526 Pe(40) : c1Phi v=1 39 e - a1Delta v=1 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 66 1 2 a1Delta 66 0 2 17675.4526 Qe(66) : c1Phi v=1 66 f - a1Delta v=1 66 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 2 a1Delta 40 1 2 17675.4526 Pf(40) : c1Phi v=1 39 f - a1Delta v=1 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 2 a1Delta 39 1 2 17677.6378 Pe(39) : c1Phi v=1 38 e - a1Delta v=1 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 2 a1Delta 39 0 2 17677.6378 Pf(39) : c1Phi v=1 38 f - a1Delta v=1 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 63 1 2 a1Delta 63 0 2 17681.3213 Qf(63) : c1Phi v=1 63 e - a1Delta v=1 63 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 63 0 2 a1Delta 63 1 2 17681.3213 Qe(63) : c1Phi v=1 63 f - a1Delta v=1 63 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 2 a1Delta 37 0 2 17681.9502 Pf(37) : c1Phi v=1 36 f - a1Delta v=1 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 2 a1Delta 37 1 2 17681.9502 Pe(37) : c1Phi v=1 36 e - a1Delta v=1 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 62 0 2 a1Delta 62 1 2 17683.2208 Qf(62) : c1Phi v=1 62 e - a1Delta v=1 62 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 62 1 2 a1Delta 62 0 2 17683.2208 Qe(62) : c1Phi v=1 62 f - a1Delta v=1 62 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 1 2 a1Delta 36 0 2 17684.0667 Pe(36) : c1Phi v=1 35 e - a1Delta v=1 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 0 2 a1Delta 36 1 2 17684.0667 Pf(36) : c1Phi v=1 35 f - a1Delta v=1 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 61 1 2 a1Delta 61 0 2 17685.0557 Qf(61) : c1Phi v=1 61 e - a1Delta v=1 61 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 61 0 2 a1Delta 61 1 2 17685.0557 Qe(61) : c1Phi v=1 61 f - a1Delta v=1 61 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 2 a1Delta 35 0 2 17686.1570 Pf(35) : c1Phi v=1 34 f - a1Delta v=1 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 2 a1Delta 35 1 2 17686.1570 Pe(35) : c1Phi v=1 34 e - a1Delta v=1 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 60 0 2 a1Delta 60 1 2 17686.8870 Qf(60) : c1Phi v=1 60 e - a1Delta v=1 60 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 60 1 2 a1Delta 60 0 2 17686.8870 Qe(60) : c1Phi v=1 60 f - a1Delta v=1 60 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 2 a1Delta 34 0 2 17688.2116 Pe(34) : c1Phi v=1 33 e - a1Delta v=1 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 2 a1Delta 34 1 2 17688.2116 Pf(34) : c1Phi v=1 33 f - a1Delta v=1 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 59 0 2 a1Delta 59 1 2 17688.6808 Qe(59) : c1Phi v=1 59 f - a1Delta v=1 59 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 59 1 2 a1Delta 59 0 2 17688.6808 Qf(59) : c1Phi v=1 59 e - a1Delta v=1 59 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 2 a1Delta 33 1 2 17690.2341 Pe(33) : c1Phi v=1 32 e - a1Delta v=1 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 2 a1Delta 33 0 2 17690.2341 Pf(33) : c1Phi v=1 32 f - a1Delta v=1 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 1 2 a1Delta 58 0 2 17690.4334 Qe(58) : c1Phi v=1 58 f - a1Delta v=1 58 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 0 2 a1Delta 58 1 2 17690.4334 Qf(58) : c1Phi v=1 58 e - a1Delta v=1 58 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 2 a1Delta 32 0 2 17692.2426 Pe(32) : c1Phi v=1 31 e - a1Delta v=1 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 2 a1Delta 32 1 2 17692.2426 Pf(32) : c1Phi v=1 31 f - a1Delta v=1 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 2 a1Delta 31 1 2 17694.2097 Pe(31) : c1Phi v=1 30 e - a1Delta v=1 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 2 a1Delta 31 0 2 17694.2097 Pf(31) : c1Phi v=1 30 f - a1Delta v=1 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 70 0 1 a1Delta 71 1 1 17694.5314 Pe(71) : c1Phi v=0 70 e - a1Delta v=0 71 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 70 1 1 a1Delta 71 0 1 17694.5314 Pf(71) : c1Phi v=0 70 f - a1Delta v=0 71 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 55 1 2 a1Delta 55 0 2 17695.5146 Qf(55) : c1Phi v=1 55 e - a1Delta v=1 55 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 55 0 2 a1Delta 55 1 2 17695.5146 Qe(55) : c1Phi v=1 55 f - a1Delta v=1 55 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 2 a1Delta 30 1 2 17696.1536 Pf(30) : c1Phi v=1 29 f - a1Delta v=1 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 2 a1Delta 30 0 2 17696.1536 Pe(30) : c1Phi v=1 29 e - a1Delta v=1 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 54 0 2 a1Delta 54 1 2 17697.1401 Qf(54) : c1Phi v=1 54 e - a1Delta v=1 54 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 54 1 2 a1Delta 54 0 2 17697.1401 Qe(54) : c1Phi v=1 54 f - a1Delta v=1 54 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 2 a1Delta 28 1 2 17699.9454 Pf(28) : c1Phi v=1 27 f - a1Delta v=1 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 2 a1Delta 28 0 2 17699.9454 Pe(28) : c1Phi v=1 27 e - a1Delta v=1 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 1 2 a1Delta 52 0 2 17700.3096 Qe(52) : c1Phi v=1 52 f - a1Delta v=1 52 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 0 2 a1Delta 52 1 2 17700.3096 Qf(52) : c1Phi v=1 52 e - a1Delta v=1 52 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 2 a1Delta 27 0 2 17701.8367 Pf(27) : c1Phi v=1 26 f - a1Delta v=1 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 1 2 a1Delta 51 0 2 17701.8367 Qf(51) : c1Phi v=1 51 e - a1Delta v=1 51 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 2 a1Delta 27 1 2 17701.8367 Pe(27) : c1Phi v=1 26 e - a1Delta v=1 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 0 2 a1Delta 51 1 2 17701.8367 Qe(51) : c1Phi v=1 51 f - a1Delta v=1 51 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 0 2 a1Delta 50 1 2 17703.3522 Qf(50) : c1Phi v=1 50 e - a1Delta v=1 50 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 1 2 a1Delta 50 0 2 17703.3522 Qe(50) : c1Phi v=1 50 f - a1Delta v=1 50 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 0 2 a1Delta 49 1 2 17704.8260 Qe(49) : c1Phi v=1 49 f - a1Delta v=1 49 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 1 2 a1Delta 49 0 2 17704.8260 Qf(49) : c1Phi v=1 49 e - a1Delta v=1 49 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 2 a1Delta 25 1 2 17705.4227 Pe(25) : c1Phi v=1 24 e - a1Delta v=1 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 2 a1Delta 25 0 2 17705.4227 Pf(25) : c1Phi v=1 24 f - a1Delta v=1 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 1 2 a1Delta 48 0 2 17706.2714 Qe(48) : c1Phi v=1 48 f - a1Delta v=1 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 0 2 a1Delta 48 1 2 17706.2714 Qf(48) : c1Phi v=1 48 e - a1Delta v=1 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 2 a1Delta 24 0 2 17707.1897 Pe(24) : c1Phi v=1 23 e - a1Delta v=1 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 2 a1Delta 24 1 2 17707.1897 Pf(24) : c1Phi v=1 23 f - a1Delta v=1 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 1 2 a1Delta 47 0 2 17707.6874 Qf(47) : c1Phi v=1 47 e - a1Delta v=1 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 0 2 a1Delta 47 1 2 17707.6874 Qe(47) : c1Phi v=1 47 f - a1Delta v=1 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 2 a1Delta 23 1 2 17708.9232 Pe(23) : c1Phi v=1 22 e - a1Delta v=1 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 2 a1Delta 23 0 2 17708.9232 Pf(23) : c1Phi v=1 22 f - a1Delta v=1 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 0 2 a1Delta 46 1 2 17709.0731 Qf(46) : c1Phi v=1 46 e - a1Delta v=1 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 1 2 a1Delta 46 0 2 17709.0731 Qe(46) : c1Phi v=1 46 f - a1Delta v=1 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 2 a1Delta 45 1 2 17710.4316 Qe(45) : c1Phi v=1 45 f - a1Delta v=1 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 2 a1Delta 45 0 2 17710.4316 Qf(45) : c1Phi v=1 45 e - a1Delta v=1 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 2 a1Delta 22 0 2 17710.6373 Pe(22) : c1Phi v=1 21 e - a1Delta v=1 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 2 a1Delta 22 1 2 17710.6373 Pf(22) : c1Phi v=1 21 f - a1Delta v=1 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 1 2 a1Delta 42 0 2 17714.3232 Qe(42) : c1Phi v=1 42 f - a1Delta v=1 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 0 2 a1Delta 42 1 2 17714.3232 Qf(42) : c1Phi v=1 42 e - a1Delta v=1 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 2 a1Delta 40 1 2 17716.7670 Qf(40) : c1Phi v=1 40 e - a1Delta v=1 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 2 a1Delta 40 0 2 17716.7670 Qe(40) : c1Phi v=1 40 f - a1Delta v=1 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 2 a1Delta 39 0 2 17717.9406 Qf(39) : c1Phi v=1 39 e - a1Delta v=1 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 2 a1Delta 39 1 2 17717.9406 Qe(39) : c1Phi v=1 39 f - a1Delta v=1 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 2 a1Delta 17 0 2 17718.7710 Pf(17) : c1Phi v=1 16 f - a1Delta v=1 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 2 a1Delta 17 1 2 17718.7710 Pe(17) : c1Phi v=1 16 e - a1Delta v=1 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 2 a1Delta 38 0 2 17719.0846 Qe(38) : c1Phi v=1 38 f - a1Delta v=1 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 2 a1Delta 38 1 2 17719.0846 Qf(38) : c1Phi v=1 38 e - a1Delta v=1 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 2 a1Delta 37 1 2 17720.2055 Qe(37) : c1Phi v=1 37 f - a1Delta v=1 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 2 a1Delta 37 0 2 17720.2055 Qf(37) : c1Phi v=1 37 e - a1Delta v=1 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 2 a1Delta 36 1 2 17721.2924 Qf(36) : c1Phi v=1 36 e - a1Delta v=1 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 2 a1Delta 36 0 2 17721.2924 Qe(36) : c1Phi v=1 36 f - a1Delta v=1 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 2 a1Delta 15 1 2 17721.7983 Pe(15) : c1Phi v=1 14 e - a1Delta v=1 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 2 a1Delta 15 0 2 17721.7983 Pf(15) : c1Phi v=1 14 f - a1Delta v=1 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 0 2 a1Delta 35 1 2 17722.3498 Qe(35) : c1Phi v=1 35 f - a1Delta v=1 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 1 2 a1Delta 35 0 2 17722.3498 Qf(35) : c1Phi v=1 35 e - a1Delta v=1 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 2 a1Delta 34 1 2 17723.3752 Qf(34) : c1Phi v=1 34 e - a1Delta v=1 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 2 a1Delta 34 0 2 17723.3752 Qe(34) : c1Phi v=1 34 f - a1Delta v=1 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 2 a1Delta 33 1 2 17724.3772 Qe(33) : c1Phi v=1 33 f - a1Delta v=1 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 2 a1Delta 33 0 2 17724.3772 Qf(33) : c1Phi v=1 33 e - a1Delta v=1 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 1 2 a1Delta 13 0 2 17724.7129 Pf(13) : c1Phi v=1 12 f - a1Delta v=1 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 0 2 a1Delta 13 1 2 17724.7129 Pe(13) : c1Phi v=1 12 e - a1Delta v=1 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 2 a1Delta 32 1 2 17725.3463 Qf(32) : c1Phi v=1 32 e - a1Delta v=1 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 2 a1Delta 32 0 2 17725.3463 Qe(32) : c1Phi v=1 32 f - a1Delta v=1 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 59 1 1 a1Delta 60 0 1 17725.8575 Pe(60) : c1Phi v=0 59 e - a1Delta v=0 60 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 59 0 1 a1Delta 60 1 1 17725.8575 Pf(60) : c1Phi v=0 59 f - a1Delta v=0 60 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 2 a1Delta 31 1 2 17726.2927 Qe(31) : c1Phi v=1 31 f - a1Delta v=1 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 2 a1Delta 31 0 2 17726.2927 Qf(31) : c1Phi v=1 31 e - a1Delta v=1 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 2 a1Delta 30 1 2 17727.1997 Qf(30) : c1Phi v=1 30 e - a1Delta v=1 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 2 a1Delta 30 0 2 17727.1997 Qe(30) : c1Phi v=1 30 f - a1Delta v=1 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 2 a1Delta 29 1 2 17728.0844 Qe(29) : c1Phi v=1 29 f - a1Delta v=1 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 2 a1Delta 29 0 2 17728.0844 Qf(29) : c1Phi v=1 29 e - a1Delta v=1 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 1 1 a1Delta 59 0 1 17728.5695 Pf(59) : c1Phi v=0 58 f - a1Delta v=0 59 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 0 1 a1Delta 59 1 1 17728.5695 Pe(59) : c1Phi v=0 58 e - a1Delta v=0 59 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 2 a1Delta 28 0 2 17728.9323 Qe(28) : c1Phi v=1 28 f - a1Delta v=1 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 2 a1Delta 28 1 2 17728.9323 Qf(28) : c1Phi v=1 28 e - a1Delta v=1 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 2 a1Delta 27 1 2 17729.7597 Qe(27) : c1Phi v=1 27 f - a1Delta v=1 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 2 a1Delta 27 0 2 17729.7597 Qf(27) : c1Phi v=1 27 e - a1Delta v=1 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 2 a1Delta 26 1 2 17730.5481 Qf(26) : c1Phi v=1 26 e - a1Delta v=1 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 2 a1Delta 26 0 2 17730.5481 Qe(26) : c1Phi v=1 26 f - a1Delta v=1 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 2 a1Delta 25 1 2 17731.3042 Qe(25) : c1Phi v=1 25 f - a1Delta v=1 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 2 a1Delta 25 0 2 17731.3042 Qf(25) : c1Phi v=1 25 e - a1Delta v=1 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 2 a1Delta 24 0 2 17732.0459 Qe(24) : c1Phi v=1 24 f - a1Delta v=1 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 2 a1Delta 24 1 2 17732.0459 Qf(24) : c1Phi v=1 24 e - a1Delta v=1 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 2 a1Delta 23 0 2 17732.7549 Qf(23) : c1Phi v=1 23 e - a1Delta v=1 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 2 a1Delta 23 1 2 17732.7549 Qe(23) : c1Phi v=1 23 f - a1Delta v=1 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 2 a1Delta 22 1 2 17733.4323 Qf(22) : c1Phi v=1 22 e - a1Delta v=1 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 