NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
27830 |
2rq4   |
cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 8 LEU HA 8 LEU HG 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 71, 76, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 8 LEU HA 8 LEU QQD 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 78, 79, 80, 82, 83, 84,
&end
#
# 8 LEU HN 8 LEU HG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 69, 76, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 9 THR HA 9 THR QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 94, 95, 96,
&end
#
# 10 GLN HA 10 GLN QG 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 109, 110,
&end
#
# 11 GLN HA 11 GLN QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 126, 127,
&end
#
# 11 GLN HA 13 ILE QD1 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 160, 161, 162,
&end
#
# 11 GLN HA 13 ILE QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 121, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 153, 154, 155,
&end
#
# 12 SER HA 13 ILE HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 138, 147, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 12 SER QB 13 ILE HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 147, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 140, 141,
&end
#
# 13 ILE HA 13 ILE QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 160, 161, 162,
&end
#
# 13 ILE HA 13 ILE QG1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 157, 158,
&end
#
# 13 ILE HA 13 ILE QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 153, 154, 155,
&end
#
# 13 ILE HN 13 ILE HB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 147, 151, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 13 ILE HN 13 ILE QG1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 157, 158,
&end
#
# 13 ILE HN 13 ILE QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 147, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 153, 154, 155,
&end
#
# 13 ILE HN 13 ILE HG12 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 147, 157, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 13 ILE HN 13 ILE HG13 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 147, 158, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 13 ILE QG2 13 ILE QG1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 153, 154, 155,
igr2= 157, 158,
&end
#
# 13 ILE QG2 13 ILE HG12 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 157, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 153, 154, 155,
&end
#
# 13 ILE QG2 13 ILE HG13 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 153, 154, 155,
&end
#
# 13 ILE QG2 14 GLY HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 166, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 153, 154, 155,
&end
#
# 15 ALA HA 18 SER QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 175, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 204, 205,
&end
#
# 15 ALA HA 54 SER HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 175, 759, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 15 ALA HA 55 ALA HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 175, 768, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 15 ALA HN 15 ALA QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 173, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 177, 178, 179,
&end
#
# 15 ALA QB 16 ALA HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 16 ALA HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 18 SER QB 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 177, 178, 179,
igr2= 204, 205,
&end
#
# 15 ALA QB 52 VAL HB 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 52 VAL QG1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 177, 178, 179,
igr2= 731, 732, 733,
&end
#
# 15 ALA QB 53 VAL HA 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 54 SER HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 177, 178, 179,
&end
#
# 15 ALA QB 55 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 177, 178, 179,
&end
#
# 16 ALA HA 39 ASP- QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 524, 525,
&end
#
# 16 ALA HA 43 LEU QD2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 593, 594, 595,
&end
#
# 16 ALA HA 55 ALA HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 185, 768, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 16 ALA HA 55 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 772, 773, 774,
&end
#
# 16 ALA HA 56 LYS+ HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 185, 780, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 ALA HN 16 ALA QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 187, 188, 189,
&end
#
# 16 ALA HN 18 SER QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 204, 205,
&end
#
# 16 ALA HN 43 LEU QD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 593, 594, 595,
&end
#
# 16 ALA QB 17 GLY HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 17 GLY HA3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 39 ASP- QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 187, 188, 189,
igr2= 524, 525,
&end
#
# 16 ALA QB 39 ASP- HB2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 39 ASP- HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 525, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN QG 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 187, 188, 189,
igr2= 539, 540,
&end
#
# 16 ALA QB 40 GLN QE2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 187, 188, 189,
igr2= 544, 545,
&end
#
# 16 ALA QB 40 GLN HE21 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 187, 188, 189,
&end
#
# 16 ALA QB 40 GLN HE22 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 187, 188, 189,
&end
#
# 17 GLY HA2 56 LYS+ QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 788, 789,
&end
#
# 17 GLY HA2 56 LYS+ QG 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 785, 786,
&end
#
# 17 GLY HA2 56 LYS+ HD2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 195, 788, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 17 GLY HA2 56 LYS+ HD3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 195, 789, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 18 SER HA 18 SER QB 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 204, 205,
&end
#
# 18 SER HA 19 GLN HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 202, 211, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 18 SER HN 18 SER QB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 204, 205,
&end
#
# 18 SER HN 19 GLN HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 200, 211, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 18 SER QB 19 GLN HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 204, 205,
&end
#
# 18 SER QB 20 LYS+ HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 204, 205,
&end
#
# 18 SER QB 20 LYS+ QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 204, 205,
igr2= 232, 233,
&end
#
# 18 SER QB 54 SER HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 204, 205,
&end
#
# 18 SER QB 55 ALA HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 204, 205,
&end
#
# 19 GLN HA 19 GLN QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 218, 219,
&end
#
# 19 GLN HA 20 LYS+ HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 19 GLN HA 54 SER QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 761, 762,
&end
#
# 19 GLN HA 71 PHE QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1032,1040,
&end
#
# 19 GLN HA 71 PHE QE 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1034,1038,
&end
#
# 19 GLN HN 19 GLN QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 218, 219,
&end
#
# 19 GLN QB 20 LYS+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 215, 216,
&end
#
# 19 GLN QG 56 LYS+ QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 218, 219,
igr2= 788, 789,
&end
#
# 19 GLN QG 56 LYS+ QE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 218, 219,
igr2= 791, 792,
&end
#
# 19 GLN QG 56 LYS+ HD2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 218, 219,
&end
#
# 19 GLN QG 56 LYS+ HD3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 218, 219,
&end
#
# 19 GLN QG 56 LYS+ HG2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 218, 219,
&end
#
# 19 GLN QG 56 LYS+ HG3 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 218, 219,
&end
#
# 19 GLN QG 58 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 218, 219,
&end
#
# 19 GLN QG 58 PHE QE 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 218, 219,
igr2= 826, 830,
&end
#
# 19 GLN QG 71 PHE QD 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 218, 219,
igr2=1032,1040,
&end
#
# 20 LYS+ HA 20 LYS+ QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 238, 239,
&end
#
# 20 LYS+ HA 20 LYS+ QE 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 241, 242,
&end
#
# 20 LYS+ HA 20 LYS+ HG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 LYS+ HA 20 LYS+ HG3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 230, 236, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 20 LYS+ HA 21 GLU- HN 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= 230, 250, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 20 LYS+ HA 21 GLU- QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 254, 255,
&end
#
# 20 LYS+ HA 21 GLU- QG 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 257, 258,
&end
#
# 20 LYS+ HN 20 LYS+ QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 232, 233,
&end
#
# 20 LYS+ HN 20 LYS+ QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 235, 236,
&end
#
# 20 LYS+ HN 20 LYS+ HG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 LYS+ HN 20 LYS+ HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 228, 236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 20 LYS+ HN 21 GLU- HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 228, 250, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 20 LYS+ HN 54 SER QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 761, 762,
&end
#
# 20 LYS+ HN 54 SER HB2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 228, 761, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 20 LYS+ HN 54 SER HB3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 228, 762, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 20 LYS+ QB 20 LYS+ QE 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 232, 233,
igr2= 241, 242,
&end
#
# 20 LYS+ QB 21 GLU- HA 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 232, 233,
&end
#
# 20 LYS+ QB 21 GLU- HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 232, 233,
&end
#
# 20 LYS+ QB 53 VAL QG1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 232, 233,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ QB 54 SER HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 232, 233,
&end
#
# 20 LYS+ QB 54 SER HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 232, 233,
&end
#
# 20 LYS+ QD 53 VAL QG1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 238, 239,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ QE 21 GLU- HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 241, 242,
&end
#
# 20 LYS+ QE 53 VAL QG1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 241, 242,
igr2= 747, 748, 749,
&end
#
# 20 LYS+ QG 20 LYS+ QE 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 235, 236,
igr2= 241, 242,
&end
#
# 20 LYS+ QG 21 GLU- HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 250, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 235, 236,
&end
#
# 20 LYS+ HG2 20 LYS+ QE 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 241, 242,
&end
#
# 20 LYS+ HG3 20 LYS+ QE 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 241, 242,
&end
#
# 21 GLU- HA 21 GLU- HG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 252, 257, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 21 GLU- HA 21 GLU- HG3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 252, 258, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 21 GLU- HA 22 GLY HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 252, 265, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 21 GLU- HA 53 VAL HB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 252, 745, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 21 GLU- HA 53 VAL QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 747, 748, 749,
&end
#
# 21 GLU- HA 54 SER HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 252, 757, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 21 GLU- HA 54 SER QB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 761, 762,
&end
#
# 21 GLU- HA 71 PHE HZ 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 252,1036, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 21 GLU- HA 71 PHE QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1034,1038,
&end
#
# 21 GLU- HA 73 SER HA 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 252,1062, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 21 GLU- HA 73 SER HB2 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 252,1064, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 21 GLU- HA 73 SER HB3 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 252,1065, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 21 GLU- HN 21 GLU- QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 254, 255,
&end
#
# 21 GLU- HN 21 GLU- QG 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 257, 258,
&end
#
# 21 GLU- HN 21 GLU- HG2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 GLU- HN 21 GLU- HG3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 250, 258, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 21 GLU- QB 22 GLY HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 254, 255,
&end
#
# 21 GLU- QB 27 ASN QD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 254, 255,
igr2= 327, 328,
&end
#
# 21 GLU- QG 22 GLY HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 257, 258,
&end
#
# 21 GLU- QG 71 PHE HZ 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 257, 258,
&end
#
# 21 GLU- HB2 22 GLY HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 254, 265, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 21 GLU- HB3 22 GLY HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 255, 265, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 21 GLU- HG2 22 GLY HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 257, 265, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 21 GLU- HG3 22 GLY HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 258, 265, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 22 GLY HN 26 ALA QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 312, 313, 314,
&end
#
# 22 GLY HN 27 ASN QD2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2= 327, 328,
&end
#
# 22 GLY HN 27 ASN HD21 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 265, 327, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 22 GLY HN 27 ASN HD22 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 265, 328, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 22 GLY HN 53 VAL QG1 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 747, 748, 749,
&end
#
# 22 GLY HN 53 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 751, 752, 753,
&end
#
# 22 GLY HN 73 SER QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1064,1065,
&end
#
# 22 GLY HN 73 SER HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 265,1064, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 GLY HN 73 SER HB3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 265,1065, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 22 GLY QA 26 ALA QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 267, 268,
igr2= 312, 313, 314,
&end
#
# 22 GLY QA 53 VAL QG1 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 267, 268,
igr2= 747, 748, 749,
&end
#
# 22 GLY QA 53 VAL QG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 267, 268,
igr2= 751, 752, 753,
&end
#
# 22 GLY QA 73 SER QB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 267, 268,
igr2=1064,1065,
&end
#
# 22 GLY HA2 23 PROO HD2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 267, 273, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 22 GLY HA2 23 PROO HD3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 22 GLY HA2 53 VAL QG1 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 747, 748, 749,
&end
#
# 22 GLY HA2 53 VAL QG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 751, 752, 753,
&end
#
# 22 GLY HA3 23 PROO HD2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 22 GLY HA3 23 PROO HD3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 268, 274, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 22 GLY HA3 53 VAL QG1 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 747, 748, 749,
&end
#
# 22 GLY HA3 53 VAL QG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 751, 752, 753,
&end
#
# 23 PROO HA 23 PROO QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 276, 277,
&end
#
# 23 PROO HA 24 GLU- HN 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 23 PROO HA 24 GLU- HB2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 23 PROO HA 24 GLU- HB3 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 282, 291, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 23 PROO QB 24 GLU- HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr1= 279, 280,
&end
#
# 23 PROO QB 26 ALA QB 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 279, 280,
igr2= 312, 313, 314,
&end
#
# 23 PROO QB 77 PROO HD3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 279, 280,
&end
#
# 23 PROO QD 23 PROO QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 273, 274,
igr2= 279, 280,
&end
#
# 23 PROO QD 26 ALA QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 273, 274,
igr2= 312, 313, 314,
&end
#
# 23 PROO QD 75 ASP- HA 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 273, 274,
&end
#
# 23 PROO QG 24 GLU- HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 286, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 276, 277,
&end
#
# 23 PROO QG 26 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 276, 277,
igr2= 312, 313, 314,
&end
#
# 23 PROO QG 77 PROO HD2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 276, 277,
&end
#
# 23 PROO QG 77 PROO HD3 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 276, 277,
&end
#
# 23 PROO HB2 24 GLU- HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 279, 286, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 PROO HB2 26 ALA QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 279, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 312, 313, 314,
&end
#
# 23 PROO HB3 24 GLU- HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 280, 286, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 PROO HB3 26 ALA QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 312, 313, 314,
&end
#
# 23 PROO HD2 23 PROO HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 273, 279, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 PROO HD2 23 PROO HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 273, 280, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 PROO HD2 23 PROO HG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 273, 276, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 PROO HD2 23 PROO HG3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 273, 277, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 PROO HD2 26 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 312, 313, 314,
&end
#
# 23 PROO HD2 53 VAL QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 751, 752, 753,
&end
#
# 23 PROO HD2 75 ASP- HA 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 273,1094, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 23 PROO HD3 23 PROO HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 274, 279, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 PROO HD3 23 PROO HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 274, 280, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 23 PROO HD3 23 PROO HG2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 274, 276, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 PROO HD3 23 PROO HG3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 274, 277, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 PROO HD3 26 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 312, 313, 314,
&end
#
# 23 PROO HD3 53 VAL QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 751, 752, 753,
&end
#
# 23 PROO HD3 75 ASP- HA 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 274,1094, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 23 PROO HG2 24 GLU- HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 276, 286, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 23 PROO HG2 26 ALA QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 312, 313, 314,
&end
#
# 23 PROO HG2 76 ASN HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 276,1106, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 23 PROO HG2 77 PROO HD3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 276,1120, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 23 PROO HG3 24 GLU- HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 277, 286, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 23 PROO HG3 26 ALA QB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 277, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 312, 313, 314,
&end
#
# 23 PROO HG3 76 ASN HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 277,1106, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 23 PROO HG3 77 PROO HD3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 277,1120, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 24 GLU HA 25 GLY HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 288, 301, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 24 GLU- HA 24 GLU- QG 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 293, 294,
&end
#
# 24 GLU- HA 25 GLY HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 288, 301, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 24 GLU- HA 26 ALA HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 288, 308, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 24 GLU- HA 26 ALA QB 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2= 312, 313, 314,
&end
#
# 24 GLU- HA 27 ASN HD21 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 288, 327, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 24 GLU- HA 27 ASN HD22 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 288, 328, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 24 GLU- HN 24 GLU- QB 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
igr2= 290, 291,
&end
#
# 24 GLU- HN 24 GLU- QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 286, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 293, 294,
&end
#
# 24 GLU- HN 24 GLU- HB2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 286, 290, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 24 GLU- HN 24 GLU- HB3 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 24 GLU- QG 25 GLY HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 301, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 293, 294,
&end
#
# 24 GLU- HB2 25 GLY HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 290, 301, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 24 GLU- HB3 25 GLY HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 291, 301, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 25 GLY HN 26 ALA HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 301, 308, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 25 GLY HN 26 ALA QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 312, 313, 314,
&end