2 a1Delta 22 0 2 17733.4323 Qe(22) : c1Phi v=1 22 f - a1Delta v=1 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 56 0 1 a1Delta 57 1 1 17733.9471 Pe(57) : c1Phi v=0 56 e - a1Delta v=0 57 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 56 1 1 a1Delta 57 0 1 17733.9471 Pf(57) : c1Phi v=0 56 f - a1Delta v=0 57 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 2 a1Delta 21 0 2 17734.0812 Qf(21) : c1Phi v=1 21 e - a1Delta v=1 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 2 a1Delta 21 1 2 17734.0812 Qe(21) : c1Phi v=1 21 f - a1Delta v=1 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 2 a1Delta 20 0 2 17734.7007 Qe(20) : c1Phi v=1 20 f - a1Delta v=1 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 2 a1Delta 20 1 2 17734.7007 Qf(20) : c1Phi v=1 20 e - a1Delta v=1 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 2 a1Delta 19 0 2 17735.2825 Qf(19) : c1Phi v=1 19 e - a1Delta v=1 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 2 a1Delta 19 1 2 17735.2825 Qe(19) : c1Phi v=1 19 f - a1Delta v=1 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 0 2 a1Delta 18 1 2 17735.8474 Qf(18) : c1Phi v=1 18 e - a1Delta v=1 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 1 2 a1Delta 18 0 2 17735.8474 Qe(18) : c1Phi v=1 18 f - a1Delta v=1 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 2 a1Delta 17 0 2 17736.3801 Qf(17) : c1Phi v=1 17 e - a1Delta v=1 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 0 2 a1Delta 17 1 2 17736.3801 Qe(17) : c1Phi v=1 17 f - a1Delta v=1 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 55 1 1 a1Delta 56 0 1 17736.5897 Pe(56) : c1Phi v=0 55 e - a1Delta v=0 56 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 55 0 1 a1Delta 56 1 1 17736.5897 Pf(56) : c1Phi v=0 55 f - a1Delta v=0 56 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 2 a1Delta 16 0 2 17736.8794 Qe(16) : c1Phi v=1 16 f - a1Delta v=1 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 2 a1Delta 16 1 2 17736.8794 Qf(16) : c1Phi v=1 16 e - a1Delta v=1 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 2 a1Delta 15 0 2 17737.3461 Qf(15) : c1Phi v=1 15 e - a1Delta v=1 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 2 a1Delta 15 1 2 17737.3461 Qe(15) : c1Phi v=1 15 f - a1Delta v=1 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 2 a1Delta 14 0 2 17737.7882 Qe(14) : c1Phi v=1 14 f - a1Delta v=1 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 2 a1Delta 14 1 2 17737.7882 Qf(14) : c1Phi v=1 14 e - a1Delta v=1 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 1 2 a1Delta 11 0 2 17738.9418 Qf(11) : c1Phi v=1 11 e - a1Delta v=1 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 0 2 a1Delta 11 1 2 17738.9418 Qe(11) : c1Phi v=1 11 f - a1Delta v=1 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 1 2 a1Delta 9 0 2 17739.5584 Qf(9) : c1Phi v=1 9 e - a1Delta v=1 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 0 2 a1Delta 9 1 2 17739.5584 Qe(9) : c1Phi v=1 9 f - a1Delta v=1 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 0 2 a1Delta 8 1 2 17739.8276 Qf(8) : c1Phi v=1 8 e - a1Delta v=1 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 1 2 a1Delta 8 0 2 17739.8276 Qe(8) : c1Phi v=1 8 f - a1Delta v=1 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 7 0 2 a1Delta 7 1 2 17740.0588 Qe(7) : c1Phi v=1 7 f - a1Delta v=1 7 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 7 1 2 a1Delta 7 0 2 17740.0588 Qf(7) : c1Phi v=1 7 e - a1Delta v=1 7 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 6 0 2 a1Delta 6 1 2 17740.2549 Qf(6) : c1Phi v=1 6 e - a1Delta v=1 6 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 6 1 2 a1Delta 6 0 2 17740.2549 Qe(6) : c1Phi v=1 6 f - a1Delta v=1 6 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 53 1 1 a1Delta 54 0 1 17741.7846 Pe(54) : c1Phi v=0 53 e - a1Delta v=0 54 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 53 0 1 a1Delta 54 1 1 17741.7846 Pf(54) : c1Phi v=0 53 f - a1Delta v=0 54 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 1 1 a1Delta 52 0 1 17746.8770 Pe(52) : c1Phi v=0 51 e - a1Delta v=0 52 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 0 1 a1Delta 52 1 1 17746.8770 Pf(52) : c1Phi v=0 51 f - a1Delta v=0 52 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 0 1 a1Delta 51 1 1 17749.3758 Pe(51) : c1Phi v=0 50 e - a1Delta v=0 51 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 1 1 a1Delta 51 0 1 17749.3759 Pf(51) : c1Phi v=0 50 f - a1Delta v=0 51 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 0 2 a1Delta 12 1 2 17752.0673 Rf(12) : c1Phi v=1 13 f - a1Delta v=1 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 1 2 a1Delta 12 0 2 17752.0673 Re(12) : c1Phi v=1 13 e - a1Delta v=1 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 2 a1Delta 13 1 2 17752.7179 Re(13) : c1Phi v=1 14 e - a1Delta v=1 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 2 a1Delta 13 0 2 17752.7179 Rf(13) : c1Phi v=1 14 f - a1Delta v=1 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 2 a1Delta 14 0 2 17753.3415 Re(14) : c1Phi v=1 15 e - a1Delta v=1 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 2 a1Delta 14 1 2 17753.3415 Rf(14) : c1Phi v=1 15 f - a1Delta v=1 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 2 a1Delta 15 0 2 17753.9348 Rf(15) : c1Phi v=1 16 f - a1Delta v=1 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 2 a1Delta 15 1 2 17753.9348 Re(15) : c1Phi v=1 16 e - a1Delta v=1 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 0 2 a1Delta 16 1 2 17754.4989 Rf(16) : c1Phi v=1 17 f - a1Delta v=1 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 2 a1Delta 16 0 2 17754.4989 Re(16) : c1Phi v=1 17 e - a1Delta v=1 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 0 2 a1Delta 17 1 2 17755.0265 Re(17) : c1Phi v=1 18 e - a1Delta v=1 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 1 2 a1Delta 17 0 2 17755.0265 Rf(17) : c1Phi v=1 18 f - a1Delta v=1 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 2 a1Delta 18 0 2 17755.5296 Re(18) : c1Phi v=1 19 e - a1Delta v=1 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 2 a1Delta 18 1 2 17755.5296 Rf(18) : c1Phi v=1 19 f - a1Delta v=1 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 2 a1Delta 19 1 2 17756.0038 Re(19) : c1Phi v=1 20 e - a1Delta v=1 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 2 a1Delta 19 0 2 17756.0038 Rf(19) : c1Phi v=1 20 f - a1Delta v=1 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 2 a1Delta 21 0 2 17756.8618 Rf(21) : c1Phi v=1 22 f - a1Delta v=1 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 0 2 a1Delta 48 1 2 17756.8618 Rf(48) : c1Phi v=1 49 f - a1Delta v=1 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 1 2 a1Delta 48 0 2 17756.8618 Re(48) : c1Phi v=1 49 e - a1Delta v=1 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 2 a1Delta 21 1 2 17756.8618 Re(21) : c1Phi v=1 22 e - a1Delta v=1 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 0 2 a1Delta 47 1 2 17757.2393 Re(47) : c1Phi v=1 48 e - a1Delta v=1 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 2 a1Delta 22 0 2 17757.2393 Re(22) : c1Phi v=1 23 e - a1Delta v=1 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 1 2 a1Delta 47 0 2 17757.2393 Rf(47) : c1Phi v=1 48 f - a1Delta v=1 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 2 a1Delta 22 1 2 17757.2393 Rf(22) : c1Phi v=1 23 f - a1Delta v=1 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 1 2 a1Delta 46 0 2 17757.6006 Re(46) : c1Phi v=1 47 e - a1Delta v=1 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 2 a1Delta 23 1 2 17757.6006 Re(23) : c1Phi v=1 24 e - a1Delta v=1 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 0 2 a1Delta 46 1 2 17757.6006 Rf(46) : c1Phi v=1 47 f - a1Delta v=1 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 2 a1Delta 23 0 2 17757.6006 Rf(23) : c1Phi v=1 24 f - a1Delta v=1 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 0 2 a1Delta 45 1 2 17757.9281 Re(45) : c1Phi v=1 46 e - a1Delta v=1 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 1 2 a1Delta 45 0 2 17757.9281 Rf(45) : c1Phi v=1 46 f - a1Delta v=1 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 2 a1Delta 24 0 2 17757.9281 Re(24) : c1Phi v=1 25 e - a1Delta v=1 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 2 a1Delta 24 1 2 17757.9281 Rf(24) : c1Phi v=1 25 f - a1Delta v=1 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 2 a1Delta 44 1 2 17758.2278 Rf(44) : c1Phi v=1 45 f - a1Delta v=1 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 2 a1Delta 25 1 2 17758.2278 Re(25) : c1Phi v=1 26 e - a1Delta v=1 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 2 a1Delta 25 0 2 17758.2278 Rf(25) : c1Phi v=1 26 f - a1Delta v=1 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 2 a1Delta 44 0 2 17758.2278 Re(44) : c1Phi v=1 45 e - a1Delta v=1 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 2 a1Delta 42 1 2 17758.7351 Rf(42) : c1Phi v=1 43 f - a1Delta v=1 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 2 a1Delta 27 0 2 17758.7351 Rf(27) : c1Phi v=1 28 f - a1Delta v=1 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 2 a1Delta 27 1 2 17758.7351 Re(27) : c1Phi v=1 28 e - a1Delta v=1 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 2 a1Delta 42 0 2 17758.7351 Re(42) : c1Phi v=1 43 e - a1Delta v=1 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 1 2 a1Delta 41 0 2 17758.9472 Rf(41) : c1Phi v=1 42 f - a1Delta v=1 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 2 a1Delta 28 0 2 17758.9472 Re(28) : c1Phi v=1 29 e - a1Delta v=1 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 2 a1Delta 28 1 2 17758.9472 Rf(28) : c1Phi v=1 29 f - a1Delta v=1 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 0 2 a1Delta 41 1 2 17758.9472 Re(41) : c1Phi v=1 42 e - a1Delta v=1 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 0 2 a1Delta 40 1 2 17759.1155 Rf(40) : c1Phi v=1 41 f - a1Delta v=1 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 2 a1Delta 29 1 2 17759.1155 Re(29) : c1Phi v=1 30 e - a1Delta v=1 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 2 a1Delta 29 0 2 17759.1155 Rf(29) : c1Phi v=1 30 f - a1Delta v=1 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 1 2 a1Delta 40 0 2 17759.1155 Re(40) : c1Phi v=1 41 e - a1Delta v=1 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 2 a1Delta 39 0 2 17759.2727 Rf(39) : c1Phi v=1 40 f - a1Delta v=1 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 2 a1Delta 30 1 2 17759.2727 Rf(30) : c1Phi v=1 31 f - a1Delta v=1 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 2 a1Delta 39 1 2 17759.2727 Re(39) : c1Phi v=1 40 e - a1Delta v=1 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 2 a1Delta 30 0 2 17759.2727 Re(30) : c1Phi v=1 31 e - a1Delta v=1 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 2 a1Delta 31 1 2 17759.3949 Re(31) : c1Phi v=1 32 e - a1Delta v=1 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 2 a1Delta 38 0 2 17759.3949 Re(38) : c1Phi v=1 39 e - a1Delta v=1 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 2 a1Delta 38 1 2 17759.3949 Rf(38) : c1Phi v=1 39 f - a1Delta v=1 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 2 a1Delta 31 0 2 17759.3949 Rf(31) : c1Phi v=1 32 f - a1Delta v=1 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 1 a1Delta 46 1 1 17761.4656 Pf(46) : c1Phi v=0 45 f - a1Delta v=0 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 1 a1Delta 46 0 1 17761.4656 Pe(46) : c1Phi v=0 45 e - a1Delta v=0 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 1 1 a1Delta 45 0 1 17763.8083 Pf(45) : c1Phi v=0 44 f - a1Delta v=0 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 0 1 a1Delta 45 1 1 17763.8083 Pe(45) : c1Phi v=0 44 e - a1Delta v=0 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 1 a1Delta 44 1 1 17766.1185 Pf(44) : c1Phi v=0 43 f - a1Delta v=0 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 1 a1Delta 44 0 1 17766.1185 Pe(44) : c1Phi v=0 43 e - a1Delta v=0 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 1 1 a1Delta 43 0 1 17768.4076 Pf(43) : c1Phi v=0 42 f - a1Delta v=0 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 0 1 a1Delta 43 1 1 17768.4076 Pe(43) : c1Phi v=0 42 e - a1Delta v=0 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 1 1 a1Delta 42 0 1 17770.6584 Pe(42) : c1Phi v=0 41 e - a1Delta v=0 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 0 1 a1Delta 42 1 1 17770.6584 Pf(42) : c1Phi v=0 41 f - a1Delta v=0 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 1 a1Delta 41 0 1 17772.8939 Pf(41) : c1Phi v=0 40 f - a1Delta v=0 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 1 a1Delta 41 1 1 17772.8939 Pe(41) : c1Phi v=0 40 e - a1Delta v=0 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 1 a1Delta 40 1 1 17775.0935 Pf(40) : c1Phi v=0 39 f - a1Delta v=0 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 1 a1Delta 40 0 1 17775.0935 Pe(40) : c1Phi v=0 39 e - a1Delta v=0 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 1 a1Delta 38 1 1 17779.4158 Pf(38) : c1Phi v=0 37 f - a1Delta v=0 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 1 a1Delta 38 0 1 17779.4158 Pe(38) : c1Phi v=0 37 e - a1Delta v=0 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 1 a1Delta 37 0 1 17781.5403 Pf(37) : c1Phi v=0 36 f - a1Delta v=0 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 1 a1Delta 37 1 1 17781.5403 Pe(37) : c1Phi v=0 36 e - a1Delta v=0 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 1 1 a1Delta 36 0 1 17783.6381 Pe(36) : c1Phi v=0 35 e - a1Delta v=0 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 0 1 a1Delta 36 1 1 17783.6381 Pf(36) : c1Phi v=0 35 f - a1Delta v=0 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 62 0 1 a1Delta 62 1 1 17784.4706 Qf(62) : c1Phi v=0 62 e - a1Delta v=0 62 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 62 1 1 a1Delta 62 0 1 17784.4706 Qe(62) : c1Phi v=0 62 f - a1Delta v=0 62 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 1 a1Delta 35 1 1 17785.7082 Pe(35) : c1Phi v=0 34 e - a1Delta v=0 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 1 a1Delta 35 0 1 17785.7082 