#
# 25 GLY HN 27 ASN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 301, 318, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 25 GLY HN 27 ASN QD2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 301, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 327, 328,
&end
#
# 25 GLY HN 27 ASN HD21 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 301, 327, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 25 GLY HN 27 ASN HD22 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 301, 328, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 25 GLY HA2 77 PROO QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1125,1126,
&end
#
# 25 GLY HA2 77 PROO HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303,1123, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HA2 101 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1500,1501,1502,
&end
#
# 25 GLY HA2 101 LEU QD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1504,1505,1506,
&end
#
# 25 GLY HA3 77 PROO QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1125,1126,
&end
#
# 25 GLY HA3 77 PROO HB2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 304,1125, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 25 GLY HA3 77 PROO HB3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 304,1126, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 25 GLY HA3 101 LEU QD1 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1500,1501,1502,
&end
#
# 25 GLY HA3 101 LEU QD2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1504,1505,1506,
&end
#
# 26 ALA HA 77 PROO HA 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 310,1128, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 26 ALA HA 80 ALA HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 310,1159, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 ALA HA 80 ALA QB 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1163,1164,1165,
&end
#
# 26 ALA HN 26 ALA QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 312, 313, 314,
&end
#
# 26 ALA HN 27 ASN HA 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 308, 320, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 26 ALA HN 27 ASN HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 308, 318, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 26 ALA HN 27 ASN QD2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 327, 328,
&end
#
# 26 ALA QB 27 ASN HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 73 SER HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 74 TYR HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 74 TYR QD 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 312, 313, 314,
igr2=1079,1088,
&end
#
# 26 ALA QB 74 TYR HB2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 74 TYR HB3 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 76 ASN HA 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1106, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 76 ASN HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 77 PROO HA 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 77 PROO QB 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 312, 313, 314,
igr2=1125,1126,
&end
#
# 26 ALA QB 77 PROO HD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 77 PROO HD3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 80 ALA HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 312, 313, 314,
&end
#
# 26 ALA QB 80 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 312, 313, 314,
igr2=1163,1164,1165,
&end
#
# 27 ASN HA 28 LEU HG 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 320, 339, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 27 ASN HA 28 LEU HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 320, 332, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 27 ASN HA 73 SER HA 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 320,1062, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 27 ASN HA 73 SER HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 320,1064, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 ASN HA 73 SER HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 320,1065, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 ASN HA 74 TYR HN 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 320,1071, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 27 ASN HA 80 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 320, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1163,1164,1165,
&end
#
# 27 ASN HN 27 ASN QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 322, 323,
&end
#
# 27 ASN HN 27 ASN HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 27 ASN HN 27 ASN HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 27 ASN HN 27 ASN QD2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 327, 328,
&end
#
# 27 ASN HN 27 ASN HD21 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 318, 327, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 27 ASN HN 27 ASN HD22 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 27 ASN HN 28 LEU QD2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 345, 346, 347,
&end
#
# 27 ASN HN 80 ALA QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1163,1164,1165,
&end
#
# 27 ASN HN 101 LEU QD1 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2=1500,1501,1502,
&end
#
# 27 ASN HN 101 LEU QD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1504,1505,1506,
&end
#
# 27 ASN QB 27 ASN QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 322, 323,
igr2= 327, 328,
&end
#
# 27 ASN QB 28 LEU HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 322, 323,
&end
#
# 27 ASN QB 71 PHE HZ 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 322, 323,
&end
#
# 27 ASN QB 71 PHE QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 322, 323,
igr2=1034,1038,
&end
#
# 27 ASN QB 102 LYS+ HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 322, 323,
&end
#
# 27 ASN QB 102 LYS+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 322, 323,
&end
#
# 27 ASN QB 102 LYS+ QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 322, 323,
igr2=1514,1515,
&end
#
# 27 ASN HB2 28 LEU HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 322, 332, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 27 ASN HB2 29 PHE QE 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 361, 365,
&end
#
# 27 ASN HB2 71 PHE QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 322, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1034,1038,
&end
#
# 27 ASN HB2 102 LYS+ HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 322,1510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 27 ASN HB2 102 LYS+ HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 322,1514, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 ASN HB2 102 LYS+ HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 322,1515, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 ASN HB3 28 LEU HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 323, 332, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 27 ASN HB3 29 PHE QE 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 361, 365,
&end
#
# 27 ASN HB3 71 PHE QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1034,1038,
&end
#
# 27 ASN HB3 102 LYS+ HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 323,1510, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 27 ASN HB3 102 LYS+ HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 323,1514, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 27 ASN HB3 102 LYS+ HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 323,1515, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 28 LEU HA 28 LEU HG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 334, 339, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 28 LEU HA 28 LEU QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 341, 342, 343,
&end
#
# 28 LEU HA 28 LEU QD2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 345, 346, 347,
&end
#
# 28 LEU HA 29 PHE HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 28 LEU HA 80 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1163,1164,1165,
&end
#
# 28 LEU HA 101 LEU HA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 334,1493, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 LEU HA 101 LEU QD2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1504,1505,1506,
&end
#
# 28 LEU HA 102 LYS+ HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 334,1510, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 28 LEU HG 72 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1050,1051,1052,
&end
#
# 28 LEU HG 74 TYR QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1079,1088,
&end
#
# 28 LEU HG 74 TYR QE 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1081,1086,
&end
#
# 28 LEU HG 80 ALA HA 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 339,1161, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 28 LEU HG 80 ALA QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1163,1164,1165,
&end
#
# 28 LEU HN 28 LEU HG 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 332, 339, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 28 LEU HN 28 LEU HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 28 LEU HN 28 LEU HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 332, 337, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 28 LEU HN 28 LEU QD1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 341, 342, 343,
&end
#
# 28 LEU HN 28 LEU QD2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 332, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 345, 346, 347,
&end
#
# 28 LEU HN 72 VAL HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 332,1044, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 28 LEU HN 73 SER HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 332,1062, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 LEU HB2 28 LEU QD1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 341, 342, 343,
&end
#
# 28 LEU HB2 29 PHE HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 336, 351, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 28 LEU HB2 30 ILE QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 384, 385, 386,
&end
#
# 28 LEU HB2 72 VAL HB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 336,1048, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 28 LEU HB2 72 VAL HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 336,1044, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 28 LEU HB3 28 LEU QD1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 341, 342, 343,
&end
#
# 28 LEU HB3 28 LEU QD2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 345, 346, 347,
&end
#
# 28 LEU HB3 29 PHE HA 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 337, 353, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 28 LEU HB3 29 PHE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 337, 351, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 28 LEU HB3 30 ILE QD1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 384, 385, 386,
&end
#
# 28 LEU HB3 72 VAL HN 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 337,1044, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 28 LEU HB3 99 VAL QG1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1464,1465,1466,
&end
#
# 28 LEU HB3 100 GLN HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 337,1474, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 28 LEU QD1 30 ILE QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 341, 342, 343,
igr2= 384, 385, 386,
&end
#
# 28 LEU QD1 46 PHE QD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 341, 342, 343,
igr2= 641, 649,
&end
#
# 28 LEU QD1 46 PHE QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 341, 342, 343,
igr2= 643, 647,
&end
#
# 28 LEU QD1 72 VAL HB 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 72 VAL QG1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 341, 342, 343,
igr2=1050,1051,1052,
&end
#
# 28 LEU QD1 74 TYR QD 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 341, 342, 343,
igr2=1079,1088,
&end
#
# 28 LEU QD1 74 TYR QE 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 341, 342, 343,
igr2=1081,1086,
&end
#
# 28 LEU QD1 80 ALA HA 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 80 ALA QB 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 341, 342, 343,
igr2=1163,1164,1165,
&end
#
# 28 LEU QD1 83 ALA HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 83 ALA QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 341, 342, 343,
igr2=1200,1201,1202,
&end
#
# 28 LEU QD1 84 ILE HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 341, 342, 343,
&end
#
# 28 LEU QD1 99 VAL QG1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 341, 342, 343,
igr2=1464,1465,1466,
&end
#
# 28 LEU QD2 29 PHE HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 73 SER HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 74 TYR QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 345, 346, 347,
igr2=1081,1086,
&end
#
# 28 LEU QD2 80 ALA HA 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 80 ALA QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 345, 346, 347,
igr2=1163,1164,1165,
&end
#
# 28 LEU QD2 84 ILE HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 84 ILE HG12 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 99 VAL QG1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 345, 346, 347,
igr2=1464,1465,1466,
&end
#
# 28 LEU QD2 100 GLN HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 101 LEU HA 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 101 LEU HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 345, 346, 347,
&end
#
# 28 LEU QD2 102 LYS+ HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 345, 346, 347,
&end
#
# 29 PHE HA 29 PHE QD 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 359, 367,
&end
#
# 29 PHE HA 30 ILE HB 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 353, 375, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 29 PHE HA 30 ILE HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 353, 371, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 29 PHE HA 30 ILE QD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 384, 385, 386,
&end
#
# 29 PHE HA 30 ILE HG12 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 353, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PHE HA 30 ILE HG13 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 353, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 PHE HA 71 PHE HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 353,1026, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 29 PHE HA 72 VAL HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 353,1044, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 29 PHE HN 29 PHE QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 355, 356,
&end
#
# 29 PHE HN 29 PHE QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 359, 367,
&end
#
# 29 PHE HN 30 ILE QD1 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 384, 385, 386,
&end
#
# 29 PHE HN 100 GLN HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 351,1474, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 29 PHE HN 101 LEU HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 351,1493, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 29 PHE HN 102 LYS+ HN 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 351,1510, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 29 PHE HZ 102 LYS+ QD 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1520,1521,
&end
#
# 29 PHE HZ 102 LYS+ QE 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1523,1524,
&end
#
# 29 PHE HZ 102 LYS+ QG 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1517,1518,
&end
#
# 29 PHE QB 30 ILE HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 355, 356,
&end
#
# 29 PHE QB 31 TYR QD 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 355, 356,
igr2= 398, 407,
&end
#
# 29 PHE QB 31 TYR QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 355, 356,
igr2= 400, 405,
&end
#
# 29 PHE QB 100 GLN HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 355, 356,
&end
#
# 29 PHE QB 102 LYS+ HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 355, 356,
&end
#
# 29 PHE QD 30 ILE HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 359, 367,
&end
#
# 29 PHE QD 71 PHE HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 359, 367,
&end
#
# 29 PHE QD 71 PHE HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 359, 367,
&end
#
# 29 PHE QD 102 LYS+ HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 359, 367,
&end
#
# 29 PHE QD 102 LYS+ QG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 359, 367,
igr2=1517,1518,
&end
#
# 29 PHE QE 70 GLY HN 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1= 361, 365,
&end
#
# 29 PHE QE 71 PHE HB2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 361, 365,
&end
#
# 29 PHE QE 102 LYS+ HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1512, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 361, 365,
&end
#
# 29 PHE QE 102 LYS+ QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 361, 365,
igr2=1514,1515,
&end
#
# 29 PHE QE 102 LYS+ QE 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 361, 365,
igr2=1523,1524,
&end
#
# 29 PHE QE 102 LYS+ QG 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 361, 365,
igr2=1517,1518,
&end
#
# 30 ILE HA 30 ILE QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 384, 385, 386,
&end
#
# 30 ILE HA 30 ILE QG1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 381, 382,
&end
#
# 30 ILE HA 30 ILE QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 377, 378, 379,
&end
#
# 30 ILE HA 31 TYR HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 373, 390, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 30 ILE HA 31 TYR QD 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 398, 407,
&end
#
# 30 ILE HA 99 VAL HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 373,1460, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 30 ILE HA 99 VAL QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1468,1469,1470,
&end
#
# 30 ILE HB 30 ILE QD1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 384, 385, 386,
&end
#
# 30 ILE HB 31 TYR HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 375, 390, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 30 ILE HB 33 LEU QD2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 441, 442, 443,
&end
#
# 30 ILE HB 69 PHE HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 375, 999, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 30 ILE HB 70 GLY HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 375,1017, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 30 ILE HN 30 ILE HB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 371, 375, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 30 ILE HN 30 ILE QD1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 384, 385, 386,
&end
#
# 30 ILE HN 30 ILE QG1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 381, 382,
&end
#
# 30 ILE HN 30 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 377, 378, 379,
&end
#
# 30 ILE HN 30 ILE HG12 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 371, 381, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 ILE HN 30 ILE HG13 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 371, 382, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 ILE HN 70 GLY HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 371,1017, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 30 ILE HN 71 PHE HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 371,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ILE HN 71 PHE HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 371,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 30 ILE QD1 46 PHE HZ 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 46 PHE QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 384, 385, 386,
igr2= 641, 649,
&end
#
# 30 ILE QD1 46 PHE QE 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 384, 385, 386,
igr2= 643, 647,
&end
#
# 30 ILE QD1 72 VAL HB 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 72 VAL HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 99 VAL HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 384, 385, 386,
&end
#
# 30 ILE QD1 99 VAL QG1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 384, 385, 386,
igr2=1464,1465,1466,
&end
#
# 30 ILE QD1 100 GLN HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 384, 385, 386,
&end
#
# 30 ILE QG1 33 LEU QD2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 381, 382,
igr2= 441, 442, 443,
&end
#
# 30 ILE QG1 46 PHE HZ 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 381, 382,
&end
#
# 30 ILE QG1 46 PHE QE 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 381, 382,
igr2= 643, 647,
&end
#
# 30 ILE QG1 72 VAL HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 381, 382,
&end
#
# 30 ILE QG1 99 VAL QG1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 381, 382,
igr2=1464,1465,1466,
&end
#
# 30 ILE QG2 30 ILE QD1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 377, 378, 379,
igr2= 384, 385, 386,
&end
#
# 30 ILE QG2 30 ILE QG1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 377, 378, 379,
igr2= 381, 382,
&end
#
# 30 ILE QG2 30 ILE HG12 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 30 ILE HG13 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 31 TYR HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 392, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 31 TYR HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 31 TYR QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 377, 378, 379,
igr2= 398, 407,
&end
#
# 30 ILE QG2 33 LEU HG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 33 LEU QD1 1.80 2.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 377, 378, 379,
igr2= 437, 438, 439,
&end
#
# 30 ILE QG2 33 LEU QD2 1.80 2.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 377, 378, 379,
igr2= 441, 442, 443,
&end
#
# 30 ILE QG2 46 PHE HZ 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 46 PHE QE 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 377, 378, 379,
igr2= 643, 647,
&end
#
# 30 ILE QG2 69 PHE HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 70 GLY HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 377, 378, 379,
&end
#
# 30 ILE QG2 98 LYS+ HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 377, 378, 379,
&end
#
# 30 ILE HG12 46 PHE HZ 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 381, 645, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 ILE HG13 46 PHE HZ 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 382, 645, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 31 TYR HA 31 TYR QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 398, 407,
&end
#
# 31 TYR HA 33 LEU HG 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 392, 435, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 31 TYR HA 33 LEU HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 392, 428, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 31 TYR HA 69 PHE HA 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 392, 999, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 31 TYR HA 69 PHE QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1001,1002,
&end
#
# 31 TYR HA 69 PHE QD 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2=1005,1013,
&end
#
# 31 TYR HA 70 GLY HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 392,1017, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 31 TYR HN 31 TYR QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 398, 407,
&end
#
# 31 TYR HN 31 TYR HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 31 TYR HN 31 TYR HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 31 TYR HN 33 LEU HG 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 390, 435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 TYR HN 98 LYS+ HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 390,1436, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 31 TYR HN 98 LYS+ QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1440,1441,
&end
#
# 31 TYR HN 99 VAL HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 390,1460, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 TYR HN 99 VAL HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 390,1460, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 31 TYR HN 99 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1468,1469,1470,
&end
#
# 31 TYR QD 32 HIS HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 411, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 398, 407,
&end
#
# 31 TYR QD 69 PHE QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 398, 407,
igr2=1001,1002,
&end
#
# 31 TYR QD 98 LYS+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 398, 407,
&end
#
# 31 TYR QD 98 LYS+ QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 398, 407,
igr2=1440,1441,
&end
#
# 31 TYR QD 98 LYS+ QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 398, 407,
igr2=1446,1447,
&end
#
# 31 TYR QD 98 LYS+ QE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 398, 407,
igr2=1449,1450,
&end
#
# 31 TYR QD 98 LYS+ QG 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 398, 407,
igr2=1443,1444,
&end
#
# 31 TYR QE 69 PHE QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 400, 405,
igr2=1001,1002,
&end
#
# 31 TYR QE 98 LYS+ QB 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 400, 405,
igr2=1440,1441,
&end
#
# 31 TYR QE 98 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 400, 405,
igr2=1446,1447,
&end
#
# 31 TYR QE 98 LYS+ QG 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
igr1= 400, 405,
igr2=1443,1444,
&end
#
# 31 TYR QE 100 GLN QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 400, 405,
igr2=1478,1479,
&end
#
# 31 TYR QE 100 GLN QG 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 400, 405,
igr2=1481,1482,
&end
#
# 31 TYR QE 100 GLN HB2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 400, 405,
&end
#
# 31 TYR QE 100 GLN HB3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 400, 405,
&end
#
# 31 TYR HB2 32 HIS HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 394, 411, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 31 TYR HB2 69 PHE QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1001,1002,
&end
#
# 31 TYR HB2 98 LYS+ HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 394,1436, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 31 TYR HB2 98 LYS+ QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1440,1441,
&end
#
# 31 TYR HB2 98 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1446,1447,
&end
#
# 31 TYR HB2 98 LYS+ QG 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1443,1444,
&end
#
# 31 TYR HB3 32 HIS HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 395, 411, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 31 TYR HB3 69 PHE QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1001,1002,
&end
#
# 31 TYR HB3 98 LYS+ QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1440,1441,
&end
#
# 32 HIS HA 32 HIS HD2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 413, 424, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 32 HIS HA 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 32 HIS HA 69 PHE QE 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1007,1011,
&end
#
# 32 HIS HN 32 HIS HD2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 411, 424, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 32 HIS HN 33 LEU HG 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 411, 435, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 32 HIS HN 33 LEU HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 411, 428, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 32 HIS HN 69 PHE HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 411, 999, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 32 HIS HN 69 PHE QB 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1001,1002,
&end
#
# 32 HIS HB2 95 LYS+ QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1375,1376,
&end
#
# 32 HIS HB2 95 LYS+ QD 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 415, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1381,1382,
&end
#
# 32 HIS HB2 96 ARG+ HN 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 415,1393, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 32 HIS HB2 97 LEU HA 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 415,1419, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 32 HIS HB2 98 LYS+ HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 415,1436, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 32 HIS HB3 95 LYS+ QB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1375,1376,
&end
#
# 32 HIS HB3 95 LYS+ QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1381,1382,
&end
#
# 32 HIS HB3 96 ARG+ HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 416,1393, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 32 HIS HB3 97 LEU HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 416,1419, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 32 HIS HB3 97 LEU QD2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 416, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1430,1431,1432,
&end
#
# 32 HIS HB3 98 LYS+ HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 416,1436, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 32 HIS HD2 98 LYS+ HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 424,1436, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 32 HIS HD2 98 LYS+ QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1440,1441,
&end
#
# 32 HIS HD2 98 LYS+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1443,1444,
&end
#
# 32 HIS HE1 98 LYS+ QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1440,1441,
&end
#
# 32 HIS HE1 98 LYS+ QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1449,1450,
&end
#
# 33 LEU HA 33 LEU HG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 430, 435, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 33 LEU HA 33 LEU QD1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 437, 438, 439,
&end
#
# 33 LEU HA 33 LEU QD2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 441, 442, 443,
&end
#
# 33 LEU HA 34 PROO HD2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 33 LEU HA 34 PROO HD3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 430, 449, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 33 LEU HA 34 PROO HG2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 430, 451, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 33 LEU HA 34 PROO HG3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 430, 452, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 33 LEU HA 92 ILE QD1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1341,1342,1343,
&end
#
# 33 LEU HA 92 ILE QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1334,1335,1336,
&end
#
# 33 LEU HA 97 LEU QD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1426,1427,1428,
&end
#
# 33 LEU HA 97 LEU QD2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1430,1431,1432,
&end
#
# 33 LEU HG 69 PHE HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 435, 999, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 33 LEU HN 33 LEU HG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 33 LEU HN 33 LEU QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 432, 433,
&end
#
# 33 LEU HN 33 LEU QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 437, 438, 439,
&end
#
# 33 LEU HN 33 LEU QD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 441, 442, 443,
&end
#
# 33 LEU HN 68 CYS HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 428, 990, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 33 LEU HN 68 CYS HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 428, 991, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 LEU HN 69 PHE HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 428, 999, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 33 LEU HN 97 LEU QD2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1430,1431,1432,
&end
#
# 33 LEU QB 33 LEU QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 432, 433,
igr2= 437, 438, 439,
&end
#
# 33 LEU QB 33 LEU QD2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 432, 433,
igr2= 441, 442, 443,
&end
#
# 33 LEU QB 34 PROO QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 432, 433,
igr2= 448, 449,
&end
#
# 33 LEU QB 34 PROO QG 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 432, 433,
igr2= 451, 452,
&end
#
# 33 LEU QB 34 PROO HD2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 432, 433,
&end
#
# 33 LEU QB 34 PROO HD3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 432, 433,
&end
#
# 33 LEU QB 37 PHE QD 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 432, 433,
igr2= 501, 509,
&end
#
# 33 LEU QB 37 PHE HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 432, 433,
&end
#
# 33 LEU QB 37 PHE HB3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 432, 433,
&end
#
# 33 LEU QB 42 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 432, 433,
&end
#
# 33 LEU QB 68 CYS HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 432, 433,
&end
#
# 33 LEU QB 68 CYS HB2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 990, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 432, 433,
&end
#
# 33 LEU QB 68 CYS HB3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 991, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 432, 433,
&end
#
# 33 LEU QB 69 PHE HA 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 432, 433,
&end
#
# 33 LEU QD1 34 PROO QD 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 437, 438, 439,
igr2= 448, 449,
&end
#
# 33 LEU QD1 37 PHE QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 437, 438, 439,
igr2= 501, 509,
&end
#
# 33 LEU QD1 37 PHE HB2 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 37 PHE HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 69 PHE HA 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 69 PHE HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 69 PHE QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 437, 438, 439,
igr2=1001,1002,
&end
#
# 33 LEU QD1 70 GLY HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 437, 438, 439,
&end
#
# 33 LEU QD1 70 GLY QA 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 437, 438, 439,
igr2=1019,1020,
&end
#
# 33 LEU QD2 34 PROO QD 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 441, 442, 443,
igr2= 448, 449,
&end
#
# 33 LEU QD2 34 PROO HD2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 34 PROO HD3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 37 PHE QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 441, 442, 443,
igr2= 501, 509,
&end
#
# 33 LEU QD2 37 PHE QE 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 441, 442, 443,
igr2= 503, 507,
&end
#
# 33 LEU QD2 37 PHE HB2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 42 LEU HA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 441, 442, 443,
&end
#
# 33 LEU QD2 45 MET QE 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 441, 442, 443,
igr2= 627, 628, 629,
&end
#
# 34 PROO HA 34 PROO HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 457, 451, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 34 PROO HA 34 PROO HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 457, 452, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 34 PROO HA 95 LYS+ QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1384,1385,
&end
#
# 34 PROO HA 95 LYS+ HE2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 457,1384, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 34 PROO HA 95 LYS+ HE3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 457,1385, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 34 PROO QD 34 PROO QG 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 448, 449,
igr2= 451, 452,
&end
#
# 34 PROO QD 34 PROO HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 448, 449,
&end
#
# 34 PROO QD 37 PHE QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 448, 449,
igr2= 501, 509,
&end
#
# 34 PROO QD 37 PHE HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 448, 449,
&end
#
# 34 PROO QD 37 PHE HB3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 498, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 448, 449,
&end
#
# 34 PROO QD 92 ILE QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 448, 449,
igr2=1341,1342,1343,
&end
#
# 34 PROO QD 92 ILE QG2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 448, 449,
igr2=1334,1335,1336,
&end
#
# 34 PROO QD 97 LEU QD2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 448, 449,
igr2=1430,1431,1432,
&end
#
# 34 PROO QG 36 GLU- HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 451, 452,
&end
#
# 34 PROO QG 37 PHE QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 451, 452,
igr2= 501, 509,
&end
#
# 34 PROO QG 37 PHE QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 451, 452,
igr2= 503, 507,
&end
#
# 34 PROO QG 37 PHE HB2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 451, 452,
&end
#
# 34 PROO QG 92 ILE QD1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 451, 452,
igr2=1341,1342,1343,
&end
#
# 34 PROO QG 92 ILE QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 451, 452,
igr2=1338,1339,
&end
#
# 34 PROO HB2 36 GLU- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 454, 478, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 34 PROO HB2 36 GLU- QG 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 485, 486,
&end
#
# 34 PROO HB2 37 PHE HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 454, 493, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 34 PROO HB2 37 PHE QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 501, 509,
&end
#
# 34 PROO HB2 37 PHE HB2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 454, 497, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 34 PROO HB2 92 ILE QG2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2=1334,1335,1336,
&end
#
# 34 PROO HB3 36 GLU- HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 455, 478, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 34 PROO HB3 37 PHE HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 455, 493, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 34 PROO HB3 37 PHE QD 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 501, 509,
&end
#
# 34 PROO HB3 37 PHE HB2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 455, 497, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 34 PROO HB3 92 ILE QG2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1334,1335,1336,
&end
#
# 34 PROO HD2 34 PROO HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 448, 451, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 PROO HD2 34 PROO HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 PROO HD2 92 ILE QG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1334,1335,1336,
&end
#
# 34 PROO HD2 97 LEU QD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1430,1431,1432,
&end
#
# 34 PROO HD3 34 PROO HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 449, 451, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 PROO HD3 34 PROO HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 449, 452, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 34 PROO HD3 92 ILE QG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1334,1335,1336,
&end
#
# 34 PROO HD3 97 LEU QD2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1430,1431,1432,
&end
#
# 34 PROO HG2 92 ILE QD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1341,1342,1343,
&end
#
# 34 PROO HG3 92 ILE QD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1341,1342,1343,
&end
#
# 35 GLN HA 35 GLN QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 468, 469,
&end
#
# 35 GLN HA 35 GLN HG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 463, 468, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 35 GLN HA 35 GLN HG3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 463, 469, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 35 GLN HA 37 PHE HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 463, 493, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 35 GLN QB 36 GLU- HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 465, 466,
&end
#
# 35 GLN QG 36 GLU- HA 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 480, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 468, 469,
&end
#
# 35 GLN QG 36 GLU- HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 478, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 468, 469,
&end
#
# 35 GLN HB2 36 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 465, 478, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 GLN HB3 36 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 466, 478, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 35 GLN HG2 36 GLU- HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 468, 478, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 35 GLN HG3 36 GLU- HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 469, 478, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 36 GLU- HA 36 GLU- QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 480, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 485, 486,
&end
#
# 36 GLU- HN 36 GLU- QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 485, 486,
&end
#
# 36 GLU- HN 36 GLU- HB2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 478, 482, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 36 GLU- HN 36 GLU- HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 478, 483, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 36 GLU- HN 37 PHE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 478, 493, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 36 GLU- HN 37 PHE HB2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 478, 497, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 36 GLU- QG 37 PHE HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 485, 486,
&end
#
# 36 GLU- QG 37 PHE QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 485, 486,
igr2= 501, 509,
&end
#
# 36 GLU- HB2 37 PHE HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 482, 493, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 36 GLU- HB3 37 PHE HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 483, 493, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 37 PHE HA 37 PHE QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 501, 509,
&end
#
# 37 PHE HA 38 GLY HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 495, 513, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 37 PHE HA 41 ASP- QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 553, 554,
&end
#
# 37 PHE HA 41 ASP- HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 495, 553, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PHE HA 41 ASP- HB3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 495, 554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 PHE HN 37 PHE QD 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 501, 509,
&end
#
# 37 PHE HN 37 PHE HB2 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 37 PHE HN 37 PHE HB3 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 493, 498, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 37 PHE HZ 41 ASP- QB 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 553, 554,
&end
#
# 37 PHE HZ 45 MET QE 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 627, 628, 629,
&end
#
# 37 PHE HZ 92 ILE QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1341,1342,1343,
&end
#
# 37 PHE HZ 92 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 505, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1341,1342,1343,
&end
#
# 37 PHE QD 38 GLY HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 501, 509,
&end
#
# 37 PHE QD 38 GLY HA3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1= 501, 509,
&end
#
# 37 PHE QD 38 GLY HA3 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr1= 501, 509,
&end
#
# 37 PHE QD 41 ASP- QB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 501, 509,
igr2= 553, 554,
&end
#
# 37 PHE QD 41 ASP- HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 501, 509,
&end
#
# 37 PHE QD 41 ASP- HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 501, 509,
&end
#
# 37 PHE QD 42 LEU HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 501, 509,
&end
#
# 37 PHE QD 42 LEU QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 501, 509,
igr2= 570, 571, 572,
&end
#
# 37 PHE QD 45 MET QE 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 501, 509,
igr2= 627, 628, 629,
&end
#
# 37 PHE QD 57 VAL QG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 501, 509,
igr2= 810, 811, 812,
&end
#
# 37 PHE QE 41 ASP- QB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 503, 507,
igr2= 553, 554,
&end
#
# 37 PHE QE 41 ASP- HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 553, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 503, 507,
&end
#
# 37 PHE QE 41 ASP- HB3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 554, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 503, 507,
&end
#
# 37 PHE QE 42 LEU HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 503, 507,
&end
#
# 37 PHE QE 42 LEU QD1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 503, 507,
igr2= 570, 571, 572,
&end
#
# 37 PHE QE 45 MET QB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 503, 507,
igr2= 620, 621,
&end
#
# 37 PHE QE 45 MET QE 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 503, 507,
igr2= 627, 628, 629,
&end
#
# 37 PHE QE 45 MET QG 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 503, 507,
igr2= 623, 624,
&end
#
# 37 PHE QE 92 ILE QD1 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 503, 507,
igr2=1341,1342,1343,
&end
#
# 37 PHE HB2 38 GLY HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 497, 513, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 37 PHE HB3 38 GLY HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 498, 513, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 37 PHE HB3 41 ASP- QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 553, 554,
&end
#
# 37 PHE HB3 41 ASP- HB2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 498, 553, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 37 PHE HB3 41 ASP- HB3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 498, 554, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 37 PHE HB3 57 VAL QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 810, 811, 812,
&end
#
# 38 GLY HN 41 ASP- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 513, 549, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 38 GLY HN 41 ASP- QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 553, 554,
&end