Pf(35) : c1Phi v=0 34 f - a1Delta v=0 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 61 0 1 a1Delta 61 1 1 17786.2336 Qe(61) : c1Phi v=0 61 f - a1Delta v=0 61 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 61 1 1 a1Delta 61 0 1 17786.2336 Qf(61) : c1Phi v=0 61 e - a1Delta v=0 61 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 1 a1Delta 34 1 1 17787.7477 Pf(34) : c1Phi v=0 33 f - a1Delta v=0 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 1 a1Delta 34 0 1 17787.7477 Pe(34) : c1Phi v=0 33 e - a1Delta v=0 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 60 1 1 a1Delta 60 0 1 17787.9690 Qe(60) : c1Phi v=0 60 f - a1Delta v=0 60 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 60 0 1 a1Delta 60 1 1 17787.9690 Qf(60) : c1Phi v=0 60 e - a1Delta v=0 60 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 0 1 a1Delta 58 1 1 17791.3566 Qf(58) : c1Phi v=0 58 e - a1Delta v=0 58 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 58 1 1 a1Delta 58 0 1 17791.3566 Qe(58) : c1Phi v=0 58 f - a1Delta v=0 58 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 1 a1Delta 32 0 1 17791.7500 Pe(32) : c1Phi v=0 31 e - a1Delta v=0 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 1 a1Delta 32 1 1 17791.7500 Pf(32) : c1Phi v=0 31 f - a1Delta v=0 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 57 0 1 a1Delta 57 1 1 17793.0120 Qe(57) : c1Phi v=0 57 f - a1Delta v=0 57 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 57 1 1 a1Delta 57 0 1 17793.0120 Qf(57) : c1Phi v=0 57 e - a1Delta v=0 57 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 1 a1Delta 31 1 1 17793.7100 Pe(31) : c1Phi v=0 30 e - a1Delta v=0 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 1 a1Delta 31 0 1 17793.7100 Pf(31) : c1Phi v=0 30 f - a1Delta v=0 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 56 1 1 a1Delta 56 0 1 17794.6328 Qe(56) : c1Phi v=0 56 f - a1Delta v=0 56 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 56 0 1 a1Delta 56 1 1 17794.6328 Qf(56) : c1Phi v=0 56 e - a1Delta v=0 56 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 1 a1Delta 30 0 1 17795.6446 Pe(30) : c1Phi v=0 29 e - a1Delta v=0 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 1 a1Delta 30 1 1 17795.6446 Pf(30) : c1Phi v=0 29 f - a1Delta v=0 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 1 a1Delta 29 1 1 17797.5588 Pe(29) : c1Phi v=0 28 e - a1Delta v=0 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 1 a1Delta 29 0 1 17797.5588 Pf(29) : c1Phi v=0 28 f - a1Delta v=0 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 54 1 1 a1Delta 54 0 1 17797.7841 Qe(54) : c1Phi v=0 54 f - a1Delta v=0 54 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 54 0 1 a1Delta 54 1 1 17797.7841 Qf(54) : c1Phi v=0 54 e - a1Delta v=0 54 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 1 1 a1Delta 52 0 1 17800.8237 Qe(52) : c1Phi v=0 52 f - a1Delta v=0 52 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 0 1 a1Delta 52 1 1 17800.8237 Qf(52) : c1Phi v=0 52 e - a1Delta v=0 52 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 1 a1Delta 27 0 1 17801.2842 Pf(27) : c1Phi v=0 26 f - a1Delta v=0 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 1 a1Delta 27 1 1 17801.2842 Pe(27) : c1Phi v=0 26 e - a1Delta v=0 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 0 1 a1Delta 51 1 1 17802.2995 Qe(51) : c1Phi v=0 51 f - a1Delta v=0 51 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 1 1 a1Delta 51 0 1 17802.2995 Qf(51) : c1Phi v=0 51 e - a1Delta v=0 51 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 1 a1Delta 26 0 1 17803.1062 Pe(26) : c1Phi v=0 25 e - a1Delta v=0 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 1 a1Delta 26 1 1 17803.1062 Pf(26) : c1Phi v=0 25 f - a1Delta v=0 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 1 1 a1Delta 50 0 1 17803.7529 Qe(50) : c1Phi v=0 50 f - a1Delta v=0 50 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 0 1 a1Delta 50 1 1 17803.7529 Qf(50) : c1Phi v=0 50 e - a1Delta v=0 50 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 1 a1Delta 25 1 1 17804.9065 Pe(25) : c1Phi v=0 24 e - a1Delta v=0 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 1 a1Delta 25 0 1 17804.9065 Pf(25) : c1Phi v=0 24 f - a1Delta v=0 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 1 1 a1Delta 49 0 1 17805.1673 Qf(49) : c1Phi v=0 49 e - a1Delta v=0 49 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 0 1 a1Delta 49 1 1 17805.1673 Qe(49) : c1Phi v=0 49 f - a1Delta v=0 49 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 1 1 a1Delta 48 0 1 17806.5591 Qe(48) : c1Phi v=0 48 f - a1Delta v=0 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 0 1 a1Delta 48 1 1 17806.5591 Qf(48) : c1Phi v=0 48 e - a1Delta v=0 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 1 a1Delta 24 1 1 17806.6751 Pf(24) : c1Phi v=0 23 f - a1Delta v=0 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 1 a1Delta 24 0 1 17806.6751 Pe(24) : c1Phi v=0 23 e - a1Delta v=0 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 1 1 a1Delta 47 0 1 17807.9259 Qf(47) : c1Phi v=0 47 e - a1Delta v=0 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 0 1 a1Delta 47 1 1 17807.9259 Qe(47) : c1Phi v=0 47 f - a1Delta v=0 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 1 a1Delta 23 0 1 17808.4152 Pf(23) : c1Phi v=0 22 f - a1Delta v=0 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 1 a1Delta 23 1 1 17808.4152 Pe(23) : c1Phi v=0 22 e - a1Delta v=0 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 1 1 a1Delta 46 0 1 17809.2634 Qe(46) : c1Phi v=0 46 f - a1Delta v=0 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 0 1 a1Delta 46 1 1 17809.2634 Qf(46) : c1Phi v=0 46 e - a1Delta v=0 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 1 a1Delta 22 1 1 17810.1227 Pf(22) : c1Phi v=0 21 f - a1Delta v=0 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 1 a1Delta 22 0 1 17810.1227 Pe(22) : c1Phi v=0 21 e - a1Delta v=0 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 1 a1Delta 45 1 1 17810.5704 Qe(45) : c1Phi v=0 45 f - a1Delta v=0 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 1 a1Delta 45 0 1 17810.5704 Qf(45) : c1Phi v=0 45 e - a1Delta v=0 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 1 1 a1Delta 44 0 1 17811.8388 Qe(44) : c1Phi v=0 44 f - a1Delta v=0 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 1 a1Delta 21 1 1 17811.8388 Pe(21) : c1Phi v=0 20 e - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 0 1 a1Delta 44 1 1 17811.8388 Qf(44) : c1Phi v=0 44 e - a1Delta v=0 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 1 a1Delta 21 0 1 17811.8388 Pf(21) : c1Phi v=0 20 f - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 1 a1Delta 43 1 1 17813.1042 Qe(43) : c1Phi v=0 43 f - a1Delta v=0 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 1 a1Delta 43 0 1 17813.1042 Qf(43) : c1Phi v=0 43 e - a1Delta v=0 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 1 a1Delta 20 1 1 17813.4762 Pf(20) : c1Phi v=0 19 f - a1Delta v=0 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 1 a1Delta 20 0 1 17813.4762 Pe(20) : c1Phi v=0 19 e - a1Delta v=0 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 0 1 a1Delta 42 1 1 17814.3302 Qf(42) : c1Phi v=0 42 e - a1Delta v=0 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 42 1 1 a1Delta 42 0 1 17814.3302 Qe(42) : c1Phi v=0 42 f - a1Delta v=0 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 1 1 a1Delta 19 0 1 17815.1092 Pf(19) : c1Phi v=0 18 f - a1Delta v=0 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 0 1 a1Delta 19 1 1 17815.1092 Pe(19) : c1Phi v=0 18 e - a1Delta v=0 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 1 1 a1Delta 41 0 1 17815.5272 Qf(41) : c1Phi v=0 41 e - a1Delta v=0 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 0 1 a1Delta 41 1 1 17815.5272 Qe(41) : c1Phi v=0 41 f - a1Delta v=0 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 1 a1Delta 18 0 1 17816.6992 Pe(18) : c1Phi v=0 17 e - a1Delta v=0 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 1 a1Delta 40 1 1 17816.6992 Qf(40) : c1Phi v=0 40 e - a1Delta v=0 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 0 1 a1Delta 18 1 1 17816.6992 Pf(18) : c1Phi v=0 17 f - a1Delta v=0 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 1 a1Delta 40 0 1 17816.6992 Qe(40) : c1Phi v=0 40 f - a1Delta v=0 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 1 a1Delta 39 0 1 17817.8387 Qf(39) : c1Phi v=0 39 e - a1Delta v=0 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 1 a1Delta 39 1 1 17817.8387 Qe(39) : c1Phi v=0 39 f - a1Delta v=0 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 1 a1Delta 17 0 1 17818.2799 Pf(17) : c1Phi v=0 16 f - a1Delta v=0 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 1 a1Delta 17 1 1 17818.2799 Pe(17) : c1Phi v=0 16 e - a1Delta v=0 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 1 a1Delta 38 1 1 17818.9553 Qf(38) : c1Phi v=0 38 e - a1Delta v=0 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 1 a1Delta 38 0 1 17818.9553 Qe(38) : c1Phi v=0 38 f - a1Delta v=0 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 1 a1Delta 16 0 1 17819.8309 Pe(16) : c1Phi v=0 15 e - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 1 a1Delta 16 1 1 17819.8309 Pf(16) : c1Phi v=0 15 f - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 1 a1Delta 37 0 1 17820.0415 Qf(37) : c1Phi v=0 37 e - a1Delta v=0 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 1 a1Delta 37 1 1 17820.0415 Qe(37) : c1Phi v=0 37 f - a1Delta v=0 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 1 1 a1Delta 36 0 1 17821.1025 Qe(36) : c1Phi v=0 36 f - a1Delta v=0 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 36 0 1 a1Delta 36 1 1 17821.1025 Qf(36) : c1Phi v=0 36 e - a1Delta v=0 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 1 1 a1Delta 35 0 1 17822.1354 Qf(35) : c1Phi v=0 35 e - a1Delta v=0 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 0 1 a1Delta 35 1 1 17822.1354 Qe(35) : c1Phi v=0 35 f - a1Delta v=0 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 0 1 a1Delta 14 1 1 17822.8384 Pf(14) : c1Phi v=0 13 f - a1Delta v=0 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 1 1 a1Delta 14 0 1 17822.8384 Pe(14) : c1Phi v=0 13 e - a1Delta v=0 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 1 a1Delta 34 0 1 17823.1404 Qe(34) : c1Phi v=0 34 f - a1Delta v=0 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 1 a1Delta 34 1 1 17823.1404 Qf(34) : c1Phi v=0 34 e - a1Delta v=0 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 1 a1Delta 33 1 1 17824.1173 Qe(33) : c1Phi v=0 33 f - a1Delta v=0 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 1 a1Delta 33 0 1 17824.1173 Qf(33) : c1Phi v=0 33 e - a1Delta v=0 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 1 1 a1Delta 13 0 1 17824.2648 Pf(13) : c1Phi v=0 12 f - a1Delta v=0 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 0 1 a1Delta 13 1 1 17824.2648 Pe(13) : c1Phi v=0 12 e - a1Delta v=0 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 1 a1Delta 32 0 1 17825.0684 Qe(32) : c1Phi v=0 32 f - a1Delta v=0 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 1 a1Delta 32 1 1 17825.0684 Qf(32) : c1Phi v=0 32 e - a1Delta v=0 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 1 1 a1Delta 12 0 1 17825.7295 Pe(12) : c1Phi v=0 11 e - a1Delta v=0 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 0 1 a1Delta 12 1 1 17825.7295 Pf(12) : c1Phi v=0 11 f - a1Delta v=0 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 1 a1Delta 31 1 1 17825.9898 Qe(31) : c1Phi v=0 31 f - a1Delta v=0 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 1 a1Delta 31 0 1 17825.9898 Qf(31) : c1Phi v=0 31 e - a1Delta v=0 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 1 a1Delta 30 0 1 17826.8873 Qe(30) : c1Phi v=0 30 f - a1Delta v=0 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 1 a1Delta 30 1 1 17826.8873 Qf(30) : c1Phi v=0 30 e - a1Delta v=0 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 10 0 1 a1Delta 11 1 1 17827.1011 Pe(11) : c1Phi v=0 10 e - a1Delta v=0 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 10 1 1 a1Delta 11 0 1 17827.1011 Pf(11) : c1Phi v=0 10 f - a1Delta v=0 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 10 1 1 a1Delta 11 0 1 17827.1015 Pf(11) : c1Phi v=0 10 f - a1Delta v=0 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 10 0 1 a1Delta 11 1 1 17827.1015 Pe(11) : c1Phi v=0 10 e - a1Delta v=0 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 1 a1Delta 29 1 1 17827.7543 Qe(29) : c1Phi v=0 29 f - a1Delta v=0 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 1 a1Delta 29 0 1 17827.7543 Qf(29) : c1Phi v=0 29 e - a1Delta v=0 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 1 a1Delta 28 0 1 17828.5962 Qe(28) : c1Phi v=0 28 f - a1Delta v=0 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 1 a1Delta 28 1 1 17828.5962 Qf(28) : c1Phi v=0 28 e - a1Delta v=0 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 1 a1Delta 27 1 1 17829.4080 Qe(27) : c1Phi v=0 27 f - a1Delta v=0 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 1 a1Delta 27 0 1 17829.4080 Qf(27) : c1Phi v=0 27 e - a1Delta v=0 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 1 a1Delta 26 1 1 17830.1918 Qf(26) : c1Phi v=0 26 e - a1Delta v=0 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 1 a1Delta 26 0 1 17830.1918 Qe(26) : c1Phi v=0 26 f - a1Delta v=0 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 1 a1Delta 25 0 1 17830.9501 Qf(25) : c1Phi v=0 25 e - a1Delta v=0 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 1 a1Delta 25 1 1 17830.9501 Qe(25) : c1Phi v=0 25 f - a1Delta v=0 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 1 a1Delta 24 0 1 17831.6788 Qe(24) : c1Phi v=0 24 f - a1Delta v=0 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 1 a1Delta 24 1 1 17831.6788 Qf(24) : c1Phi v=0 24 e - a1Delta v=0 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 1 a1Delta 23 0 1 17832.3824 Qf(23) : c1Phi v=0 23 e - a1Delta v=0 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 1 a1Delta 23 1 1 17832.3824 Qe(23) : c1Phi v=0 23 f - a1Delta v=0 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 1 a1Delta 22 1 1 17833.0520 Qf(22) : c1Phi v=0 22 e - a1Delta v=0 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 1 a1Delta 22 0 1 17833.0520 Qe(22) : c1Phi v=0 22 f - a1Delta v=0 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 1 a1Delta 21 0 1 17833.6949 Qf(21) : c1Phi v=0 21 e - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 1 a1Delta 21 1 1 17833.6949 Qe(21) : c1Phi v=0 21 f - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 1 a1Delta 20 0 1 17834.3177 Qe(20) : c1Phi v=0 20 f - a1Delta v=0 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 1 a1Delta 20 1 1 17834.3177 Qf(20) : c1Phi v=0 20 e - a1Delta v=0 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 1 a1Delta 19 1 1 17834.9028 Qe(19) : c1Phi v=0 19 f - a1Delta v=0 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 1 a1Delta 19 0 1 17834.9028 Qf(19) : c1Phi v=0 19 e - a1Delta v=0 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 1 1 a1Delta 18 0 1 17835.4646 Qe(18) : c1Phi v=0 18 f - a1Delta v=0 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 0 1 a1Delta 18 1 1 17835.4646 Qf(18) : c1Phi v=0 18 e - a1Delta v=0 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 1 a1Delta 17 0 1 17835.9969 Qf(17) : c1Phi v=0 17 e - a1Delta v=0 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 0 1 a1Delta 17 1 1 17835.9969 Qe(17) : c1Phi v=0 17 f - a1Delta v=0 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 1 a1Delta 16 1 1 17836.5007 Qf(16) : c1Phi v=0 16 e - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 1 a1Delta 16 0 1 17836.5007 Qe(16) : c1Phi v=0 16 f - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 1 a1Delta 15 0 1 17836.9777 Qf(15) : c1Phi v=0 15 e - a1Delta v=0 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 1 a1Delta 15 1 1 17836.9777 Qe(15) : c1Phi v=0 15 f - a1Delta v=0 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 1 a1Delta 14 1 1 17837.4231 Qf(14) : c1Phi v=0 14 e - a1Delta v=0 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 1 a1Delta 14 0 1 17837.4231 Qe(14) : c1Phi v=0 14 f - a1Delta v=0 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 1 1 a1Delta 13 0 1 17837.8410 Qf(13) : c1Phi v=0 13 e - a1Delta v=0 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 0 1 a1Delta 13 1 1 17837.8410 Qe(13) : c1Phi v=0 13 f - a1Delta v=0 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 1 1 a1Delta 12 0 1 17838.2229 Qe(12) : c1Phi v=0 12 f - a1Delta v=0 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 0 1 a1Delta 12 1 1 17838.2229 Qf(12) : c1Phi v=0 12 e - a1Delta v=0 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 1 1 a1Delta 11 0 1 17838.5830 Qf(11) : c1Phi v=0 11 e - a1Delta v=0 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 0 1 a1Delta 11 1 1 17838.5830 Qe(11) : c1Phi v=0 11 f - a1Delta v=0 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 10 1 1 a1Delta 10 0 1 17838.9081 Qe(10) : c1Phi v=0 10 f - a1Delta v=0 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 10 0 1 a1Delta 10 1 1 17838.9081 Qf(10) : c1Phi v=0 10 e - a1Delta v=0 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 1 1 a1Delta 9 0 1 17839.2083 Qf(9) : c1Phi v=0 9 e - a1Delta v=0 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 0 1 a1Delta 9 1 1 17839.2083 Qe(9) : c1Phi v=0 9 f - a1Delta v=0 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 1 1 a1Delta 8 0 1 17839.4779 Qe(8) : c1Phi v=0 8 f - a1Delta v=0 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 0 1 a1Delta 8 1 1 17839.4779 Qf(8) : c1Phi v=0 8 e - a1Delta v=0 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 7 0 1 a1Delta 7 1 1 17839.7149 Qe(7) : c1Phi v=0 7 f - a1Delta v=0 7 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 7 1 1 a1Delta 7 0 1 17839.7149 Qf(7) : c1Phi v=0 7 e - a1Delta v=0 7 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 6 0 1 a1Delta 6 1 1 17839.9256 Qf(6) : c1Phi v=0 6 e - a1Delta v=0 6 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 6 1 1 a1Delta 6 0 1 17839.9256 Qe(6) : c1Phi v=0 6 f - a1Delta v=0 6 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 5 1 1 a1Delta 5 0 1 17840.1085 Qf(5) : c1Phi v=0 5 e - a1Delta v=0 5 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 5 0 1 a1Delta 5 1 1 17840.1085 Qe(5) : c1Phi v=0 5 f - a1Delta v=0 5 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 4 0 1 a1Delta 4 1 1 17840.2455 Qf(4) : c1Phi v=0 4 e - a1Delta v=0 4 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 4 1 1 a1Delta 4 0 1 17840.2455 Qe(4) : c1Phi v=0 4 f - a1Delta v=0 4 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 3 0 1 a1Delta 3 1 1 17840.3845 Qe(3) : c1Phi v=0 3 f - a1Delta v=0 3 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 3 1 1 a1Delta 3 0 1 17840.3845 Qf(3) : c1Phi v=0 3 e - a1Delta v=0 3 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 6 0 1 a1Delta 5 1 1 17846.3453 Re(5) : c1Phi v=0 6 e - a1Delta v=0 5 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 6 1 1 a1Delta 5 0 1 17846.3453 Rf(5) : c1Phi v=0 6 f - a1Delta v=0 5 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 7 1 1 a1Delta 6 0 1 17847.2120 Re(6) : c1Phi v=0 7 e - a1Delta v=0 6 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 7 0 1 a1Delta 6 1 1 17847.2120 Rf(6) : c1Phi v=0 7 f - a1Delta v=0 6 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 1 1 a1Delta 7 0 1 17848.0506 Rf(7) : c1Phi v=0 8 f - a1Delta v=0 7 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 8 0 1 a1Delta 7 1 1 17848.0506 Re(7) : c1Phi v=0 8 e - a1Delta v=0 7 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 1 1 a1Delta 8 0 1 17848.8560 Re(8) : c1Phi v=0 9 e - a1Delta v=0 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 9 0 1 a1Delta 8 1 1 17848.8560 Rf(8) : c1Phi v=0 9 f - a1Delta v=0 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 0 1 a1Delta 10 1 1 17850.3807 Rf(10) : c1Phi v=0 11 f - a1Delta v=0 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 11 1 1 a1Delta 10 0 1 17850.3807 Re(10) : c1Phi v=0 11 e - a1Delta v=0 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 0 1 a1Delta 11 1 1 17851.0975 Re(11) : c1Phi v=0 12 e - a1Delta v=0 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 12 1 1 a1Delta 11 0 1 17851.0975 Rf(11) : c1Phi v=0 12 f - a1Delta v=0 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 0 1 a1Delta 12 1 1 17851.7830 Rf(12) : c1Phi v=0 13 f - a1Delta v=0 12 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 13 1 1 a1Delta 12 0 1 17851.7830 Re(12) : c1Phi v=0 13 e - a1Delta v=0 12 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 1 1 a1Delta 13 0 1 17852.4367 Rf(13) : c1Phi v=0 14 f - a1Delta v=0 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 14 0 1 a1Delta 13 1 1 17852.4367 Re(13) : c1Phi v=0 14 e - a1Delta v=0 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 1 a1Delta 14 1 1 17853.0647 Rf(14) : c1Phi v=0 15 f - a1Delta v=0 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 1 a1Delta 14 0 1 17853.0647 Re(14) : c1Phi v=0 15 e - a1Delta v=0 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 0 1 a1Delta 15 1 1 17853.6622 Re(15) : c1Phi v=0 16 e - a1Delta v=0 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 16 1 1 a1Delta 15 0 1 17853.6622 Rf(15) : c1Phi v=0 16 f - a1Delta v=0 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 1 a1Delta 16 0 1 17854.2235 Re(16) : c1Phi v=0 17 e - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 0 1 a1Delta 16 1 1 17854.2235 Rf(16) : c1Phi v=0 17 f - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 0 1 a1Delta 17 1 1 17854.7701 Re(17) : c1Phi v=0 18 e - a1Delta v=0 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 18 1 1 a1Delta 17 0 1 17854.7701 Rf(17) : c1Phi v=0 18 f - a1Delta v=0 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 1 a1Delta 18 0 1 17855.2808 Re(18) : c1Phi v=0 19 e - a1Delta v=0 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 1 a1Delta 18 1 1 17855.2808 Rf(18) : c1Phi v=0 19 f - a1Delta v=0 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 1 a1Delta 19 1 1 17855.7666 Re(19) : c1Phi v=0 20 e - a1Delta v=0 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 1 a1Delta 19 0 1 17855.7666 Rf(19) : c1Phi v=0 20 f - a1Delta v=0 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 1 a1Delta 20 1 1 17856.2206 Rf(20) : c1Phi v=0 21 f - a1Delta v=0 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 1 a1Delta 20 0 1 17856.2206 Re(20) : c1Phi v=0 21 e - a1Delta v=0 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 1 1 a1Delta 51 0 1 17856.2206 Rf(51) : c1Phi v=0 52 f - a1Delta v=0 51 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 52 0 1 a1Delta 51 1 1 17856.2206 Re(51) : c1Phi v=0 52 e - a1Delta v=0 51 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 0 1 a1Delta 50 1 1 17856.6461 Rf(50) : c1Phi v=0 51 f - a1Delta v=0 50 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 51 1 1 a1Delta 50 0 1 17856.6461 Re(50) : c1Phi v=0 51 e - a1Delta v=0 50 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 1 a1Delta 21 0 1 17856.6461 Rf(21) : c1Phi v=0 22 f - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 1 a1Delta 21 1 1 17856.6461 Re(21) : c1Phi v=0 22 e - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 1 1 a1Delta 49 0 1 17857.0423 Rf(49) : c1Phi v=0 50 f - a1Delta v=0 49 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 50 0 1 a1Delta 49 1 1 17857.0423 Re(49) : c1Phi v=0 50 e - a1Delta v=0 49 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 1 a1Delta 22 1 1 17857.0423 Rf(22) : c1Phi v=0 23 f - a1Delta v=0 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 1 a1Delta 22 0 1 17857.0423 Re(22) : c1Phi v=0 23 e - a1Delta v=0 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 1 1 a1Delta 48 0 1 17857.4109 Re(48) : c1Phi v=0 49 e - a1Delta v=0 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 1 a1Delta 23 0 1 17857.4109 Rf(23) : c1Phi v=0 24 f - a1Delta v=0 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 49 0 1 a1Delta 48 1 1 17857.4109 Rf(48) : c1Phi v=0 49 f - a1Delta v=0 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 1 a1Delta 23 1 1 17857.4109 Re(23) : c1Phi v=0 24 e - a1Delta v=0 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 1 a1Delta 24 0 1 17857.7511 Re(24) : c1Phi v=0 25 e - a1Delta v=0 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 0 1 a1Delta 47 1 1 17857.7511 Re(47) : c1Phi v=0 48 e - a1Delta v=0 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 1 a1Delta 24 1 1 17857.7511 Rf(24) : c1Phi v=0 25 f - a1Delta v=0 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 48 1 1 a1Delta 47 0 1 17857.7511 Rf(47) : c1Phi v=0 48 f - a1Delta v=0 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 1 1 a1Delta 46 0 1 17858.0588 Re(46) : c1Phi v=0 47 e - a1Delta v=0 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 47 0 1 a1Delta 46 1 1 17858.0588 Rf(46) : c1Phi v=0 47 f - a1Delta v=0 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 1 a1Delta 25 0 1 17858.0588 Rf(25) : c1Phi v=0 26 f - a1Delta v=0 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 1 a1Delta 25 1 1 17858.0588 Re(25) : c1Phi v=0 26 e - a1Delta v=0 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 1 1 a1Delta 45 0 1 17858.3418 Rf(45) : c1Phi v=0 46 f - a1Delta v=0 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 1 a1Delta 26 1 1 17858.3418 Rf(26) : c1Phi v=0 27 f - a1Delta v=0 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 46 0 1 a1Delta 45 1 1 17858.3418 Re(45) : c1Phi v=0 46 e - a1Delta v=0 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 1 a1Delta 26 0 1 17858.3418 Re(26) : c1Phi v=0 27 e - a1Delta v=0 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 0 1 a1Delta 44 1 1 17858.5888 Rf(44) : c1Phi v=0 45 f - a1Delta v=0 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 45 1 1 a1Delta 44 0 1 17858.5888 Re(44) : c1Phi v=0 45 e - a1Delta v=0 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 1 a1Delta 27 0 1 17858.5888 Rf(27) : c1Phi v=0 28 f - a1Delta v=0 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 1 a1Delta 27 1 1 17858.5888 Re(27) : c1Phi v=0 28 e - a1Delta v=0 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 0 1 a1Delta 43 1 1 17858.8210 Re(43) : c1Phi v=0 44 e - a1Delta v=0 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 1 a1Delta 28 1 1 17858.8210 Rf(28) : c1Phi v=0 29 f - a1Delta v=0 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 1 a1Delta 28 0 1 17858.8210 Re(28) : c1Phi v=0 29 e - a1Delta v=0 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 1 1 a1Delta 43 0 1 17858.8210 Rf(43) : c1Phi v=0 44 f - a1Delta v=0 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 0 1 a1Delta 42 1 1 17859.0122 Rf(42) : c1Phi v=0 43 f - a1Delta v=0 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 1 a1Delta 29 0 1 17859.0122 Rf(29) : c1Phi v=0 30 f - a1Delta v=0 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 43 1 1 a1Delta 42 0 1 17859.0122 Re(42) : c1Phi v=0 43 e - a1Delta v=0 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 1 a1Delta 29 1 1 17859.0122 Re(29) : c1Phi v=0 30 e - a1Delta v=0 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 0 1 a1Delta 40 1 1 17859.3157 Rf(40) : c1Phi v=0 41 f - a1Delta v=0 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 1 a1Delta 31 1 1 17859.3157 Re(31) : c1Phi v=0 32 e - a1Delta v=0 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 1 a1Delta 31 0 1 17859.3157 Rf(31) : c1Phi v=0 32 f - a1Delta v=0 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 1 1 a1Delta 40 0 1 17859.3157 Re(40) : c1Phi v=0 41 e - a1Delta v=0 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 0 2 a1Delta 29 1 3 17872.7314 Pe(29) : f1Delta v=1 28 e - a1Delta v=2 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 1 2 a1Delta 29 0 3 17872.7314 Pf(29) : f1Delta v=1 28 f - a1Delta v=2 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 1 2 a1Delta 28 0 3 17875.5083 Pe(28) : f1Delta v=1 27 e - a1Delta v=2 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 0 2 a1Delta 28 1 3 17875.5083 Pf(28) : f1Delta v=1 27 f - a1Delta v=2 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 1 2 a1Delta 27 0 3 17878.2450 