#
# 38 GLY HN 41 ASP- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 513, 553, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 38 GLY HN 41 ASP- HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 513, 554, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 38 GLY HN 42 LEU HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 513, 561, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 38 GLY HA2 57 VAL HB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 515, 804, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 GLY HA2 57 VAL QG1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 806, 807, 808,
&end
#
# 38 GLY HA2 57 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 810, 811, 812,
&end
#
# 38 GLY HA3 41 ASP- HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 516, 549, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 38 GLY HA3 57 VAL QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 810, 811, 812,
&end
#
# 39 ASP- HA 42 LEU HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 522, 561, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 ASP- HA 42 LEU HB2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 522, 565, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 39 ASP- HA 42 LEU HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 522, 566, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 39 ASP- HA 42 LEU QD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 574, 575, 576,
&end
#
# 39 ASP- HA 55 ALA QB 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 772, 773, 774,
&end
#
# 39 ASP- HA 56 LYS+ HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 522, 780, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 39 ASP- HA 57 VAL HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 522, 800, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 39 ASP- HA 57 VAL QG2 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 810, 811, 812,
&end
#
# 39 ASP- HN 39 ASP- QB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 524, 525,
&end
#
# 39 ASP- HN 40 GLN HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 520, 532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 39 ASP- HN 57 VAL QG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 520, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 810, 811, 812,
&end
#
# 39 ASP- QB 40 GLN HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 524, 525,
&end
#
# 39 ASP- HB2 40 GLN HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 524, 532, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 39 ASP- HB3 40 GLN HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 525, 532, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 40 GLN HA 40 GLN QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 539, 540,
&end
#
# 40 GLN HA 43 LEU HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 534, 580, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 40 GLN HA 43 LEU HB2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 534, 584, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 40 GLN HA 43 LEU HB3 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 534, 585, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 40 GLN HA 43 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 593, 594, 595,
&end
#
# 40 GLN HN 40 GLN QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 539, 540,
&end
#
# 40 GLN HN 40 GLN HB2 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 40 GLN HN 41 ASP- HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 40 GLN QG 40 GLN QE2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 539, 540,
igr2= 544, 545,
&end
#
# 40 GLN QG 41 ASP- HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 539, 540,
&end
#
# 40 GLN HB2 41 ASP- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 536, 549, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 41 ASP- HA 44 GLN HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 551, 599, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 41 ASP- HA 44 GLN QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 603, 604,
&end
#
# 41 ASP- HN 41 ASP- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 549, 553, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 41 ASP- HN 41 ASP- HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 549, 554, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 41 ASP- HN 42 LEU HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 549, 561, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 41 ASP- QB 42 LEU HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1= 553, 554,
&end
#
# 41 ASP- HB2 42 LEU HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 553, 561, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 41 ASP- HB3 42 LEU HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 554, 561, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 42 LEU HA 42 LEU HG 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 563, 568, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 42 LEU HA 42 LEU QD1 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 570, 571, 572,
&end
#
# 42 LEU HA 42 LEU QD2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 574, 575, 576,
&end
#
# 42 LEU HA 45 MET HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 563, 616, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 42 LEU HA 45 MET QB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 620, 621,
&end
#
# 42 LEU HA 45 MET QE 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 627, 628, 629,
&end
#
# 42 LEU HA 45 MET HB2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 563, 620, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 42 LEU HA 45 MET HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 563, 621, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 42 LEU HA 46 PHE QD 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 641, 649,
&end
#
# 42 LEU HA 57 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 810, 811, 812,
&end
#
# 42 LEU HG 46 PHE QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 641, 649,
&end
#
# 42 LEU HG 55 ALA QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 772, 773, 774,
&end
#
# 42 LEU HG 57 VAL HA 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 568, 802, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 42 LEU HG 72 VAL QG2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 568, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1054,1055,1056,
&end
#
# 42 LEU HN 42 LEU HG 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 561, 568, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 42 LEU HN 42 LEU HB2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 561, 565, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 42 LEU HN 42 LEU HB3 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 42 LEU HN 42 LEU QD1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 570, 571, 572,
&end
#
# 42 LEU HN 42 LEU QD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 574, 575, 576,
&end
#
# 42 LEU HN 43 LEU HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 561, 580, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 42 LEU HN 57 VAL QG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 810, 811, 812,
&end
#
# 42 LEU HB2 42 LEU QD1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 570, 571, 572,
&end
#
# 42 LEU HB2 42 LEU QD2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 574, 575, 576,
&end
#
# 42 LEU HB2 43 LEU HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 42 LEU HB2 55 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 772, 773, 774,
&end
#
# 42 LEU HB2 57 VAL QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 810, 811, 812,
&end
#
# 42 LEU HB3 42 LEU QD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 570, 571, 572,
&end
#
# 42 LEU HB3 42 LEU QD2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 574, 575, 576,
&end
#
# 42 LEU HB3 43 LEU HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 566, 580, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 42 LEU HB3 55 ALA QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 772, 773, 774,
&end
#
# 42 LEU HB3 57 VAL QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 810, 811, 812,
&end
#
# 42 LEU QD1 45 MET HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 570, 571, 572,
&end
#
# 42 LEU QD1 45 MET HB2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 620, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 570, 571, 572,
&end
#
# 42 LEU QD1 45 MET HB3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 570, 571, 572,
&end
#
# 42 LEU QD1 46 PHE QD 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 570, 571, 572,
igr2= 641, 649,
&end
#
# 42 LEU QD1 46 PHE QE 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 570, 571, 572,
igr2= 643, 647,
&end
#
# 42 LEU QD1 72 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 570, 571, 572,
igr2=1054,1055,1056,
&end
#
# 42 LEU QD2 43 LEU HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 55 ALA HA 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 55 ALA QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 574, 575, 576,
igr2= 772, 773, 774,
&end
#
# 42 LEU QD2 56 LYS+ HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 56 LYS+ HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 57 VAL HA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 57 VAL QG2 1.80 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 574, 575, 576,
igr2= 810, 811, 812,
&end
#
# 42 LEU QD2 70 GLY QA 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 574, 575, 576,
igr2=1019,1020,
&end
#
# 42 LEU QD2 70 GLY HA2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 70 GLY HA3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 71 PHE HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 574, 575, 576,
&end
#
# 42 LEU QD2 72 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 574, 575, 576,
igr2=1054,1055,1056,
&end
#
# 43 LEU HA 43 LEU HG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 582, 587, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 43 LEU HA 43 LEU QD1 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 589, 590, 591,
&end
#
# 43 LEU HA 43 LEU QD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 593, 594, 595,
&end
#
# 43 LEU HA 45 MET HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 582, 616, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 43 LEU HA 46 PHE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 582, 633, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 43 LEU HA 46 PHE QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 637, 638,
&end
#
# 43 LEU HA 47 MET HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 582, 653, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 43 LEU HA 47 MET QG 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 660, 661,
&end
#
# 43 LEU HA 52 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 731, 732, 733,
&end
#
# 43 LEU HA 52 VAL QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 735, 736, 737,
&end
#
# 43 LEU HA 55 ALA QB 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 772, 773, 774,
&end
#
# 43 LEU HA 72 VAL QG1 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2=1050,1051,1052,
&end
#
# 43 LEU HA 72 VAL QG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1054,1055,1056,
&end
#
# 43 LEU HG 44 GLN HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 587, 601, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 43 LEU HG 44 GLN HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 587, 599, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 43 LEU HG 47 MET QE 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 664, 665, 666,
&end
#
# 43 LEU HG 47 MET QG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 587, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 660, 661,
&end
#
# 43 LEU HN 43 LEU HG 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 580, 587, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 LEU HN 43 LEU HB2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 580, 584, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 43 LEU HN 43 LEU HB3 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 580, 585, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 43 LEU HN 43 LEU QD1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 589, 590, 591,
&end
#
# 43 LEU HN 43 LEU QD2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 593, 594, 595,
&end
#
# 43 LEU HN 44 GLN HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 580, 599, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 43 LEU HN 55 ALA QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 772, 773, 774,
&end
#
# 43 LEU HB2 43 LEU QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 589, 590, 591,
&end
#
# 43 LEU HB2 43 LEU QD2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 593, 594, 595,
&end
#
# 43 LEU HB2 44 GLN HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 584, 599, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 43 LEU HB2 55 ALA QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 772, 773, 774,
&end
#
# 43 LEU HB3 43 LEU QD1 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 589, 590, 591,
&end
#
# 43 LEU HB3 43 LEU QD2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 593, 594, 595,
&end
#
# 43 LEU HB3 44 GLN HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 585, 599, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 43 LEU HB3 55 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 585, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 772, 773, 774,
&end
#
# 43 LEU QD1 47 MET HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 589, 590, 591,
&end
#
# 43 LEU QD1 47 MET QE 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 589, 590, 591,
igr2= 664, 665, 666,
&end
#
# 43 LEU QD1 47 MET QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 589, 590, 591,
igr2= 660, 661,
&end
#
# 43 LEU QD1 52 VAL HB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 589, 590, 591,
&end
#
# 43 LEU QD2 44 GLN HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 593, 594, 595,
&end
#
# 43 LEU QD2 44 GLN QB 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 593, 594, 595,
igr2= 603, 604,
&end
#
# 43 LEU QD2 47 MET QE 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 593, 594, 595,
igr2= 664, 665, 666,
&end
#
# 44 GLN HA 44 GLN QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 603, 604,
&end
#
# 44 GLN HA 44 GLN HG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 601, 606, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 44 GLN HA 44 GLN HG3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 601, 607, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 44 GLN HA 46 PHE HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 601, 633, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 44 GLN HA 47 MET HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 601, 653, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 44 GLN HA 47 MET QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 664, 665, 666,
&end
#
# 44 GLN HA 47 MET QG 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 601, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 660, 661,
&end
#
# 44 GLN HA 47 MET HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 601, 657, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 44 GLN HN 44 GLN QB 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 603, 604,
&end
#
# 44 GLN HN 44 GLN QG 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 606, 607,
&end
#
# 44 GLN HN 44 GLN HG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 599, 606, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 44 GLN HN 44 GLN HG3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 599, 607, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 44 GLN HN 45 MET HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 599, 616, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 44 GLN QB 45 MET HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 616, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 603, 604,
&end
#
# 44 GLN QE2 47 MET QE 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 611, 612,
igr2= 664, 665, 666,
&end
#
# 44 GLN HE21 47 MET QE 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 664, 665, 666,
&end
#
# 44 GLN HE22 47 MET QE 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 664, 665, 666,
&end
#
# 45 MET HA 45 MET QG 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 623, 624,
&end
#
# 45 MET HA 45 MET HG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 618, 623, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 45 MET HA 45 MET HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 618, 624, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 45 MET HA 47 MET HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 618, 653, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 45 MET HA 87 MET QE 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1264,1265,1266,
&end
#
# 45 MET HN 45 MET QG 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 623, 624,
&end
#
# 45 MET HN 45 MET HB2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 616, 620, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 45 MET HN 45 MET HB3 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 616, 621, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 45 MET QB 45 MET QE 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 620, 621,
igr2= 627, 628, 629,
&end
#
# 45 MET QB 46 PHE HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 620, 621,
&end
#
# 45 MET QB 46 PHE QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 620, 621,
igr2= 641, 649,
&end
#
# 45 MET QE 46 PHE QE 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 627, 628, 629,
igr2= 643, 647,
&end
#
# 45 MET QE 87 MET QE 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1= 627, 628, 629,
igr2=1264,1265,1266,
&end
#
# 45 MET QE 90 PHE HZ 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 627, 628, 629,
&end
#
# 45 MET QE 90 PHE QD 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 627, 628, 629,
igr2=1299,1307,
&end
#
# 45 MET QE 90 PHE QE 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 627, 628, 629,
igr2=1301,1305,
&end
#
# 45 MET QE 92 ILE QD1 1.80 2.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 627, 628, 629,
igr2=1341,1342,1343,
&end
#
# 45 MET QE 97 LEU QD1 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 627, 628, 629,
igr2=1426,1427,1428,
&end
#
# 45 MET QE 97 LEU QD2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 627, 628, 629,
igr2=1430,1431,1432,
&end
#
# 45 MET QG 46 PHE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 633, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 623, 624,
&end
#
# 45 MET QG 46 PHE QE 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 623, 624,
igr2= 643, 647,
&end
#
# 45 MET QG 87 MET QE 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 623, 624,
igr2=1264,1265,1266,
&end
#
# 45 MET QG 97 LEU QD1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 623, 624,
igr2=1426,1427,1428,
&end
#
# 45 MET HB2 46 PHE HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 620, 633, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 45 MET HB2 46 PHE QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 641, 649,
&end
#
# 45 MET HB3 46 PHE HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 621, 633, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 45 MET HB3 46 PHE QD 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 641, 649,
&end
#
# 45 MET HG2 46 PHE QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 641, 649,
&end
#
# 45 MET HG2 87 MET QE 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1264,1265,1266,
&end
#
# 45 MET HG3 46 PHE QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 641, 649,
&end
#
# 45 MET HG3 87 MET QE 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 624, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1264,1265,1266,
&end
#
# 46 PHE HA 46 PHE QD 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 641, 649,
&end
#
# 46 PHE HA 48 PROU HD2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 635, 671, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 PHE HA 49 PHE QD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 635, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 692, 700,
&end
#
# 46 PHE HN 46 PHE QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 637, 638,
&end
#
# 46 PHE HN 46 PHE QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 641, 649,
&end
#
# 46 PHE HN 46 PHE HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 633, 637, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 PHE HN 46 PHE HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 633, 638, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 PHE HN 47 MET HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 633, 653, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 46 PHE HN 47 MET QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 660, 661,
&end
#
# 46 PHE HN 47 MET HB2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 633, 657, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 46 PHE HN 48 PROU HD2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 633, 671, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 46 PHE HN 48 PROU HD3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 633, 672, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 46 PHE HN 52 VAL QG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 735, 736, 737,
&end
#
# 46 PHE HN 72 VAL QG1 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1050,1051,1052,
&end
#
# 46 PHE HZ 87 MET HG3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 645,1261, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 46 PHE HZ 97 LEU QD1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1426,1427,1428,
&end
#
# 46 PHE HZ 99 VAL QG1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1464,1465,1466,
&end
#
# 46 PHE HZ 99 VAL QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1468,1469,1470,
&end
#
# 46 PHE QB 47 MET HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 637, 638,
&end
#
# 46 PHE QB 49 PHE QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 637, 638,
igr2= 692, 700,
&end
#
# 46 PHE QB 52 VAL QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 637, 638,
igr2= 735, 736, 737,
&end
#
# 46 PHE QB 72 VAL QG1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 637, 638,
igr2=1050,1051,1052,
&end
#
# 46 PHE QB 72 VAL QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 637, 638,
igr2=1054,1055,1056,
&end
#
# 46 PHE QB 74 TYR HH 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 637, 638,
&end
#
# 46 PHE QB 74 TYR QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 637, 638,
igr2=1081,1086,
&end
#
# 46 PHE QD 49 PHE HB2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 641, 649,
&end
#
# 46 PHE QD 52 VAL QG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 641, 649,
igr2= 735, 736, 737,
&end
#
# 46 PHE QD 72 VAL QG1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 641, 649,
igr2=1050,1051,1052,
&end
#
# 46 PHE QD 72 VAL QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 641, 649,
igr2=1054,1055,1056,
&end
#
# 46 PHE QD 74 TYR HH 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 641, 649,
&end
#
# 46 PHE QD 74 TYR QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 641, 649,
igr2=1081,1086,
&end
#
# 46 PHE QD 83 ALA QB 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 641, 649,
igr2=1200,1201,1202,
&end
#
# 46 PHE QD 87 MET HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 641, 649,
&end