Pf(27) : f1Delta v=1 26 f - a1Delta v=2 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 0 2 a1Delta 27 1 3 17878.2450 Pe(27) : f1Delta v=1 26 e - a1Delta v=2 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 1 2 a1Delta 26 0 3 17880.9183 Pe(26) : f1Delta v=1 25 e - a1Delta v=2 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 0 2 a1Delta 26 1 3 17880.9183 Pf(26) : f1Delta v=1 25 f - a1Delta v=2 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 1 2 a1Delta 25 0 3 17883.5274 Pf(25) : f1Delta v=1 24 f - a1Delta v=2 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 0 2 a1Delta 25 1 3 17883.5274 Pe(25) : f1Delta v=1 24 e - a1Delta v=2 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 1 2 a1Delta 23 0 3 17888.5224 Pf(23) : f1Delta v=1 22 f - a1Delta v=2 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 0 2 a1Delta 23 1 3 17888.5224 Pe(23) : f1Delta v=1 22 e - a1Delta v=2 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 1 2 a1Delta 22 0 3 17890.9525 Pe(22) : f1Delta v=1 21 e - a1Delta v=2 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 0 2 a1Delta 22 1 3 17890.9525 Pf(22) : f1Delta v=1 21 f - a1Delta v=2 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 54 0 2 a1Delta 53 1 3 17893.0277 Re(53) : f1Delta v=1 54 e - a1Delta v=2 53 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 54 1 2 a1Delta 53 0 3 17893.0277 Rf(53) : f1Delta v=1 54 f - a1Delta v=2 53 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 0 2 a1Delta 21 1 3 17893.3207 Pe(21) : f1Delta v=1 20 e - a1Delta v=2 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 1 2 a1Delta 21 0 3 17893.3207 Pf(21) : f1Delta v=1 20 f - a1Delta v=2 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 19 0 2 a1Delta 20 1 3 17895.6009 Pf(20) : f1Delta v=1 19 f - a1Delta v=2 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 19 1 2 a1Delta 20 0 3 17895.6009 Pe(20) : f1Delta v=1 19 e - a1Delta v=2 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 0 2 a1Delta 17 1 3 17902.1275 Pe(17) : f1Delta v=1 16 e - a1Delta v=2 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 1 2 a1Delta 17 0 3 17902.1275 Pf(17) : f1Delta v=1 16 f - a1Delta v=2 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 9 0 2 a1Delta 10 1 3 17915.2199 Pf(10) : f1Delta v=1 9 f - a1Delta v=2 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 9 1 2 a1Delta 10 0 3 17915.2199 Pe(10) : f1Delta v=1 9 e - a1Delta v=2 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 43 0 2 a1Delta 42 1 3 17915.2199 Rf(42) : f1Delta v=1 43 f - a1Delta v=2 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 43 1 2 a1Delta 42 0 3 17915.2199 Re(42) : f1Delta v=1 43 e - a1Delta v=2 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 8 1 2 a1Delta 9 0 3 17916.8399 Pf(9) : f1Delta v=1 8 f - a1Delta v=2 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 42 1 2 a1Delta 41 0 3 17916.8399 Rf(41) : f1Delta v=1 42 f - a1Delta v=2 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 42 0 2 a1Delta 41 1 3 17916.8399 Re(41) : f1Delta v=1 42 e - a1Delta v=2 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 8 0 2 a1Delta 9 1 3 17916.8399 Pe(9) : f1Delta v=1 8 e - a1Delta v=2 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 42 0 1 a1Delta 43 1 2 17958.0445 Pe(43) : f1Delta v=0 42 e - a1Delta v=1 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 42 1 1 a1Delta 43 0 2 17958.0445 Pf(43) : f1Delta v=0 42 f - a1Delta v=1 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 0 1 a1Delta 41 1 2 17965.3154 Pe(41) : f1Delta v=0 40 e - a1Delta v=1 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 1 1 a1Delta 41 0 2 17965.3154 Pf(41) : f1Delta v=0 40 f - a1Delta v=1 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 38 1 1 a1Delta 39 0 2 17972.3335 Pf(39) : f1Delta v=0 38 f - a1Delta v=1 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 38 0 1 a1Delta 39 1 2 17972.3335 Pe(39) : f1Delta v=0 38 e - a1Delta v=1 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 0 1 a1Delta 38 1 2 17975.7659 Pf(38) : f1Delta v=0 37 f - a1Delta v=1 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 1 1 a1Delta 38 0 2 17975.7659 Pe(38) : f1Delta v=0 37 e - a1Delta v=1 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 36 0 1 a1Delta 37 1 2 17979.1035 Pe(37) : f1Delta v=0 36 e - a1Delta v=1 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 36 1 1 a1Delta 37 0 2 17979.1035 Pf(37) : f1Delta v=0 36 f - a1Delta v=1 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 0 1 a1Delta 36 1 2 17982.4083 Pf(36) : f1Delta v=0 35 f - a1Delta v=1 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 1 1 a1Delta 36 0 2 17982.4083 Pe(36) : f1Delta v=0 35 e - a1Delta v=1 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 34 1 1 a1Delta 35 0 2 17985.6198 Pf(35) : f1Delta v=0 34 f - a1Delta v=1 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 34 0 1 a1Delta 35 1 2 17985.6198 Pe(35) : f1Delta v=0 34 e - a1Delta v=1 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 0 1 a1Delta 34 1 2 17988.7956 Pf(34) : f1Delta v=0 33 f - a1Delta v=1 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 1 1 a1Delta 34 0 2 17988.7956 Pe(34) : f1Delta v=0 33 e - a1Delta v=1 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 0 1 a1Delta 33 1 2 17991.9048 Pe(33) : f1Delta v=0 32 e - a1Delta v=1 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 1 1 a1Delta 33 0 2 17991.9048 Pf(33) : f1Delta v=0 32 f - a1Delta v=1 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 1 1 a1Delta 32 0 2 17994.9451 Pe(32) : f1Delta v=0 31 e - a1Delta v=1 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 0 1 a1Delta 32 1 2 17994.9451 Pf(32) : f1Delta v=0 31 f - a1Delta v=1 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 0 1 a1Delta 31 1 2 17997.9423 Pe(31) : f1Delta v=0 30 e - a1Delta v=1 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 1 1 a1Delta 31 0 2 17997.9423 Pf(31) : f1Delta v=0 30 f - a1Delta v=1 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 0 1 a1Delta 30 1 2 18000.8514 Pf(30) : f1Delta v=0 29 f - a1Delta v=1 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 1 1 a1Delta 30 0 2 18000.8514 Pe(30) : f1Delta v=0 29 e - a1Delta v=1 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 0 1 a1Delta 29 1 2 18003.7272 Pe(29) : f1Delta v=0 28 e - a1Delta v=1 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 1 1 a1Delta 29 0 2 18003.7272 Pf(29) : f1Delta v=0 28 f - a1Delta v=1 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 1 1 a1Delta 28 0 2 18006.5133 Pe(28) : f1Delta v=0 27 e - a1Delta v=1 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 0 1 a1Delta 28 1 2 18006.5133 Pf(28) : f1Delta v=0 27 f - a1Delta v=1 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 0 1 a1Delta 27 1 2 18009.2407 Pe(27) : f1Delta v=0 26 e - a1Delta v=1 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 1 1 a1Delta 27 0 2 18009.2407 Pf(27) : f1Delta v=0 26 f - a1Delta v=1 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 1 1 a1Delta 26 0 2 18011.9125 Pe(26) : f1Delta v=0 25 e - a1Delta v=1 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 0 1 a1Delta 26 1 2 18011.9125 Pf(26) : f1Delta v=0 25 f - a1Delta v=1 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 0 1 a1Delta 25 1 2 18014.5320 Pe(25) : f1Delta v=0 24 e - a1Delta v=1 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 1 1 a1Delta 25 0 2 18014.5320 Pf(25) : f1Delta v=0 24 f - a1Delta v=1 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 23 0 1 a1Delta 24 1 2 18017.0841 Pf(24) : f1Delta v=0 23 f - a1Delta v=1 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 23 1 1 a1Delta 24 0 2 18017.0841 Pe(24) : f1Delta v=0 23 e - a1Delta v=1 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 0 1 a1Delta 23 1 2 18019.5746 Pe(23) : f1Delta v=0 22 e - a1Delta v=1 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 1 1 a1Delta 23 0 2 18019.5746 Pf(23) : f1Delta v=0 22 f - a1Delta v=1 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 1 1 a1Delta 22 0 2 18021.9906 Pe(22) : f1Delta v=0 21 e - a1Delta v=1 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 0 1 a1Delta 22 1 2 18021.9906 Pf(22) : f1Delta v=0 21 f - a1Delta v=1 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 1 1 a1Delta 21 0 2 18024.3493 Pf(21) : f1Delta v=0 20 f - a1Delta v=1 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 0 1 a1Delta 21 1 2 18024.3493 Pe(21) : f1Delta v=0 20 e - a1Delta v=1 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 19 0 1 a1Delta 20 1 2 18026.6577 Pf(20) : f1Delta v=0 19 f - a1Delta v=1 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 19 1 1 a1Delta 20 0 2 18026.6577 Pe(20) : f1Delta v=0 19 e - a1Delta v=1 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 0 1 a1Delta 18 1 2 18031.0775 Pf(18) : f1Delta v=0 17 f - a1Delta v=1 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 1 1 a1Delta 18 0 2 18031.0775 Pe(18) : f1Delta v=0 17 e - a1Delta v=1 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 1 1 a1Delta 18 0 2 18031.1180 Pe(18) : f1Delta v=0 17 e - a1Delta v=1 18 e : 770629001_Apo_Cal.dpt - Overlays LinearMolecule f1Delta 17 0 1 a1Delta 18 1 2 18031.1180 Pf(18) : f1Delta v=0 17 f - a1Delta v=1 18 f : 770629001_Apo_Cal.dpt - Overlays LinearMolecule f1Delta 16 1 1 a1Delta 17 0 2 18033.1953 Pf(17) : f1Delta v=0 16 f - a1Delta v=1 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 0 1 a1Delta 17 1 2 18033.1953 Pe(17) : f1Delta v=0 16 e - a1Delta v=1 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 49 1 1 a1Delta 48 0 2 18035.6347 Re(48) : f1Delta v=0 49 e - a1Delta v=1 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 49 0 1 a1Delta 48 1 2 18035.6347 Rf(48) : f1Delta v=0 49 f - a1Delta v=1 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 14 1 1 a1Delta 15 0 2 18037.2449 Pf(15) : f1Delta v=0 14 f - a1Delta v=1 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 14 0 1 a1Delta 15 1 2 18037.2449 Pe(15) : f1Delta v=0 14 e - a1Delta v=1 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 48 0 1 a1Delta 47 1 2 18037.6400 Re(47) : f1Delta v=0 48 e - a1Delta v=1 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 48 1 1 a1Delta 47 0 2 18037.6400 Rf(47) : f1Delta v=0 48 f - a1Delta v=1 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 1 1 a1Delta 13 0 2 18041.0479 Pf(13) : f1Delta v=0 12 f - a1Delta v=1 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 0 1 a1Delta 13 1 2 18041.0479 Pe(13) : f1Delta v=0 12 e - a1Delta v=1 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 10 1 1 a1Delta 11 0 2 18044.6000 Pf(11) : f1Delta v=0 10 f - a1Delta v=1 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 10 0 1 a1Delta 11 1 2 18044.6000 Pe(11) : f1Delta v=0 10 e - a1Delta v=1 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 1 1 a1Delta 43 0 2 18045.0139 Rf(43) : f1Delta v=0 44 f - a1Delta v=1 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 0 1 a1Delta 43 1 2 18045.0139 Re(43) : f1Delta v=0 44 e - a1Delta v=1 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 0 1 a1Delta 39 1 2 18051.3834 Re(39) : f1Delta v=0 40 e - a1Delta v=1 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 1 1 a1Delta 39 0 2 18051.3834 Rf(39) : f1Delta v=0 40 f - a1Delta v=1 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 39 1 1 a1Delta 38 0 2 18052.8267 Re(38) : f1Delta v=0 39 e - a1Delta v=1 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 39 0 1 a1Delta 38 1 2 18052.8267 Rf(38) : f1Delta v=0 39 f - a1Delta v=1 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 0 1 a1Delta 36 1 2 18055.4812 Rf(36) : f1Delta v=0 37 f - a1Delta v=1 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 1 1 a1Delta 36 0 2 18055.4812 Re(36) : f1Delta v=0 37 e - a1Delta v=1 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 0 1 a1Delta 34 1 2 18057.9061 Rf(34) : f1Delta v=0 35 f - a1Delta v=1 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 1 1 a1Delta 34 0 2 18057.9061 Re(34) : f1Delta v=0 35 e - a1Delta v=1 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 1 1 a1Delta 30 0 2 18061.9888 Re(30) : f1Delta v=0 31 e - a1Delta v=1 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 0 1 a1Delta 30 1 2 18061.9888 Rf(30) : f1Delta v=0 31 f - a1Delta v=1 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 0 1 a1Delta 29 1 2 18062.8555 Re(29) : f1Delta v=0 30 e - a1Delta v=1 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 1 1 a1Delta 29 0 2 18062.8555 Rf(29) : f1Delta v=0 30 f - a1Delta v=1 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 1 1 a1Delta 28 0 2 18063.6594 Re(28) : f1Delta v=0 29 e - a1Delta v=1 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 0 1 a1Delta 28 1 2 18063.6594 Rf(28) : f1Delta v=0 29 f - a1Delta v=1 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 1 1 a1Delta 27 0 2 18064.3856 Rf(27) : f1Delta v=0 28 f - a1Delta v=1 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 0 1 a1Delta 27 1 2 18064.3856 Re(27) : f1Delta v=0 28 e - a1Delta v=1 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 0 1 a1Delta 26 1 2 18065.0705 Rf(26) : f1Delta v=0 27 f - a1Delta v=1 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 1 1 a1Delta 26 0 2 18065.0705 Re(26) : f1Delta v=0 27 e - a1Delta v=1 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 0 1 a1Delta 23 1 2 18066.7127 Re(23) : f1Delta v=0 24 e - a1Delta v=1 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 1 1 a1Delta 23 0 2 18066.7127 Rf(23) : f1Delta v=0 24 f - a1Delta v=1 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 0 4 a1Delta 44 1 3 18493.4504 Qf(44) : c1Phi v=3 44 e - a1Delta v=2 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 44 1 4 a1Delta 44 0 3 18493.4504 Qe(44) : c1Phi v=3 44 f - a1Delta v=2 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 1 4 a1Delta 41 0 3 18498.3381 Qf(41) : c1Phi v=3 41 e - a1Delta v=2 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 41 0 4 a1Delta 41 1 3 18498.3381 Qe(41) : c1Phi v=3 41 f - a1Delta v=2 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 1 4 a1Delta 22 0 3 18498.5385 Pe(22) : c1Phi v=3 21 e - a1Delta v=2 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 21 0 4 a1Delta 22 1 3 18498.5385 Pf(22) : c1Phi v=3 21 f - a1Delta v=2 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 4 a1Delta 39 0 3 18501.3799 Qf(39) : c1Phi v=3 39 e - a1Delta v=2 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 4 a1Delta 39 1 3 18501.3799 Qe(39) : c1Phi v=3 39 f - a1Delta v=2 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 4 a1Delta 38 1 3 18502.8515 Qf(38) : c1Phi v=3 38 e - a1Delta v=2 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 4 a1Delta 38 0 3 18502.8515 Qe(38) : c1Phi v=3 38 f - a1Delta v=2 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 17 1 4 a1Delta 18 0 3 18505.7030 Pe(18) : c1Phi v=3 17 e - a1Delta v=2 18 e : 770629001_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 36 0 4 a1Delta 36 1 3 18505.7030 Qf(36) : c1Phi v=3 36 e - a1Delta v=2 36 f : 770629001_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 36 1 4 a1Delta 36 0 3 18505.7030 Qe(36) : c1Phi v=3 36 f - a1Delta v=2 36 e : 770629001_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 17 0 4 a1Delta 18 1 3 18505.7030 Pf(18) : c1Phi v=3 17 f - a1Delta v=2 18 f : 770629001_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 35 1 4 a1Delta 35 0 3 18507.0502 Qf(35) : c1Phi v=3 35 e - a1Delta v=2 35 f : 770629001_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 35 0 4 a1Delta 35 1 3 18507.0502 Qe(35) : c1Phi v=3 35 f - a1Delta v=2 35 e : 770629001_Apo_Cal.dpt - Overlays LinearMolecule c1Phi 33 1 4 a1Delta 33 0 3 18509.5893 Qf(33) : c1Phi v=3 33 e - a1Delta v=2 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 4 a1Delta 33 1 3 18509.5893 Qe(33) : c1Phi v=3 33 f - a1Delta v=2 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 4 a1Delta 32 0 3 18510.8152 Qe(32) : c1Phi v=3 32 f - a1Delta v=2 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 4 a1Delta 32 1 3 18510.8152 Qf(32) : c1Phi v=3 32 e - a1Delta v=2 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 4 a1Delta 31 0 3 18512.0119 Qf(31) : c1Phi v=3 31 e - a1Delta v=2 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 4 a1Delta 31 1 3 18512.0119 Qe(31) : c1Phi v=3 31 f - a1Delta v=2 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 4 a1Delta 30 0 3 18513.1684 Qe(30) : c1Phi v=3 30 f - a1Delta v=2 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 4 a1Delta 30 1 3 18513.1684 Qf(30) : c1Phi v=3 30 e - a1Delta v=2 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 4 a1Delta 29 1 3 18514.2882 Qe(29) : c1Phi v=3 29 f - a1Delta v=2 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 4 a1Delta 29 0 3 18514.2882 Qf(29) : c1Phi v=3 29 e - a1Delta v=2 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 4 a1Delta 28 0 3 18515.3631 Qe(28) : c1Phi v=3 28 f - a1Delta v=2 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 4 a1Delta 28 1 3 18515.3631 Qf(28) : c1Phi v=3 28 e - a1Delta v=2 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 4 a1Delta 27 0 3 18516.3937 Qf(27) : c1Phi v=3 27 e - a1Delta v=2 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 4 a1Delta 27 1 3 18516.3937 Qe(27) : c1Phi v=3 27 f - a1Delta v=2 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 1 4 a1Delta 26 0 3 18517.3994 Qe(26) : c1Phi v=3 26 f - a1Delta v=2 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 26 0 4 a1Delta 26 1 3 18517.3994 Qf(26) : c1Phi v=3 26 e - a1Delta v=2 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 4 a1Delta 25 1 3 18518.3781 Qe(25) : c1Phi v=3 25 f - a1Delta v=2 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 4 a1Delta 25 0 3 18518.3781 Qf(25) : c1Phi v=3 25 e - a1Delta v=2 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 0 4 a1Delta 24 1 3 18519.2925 Qf(24) : c1Phi v=3 24 e - a1Delta v=2 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 24 1 4 a1Delta 24 0 3 18519.2925 Qe(24) : c1Phi v=3 24 f - a1Delta v=2 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 4 a1Delta 23 1 3 18520.1872 Qe(23) : c1Phi v=3 23 f - a1Delta v=2 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 4 a1Delta 23 0 3 18520.1872 Qf(23) : c1Phi v=3 23 e - a1Delta v=2 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 4 a1Delta 22 0 3 18521.0347 Qe(22) : c1Phi v=3 22 f - a1Delta v=2 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 4 a1Delta 22 1 3 18521.0347 Qf(22) : c1Phi v=3 22 e - a1Delta v=2 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 3 a1Delta 39 1 2 18612.2642 Qe(39) : c1Phi v=2 39 f - a1Delta v=1 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 3 a1Delta 20 1 2 18612.2642 Pf(20) : c1Phi v=2 19 f - a1Delta v=1 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 3 a1Delta 20 0 2 18612.2642 Pe(20) : c1Phi v=2 19 e - a1Delta v=1 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 3 a1Delta 39 0 2 18612.2642 Qf(39) : c1Phi v=2 39 e - a1Delta v=1 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 3 a1Delta 37 0 2 18615.0587 Qf(37) : c1Phi v=2 37 e - a1Delta v=1 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 3 a1Delta 37 1 2 18615.0587 Qe(37) : c1Phi v=2 37 f - a1Delta v=1 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 3 a1Delta 32 1 2 18621.3986 Qf(32) : c1Phi v=2 32 e - a1Delta v=1 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 3 a1Delta 32 0 2 18621.3986 Qe(32) : c1Phi v=2 32 f - a1Delta v=1 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 0 3 a1Delta 31 1 2 18622.5551 Qe(31) : c1Phi v=2 31 f - a1Delta v=1 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 31 1 3 a1Delta 31 0 2 18622.5551 Qf(31) : c1Phi v=2 31 e - a1Delta v=1 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 1 3 a1Delta 29 0 2 18624.7644 Qf(29) : c1Phi v=2 29 e - a1Delta v=1 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 29 0 3 a1Delta 29 1 2 18624.7644 Qe(29) : c1Phi v=2 29 f - a1Delta v=1 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 3 a1Delta 28 1 2 18625.7946 Qf(28) : c1Phi v=2 28 e - a1Delta v=1 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 3 a1Delta 28 0 2 18625.7946 Qe(28) : c1Phi v=2 28 f - a1Delta v=1 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 3 a1Delta 27 0 2 18626.8270 Qf(27) : c1Phi v=2 27 e - a1Delta v=1 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 3 a1Delta 27 1 2 18626.8270 Qe(27) : c1Phi v=2 27 f - a1Delta v=1 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 0 3 a1Delta 20 1 2 18632.8678 Qf(20) : c1Phi v=2 20 e - a1Delta v=1 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 20 1 3 a1Delta 20 0 2 18632.8678 Qe(20) : c1Phi v=2 20 f - a1Delta v=1 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 0 3 a1Delta 19 1 2 18633.5970 Qe(19) : c1Phi v=2 19 f - a1Delta v=1 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 19 1 3 a1Delta 19 0 2 18633.5970 Qf(19) : c1Phi v=2 19 e - a1Delta v=1 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 1 2 a1Delta 40 0 1 18721.0971 Qe(40) : c1Phi v=1 40 f - a1Delta v=0 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 40 0 2 a1Delta 40 1 1 18721.0971 Qf(40) : c1Phi v=1 40 e - a1Delta v=0 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 1 2 a1Delta 39 0 1 18722.5142 Qf(39) : c1Phi v=1 39 e - a1Delta v=0 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 39 0 2 a1Delta 39 1 1 18722.5142 Qe(39) : c1Phi v=1 39 f - a1Delta v=0 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 0 2 a1Delta 38 1 1 18723.8927 Qf(38) : c1Phi v=1 38 e - a1Delta v=0 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 38 1 2 a1Delta 38 0 1 18723.8927 Qe(38) : c1Phi v=1 38 f - a1Delta v=0 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 0 2 a1Delta 37 1 1 18725.2362 Qe(37) : c1Phi v=1 37 f - a1Delta v=0 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 37 1 2 a1Delta 37 0 1 18725.2362 Qf(37) : c1Phi v=1 37 e - a1Delta v=0 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 1 2 a1Delta 35 0 1 18727.8140 Qf(35) : c1Phi v=1 35 e - a1Delta v=0 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 35 0 2 a1Delta 35 1 1 18727.8140 Qe(35) : c1Phi v=1 35 f - a1Delta v=0 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 0 2 a1Delta 34 1 1 18729.0632 Qf(34) : c1Phi v=1 34 e - a1Delta v=0 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 34 1 2 a1Delta 34 0 1 18729.0632 Qe(34) : c1Phi v=1 34 f - a1Delta v=0 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 0 2 a1Delta 33 1 1 18730.2623 Qe(33) : c1Phi v=1 33 f - a1Delta v=0 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 33 1 2 a1Delta 33 0 1 18730.2623 Qf(33) : c1Phi v=1 33 e - a1Delta v=0 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 1 2 a1Delta 32 0 1 18731.4262 Qe(32) : c1Phi v=1 32 f - a1Delta v=0 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 32 0 2 a1Delta 32 1 1 18731.4262 Qf(32) : c1Phi v=1 32 e - a1Delta v=0 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 1 2 a1Delta 30 0 1 18733.6518 Qe(30) : c1Phi v=1 30 f - a1Delta v=0 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 30 0 2 a1Delta 30 1 1 18733.6518 Qf(30) : c1Phi v=1 30 e - a1Delta v=0 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 0 2 a1Delta 28 1 1 18735.7435 Qf(28) : c1Phi v=1 28 e - a1Delta v=0 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 28 1 2 a1Delta 28 0 1 18735.7435 Qe(28) : c1Phi v=1 28 f - a1Delta v=0 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 1 2 a1Delta 27 0 1 18736.7310 Qf(27) : c1Phi v=1 27 e - a1Delta v=0 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 27 0 2 a1Delta 27 1 1 18736.7310 Qe(27) : c1Phi v=1 27 f - a1Delta v=0 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 1 2 a1Delta 25 0 1 18738.6142 Qf(25) : c1Phi v=1 25 e - a1Delta v=0 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 25 0 2 a1Delta 25 1 1 18738.6142 Qe(25) : c1Phi v=1 25 f - a1Delta v=0 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 0 2 a1Delta 23 1 1 18740.3352 Qe(23) : c1Phi v=1 23 f - a1Delta v=0 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 23 1 2 a1Delta 23 0 1 18740.3352 Qf(23) : c1Phi v=1 23 e - a1Delta v=0 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 1 2 a1Delta 22 0 1 18741.1555 Qe(22) : c1Phi v=1 22 f - a1Delta v=0 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 22 0 2 a1Delta 22 1 1 18741.1555 Qf(22) : c1Phi v=1 22 e - a1Delta v=0 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 0 2 a1Delta 15 1 1 18745.8624 Qe(15) : c1Phi v=1 15 f - a1Delta v=0 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule c1Phi 15 1 2 a1Delta 15 0 1 18745.8624 Qf(15) : c1Phi v=1 15 e - a1Delta v=0 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 72 0 1 a1Delta 73 1 1 18812.0183 Pe(73) : f1Delta v=0 72 e - a1Delta v=0 73 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 72 1 1 a1Delta 73 0 1 18812.0183 Pf(73) : f1Delta v=0 72 f - a1Delta v=0 73 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 36 1 2 a1Delta 37 0 2 18844.1548 Pf(37) : f1Delta v=1 36 f - a1Delta v=1 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 36 0 2 a1Delta 37 1 2 18844.1548 Pe(37) : f1Delta v=1 36 e - a1Delta v=1 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 66 1 1 a1Delta 67 0 1 18846.9053 Pf(67) : f1Delta v=0 66 f - a1Delta v=0 67 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 66 0 1 a1Delta 67 1 1 18846.9053 Pe(67) : f1Delta v=0 66 e - a1Delta v=0 67 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 1 2 a1Delta 36 0 2 18847.6756 Pe(36) : f1Delta v=1 35 e - a1Delta v=1 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 0 2 a1Delta 36 1 2 18847.6756 Pf(36) : f1Delta v=1 35 f - a1Delta v=1 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 34 0 2 a1Delta 35 1 2 18851.1229 Pe(35) : f1Delta v=1 34 e - a1Delta v=1 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 34 1 2 a1Delta 35 0 2 18851.1229 Pf(35) : f1Delta v=1 34 f - a1Delta v=1 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 65 1 1 a1Delta 66 0 1 18852.4788 Pe(66) : f1Delta v=0 65 e - a1Delta v=0 66 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 65 0 1 a1Delta 66 1 1 18852.4788 Pf(66) : f1Delta v=0 65 f - a1Delta v=0 66 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 0 2 a1Delta 34 1 2 18854.4931 Pf(34) : f1Delta v=1 33 f - a1Delta v=1 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 1 2 a1Delta 34 0 2 18854.4931 Pe(34) : f1Delta v=1 33 e - a1Delta v=1 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 64 1 1 a1Delta 65 0 1 18857.9723 Pf(65) : f1Delta v=0 64 f - a1Delta v=0 65 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 64 0 1 a1Delta 65 1 1 18857.9723 Pe(65) : f1Delta v=0 64 e - a1Delta v=0 65 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 0 2 a1Delta 32 1 2 18861.0248 Pf(32) : f1Delta v=1 31 f - a1Delta v=1 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 1 2 a1Delta 32 0 2 18861.0248 Pe(32) : f1Delta v=1 31 e - a1Delta v=1 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 61 0 1 a1Delta 62 1 1 18874.0751 Pf(62) : f1Delta v=0 61 f - a1Delta v=0 62 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 61 1 1 a1Delta 62 0 1 18874.0751 Pe(62) : f1Delta v=0 61 e - a1Delta v=0 62 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 60 0 1 a1Delta 61 1 1 18879.2962 Pe(61) : f1Delta v=0 60 e - a1Delta v=0 61 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 60 1 1 a1Delta 61 0 1 18879.2962 Pf(61) : f1Delta v=0 60 f - a1Delta v=0 61 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 1 2 a1Delta 25 0 2 18881.8352 Pf(25) : f1Delta v=1 24 f - a1Delta v=1 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 0 2 a1Delta 25 1 2 18881.8352 Pe(25) : f1Delta v=1 24 e - a1Delta v=1 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 59 0 1 a1Delta 60 1 1 18884.4608 Pf(60) : f1Delta v=0 59 f - a1Delta v=0 60 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 59 1 1 a1Delta 60 0 1 18884.4608 Pe(60) : f1Delta v=0 59 e - a1Delta v=0 60 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 58 0 1 a1Delta 59 1 1 18889.5516 Pe(59) : f1Delta v=0 58 e - a1Delta v=0 59 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 58 1 1 a1Delta 59 0 1 18889.5516 Pf(59) : f1Delta v=0 58 f - a1Delta v=0 59 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 57 1 1 a1Delta 58 0 1 18894.5731 Pe(58) : f1Delta v=0 57 e - a1Delta v=0 58 