#
# 46 PHE QE 72 VAL QG1 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr1= 643, 647,
igr2=1050,1051,1052,
&end
#
# 46 PHE QE 72 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 643, 647,
igr2=1054,1055,1056,
&end
#
# 46 PHE QE 83 ALA QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 643, 647,
igr2=1200,1201,1202,
&end
#
# 46 PHE QE 87 MET QE 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 643, 647,
igr2=1264,1265,1266,
&end
#
# 46 PHE QE 87 MET HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 643, 647,
&end
#
# 46 PHE QE 87 MET HG3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 643, 647,
&end
#
# 46 PHE QE 97 LEU QD1 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 643, 647,
igr2=1426,1427,1428,
&end
#
# 46 PHE QE 99 VAL QG1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 643, 647,
igr2=1464,1465,1466,
&end
#
# 46 PHE QE 99 VAL QG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 643, 647,
igr2=1468,1469,1470,
&end
#
# 46 PHE HB2 52 VAL QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 735, 736, 737,
&end
#
# 46 PHE HB2 72 VAL QG1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1050,1051,1052,
&end
#
# 46 PHE HB2 74 TYR HH 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 637,1084, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 PHE HB2 74 TYR QE 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1081,1086,
&end
#
# 46 PHE HB3 52 VAL QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 735, 736, 737,
&end
#
# 46 PHE HB3 72 VAL QG1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1050,1051,1052,
&end
#
# 46 PHE HB3 74 TYR HH 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 638,1084, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 46 PHE HB3 74 TYR QE 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 638, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1081,1086,
&end
#
# 47 MET HA 47 MET QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 664, 665, 666,
&end
#
# 47 MET HA 47 MET QG 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 660, 661,
&end
#
# 47 MET HA 49 PHE HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 655, 684, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 47 MET HA 52 VAL HB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 655, 729, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 47 MET HA 52 VAL QG2 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 735, 736, 737,
&end
#
# 47 MET HN 47 MET QE 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 664, 665, 666,
&end
#
# 47 MET HN 47 MET QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 660, 661,
&end
#
# 47 MET HN 47 MET HB2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 653, 657, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 47 MET HN 47 MET HB3 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 653, 658, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 47 MET HN 48 PROU HD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 653, 671, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 47 MET HN 48 PROU HD3 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 653, 672, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 47 MET HN 52 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 735, 736, 737,
&end
#
# 47 MET QG 47 MET QE 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 660, 661,
igr2= 664, 665, 666,
&end
#
# 47 MET QG 48 PROU HD3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 660, 661,
&end
#
# 47 MET QG 52 VAL HB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 660, 661,
&end
#
# 47 MET QG 52 VAL HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 660, 661,
&end
#
# 47 MET QG 52 VAL QG1 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 660, 661,
igr2= 731, 732, 733,
&end
#
# 47 MET QG 52 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 660, 661,
igr2= 735, 736, 737,
&end
#
# 47 MET HB2 48 PROU HD2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 657, 671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 47 MET HB2 48 PROU HD3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 47 MET HB3 48 PROU HD2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 658, 671, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 47 MET HB3 48 PROU HD3 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 658, 672, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 48 PROU HA 50 GLY HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 680, 704, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 48 PROU QB 49 PHE HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 684, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 677, 678,
&end
#
# 48 PROU QB 49 PHE QD 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 677, 678,
igr2= 692, 700,
&end
#
# 48 PROU QB 49 PHE QE 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 677, 678,
igr2= 694, 698,
&end
#
# 48 PROU HB2 49 PHE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 PROU HB3 49 PHE HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 678, 684, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 PROU HD2 49 PHE HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 671, 684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 PROU HD2 49 PHE QD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 692, 700,
&end
#
# 48 PROU HD3 49 PHE HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 672, 684, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 49 PHE HA 49 PHE QD 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 692, 700,
&end
#
# 49 PHE HA 82 ALA QB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 686, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1190,1191,1192,
&end
#
# 49 PHE HN 49 PHE QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 692, 700,
&end
#
# 49 PHE HN 49 PHE HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 684, 688, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 49 PHE HN 49 PHE HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 684, 689, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 49 PHE HN 50 GLY HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 684, 704, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 49 PHE HN 74 TYR HH 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 684,1084, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 49 PHE HZ 83 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 696,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 PHE HZ 83 ALA QB 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2=1200,1201,1202,
&end
#
# 49 PHE HZ 86 SER HB2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 696,1246, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 49 PHE HZ 86 SER HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 696,1247, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 49 PHE HZ 87 MET QE 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1264,1265,1266,
&end
#
# 49 PHE HZ 87 MET HG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 696,1260, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 49 PHE HZ 87 MET HG3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 696,1261, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 49 PHE QD 50 GLY HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 704, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 692, 700,
&end
#
# 49 PHE QD 74 TYR HH 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 692, 700,
&end
#
# 49 PHE QD 82 ALA QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 692, 700,
igr2=1190,1191,1192,
&end
#
# 49 PHE QD 83 ALA HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 692, 700,
&end
#
# 49 PHE QD 83 ALA QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 692, 700,
igr2=1200,1201,1202,
&end
#
# 49 PHE QD 87 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 692, 700,
&end
#
# 49 PHE QE 83 ALA HA 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1198, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 694, 698,
&end
#
# 49 PHE QE 86 SER HB2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 694, 698,
&end
#
# 49 PHE QE 86 SER HB3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1247, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 694, 698,
&end
#
# 49 PHE QE 87 MET HG2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 694, 698,
&end
#
# 49 PHE QE 87 MET HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1261, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 694, 698,
&end
#
# 49 PHE HB2 50 GLY HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 688, 704, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 49 PHE HB2 50 GLY QA 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 706, 707,
&end
#
# 49 PHE HB2 74 TYR HH 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 688,1084, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 49 PHE HB2 74 TYR QE 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1081,1086,
&end
#
# 49 PHE HB2 82 ALA QB 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1190,1191,1192,
&end
#
# 49 PHE HB2 83 ALA QB 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1200,1201,1202,
&end
#
# 49 PHE HB3 50 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 689, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 49 PHE HB3 74 TYR HH 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 689,1084, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 49 PHE HB3 74 TYR QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1081,1086,
&end
#
# 49 PHE HB3 82 ALA QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1190,1191,1192,
&end
#
# 49 PHE HB3 83 ALA HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 689,1196, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 49 PHE HB3 83 ALA QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1200,1201,1202,
&end
#
# 50 GLY HN 52 VAL QG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 735, 736, 737,
&end
#
# 50 GLY HN 74 TYR HH 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 704,1084, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 50 GLY HN 74 TYR QE 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 704, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2=1081,1086,
&end
#
# 50 GLY QA 74 TYR QD 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 706, 707,
igr2=1079,1088,
&end
#
# 50 GLY QA 74 TYR QE 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 706, 707,
igr2=1081,1086,
&end
#
# 50 GLY QA 79 SER QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 706, 707,
igr2=1152,1153,
&end
#
# 50 GLY HA2 51 ASN HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 50 GLY HA2 74 TYR QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 706, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1079,1088,
&end
#
# 50 GLY HA3 51 ASN HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 707, 711, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 50 GLY HA3 74 TYR QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1079,1088,
&end
#
# 51 ASN HA 52 VAL HB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 713, 729, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 51 ASN HA 52 VAL HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 51 ASN HA 52 VAL QG2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 735, 736, 737,
&end
#
# 51 ASN HN 51 ASN QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 715, 716,
&end
#
# 51 ASN HN 51 ASN QD2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 720, 721,
&end
#
# 51 ASN HN 74 TYR QD 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1079,1088,
&end
#
# 51 ASN HN 74 TYR QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1081,1086,
&end
#
# 51 ASN QB 51 ASN QD2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 715, 716,
igr2= 720, 721,
&end
#
# 51 ASN QB 51 ASN HD21 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 715, 716,
&end
#
# 51 ASN QB 51 ASN HD22 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 721, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 715, 716,
&end
#
# 51 ASN QB 52 VAL HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 715, 716,
&end
#
# 51 ASN QB 53 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 715, 716,
igr2= 751, 752, 753,
&end
#
# 51 ASN QB 75 ASP- QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 715, 716,
igr2=1096,1097,
&end
#
# 52 VAL HA 52 VAL QG1 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 731, 732, 733,
&end
#
# 52 VAL HA 52 VAL QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 735, 736, 737,
&end
#
# 52 VAL HA 53 VAL HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 727, 741, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 52 VAL HA 53 VAL HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 727, 741, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 52 VAL HA 54 SER HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 727, 757, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 52 VAL HA 72 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1050,1051,1052,
&end
#
# 52 VAL HA 74 TYR HA 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 727,1073, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 52 VAL HA 74 TYR QD 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1079,1088,
&end
#
# 52 VAL HN 52 VAL HB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 52 VAL HN 52 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 731, 732, 733,
&end
#
# 52 VAL HN 52 VAL QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 735, 736, 737,
&end
#
# 52 VAL HN 74 TYR QE 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1081,1086,
&end
#
# 52 VAL QG1 53 VAL HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 743, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 53 VAL HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 54 SER HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 55 ALA HA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 55 ALA HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 55 ALA QB 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 731, 732, 733,
igr2= 772, 773, 774,
&end
#
# 52 VAL QG1 72 VAL HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 72 VAL QG1 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 731, 732, 733,
igr2=1050,1051,1052,
&end
#
# 52 VAL QG1 73 SER HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG1 74 TYR HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 731, 732, 733,
&end
#
# 52 VAL QG2 53 VAL HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 735, 736, 737,
&end
#
# 52 VAL QG2 72 VAL QG1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 735, 736, 737,
igr2=1050,1051,1052,
&end
#
# 52 VAL QG2 73 SER HN 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 735, 736, 737,
&end
#
# 52 VAL QG2 74 TYR HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 735, 736, 737,
&end
#
# 52 VAL QG2 74 TYR HH 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 735, 736, 737,
&end
#
# 52 VAL QG2 74 TYR QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 735, 736, 737,
igr2=1079,1088,
&end
#
# 52 VAL QG2 74 TYR QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 735, 736, 737,
igr2=1081,1086,
&end
#
# 53 VAL HA 53 VAL QG1 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 747, 748, 749,
&end
#
# 53 VAL HA 53 VAL QG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 751, 752, 753,
&end
#
# 53 VAL HB 54 SER HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 745, 757, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 53 VAL HB 73 SER QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1064,1065,
&end
#
# 53 VAL HB 74 TYR HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 745,1073, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 53 VAL HN 53 VAL HB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 53 VAL HN 53 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 751, 752, 753,
&end
#
# 53 VAL HN 54 SER HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 741, 757, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 53 VAL HN 73 SER HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 741,1060, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 53 VAL HN 74 TYR HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 741,1073, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 53 VAL HN 75 ASP- HN 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat= 741,1092, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 53 VAL QG1 54 SER HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 747, 748, 749,
&end
#
# 53 VAL QG1 54 SER HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 761, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 747, 748, 749,
&end
#
# 53 VAL QG1 54 SER HB3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 747, 748, 749,
&end
#
# 53 VAL QG1 73 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 747, 748, 749,
&end
#
# 53 VAL QG1 73 SER QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 747, 748, 749,
igr2=1064,1065,
&end
#
# 53 VAL QG2 54 SER HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 757, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 73 SER QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 751, 752, 753,
igr2=1064,1065,
&end
#
# 53 VAL QG2 74 TYR HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1073, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1094, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 751, 752, 753,
igr2=1096,1097,
&end
#
# 53 VAL QG2 75 ASP- HB2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1096, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 751, 752, 753,
&end
#
# 53 VAL QG2 75 ASP- HB3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 751, 752, 753,
&end
#
# 54 SER HA 55 ALA HN 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 759, 768, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 54 SER HN 54 SER QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 761, 762,
&end
#
# 54 SER HN 73 SER HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 757,1060, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 54 SER HN 73 SER QB 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1064,1065,
&end
#
# 54 SER HN 73 SER HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 757,1064, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 54 SER HN 73 SER HB3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 757,1065, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 54 SER HN 74 TYR HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 757,1073, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 54 SER QB 55 ALA HA 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 761, 762,
&end
#
# 54 SER QB 55 ALA HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 761, 762,
&end
#
# 54 SER QB 71 PHE QE 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 761, 762,
igr2=1034,1038,
&end
#
# 54 SER QB 73 SER HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 761, 762,
&end
#
# 54 SER HB2 55 ALA HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 761, 768, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 54 SER HB2 71 PHE QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1032,1040,
&end
#
# 54 SER HB2 71 PHE QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1034,1038,
&end
#
# 54 SER HB3 55 ALA HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 762, 768, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 54 SER HB3 71 PHE QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1032,1040,
&end
#
# 54 SER HB3 71 PHE QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1034,1038,
&end
#
# 55 ALA HA 56 LYS+ HN 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 770, 778, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 55 ALA HA 72 VAL HA 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 770,1046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ALA HA 72 VAL QG1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1050,1051,1052,
&end
#
# 55 ALA HA 72 VAL QG2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1054,1055,1056,
&end
#
# 55 ALA HA 73 SER HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 770,1060, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 55 ALA HN 55 ALA QB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 772, 773, 774,
&end
#
# 55 ALA QB 56 LYS+ HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 772, 773, 774,
&end
#
# 55 ALA QB 72 VAL HA 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 772, 773, 774,
&end
#
# 55 ALA QB 72 VAL QG1 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 772, 773, 774,
igr2=1050,1051,1052,
&end
#
# 55 ALA QB 72 VAL QG2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 772, 773, 774,
igr2=1054,1055,1056,
&end
#
# 55 ALA QB 73 SER HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 772, 773, 774,
&end
#
# 56 LYS HN 71 PHE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 778,1024, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 56 LYS+ HA 56 LYS+ QD 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 788, 789,
&end
#
# 56 LYS+ HA 56 LYS+ QE 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 791, 792,
&end
#
# 56 LYS+ HA 56 LYS+ HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 780, 785, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 56 LYS+ HA 56 LYS+ HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 780, 786, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 56 LYS+ HA 57 VAL HB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 780, 804, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 56 LYS+ HA 57 VAL HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 780, 800, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 56 LYS+ HA 57 VAL QG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 810, 811, 812,
&end
#
# 56 LYS+ HN 56 LYS+ HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 778, 782, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 56 LYS+ HN 56 LYS+ HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 778, 783, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 56 LYS+ HN 71 PHE QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1032,1040,
&end
#
# 56 LYS+ HN 71 PHE HB3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 778,1029, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 56 LYS+ HN 72 VAL HA 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 778,1046, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 56 LYS+ HN 72 VAL QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1054,1055,1056,
&end
#
# 56 LYS+ QD 57 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 800, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 788, 789,
&end
#
# 56 LYS+ QD 58 PHE QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 788, 789,
igr2= 826, 830,
&end
#
# 56 LYS+ QE 58 PHE HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 791, 792,
&end
#
# 56 LYS+ QE 58 PHE QD 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 791, 792,
igr2= 824, 832,
&end
#
# 56 LYS+ QE 58 PHE QE 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 791, 792,
igr2= 826, 830,
&end
#
# 56 LYS+ QG 56 LYS+ QE 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1= 785, 786,
igr2= 791, 792,
&end
#
# 56 LYS+ QG 58 PHE HA 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 785, 786,
&end
#
# 56 LYS+ QG 58 PHE QD 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 785, 786,
igr2= 824, 832,
&end
#
# 56 LYS+ HB3 57 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 783, 800, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 56 LYS+ HB3 58 PHE QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 826, 830,
&end
#
# 56 LYS+ HB3 71 PHE HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 783,1024, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 56 LYS+ HB3 71 PHE QD 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 783, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1032,1040,
&end
#
# 56 LYS+ HB3 71 PHE HB2 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 783,1028, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 56 LYS+ HB3 71 PHE HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 783,1029, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 56 LYS+ HG2 56 LYS+ QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 791, 792,
&end
#
# 56 LYS+ HG2 57 VAL HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 56 LYS+ HG2 58 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 826, 830,
&end
#
# 56 LYS+ HG3 56 LYS+ QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 791, 792,
&end
#
# 56 LYS+ HG3 57 VAL HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 786, 800, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 56 LYS+ HG3 58 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 826, 830,
&end
#
# 57 VAL HA 57 VAL QG1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 806, 807, 808,
&end
#
# 57 VAL HA 57 VAL QG2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 810, 811, 812,
&end
#
# 57 VAL HA 58 PHE HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 802, 816, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 57 VAL HA 58 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 824, 832,
&end
#
# 57 VAL HA 70 GLY HA2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 802,1019, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 57 VAL HA 70 GLY HA3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 802,1020, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 57 VAL HA 71 PHE HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 802,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL HB 58 PHE HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 804, 816, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 57 VAL HN 57 VAL HB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 57 VAL HN 57 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 806, 807, 808,
&end
#
# 57 VAL HN 57 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 800, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 810, 811, 812,
&end
#
# 57 VAL QG1 58 PHE HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 66 SER HA 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 66 SER QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 806, 807, 808,
igr2= 957, 958,
&end
#
# 57 VAL QG1 66 SER HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 66 SER HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 67 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 67 LYS+ HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 69 PHE HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 999, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 69 PHE HN 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 70 GLY HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 806, 807, 808,
&end
#
# 57 VAL QG1 70 GLY QA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 806, 807, 808,
igr2=1019,1020,
&end
#
# 57 VAL QG2 58 PHE HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 816, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 810, 811, 812,
&end
#
# 57 VAL QG2 58 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 810, 811, 812,
igr2= 824, 832,
&end
#
# 57 VAL QG2 66 SER HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 810, 811, 812,
&end
#
# 57 VAL QG2 66 SER HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 958, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 810, 811, 812,
&end
#
# 57 VAL QG2 70 GLY QA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 810, 811, 812,
igr2=1019,1020,
&end
#
# 57 VAL QG2 71 PHE HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 810, 811, 812,
&end
#
# 58 PHE HA 58 PHE QD 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 824, 832,
&end
#
# 58 PHE HA 59 ILE HB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 818, 840, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 58 PHE HA 59 ILE HN 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 818, 836, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 58 PHE HA 59 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 849, 850, 851,
&end
#
# 58 PHE HA 59 ILE QG1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 818, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 846, 847,
&end
#
# 58 PHE HN 58 PHE QD 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 824, 832,
&end
#
# 58 PHE HN 58 PHE HB2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 58 PHE HN 58 PHE HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 58 PHE HN 70 GLY HA2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 816,1019, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 58 PHE HN 70 GLY HA3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 816,1020, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 58 PHE HZ 71 PHE HB2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 828,1028, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 58 PHE HZ 71 PHE HB3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 828,1029, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 58 PHE QD 59 ILE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 824, 832,
&end
#
# 58 PHE QD 67 LYS+ QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 824, 832,
igr2= 974, 975,
&end
#
# 58 PHE QD 70 GLY QA 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 824, 832,
igr2=1019,1020,
&end
#
# 58 PHE QD 70 GLY HA2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1019, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 824, 832,
&end
#
# 58 PHE QD 70 GLY HA3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1020, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 824, 832,
&end
#
# 58 PHE QE 71 PHE HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1024, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 826, 830,
&end
#
# 58 PHE QE 71 PHE HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 826, 830,
&end
#
# 58 PHE QE 71 PHE HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1029, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 826, 830,
&end
#
# 58 PHE HB2 59 ILE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 820, 836, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 58 PHE HB2 67 LYS+ QB 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 968, 969,
&end
#
# 58 PHE HB2 67 LYS+ QD 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 974, 975,
&end
#
# 58 PHE HB2 69 PHE HZ 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 820,1009, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 58 PHE HB2 69 PHE QD 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1005,1013,
&end
#
# 58 PHE HB2 69 PHE QE 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 820, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1007,1011,
&end
#
# 58 PHE HB3 59 ILE HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 821, 836, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 58 PHE HB3 67 LYS+ QD 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 974, 975,
&end
#
# 58 PHE HB3 69 PHE QE 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1007,1011,
&end
#
# 59 ILE HA 59 ILE QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 849, 850, 851,
&end
#
# 59 ILE HA 59 ILE QG2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 842, 843, 844,
&end
#
# 59 ILE HA 60 ASP- HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 838, 855, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 59 ILE HA 67 LYS+ QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 971, 972,
&end
#
# 59 ILE HB 59 ILE QD1 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 849, 850, 851,
&end
#
# 59 ILE HB 60 ASP- HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 840, 855, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 59 ILE HB 64 ASN HA 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 840, 922, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 59 ILE HN 59 ILE HB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 836, 840, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 59 ILE HN 59 ILE QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 849, 850, 851,
&end
#
# 59 ILE HN 59 ILE QG1 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 846, 847,
&end
#
# 59 ILE HN 59 ILE QG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 842, 843, 844,
&end
#
# 59 ILE QD1 64 ASN HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 849, 850, 851,
&end
#
# 59 ILE QD1 66 SER HA 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 849, 850, 851,
&end
#
# 59 ILE QD1 66 SER HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 849, 850, 851,
&end
#
# 59 ILE QD1 66 SER QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 849, 850, 851,
igr2= 957, 958,
&end
#
# 59 ILE QD1 67 LYS+ HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr1= 849, 850, 851,
&end
#
# 59 ILE QG1 66 SER HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 955, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 846, 847,
&end
#
# 59 ILE QG2 59 ILE QG1 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 842, 843, 844,
igr2= 846, 847,
&end
#
# 59 ILE QG2 60 ASP- HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 61 LYS+ HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN HA 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN QB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 842, 843, 844,
igr2= 924, 925,
&end
#
# 59 ILE QG2 64 ASN HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 924, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 64 ASN HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 65 LEU HA 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 936, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 65 LEU HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 66 SER HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 842, 843, 844,
&end
#
# 59 ILE QG2 67 LYS+ HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 964, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 842, 843, 844,
&end
#
# 60 ASP- HA 61 LYS+ HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 857, 867, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 60 ASP- HA 61 LYS+ QB 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 871, 872,
&end
#
# 60 ASP- HA 67 LYS+ QE 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 977, 978,
&end
#
# 60 ASP- HN 60 ASP- HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 855, 859, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 60 ASP- HN 60 ASP- HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 855, 860, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 60 ASP- HN 65 LEU HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 855, 934, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 60 ASP- HN 67 LYS+ HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 855, 964, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 60 ASP- HN 67 LYS+ QG 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 971, 972,
&end
#
# 60 ASP- QB 63 THR HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 859, 860,
&end
#
# 60 ASP- QB 64 ASN HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 859, 860,
&end
#
# 60 ASP- QB 65 LEU HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 859, 860,
&end
#
# 60 ASP- QB 65 LEU HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 938, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 859, 860,
&end
#
# 60 ASP- QB 67 LYS+ QD 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 859, 860,
igr2= 974, 975,
&end
#
# 60 ASP- QB 67 LYS+ QE 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 859, 860,
igr2= 977, 978,
&end
#
# 60 ASP- QB 67 LYS+ QG 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 859, 860,
igr2= 971, 972,
&end
#
# 60 ASP- HB2 63 THR HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 859, 906, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 60 ASP- HB2 65 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 859, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP- HB2 67 LYS+ QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 977, 978,
&end
#
# 60 ASP- HB2 67 LYS+ QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 971, 972,
&end
#
# 60 ASP- HB3 63 THR HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 860, 906, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 60 ASP- HB3 65 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 860, 938, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASP- HB3 67 LYS+ QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 977, 978,
&end
#
# 60 ASP- HB3 67 LYS+ QG 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 971, 972,
&end
#
# 61 LYS+ HA 61 LYS+ QD 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 877, 878,
&end
#
# 61 LYS+ HA 61 LYS+ QE 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 880, 881,
&end
#
# 61 LYS+ HA 61 LYS+ QG 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 874, 875,
&end
#
# 61 LYS+ HA 63 THR HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 869, 906, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 61 LYS+ HA 64 ASN HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 869, 920, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 61 LYS+ HN 61 LYS+ QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 871, 872,
&end
#
# 61 LYS+ HN 61 LYS+ QD 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 877, 878,
&end
#
# 61 LYS+ HN 61 LYS+ QG 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 874, 875,
&end
#
# 61 LYS+ HN 62 GLN HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 867, 889, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 61 LYS+ QB 62 GLN HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 891, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 871, 872,
&end
#
# 61 LYS+ QB 62 GLN HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 871, 872,
&end
#
# 61 LYS+ QG 61 LYS+ QE 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 874, 875,
igr2= 880, 881,
&end
#
# 62 GLN HN 63 THR HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 889, 906, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 62 GLN HN 63 THR QG2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 912, 913, 914,
&end
#
# 62 GLN QB 63 THR HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 893, 894,
&end
#
# 62 GLN QB 63 THR QG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 893, 894,
igr2= 912, 913, 914,
&end
#
# 62 GLN QG 63 THR HN 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1, 906, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 896, 897,
&end
#
# 63 THR HA 63 THR QG2 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 912, 913, 914,
&end
#
# 63 THR HA 65 LEU QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 908, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 943, 944, 945,
&end
#
# 63 THR HB 65 LEU HG 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 910, 941, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 63 THR HB 65 LEU HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 910, 934, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 63 THR HB 65 LEU HB2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 910, 938, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 63 THR HB 65 LEU HB3 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 910, 939, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 63 THR HB 65 LEU QD1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 943, 944, 945,
&end
#
# 63 THR HB 65 LEU QD2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 910, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 947, 948, 949,
&end
#
# 63 THR HN 63 THR HG1 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 63 THR HN 63 THR QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 906, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 912, 913, 914,
&end
#
# 63 THR HN 64 ASN HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 906, 922, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 63 THR HN 64 ASN HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 906, 920, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 63 THR HG1 65 LEU HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 916, 934, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 63 THR QG2 64 ASN HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 912, 913, 914,
&end
#
# 63 THR QG2 65 LEU HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 934, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 912, 913, 914,
&end
#
# 64 ASN HA 64 ASN QD2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 929, 930,
&end
#
# 64 ASN HA 65 LEU HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 922, 934, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 64 ASN HN 64 ASN HA 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat= 920, 922, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 64 ASN HN 64 ASN QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 924, 925,
&end
#
# 64 ASN HN 64 ASN HB2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 920, 924, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 64 ASN HN 64 ASN HB3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 920, 925, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 64 ASN HN 65 LEU HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 920, 934, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 64 ASN HN 65 LEU HB2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 920, 938, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 64 ASN QB 64 ASN QD2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 924, 925,
igr2= 929, 930,
&end
#
# 64 ASN HB2 65 LEU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 924, 934, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 64 ASN HB3 65 LEU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 925, 934, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 65 LEU HA 65 LEU HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 936, 941, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 65 LEU HA 65 LEU QD2 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 936, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 947, 948, 949,
&end
#
# 65 LEU HA 66 SER HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 936, 953, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 65 LEU HG 66 SER HN 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 941, 953, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 65 LEU HN 65 LEU HG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 65 LEU HN 65 LEU HB2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 934, 938, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 65 LEU HN 65 LEU HB3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 934, 939, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 65 LEU HN 65 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 943, 944, 945,
&end
#
# 65 LEU HN 65 LEU QD2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 947, 948, 949,
&end
#
# 65 LEU HB2 65 LEU QD1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 938, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 943, 944, 945,
&end
#
# 65 LEU HB2 66 SER HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 938, 953, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 65 LEU HB3 65 LEU QD1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 943, 944, 945,
&end
#
# 65 LEU HB3 65 LEU QD2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 947, 948, 949,
&end
#
# 65 LEU HB3 66 SER HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 939, 953, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 65 LEU QD2 66 SER HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 947, 948, 949,
&end
#
# 66 SER HA 67 LYS+ HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 955, 964, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 66 SER HN 66 SER QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 957, 958,
&end
#
# 66 SER HN 66 SER HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 66 SER HN 66 SER HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 66 SER HN 67 LYS+ HN 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= 953, 964, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 66 SER HB2 67 LYS+ HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 957, 964, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 66 SER HB3 67 LYS+ HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 958, 964, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 67 LYS+ HA 67 LYS+ QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 974, 975,
&end
#
# 67 LYS+ HA 67 LYS+ QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 966, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 971, 972,
&end
#
# 67 LYS+ HA 67 LYS+ HD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 966, 974, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 LYS+ HA 67 LYS+ HD3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 966, 975, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 67 LYS+ HN 67 LYS+ QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 968, 969,
&end
#
# 67 LYS+ HN 67 LYS+ QG 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 964, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 971, 972,
&end
#
# 67 LYS+ HN 68 CYS HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 964, 986, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 67 LYS+ QB 67 LYS+ QD 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 968, 969,
igr2= 974, 975,
&end
#
# 67 LYS+ QB 69 PHE HZ 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 968, 969,
&end
#
# 67 LYS+ QB 69 PHE QD 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 968, 969,
igr2=1005,1013,
&end
#
# 67 LYS+ QB 69 PHE QE 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 968, 969,
igr2=1007,1011,
&end
#
# 67 LYS+ QD 69 PHE QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 974, 975,
igr2=1007,1011,
&end
#
# 67 LYS+ QE 69 PHE QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 977, 978,
igr2=1007,1011,
&end
#
# 67 LYS+ QG 67 LYS+ QE 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 971, 972,
igr2= 977, 978,
&end
#
# 67 LYS+ QG 69 PHE QE 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 971, 972,
igr2=1007,1011,
&end
#
# 67 LYS+ HB2 69 PHE QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1005,1013,
&end
#
# 67 LYS+ HB2 69 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1007,1011,
&end
#
# 67 LYS+ HB3 69 PHE QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1005,1013,
&end
#
# 67 LYS+ HB3 69 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1007,1011,
&end
#
# 67 LYS+ HD2 69 PHE HZ 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 974,1009, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 LYS+ HD2 69 PHE QE 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1007,1011,
&end
#
# 67 LYS+ HD3 69 PHE HZ 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 975,1009, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 67 LYS+ HD3 69 PHE QE 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 975, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1007,1011,
&end