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 57 0 1 a1Delta 58 1 1 18894.5731 Pf(58) : f1Delta v=0 57 f - a1Delta v=0 58 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 56 0 1 a1Delta 57 1 1 18899.5235 Pe(57) : f1Delta v=0 56 e - a1Delta v=0 57 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 56 1 1 a1Delta 57 0 1 18899.5235 Pf(57) : f1Delta v=0 56 f - a1Delta v=0 57 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 55 0 1 a1Delta 56 1 1 18904.4060 Pf(56) : f1Delta v=0 55 f - a1Delta v=0 56 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 55 1 1 a1Delta 56 0 1 18904.4060 Pe(56) : f1Delta v=0 55 e - a1Delta v=0 56 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 54 0 1 a1Delta 55 1 1 18909.2336 Pe(55) : f1Delta v=0 54 e - a1Delta v=0 55 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 54 1 1 a1Delta 55 0 1 18909.2336 Pf(55) : f1Delta v=0 54 f - a1Delta v=0 55 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 53 0 1 a1Delta 54 1 1 18913.9365 Pf(54) : f1Delta v=0 53 f - a1Delta v=0 54 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 53 1 1 a1Delta 54 0 1 18913.9365 Pe(54) : f1Delta v=0 53 e - a1Delta v=0 54 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 49 1 1 a1Delta 50 0 1 18932.2493 Pe(50) : f1Delta v=0 49 e - a1Delta v=0 50 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 49 0 1 a1Delta 50 1 1 18932.2493 Pf(50) : f1Delta v=0 49 f - a1Delta v=0 50 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 15 0 2 a1Delta 14 1 2 18936.6520 Rf(14) : f1Delta v=1 15 f - a1Delta v=1 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 1 2 a1Delta 15 0 2 18936.6520 Rf(15) : f1Delta v=1 16 f - a1Delta v=1 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 48 1 1 a1Delta 49 0 1 18936.6520 Pf(49) : f1Delta v=0 48 f - a1Delta v=0 49 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 14 1 2 a1Delta 13 0 2 18936.6520 Rf(13) : f1Delta v=1 14 f - a1Delta v=1 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 0 2 a1Delta 15 1 2 18936.6520 Re(15) : f1Delta v=1 16 e - a1Delta v=1 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 15 1 2 a1Delta 14 0 2 18936.6520 Re(14) : f1Delta v=1 15 e - a1Delta v=1 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 48 0 1 a1Delta 49 1 1 18936.6520 Pe(49) : f1Delta v=0 48 e - a1Delta v=0 49 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 14 0 2 a1Delta 13 1 2 18936.6520 Re(13) : f1Delta v=1 14 e - a1Delta v=1 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 47 0 1 a1Delta 48 1 1 18940.9896 Pf(48) : f1Delta v=0 47 f - a1Delta v=0 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 47 1 1 a1Delta 48 0 1 18940.9896 Pe(48) : f1Delta v=0 47 e - a1Delta v=0 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 46 1 1 a1Delta 47 0 1 18945.2490 Pf(47) : f1Delta v=0 46 f - a1Delta v=0 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 46 0 1 a1Delta 47 1 1 18945.2490 Pe(47) : f1Delta v=0 46 e - a1Delta v=0 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 45 1 1 a1Delta 46 0 1 18949.4421 Pe(46) : f1Delta v=0 45 e - a1Delta v=0 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 45 0 1 a1Delta 46 1 1 18949.4421 Pf(46) : f1Delta v=0 45 f - a1Delta v=0 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 1 1 a1Delta 45 0 1 18953.5716 Pf(45) : f1Delta v=0 44 f - a1Delta v=0 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 0 1 a1Delta 45 1 1 18953.5716 Pe(45) : f1Delta v=0 44 e - a1Delta v=0 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 43 0 1 a1Delta 44 1 1 18957.6331 Pf(44) : f1Delta v=0 43 f - a1Delta v=0 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 43 1 1 a1Delta 44 0 1 18957.6331 Pe(44) : f1Delta v=0 43 e - a1Delta v=0 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 42 1 1 a1Delta 43 0 1 18961.6228 Pf(43) : f1Delta v=0 42 f - a1Delta v=0 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 42 0 1 a1Delta 43 1 1 18961.6228 Pe(43) : f1Delta v=0 42 e - a1Delta v=0 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 41 0 1 a1Delta 42 1 1 18965.5470 Pf(42) : f1Delta v=0 41 f - a1Delta v=0 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 41 1 1 a1Delta 42 0 1 18965.5470 Pe(42) : f1Delta v=0 41 e - a1Delta v=0 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 0 1 a1Delta 41 1 1 18969.4036 Pe(41) : f1Delta v=0 40 e - a1Delta v=0 41 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 1 1 a1Delta 41 0 1 18969.4036 Pf(41) : f1Delta v=0 40 f - a1Delta v=0 41 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 39 1 1 a1Delta 40 0 1 18973.1886 Pe(40) : f1Delta v=0 39 e - a1Delta v=0 40 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 39 0 1 a1Delta 40 1 1 18973.1886 Pf(40) : f1Delta v=0 39 f - a1Delta v=0 40 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 38 0 1 a1Delta 39 1 1 18976.9068 Pe(39) : f1Delta v=0 38 e - a1Delta v=0 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 38 1 1 a1Delta 39 0 1 18976.9068 Pf(39) : f1Delta v=0 38 f - a1Delta v=0 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 0 1 a1Delta 38 1 1 18980.5559 Pf(38) : f1Delta v=0 37 f - a1Delta v=0 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 1 1 a1Delta 38 0 1 18980.5559 Pe(38) : f1Delta v=0 37 e - a1Delta v=0 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 1 1 a1Delta 36 0 1 18987.6530 Pe(36) : f1Delta v=0 35 e - a1Delta v=0 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 0 1 a1Delta 36 1 1 18987.6530 Pf(36) : f1Delta v=0 35 f - a1Delta v=0 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 34 1 1 a1Delta 35 0 1 18991.0960 Pf(35) : f1Delta v=0 34 f - a1Delta v=0 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 34 0 1 a1Delta 35 1 1 18991.0960 Pe(35) : f1Delta v=0 34 e - a1Delta v=0 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 0 1 a1Delta 34 1 1 18994.4775 Pf(34) : f1Delta v=0 33 f - a1Delta v=0 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 1 1 a1Delta 34 0 1 18994.4775 Pe(34) : f1Delta v=0 33 e - a1Delta v=0 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 1 1 a1Delta 33 0 1 18997.7886 Pf(33) : f1Delta v=0 32 f - a1Delta v=0 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 0 1 a1Delta 33 1 1 18997.7886 Pe(33) : f1Delta v=0 32 e - a1Delta v=0 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 1 1 a1Delta 32 0 1 19001.0281 Pe(32) : f1Delta v=0 31 e - a1Delta v=0 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 0 1 a1Delta 32 1 1 19001.0281 Pf(32) : f1Delta v=0 31 f - a1Delta v=0 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 0 1 a1Delta 31 1 1 19004.2065 Pe(31) : f1Delta v=0 30 e - a1Delta v=0 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 1 1 a1Delta 31 0 1 19004.2065 Pf(31) : f1Delta v=0 30 f - a1Delta v=0 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 0 1 a1Delta 30 1 1 19007.3096 Pf(30) : f1Delta v=0 29 f - a1Delta v=0 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 1 1 a1Delta 30 0 1 19007.3096 Pe(30) : f1Delta v=0 29 e - a1Delta v=0 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 60 1 1 a1Delta 59 0 1 19008.0038 Rf(59) : f1Delta v=0 60 f - a1Delta v=0 59 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 60 0 1 a1Delta 59 1 1 19008.0038 Re(59) : f1Delta v=0 60 e - a1Delta v=0 59 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 1 1 a1Delta 29 0 1 19010.3456 Pf(29) : f1Delta v=0 28 f - a1Delta v=0 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 0 1 a1Delta 29 1 1 19010.3456 Pe(29) : f1Delta v=0 28 e - a1Delta v=0 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 1 1 a1Delta 28 0 1 19013.3168 Pe(28) : f1Delta v=0 27 e - a1Delta v=0 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 0 1 a1Delta 28 1 1 19013.3168 Pf(28) : f1Delta v=0 27 f - a1Delta v=0 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 58 1 1 a1Delta 57 0 1 19014.0712 Rf(57) : f1Delta v=0 58 f - a1Delta v=0 57 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 58 0 1 a1Delta 57 1 1 19014.0712 Re(57) : f1Delta v=0 58 e - a1Delta v=0 57 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 1 1 a1Delta 27 0 1 19016.2205 Pf(27) : f1Delta v=0 26 f - a1Delta v=0 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 0 1 a1Delta 27 1 1 19016.2205 Pe(27) : f1Delta v=0 26 e - a1Delta v=0 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 57 0 1 a1Delta 56 1 1 19016.9873 Rf(56) : f1Delta v=0 57 f - a1Delta v=0 56 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 57 1 1 a1Delta 56 0 1 19016.9873 Re(56) : f1Delta v=0 57 e - a1Delta v=0 56 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 1 1 a1Delta 26 0 1 19019.0539 Pe(26) : f1Delta v=0 25 e - a1Delta v=0 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 0 1 a1Delta 26 1 1 19019.0539 Pf(26) : f1Delta v=0 25 f - a1Delta v=0 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 56 1 1 a1Delta 55 0 1 19019.8468 Rf(55) : f1Delta v=0 56 f - a1Delta v=0 55 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 56 0 1 a1Delta 55 1 1 19019.8468 Re(55) : f1Delta v=0 56 e - a1Delta v=0 55 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 55 0 1 a1Delta 54 1 1 19022.6293 Rf(54) : f1Delta v=0 55 f - a1Delta v=0 54 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 55 1 1 a1Delta 54 0 1 19022.6293 Re(54) : f1Delta v=0 55 e - a1Delta v=0 54 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 23 1 1 a1Delta 24 0 1 19024.5175 Pe(24) : f1Delta v=0 23 e - a1Delta v=0 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 23 0 1 a1Delta 24 1 1 19024.5175 Pf(24) : f1Delta v=0 23 f - a1Delta v=0 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 54 1 1 a1Delta 53 0 1 19025.3575 Rf(53) : f1Delta v=0 54 f - a1Delta v=0 53 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 54 0 1 a1Delta 53 1 1 19025.3575 Re(53) : f1Delta v=0 54 e - a1Delta v=0 53 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 1 1 a1Delta 23 0 1 19027.1514 Pf(23) : f1Delta v=0 22 f - a1Delta v=0 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 0 1 a1Delta 23 1 1 19027.1514 Pe(23) : f1Delta v=0 22 e - a1Delta v=0 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 1 1 a1Delta 22 0 1 19029.7140 Pe(22) : f1Delta v=0 21 e - a1Delta v=0 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 0 1 a1Delta 22 1 1 19029.7140 Pf(22) : f1Delta v=0 21 f - a1Delta v=0 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 1 1 a1Delta 21 0 1 19032.2105 Pf(21) : f1Delta v=0 20 f - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 0 1 a1Delta 21 1 1 19032.2105 Pe(21) : f1Delta v=0 20 e - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 51 0 1 a1Delta 50 1 1 19033.0439 Rf(50) : f1Delta v=0 51 f - a1Delta v=0 50 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 51 1 1 a1Delta 50 0 1 19033.0439 Re(50) : f1Delta v=0 51 e - a1Delta v=0 50 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 49 0 1 a1Delta 48 1 1 19037.8370 Rf(48) : f1Delta v=0 49 f - a1Delta v=0 48 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 49 1 1 a1Delta 48 0 1 19037.8370 Re(48) : f1Delta v=0 49 e - a1Delta v=0 48 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 1 1 a1Delta 18 0 1 19039.2858 Pe(18) : f1Delta v=0 17 e - a1Delta v=0 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 0 1 a1Delta 18 1 1 19039.2858 Pf(18) : f1Delta v=0 17 f - a1Delta v=0 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 48 1 1 a1Delta 47 0 1 19040.1298 Rf(47) : f1Delta v=0 48 f - a1Delta v=0 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 48 0 1 a1Delta 47 1 1 19040.1298 Re(47) : f1Delta v=0 48 e - a1Delta v=0 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 1 1 a1Delta 17 0 1 19041.5113 Pf(17) : f1Delta v=0 16 f - a1Delta v=0 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 0 1 a1Delta 17 1 1 19041.5113 Pe(17) : f1Delta v=0 16 e - a1Delta v=0 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 47 1 1 a1Delta 46 0 1 19042.3513 Re(46) : f1Delta v=0 47 e - a1Delta v=0 46 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 47 0 1 a1Delta 46 1 1 19042.3513 Rf(46) : f1Delta v=0 47 f - a1Delta v=0 46 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 15 0 1 a1Delta 16 1 1 19043.6717 Pf(16) : f1Delta v=0 15 f - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 15 1 1 a1Delta 16 0 1 19043.6717 Pe(16) : f1Delta v=0 15 e - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 46 0 1 a1Delta 45 1 1 19044.5060 Re(45) : f1Delta v=0 46 e - a1Delta v=0 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 46 1 1 a1Delta 45 0 1 19044.5060 Rf(45) : f1Delta v=0 46 f - a1Delta v=0 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 14 1 1 a1Delta 15 0 1 19045.7614 Pf(15) : f1Delta v=0 14 f - a1Delta v=0 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 14 0 1 a1Delta 15 1 1 19045.7614 Pe(15) : f1Delta v=0 14 e - a1Delta v=0 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 45 0 1 a1Delta 44 1 1 19046.5850 Rf(44) : f1Delta v=0 45 f - a1Delta v=0 44 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 45 1 1 a1Delta 44 0 1 19046.5850 Re(44) : f1Delta v=0 45 e - a1Delta v=0 44 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 13 1 1 a1Delta 14 0 1 19047.7837 Pe(14) : f1Delta v=0 13 e - a1Delta v=0 14 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 13 0 1 a1Delta 14 1 1 19047.7837 Pf(14) : f1Delta v=0 13 f - a1Delta v=0 14 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 0 1 a1Delta 43 1 1 19048.5903 Re(43) : f1Delta v=0 44 e - a1Delta v=0 43 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 1 1 a1Delta 43 0 1 19048.5903 Rf(43) : f1Delta v=0 44 f - a1Delta v=0 43 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 0 1 a1Delta 13 1 1 19049.7380 Pe(13) : f1Delta v=0 12 e - a1Delta v=0 13 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 1 1 a1Delta 13 0 1 19049.7380 Pf(13) : f1Delta v=0 12 f - a1Delta v=0 13 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 43 1 1 a1Delta 42 0 1 19050.5378 Re(42) : f1Delta v=0 43 e - a1Delta v=0 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 43 0 1 a1Delta 42 1 1 19050.5378 Rf(42) : f1Delta v=0 43 f - a1Delta v=0 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 0 1 a1Delta 39 1 