#
# 68 CYS HA 69 PHE QD 5.00 100.00
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 4.50, r2= 5.00, r3=112.25, r4=112.75,
igr2=1005,1013,
&end
#
# 68 CYS HN 69 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 986, 997, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 69 PHE HA 69 PHE QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 999, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1005,1013,
&end
#
# 69 PHE HA 70 GLY HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 999,1017, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 69 PHE HN 69 PHE QD 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 997, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1005,1013,
&end
#
# 69 PHE QB 70 GLY HN 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1001,1002,
&end
#
# 69 PHE QD 70 GLY HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1005,1013,
&end
#
# 71 PHE HA 71 PHE QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1032,1040,
&end
#
# 71 PHE HA 72 VAL HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1026,1044, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 71 PHE HA 72 VAL QG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1054,1055,1056,
&end
#
# 71 PHE HN 71 PHE QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1032,1040,
&end
#
# 71 PHE HN 71 PHE HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1024,1028, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 71 PHE HN 71 PHE HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1024,1029, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 71 PHE HN 72 VAL QG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1024, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2=1054,1055,1056,
&end
#
# 71 PHE HZ 73 SER QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1064,1065,
&end
#
# 71 PHE HZ 102 LYS+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1514,1515,
&end
#
# 71 PHE QD 72 VAL HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1032,1040,
&end
#
# 71 PHE QE 73 SER QB 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1034,1038,
igr2=1064,1065,
&end
#
# 71 PHE QE 73 SER HB2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1064, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1034,1038,
&end
#
# 71 PHE QE 73 SER HB3 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1034,1038,
&end
#
# 71 PHE QE 102 LYS+ QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1034,1038,
igr2=1520,1521,
&end
#
# 71 PHE QE 102 LYS+ HD2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1034,1038,
&end
#
# 71 PHE QE 102 LYS+ HD3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1521, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1034,1038,
&end
#
# 71 PHE HB2 72 VAL HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1028,1044, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 71 PHE HB3 72 VAL HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1029,1044, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 72 VAL HA 72 VAL QG1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1050,1051,1052,
&end
#
# 72 VAL HA 72 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1054,1055,1056,
&end
#
# 72 VAL HA 73 SER HN 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat=1046,1060, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 72 VAL HN 72 VAL HB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1044,1048, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 72 VAL HN 72 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1054,1055,1056,
&end
#
# 72 VAL QG1 73 SER HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1=1050,1051,1052,
&end
#
# 72 VAL QG1 73 SER HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1=1050,1051,1052,
&end
#
# 72 VAL QG1 74 TYR HH 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1050,1051,1052,
&end
#
# 72 VAL QG1 74 TYR QD 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1050,1051,1052,
igr2=1079,1088,
&end
#
# 72 VAL QG1 74 TYR QE 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1=1050,1051,1052,
igr2=1081,1086,
&end
#
# 72 VAL QG1 83 ALA QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1050,1051,1052,
igr2=1200,1201,1202,
&end
#
# 72 VAL QG2 73 SER HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1054,1055,1056,
&end
#
# 73 SER HA 74 TYR HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1062,1071, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 73 SER QB 74 TYR HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1071, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1064,1065,
&end
#
# 74 TYR HA 74 TYR QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1073, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1079,1088,
&end
#
# 74 TYR HA 75 ASP- HN 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1073,1092, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 74 TYR HA 76 ASN HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1073,1104, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 74 TYR HH 83 ALA QB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1084, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1200,1201,1202,
&end
#
# 74 TYR HN 74 TYR QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1079,1088,
&end
#
# 74 TYR HN 74 TYR HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1071,1075, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 74 TYR HN 80 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1071, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1163,1164,1165,
&end
#
# 74 TYR QD 75 ASP- HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1079,1088,
&end
#
# 74 TYR QD 76 ASN HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1079,1088,
&end
#
# 74 TYR QD 79 SER HB2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1079,1088,
&end
#
# 74 TYR QD 79 SER HB3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1079,1088,
&end
#
# 74 TYR QD 80 ALA HA 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1079,1088,
&end
#
# 74 TYR QD 80 ALA HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1079,1088,
&end
#
# 74 TYR QD 80 ALA QB 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1079,1088,
igr2=1163,1164,1165,
&end
#
# 74 TYR QD 83 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1079,1088,
igr2=1200,1201,1202,
&end
#
# 74 TYR QE 74 TYR HH 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1084, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1081,1086,
&end
#
# 74 TYR QE 80 ALA HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1081,1086,
&end
#
# 74 TYR QE 80 ALA QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1081,1086,
igr2=1163,1164,1165,
&end
#
# 74 TYR QE 83 ALA HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1081,1086,
&end
#
# 74 TYR QE 83 ALA QB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1081,1086,
igr2=1200,1201,1202,
&end
#
# 74 TYR HB2 75 ASP- HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1075,1092, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 74 TYR HB2 76 ASN HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1075,1104, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 74 TYR HB2 80 ALA QB 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1163,1164,1165,
&end
#
# 74 TYR HB3 75 ASP- HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1076,1092, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 74 TYR HB3 76 ASN HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1076,1104, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 74 TYR HB3 79 SER QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1152,1153,
&end
#
# 74 TYR HB3 79 SER HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1076,1152, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 74 TYR HB3 79 SER HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1076,1153, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 75 ASP- HN 75 ASP- HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 75 ASP- HN 75 ASP- HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1092,1097, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 75 ASP- HN 76 ASN HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1092,1104, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 75 ASP- QB 76 ASN HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1104, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1=1096,1097,
&end
#
# 76 ASN HA 77 PROO HD2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1106,1119, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 76 ASN HA 77 PROO HD3 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1106,1120, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 76 ASN HA 77 PROO HG2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1106,1122, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 76 ASN HA 80 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1106, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1163,1164,1165,
&end
#
# 76 ASN HN 76 ASN QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1108,1109,
&end
#
# 76 ASN HN 76 ASN QD2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1113,1114,
&end
#
# 76 ASN HN 79 SER QB 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1104, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1152,1153,
&end
#
# 76 ASN QB 77 PROO HD2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1108,1109,
&end
#
# 76 ASN HB2 77 PROO HD2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1108,1119, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 76 ASN HB2 77 PROO HD3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1108,1120, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 76 ASN HB2 78 VAL HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1108,1132, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 76 ASN HB3 77 PROO HD2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1109,1119, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 76 ASN HB3 77 PROO HD3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1109,1120, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 76 ASN HB3 78 VAL HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1109,1132, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 76 ASN QD2 79 SER HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1113,1114,
&end
#
# 76 ASN QD2 79 SER QB 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1113,1114,
igr2=1152,1153,
&end
#
# 77 PROO HA 77 PROO HG2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1128,1122, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 77 PROO HA 80 ALA HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1128,1159, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 77 PROO HA 80 ALA QB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1163,1164,1165,
&end
#
# 77 PROO QB 78 VAL HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1132, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1125,1126,
&end
#
# 77 PROO QB 80 ALA QB 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1=1125,1126,
igr2=1163,1164,1165,
&end
#
# 77 PROO HB2 78 VAL HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1125,1132, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 77 PROO HB3 78 VAL HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1126,1132, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 77 PROO HD2 77 PROO QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1125,1126,
&end
#
# 77 PROO HD2 77 PROO HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1119,1125, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 77 PROO HD2 77 PROO HB3 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1119,1126, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 77 PROO HD2 77 PROO HG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1119,1122, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 77 PROO HD2 77 PROO HG3 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 77 PROO HD2 78 VAL HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1119,1132, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 77 PROO HD2 78 VAL QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1142,1143,1144,
&end
#
# 77 PROO HD3 77 PROO HB2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1120,1125, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 PROO HD3 77 PROO HB3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1120,1126, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 PROO HD3 77 PROO HG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1120,1122, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 77 PROO HD3 77 PROO HG3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1120,1123, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 77 PROO HD3 78 VAL HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1120,1132, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 77 PROO HG2 78 VAL HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1122,1132, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 77 PROO HG2 78 VAL QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1142,1143,1144,
&end
#
# 77 PROO HG3 78 VAL HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1123,1132, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 78 VAL HA 78 VAL QG1 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1138,1139,1140,
&end
#
# 78 VAL HA 78 VAL QG2 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1142,1143,1144,
&end
#
# 78 VAL HA 81 GLN HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1134,1169, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 78 VAL HA 81 GLN QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1173,1174,
&end
#
# 78 VAL HA 81 GLN QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1173,1174,
&end
#
# 78 VAL HA 81 GLN QG 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1176,1177,
&end
#
# 78 VAL HB 79 SER HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1136,1148, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 78 VAL HN 78 VAL HB 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat=1132,1136, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 78 VAL HN 78 VAL QG1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1138,1139,1140,
&end
#
# 78 VAL HN 78 VAL QG2 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1142,1143,1144,
&end
#
# 78 VAL HN 79 SER HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1132,1148, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 78 VAL HN 80 ALA HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1132,1159, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 78 VAL HN 80 ALA QB 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1163,1164,1165,
&end
#
# 78 VAL QG1 79 SER HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1138,1139,1140,
&end
#
# 78 VAL QG1 79 SER HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1138,1139,1140,
&end
#
# 78 VAL QG2 79 SER HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1142,1143,1144,
&end
#
# 79 SER HA 82 ALA QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1190,1191,1192,
&end
#
# 79 SER HN 79 SER QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1152,1153,
&end
#
# 79 SER HN 79 SER HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1148,1152, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 79 SER HN 79 SER HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1148,1153, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 79 SER HN 80 ALA HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1148,1159, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 79 SER HN 80 ALA QB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1163,1164,1165,
&end
#
# 79 SER QB 80 ALA HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1152,1153,
&end
#
# 79 SER HB2 80 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1152,1159, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 79 SER HB3 80 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1153,1159, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 80 ALA HA 83 ALA HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1161,1196, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 80 ALA HA 83 ALA QB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2=1200,1201,1202,
&end
#
# 80 ALA HN 80 ALA QB 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1163,1164,1165,
&end
#
# 80 ALA HN 81 GLN HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1159,1169, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 80 ALA HN 81 GLN QB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1173,1174,
&end
#
# 80 ALA QB 81 GLN HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1169, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1163,1164,1165,
&end
#
# 80 ALA QB 81 GLN QG 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1163,1164,1165,
igr2=1176,1177,
&end
#
# 81 GLN HA 81 GLN QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1176,1177,
&end
#
# 81 GLN HA 83 ALA HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1171,1196, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 81 GLN HA 84 ILE HB 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1171,1210, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 81 GLN HA 84 ILE HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1171,1206, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 81 GLN HA 84 ILE QD1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1171, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1219,1220,1221,
&end
#
# 81 GLN HA 85 GLN HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1171,1225, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 81 GLN HN 81 GLN QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1173,1174,
&end
#
# 81 GLN HN 81 GLN QG 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1169, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1176,1177,
&end
#
# 81 GLN QB 81 GLN QE2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1173,1174,
igr2=1181,1182,
&end
#
# 81 GLN QB 82 ALA HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1=1173,1174,
&end
#
# 81 GLN QB 82 ALA QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1173,1174,
igr2=1190,1191,1192,
&end
#
# 81 GLN QB 84 ILE HB 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1210, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1173,1174,
&end
#
# 81 GLN QB 84 ILE HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1173,1174,
&end
#
# 81 GLN QG 81 GLN QE2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1176,1177,
igr2=1181,1182,
&end
#
# 81 GLN QG 82 ALA HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1176,1177,
&end
#
# 81 GLN QG 84 ILE QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1176,1177,
igr2=1219,1220,1221,
&end
#
# 81 GLN QG 101 LEU QD1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1=1176,1177,
igr2=1500,1501,1502,
&end
#
# 81 GLN QE2 84 ILE QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1=1181,1182,
igr2=1219,1220,1221,
&end
#
# 81 GLN QE2 101 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1181,1182,
igr2=1504,1505,1506,
&end
#
# 81 GLN HE21 84 ILE QD1 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1219,1220,1221,
&end
#
# 81 GLN HE21 101 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1500,1501,1502,
&end
#
# 81 GLN HE22 84 ILE QD1 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2=1219,1220,1221,
&end
#
# 81 GLN HE22 101 LEU QD1 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1500,1501,1502,
&end
#
# 82 ALA HA 85 GLN HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1188,1225, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 82 ALA HA 85 GLN QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1229,1230,
&end
#
# 82 ALA HA 85 GLN QB 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1229,1230,
&end
#
# 82 ALA HA 85 GLN QG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1232,1233,
&end
#
# 82 ALA HN 82 ALA QB 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1190,1191,1192,
&end
#
# 82 ALA QB 83 ALA HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1196, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1190,1191,1192,
&end
#
# 82 ALA QB 84 ILE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1190,1191,1192,
&end
#
# 82 ALA QB 85 GLN HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1=1190,1191,1192,
&end
#
# 83 ALA HA 86 SER HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1198,1242, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 83 ALA HA 86 SER HB2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1198,1246, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 83 ALA HA 86 SER HB3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1198,1247, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 83 ALA HA 87 MET HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1198,1253, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 83 ALA HN 83 ALA QB 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1200,1201,1202,
&end
#
# 83 ALA HN 84 ILE HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1196,1206, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 83 ALA HN 84 ILE QD1 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1196, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2=1219,1220,1221,
&end
#
# 83 ALA HN 84 ILE HG12 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1196,1216, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 ALA HN 84 ILE HG13 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1196,1217, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 83 ALA HN 86 SER HB2 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat=1196,1246, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 83 ALA QB 84 ILE HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1200,1201,1202,
&end
#
# 83 ALA QB 85 GLN HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1=1200,1201,1202,
&end
#
# 83 ALA QB 87 MET HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1200,1201,1202,
&end
#
# 83 ALA QB 99 VAL QG1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1200,1201,1202,
igr2=1464,1465,1466,
&end
#
# 84 ILE HA 84 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1219,1220,1221,
&end
#
# 84 ILE HA 84 ILE QG2 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1212,1213,1214,
&end
#
# 84 ILE HA 84 ILE HG12 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat=1208,1216, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 84 ILE HA 84 ILE HG13 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1208,1217, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 84 ILE HA 87 MET HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1208,1253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 ILE HA 88 ASN HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1208,1270, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 84 ILE HA 88 ASN HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1208,1274, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 84 ILE HA 88 ASN HB3 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=1208,1275, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 84 ILE HA 99 VAL HB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1208,1462, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 84 ILE HA 99 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1208, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1464,1465,1466,
&end
#
# 84 ILE HB 84 ILE QD1 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1219,1220,1221,
&end