1 19055.9494 Re(39) : f1Delta v=0 40 e - a1Delta v=0 39 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 40 1 1 a1Delta 39 0 1 19055.9494 Rf(39) : f1Delta v=0 40 f - a1Delta v=0 39 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 8 0 1 a1Delta 9 1 1 19056.8689 Pe(9) : f1Delta v=0 8 e - a1Delta v=0 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 8 1 1 a1Delta 9 0 1 19056.8689 Pf(9) : f1Delta v=0 8 f - a1Delta v=0 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 39 0 1 a1Delta 38 1 1 19057.6176 Rf(38) : f1Delta v=0 39 f - a1Delta v=0 38 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 39 1 1 a1Delta 38 0 1 19057.6176 Re(38) : f1Delta v=0 39 e - a1Delta v=0 38 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 7 1 1 a1Delta 8 0 1 19058.4988 Pe(8) : f1Delta v=0 7 e - a1Delta v=0 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 7 0 1 a1Delta 8 1 1 19058.4988 Pf(8) : f1Delta v=0 7 f - a1Delta v=0 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 38 0 1 a1Delta 37 1 1 19059.2114 Re(37) : f1Delta v=0 38 e - a1Delta v=0 37 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 38 1 1 a1Delta 37 0 1 19059.2114 Rf(37) : f1Delta v=0 38 f - a1Delta v=0 37 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 1 1 a1Delta 36 0 1 19060.7423 Re(36) : f1Delta v=0 37 e - a1Delta v=0 36 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 37 0 1 a1Delta 36 1 1 19060.7423 Rf(36) : f1Delta v=0 37 f - a1Delta v=0 36 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 36 0 1 a1Delta 35 1 1 19062.1974 Re(35) : f1Delta v=0 36 e - a1Delta v=0 35 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 36 1 1 a1Delta 35 0 1 19062.1974 Rf(35) : f1Delta v=0 36 f - a1Delta v=0 35 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 1 1 a1Delta 34 0 1 19063.5820 Re(34) : f1Delta v=0 35 e - a1Delta v=0 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 35 0 1 a1Delta 34 1 1 19063.5820 Rf(34) : f1Delta v=0 35 f - a1Delta v=0 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 0 1 a1Delta 32 1 1 19066.1499 Rf(32) : f1Delta v=0 33 f - a1Delta v=0 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 1 1 a1Delta 32 0 1 19066.1499 Re(32) : f1Delta v=0 33 e - a1Delta v=0 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 0 1 a1Delta 31 1 1 19067.3346 Re(31) : f1Delta v=0 32 e - a1Delta v=0 31 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 1 1 a1Delta 31 0 1 19067.3346 Rf(31) : f1Delta v=0 32 f - a1Delta v=0 31 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 1 1 a1Delta 30 0 1 19068.4441 Re(30) : f1Delta v=0 31 e - a1Delta v=0 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 0 1 a1Delta 30 1 1 19068.4441 Rf(30) : f1Delta v=0 31 f - a1Delta v=0 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 2 0 1 a1Delta 2 1 1 19068.7600 Qf(2) : f1Delta v=0 2 e - a1Delta v=0 2 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 2 1 1 a1Delta 2 0 1 19068.7600 Qe(2) : f1Delta v=0 2 f - a1Delta v=0 2 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 1 1 a1Delta 29 0 1 19069.4867 Rf(29) : f1Delta v=0 30 f - a1Delta v=0 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 30 0 1 a1Delta 29 1 1 19069.4867 Re(29) : f1Delta v=0 30 e - a1Delta v=0 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 1 1 a1Delta 28 0 1 19070.4605 Re(28) : f1Delta v=0 29 e - a1Delta v=0 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 0 1 a1Delta 28 1 1 19070.4605 Rf(28) : f1Delta v=0 29 f - a1Delta v=0 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 0 1 a1Delta 27 1 1 19071.3678 Re(27) : f1Delta v=0 28 e - a1Delta v=0 27 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 1 1 a1Delta 27 0 1 19071.3678 Rf(27) : f1Delta v=0 28 f - a1Delta v=0 27 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 1 1 a1Delta 26 0 1 19072.2020 Re(26) : f1Delta v=0 27 e - a1Delta v=0 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 0 1 a1Delta 26 1 1 19072.2020 Rf(26) : f1Delta v=0 27 f - a1Delta v=0 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 0 1 a1Delta 25 1 1 19072.9694 Re(25) : f1Delta v=0 26 e - a1Delta v=0 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 26 1 1 a1Delta 25 0 1 19072.9694 Rf(25) : f1Delta v=0 26 f - a1Delta v=0 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 5 1 1 a1Delta 4 0 1 19073.3086 Re(4) : f1Delta v=0 5 e - a1Delta v=0 4 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 5 0 1 a1Delta 4 1 1 19073.3086 Rf(4) : f1Delta v=0 5 f - a1Delta v=0 4 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 1 1 a1Delta 24 0 1 19073.6687 Re(24) : f1Delta v=0 25 e - a1Delta v=0 24 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 0 1 a1Delta 24 1 1 19073.6687 Rf(24) : f1Delta v=0 25 f - a1Delta v=0 24 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 6 1 1 a1Delta 5 0 1 19073.9750 Rf(5) : f1Delta v=0 6 f - a1Delta v=0 5 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 6 0 1 a1Delta 5 1 1 19073.9750 Re(5) : f1Delta v=0 6 e - a1Delta v=0 5 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 1 1 a1Delta 23 0 1 19074.2874 Rf(23) : f1Delta v=0 24 f - a1Delta v=0 23 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 0 1 a1Delta 23 1 1 19074.2874 Re(23) : f1Delta v=0 24 e - a1Delta v=0 23 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 7 0 1 a1Delta 6 1 1 19074.5706 Rf(6) : f1Delta v=0 7 f - a1Delta v=0 6 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 7 1 1 a1Delta 6 0 1 19074.5706 Re(6) : f1Delta v=0 7 e - a1Delta v=0 6 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 23 1 1 a1Delta 22 0 1 19074.8636 Re(22) : f1Delta v=0 23 e - a1Delta v=0 22 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 23 0 1 a1Delta 22 1 1 19074.8636 Rf(22) : f1Delta v=0 23 f - a1Delta v=0 22 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 8 0 1 a1Delta 7 1 1 19075.0932 Re(7) : f1Delta v=0 8 e - a1Delta v=0 7 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 8 1 1 a1Delta 7 0 1 19075.0932 Rf(7) : f1Delta v=0 8 f - a1Delta v=0 7 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 0 1 a1Delta 21 1 1 19075.3652 Re(21) : f1Delta v=0 22 e - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 1 1 a1Delta 21 0 1 19075.3652 Rf(21) : f1Delta v=0 22 f - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 9 0 1 a1Delta 8 1 1 19075.5615 Rf(8) : f1Delta v=0 9 f - a1Delta v=0 8 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 9 1 1 a1Delta 8 0 1 19075.5615 Re(8) : f1Delta v=0 9 e - a1Delta v=0 8 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 1 1 a1Delta 20 0 1 19075.7844 Re(20) : f1Delta v=0 21 e - a1Delta v=0 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 0 1 a1Delta 20 1 1 19075.7844 Rf(20) : f1Delta v=0 21 f - a1Delta v=0 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 10 1 1 a1Delta 9 0 1 19075.9571 Rf(9) : f1Delta v=0 10 f - a1Delta v=0 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 10 0 1 a1Delta 9 1 1 19075.9571 Re(9) : f1Delta v=0 10 e - a1Delta v=0 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 0 1 a1Delta 19 1 1 19076.1355 Re(19) : f1Delta v=0 20 e - a1Delta v=0 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 1 1 a1Delta 19 0 1 19076.1355 Rf(19) : f1Delta v=0 20 f - a1Delta v=0 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 11 0 1 a1Delta 10 1 1 19076.2756 Rf(10) : f1Delta v=0 11 f - a1Delta v=0 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 11 1 1 a1Delta 10 0 1 19076.2756 Re(10) : f1Delta v=0 11 e - a1Delta v=0 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 19 0 1 a1Delta 18 1 1 19076.4241 Rf(18) : f1Delta v=0 19 f - a1Delta v=0 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 19 1 1 a1Delta 18 0 1 19076.4241 Re(18) : f1Delta v=0 19 e - a1Delta v=0 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 1 1 a1Delta 11 0 1 19076.5392 Rf(11) : f1Delta v=0 12 f - a1Delta v=0 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 0 1 a1Delta 11 1 1 19076.5392 Re(11) : f1Delta v=0 12 e - a1Delta v=0 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 46 1 2 a1Delta 47 0 1 19807.7440 Pf(47) : f1Delta v=1 46 f - a1Delta v=0 47 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 46 0 2 a1Delta 47 1 1 19807.7440 Pe(47) : f1Delta v=1 46 e - a1Delta v=0 47 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 1 2 a1Delta 45 0 1 19816.6377 Pf(45) : f1Delta v=1 44 f - a1Delta v=0 45 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 44 0 2 a1Delta 45 1 1 19816.6377 Pe(45) : f1Delta v=1 44 e - a1Delta v=0 45 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 41 1 2 a1Delta 42 0 1 19829.4053 Pe(42) : f1Delta v=1 41 e - a1Delta v=0 42 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 41 0 2 a1Delta 42 1 1 19829.4053 Pf(42) : f1Delta v=1 41 f - a1Delta v=0 42 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 1 2 a1Delta 34 0 1 19860.1621 Pe(34) : f1Delta v=1 33 e - a1Delta v=0 34 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 33 0 2 a1Delta 34 1 1 19860.1622 Pf(34) : f1Delta v=1 33 f - a1Delta v=0 34 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 0 2 a1Delta 33 1 1 19863.6825 Pe(33) : f1Delta v=1 32 e - a1Delta v=0 33 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 32 1 2 a1Delta 33 0 1 19863.6828 Pf(33) : f1Delta v=1 32 f - a1Delta v=0 33 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 0 2 a1Delta 32 1 1 19867.1127 Pf(32) : f1Delta v=1 31 f - a1Delta v=0 32 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 31 1 2 a1Delta 32 0 1 19867.1127 Pe(32) : f1Delta v=1 31 e - a1Delta v=0 32 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 0 2 a1Delta 30 1 1 19873.7738 Pf(30) : f1Delta v=1 29 f - a1Delta v=0 30 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 29 1 2 a1Delta 30 0 1 19873.7739 Pe(30) : f1Delta v=1 29 e - a1Delta v=0 30 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 1 2 a1Delta 29 0 1 19876.9915 Pf(29) : f1Delta v=1 28 f - a1Delta v=0 29 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 28 0 2 a1Delta 29 1 1 19876.9915 Pe(29) : f1Delta v=1 28 e - a1Delta v=0 29 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 0 2 a1Delta 28 1 1 19880.1427 Pf(28) : f1Delta v=1 27 f - a1Delta v=0 28 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 27 1 2 a1Delta 28 0 1 19880.1435 Pe(28) : f1Delta v=1 27 e - a1Delta v=0 28 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 0 2 a1Delta 26 1 1 19886.1861 Pf(26) : f1Delta v=1 25 f - a1Delta v=0 26 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 25 1 2 a1Delta 26 0 1 19886.1861 Pe(26) : f1Delta v=1 25 e - a1Delta v=0 26 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 1 2 a1Delta 25 0 1 19889.1312 Pf(25) : f1Delta v=1 24 f - a1Delta v=0 25 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 24 0 2 a1Delta 25 1 1 19889.1312 Pe(25) : f1Delta v=1 24 e - a1Delta v=0 25 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 0 2 a1Delta 21 1 1 19900.0265 Pe(21) : f1Delta v=1 20 e - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 1 2 a1Delta 21 0 1 19900.0265 Pf(21) : f1Delta v=1 20 f - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 1 2 a1Delta 18 0 1 19907.4669 Pe(18) : f1Delta v=1 17 e - a1Delta v=0 18 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 0 2 a1Delta 18 1 1 19907.4672 Pf(18) : f1Delta v=1 17 f - a1Delta v=0 18 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 1 2 a1Delta 17 0 1 19909.7962 Pf(17) : f1Delta v=1 16 f - a1Delta v=0 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 0 2 a1Delta 17 1 1 19909.7962 Pe(17) : f1Delta v=1 16 e - a1Delta v=0 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 15 0 2 a1Delta 16 1 1 19912.0665 Pf(16) : f1Delta v=1 15 f - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 15 1 2 a1Delta 16 0 1 19912.0667 Pe(16) : f1Delta v=1 15 e - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 1 2 a1Delta 21 0 1 19942.9347 Rf(21) : f1Delta v=1 22 f - a1Delta v=0 21 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 22 0 2 a1Delta 21 1 1 19942.9347 Re(21) : f1Delta v=1 22 e - a1Delta v=0 21 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 0 2 a1Delta 20 1 1 19943.4886 Rf(20) : f1Delta v=1 21 f - a1Delta v=0 20 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 21 1 2 a1Delta 20 0 1 19943.4886 Re(20) : f1Delta v=1 21 e - a1Delta v=0 20 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 0 2 a1Delta 19 1 1 19943.9807 Re(19) : f1Delta v=1 20 e - a1Delta v=0 19 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 20 1 2 a1Delta 19 0 1 19943.9807 Rf(19) : f1Delta v=1 20 f - a1Delta v=0 19 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 10 1 2 a1Delta 9 0 1 19944.7272 Rf(9) : f1Delta v=1 10 f - a1Delta v=0 9 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 18 0 2 a1Delta 17 1 1 19944.7272 Re(17) : f1Delta v=1 18 e - a1Delta v=0 17 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 10 0 2 a1Delta 9 1 1 19944.7272 Re(9) : f1Delta v=1 10 e - a1Delta v=0 9 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 18 1 2 a1Delta 17 0 1 19944.7278 Rf(17) : f1Delta v=1 18 f - a1Delta v=0 17 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 1 2 a1Delta 16 0 1 19944.9753 Re(16) : f1Delta v=1 17 e - a1Delta v=0 16 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 11 1 2 a1Delta 10 0 1 19944.9753 Re(10) : f1Delta v=1 11 e - a1Delta v=0 10 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 11 0 2 a1Delta 10 1 1 19944.9754 Rf(10) : f1Delta v=1 11 f - a1Delta v=0 10 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 17 0 2 a1Delta 16 1 1 19944.9755 Rf(16) : f1Delta v=1 17 f - a1Delta v=0 16 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 1 2 a1Delta 11 0 1 19945.1683 Rf(11) : f1Delta v=1 12 f - a1Delta v=0 11 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 0 2 a1Delta 15 1 1 19945.1683 Re(15) : f1Delta v=1 16 e - a1Delta v=0 15 e : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 16 1 2 a1Delta 15 0 1 19945.1683 Rf(15) : f1Delta v=1 16 f - a1Delta v=0 15 f : 770629001_Apo_Cal_Atomic.dpt - Overlays LinearMolecule f1Delta 12 0 2 a1Delta 11 1 1 19945.1683 Re(11) : f1Delta v=1 12 e - a1Delta v=0 11 e : 770629001_Apo_Cal_Atomic.dpt - Overlays