#
# 84 ILE HB 85 GLN HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 84 ILE HB 85 GLN QB 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1229,1230,
&end
#
# 84 ILE HB 85 GLN QG 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1210, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1232,1233,
&end
#
# 84 ILE HN 84 ILE HB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1206,1210, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 84 ILE HN 84 ILE QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1219,1220,1221,
&end
#
# 84 ILE HN 84 ILE QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1212,1213,1214,
&end
#
# 84 ILE HN 84 ILE HG12 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 84 ILE HN 84 ILE HG13 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1206,1217, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 84 ILE HN 85 GLN HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1206,1225, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 84 ILE HN 85 GLN QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1229,1230,
&end
#
# 84 ILE HN 99 VAL QG1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1464,1465,1466,
&end
#
# 84 ILE QD1 85 GLN HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1219,1220,1221,
&end
#
# 84 ILE QD1 100 GLN HA 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1219,1220,1221,
&end
#
# 84 ILE QD1 101 LEU HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1493, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1219,1220,1221,
&end
#
# 84 ILE QD1 101 LEU HG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1498, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1=1219,1220,1221,
&end
#
# 84 ILE QD1 101 LEU HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1219,1220,1221,
&end
#
# 84 ILE QD1 101 LEU QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1219,1220,1221,
igr2=1495,1496,
&end
#
# 84 ILE QG2 84 ILE HG12 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 84 ILE HG13 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1217, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 85 GLN HA 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1227, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 85 GLN HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 85 GLN QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1212,1213,1214,
igr2=1229,1230,
&end
#
# 84 ILE QG2 88 ASN HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1272, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 88 ASN HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1270, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 88 ASN HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1274, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 88 ASN HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 99 VAL HB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1462, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 99 VAL HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 100 GLN HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1212,1213,1214,
&end
#
# 84 ILE QG2 101 LEU HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1212,1213,1214,
&end
#
# 84 ILE HG12 85 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1216,1225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 ILE HG13 99 VAL HB 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1217,1462, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 84 ILE HG13 99 VAL QG1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1217, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1464,1465,1466,
&end
#
# 85 GLN HA 85 GLN QG 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1227, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1232,1233,
&end
#
# 85 GLN HN 85 GLN QB 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2=1229,1230,
&end
#
# 85 GLN HN 85 GLN QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1225, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1232,1233,
&end
#
# 85 GLN HN 86 SER HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1225,1242, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 85 GLN HN 86 SER HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1225,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 GLN QB 86 SER HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1229,1230,
&end
#
# 85 GLN QB 86 SER HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1=1229,1230,
&end
#
# 85 GLN QG 86 SER HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1242, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1232,1233,
&end
#
# 86 SER HN 86 SER HB2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1242,1246, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 86 SER HN 86 SER HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1242,1247, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 86 SER HN 87 MET HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1242,1253, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 86 SER HB2 87 MET HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1246,1253, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 86 SER HB2 87 MET HG2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1246,1260, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 86 SER HB3 87 MET HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1247,1253, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 86 SER HB3 87 MET HG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1247,1260, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 87 MET HA 87 MET QE 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1264,1265,1266,
&end
#
# 87 MET HA 90 PHE HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1255,1293, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 87 MET HA 90 PHE HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1255,1291, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 87 MET HA 90 PHE QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1295,1296,
&end
#
# 87 MET HA 90 PHE QD 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2=1299,1307,
&end
#
# 87 MET HA 90 PHE HB2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1255,1295, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 87 MET HA 90 PHE HB3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1255,1296, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 87 MET HA 97 LEU QD1 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1255, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1426,1427,1428,
&end
#
# 87 MET HN 87 MET QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1264,1265,1266,
&end
#
# 87 MET HN 87 MET HB2 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1253,1257, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 87 MET HN 87 MET HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1253,1258, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 87 MET HN 87 MET HG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1253,1260, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 87 MET HN 87 MET HG3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1253,1261, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 87 MET QE 90 PHE HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1291, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1264,1265,1266,
&end
#
# 87 MET QE 90 PHE HZ 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1303, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1=1264,1265,1266,
&end
#
# 87 MET QE 90 PHE QD 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1264,1265,1266,
igr2=1299,1307,
&end
#
# 87 MET QE 90 PHE QE 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1264,1265,1266,
igr2=1301,1305,
&end
#
# 87 MET QE 90 PHE HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1264,1265,1266,
&end
#
# 87 MET QE 90 PHE HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1296, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1264,1265,1266,
&end
#
# 87 MET HB2 87 MET QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1264,1265,1266,
&end
#
# 87 MET HB2 88 ASN HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1257,1270, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 87 MET HB2 88 ASN HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1257,1275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 MET HB2 99 VAL QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1257, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1468,1469,1470,
&end
#
# 87 MET HB3 87 MET QE 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1264,1265,1266,
&end
#
# 87 MET HB3 88 ASN HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1258,1270, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 87 MET HB3 90 PHE HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat=1258,1291, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 87 MET HB3 90 PHE QB 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1258, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1295,1296,
&end
#
# 87 MET HG3 87 MET QE 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1264,1265,1266,
&end
#
# 87 MET HG3 97 LEU QD1 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1261, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1426,1427,1428,
&end
#
# 88 ASN HA 89 GLY HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1272,1284, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 88 ASN HA 89 GLY HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1272,1284, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 88 ASN HA 90 PHE HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1272,1291, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 88 ASN HA 98 LYS+ HA 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1272,1438, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 88 ASN HA 99 VAL HB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1272,1462, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 88 ASN HA 99 VAL HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1272,1458, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 88 ASN HA 99 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1272, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1468,1469,1470,
&end
#
# 88 ASN HN 88 ASN HB2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1270,1274, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 88 ASN HN 88 ASN HB3 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1270,1275, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 88 ASN HN 88 ASN HD21 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1270,1279, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 88 ASN HN 89 GLY HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 88 ASN HN 99 VAL HB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1270,1462, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 88 ASN HN 99 VAL QG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1468,1469,1470,
&end
#
# 88 ASN HB2 89 GLY HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1274,1284, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 88 ASN HB2 99 VAL HB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1274,1462, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 88 ASN HB2 99 VAL HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1274,1458, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 88 ASN HB3 99 VAL HB 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat=1275,1462, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 88 ASN HB3 99 VAL HN 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat=1275,1458, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 89 GLY HN 90 PHE HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 89 GLY HN 96 ARG+ HB3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1284,1398, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 89 GLY HN 97 LEU QB 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1421,1422,
&end
#
# 89 GLY HN 98 LYS+ HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1284,1438, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 89 GLY HN 99 VAL HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1284,1458, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 89 GLY HN 99 VAL QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1284, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1468,1469,1470,
&end
#
# 89 GLY HA2 96 ARG+ QD 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1286, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1403,1404,
&end
#
# 89 GLY HA2 96 ARG+ HB2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1286,1397, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 89 GLY HA2 96 ARG+ HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1286,1398, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 89 GLY HA3 96 ARG+ QD 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1287, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1403,1404,
&end
#
# 89 GLY HA3 96 ARG+ HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1287,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 89 GLY HA3 96 ARG+ HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1287,1398, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 90 PHE HA 90 PHE QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1299,1307,
&end
#
# 90 PHE HA 91 GLN HN 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat=1293,1311, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 90 PHE HA 91 GLN QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1293, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1315,1316,
&end
#
# 90 PHE HA 91 GLN HB2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1293,1315, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 PHE HA 91 GLN HB3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1293,1316, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 90 PHE HN 90 PHE QD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1299,1307,
&end
#
# 90 PHE HN 90 PHE HB2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1291,1295, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 90 PHE HN 90 PHE HB3 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1291,1296, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 90 PHE HN 96 ARG+ HB3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1291,1398, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 90 PHE HN 97 LEU HG 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat=1291,1424, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 90 PHE HN 97 LEU HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1291,1417, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 90 PHE HN 97 LEU QB 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1421,1422,
&end
#
# 90 PHE HN 97 LEU QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1426,1427,1428,
&end
#
# 90 PHE HZ 92 ILE HB 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1303,1332, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 90 PHE HZ 92 ILE QD1 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1303, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2=1341,1342,1343,
&end
#
# 90 PHE QB 97 LEU HG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1295,1296,
&end
#
# 90 PHE QB 97 LEU HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1295,1296,
&end
#
# 90 PHE QB 97 LEU QB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1295,1296,
igr2=1421,1422,
&end
#
# 90 PHE QB 97 LEU QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1295,1296,
igr2=1426,1427,1428,
&end
#
# 90 PHE QB 97 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1295,1296,
igr2=1430,1431,1432,
&end
#
# 90 PHE QD 91 GLN HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1311, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1299,1307,
&end
#
# 90 PHE QD 92 ILE HB 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1299,1307,
&end
#
# 90 PHE QD 92 ILE QD1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1299,1307,
igr2=1341,1342,1343,
&end
#
# 90 PHE QD 92 ILE QG1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1299,1307,
igr2=1338,1339,
&end
#
# 90 PHE QD 92 ILE QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1299,1307,
igr2=1334,1335,1336,
&end
#
# 90 PHE QD 97 LEU HG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1299,1307,
&end
#
# 90 PHE QD 97 LEU QD1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1299,1307,
igr2=1426,1427,1428,
&end
#
# 90 PHE QD 97 LEU QD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1299,1307,
igr2=1430,1431,1432,
&end
#
# 90 PHE QE 92 ILE HB 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1301,1305,
&end
#
# 90 PHE QE 92 ILE QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1301,1305,
igr2=1341,1342,1343,
&end
#
# 90 PHE QE 92 ILE QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1=1301,1305,
igr2=1338,1339,
&end
#
# 90 PHE QE 92 ILE HG12 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1301,1305,
&end
#
# 90 PHE QE 92 ILE HG13 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1301,1305,
&end
#
# 90 PHE QE 97 LEU QD1 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
igr1=1301,1305,
igr2=1426,1427,1428,
&end
#
# 90 PHE HB2 91 GLN HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1295,1311, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 90 PHE HB2 97 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1426,1427,1428,
&end
#
# 90 PHE HB3 91 GLN HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat=1296,1311, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 90 PHE HB3 97 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1296, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1426,1427,1428,
&end
#
# 91 GLN HA 91 GLN QG 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1318,1319,
&end
#
# 91 GLN HA 92 ILE HN 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat=1313,1328, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 91 GLN HA 92 ILE QG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1313, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1334,1335,1336,
&end
#
# 91 GLN HA 96 ARG+ HA 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1313,1395, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 91 GLN HA 96 ARG+ HG2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1313,1400, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 91 GLN HA 96 ARG+ HG3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1313,1401, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 91 GLN HA 97 LEU HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1313,1417, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 91 GLN HN 91 GLN QG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1318,1319,
&end
#
# 91 GLN HN 91 GLN HB2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1311,1315, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 91 GLN HN 91 GLN HB3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1311,1316, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 91 GLN QB 92 ILE HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1315,1316,
&end
#
# 91 GLN QB 96 ARG+ HG3 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1315,1316,
&end
#
# 91 GLN QG 92 ILE HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1328, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1318,1319,
&end
#
# 91 GLN QG 96 ARG+ HA 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1=1318,1319,
&end
#
# 91 GLN QG 96 ARG+ HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1400, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1318,1319,
&end
#
# 91 GLN QG 96 ARG+ HG3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1=1318,1319,
&end
#
# 91 GLN HB2 92 ILE HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1315,1328, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 91 GLN HB3 92 ILE HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1316,1328, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 91 GLN QE2 94 MET HA 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1323,1324,
&end
#
# 92 ILE HA 92 ILE QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1341,1342,1343,
&end
#
# 92 ILE HA 92 ILE QG1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2=1338,1339,
&end
#
# 92 ILE HA 92 ILE QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2=1334,1335,1336,
&end
#
# 92 ILE HA 92 ILE HG12 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1330,1338, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 92 ILE HA 92 ILE HG13 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1330,1339, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 92 ILE HA 93 GLY HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1330,1347, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 92 ILE HB 92 ILE QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1332, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1341,1342,1343,
&end
#
# 92 ILE HN 92 ILE HB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 92 ILE HN 92 ILE QG1 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1338,1339,
&end
#
# 92 ILE HN 92 ILE QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1334,1335,1336,
&end
#
# 92 ILE HN 95 LYS+ HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1328,1371, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 92 ILE HN 95 LYS+ QG 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat=1328, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1378,1379,
&end
#
# 92 ILE HN 96 ARG+ HA 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1328,1395, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 92 ILE HN 96 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1328,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 ILE QD1 97 LEU HG 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1=1341,1342,1343,
&end
#
# 92 ILE QG2 93 GLY HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1347, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 94 MET HN 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 95 LYS+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 97 LEU HG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1334,1335,1336,
&end
#
# 92 ILE QG2 97 LEU HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1334,1335,1336,
&end
#
# 93 GLY QA 95 LYS+ HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1349,1350,
&end
#
# 93 GLY HA2 95 LYS+ HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1349,1371, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 93 GLY HA3 95 LYS+ HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1350,1371, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 94 MET HA 94 MET QE 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1365,1366,1367,
&end
#
# 94 MET HA 94 MET HG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 94 MET HA 94 MET HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1356,1362, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 94 MET HN 95 LYS+ HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1354,1371, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 94 MET QB 95 LYS+ HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1371, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1=1358,1359,
&end
#
# 94 MET HB2 95 LYS+ HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1358,1371, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 94 MET HB3 95 LYS+ HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1359,1371, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 95 LYS+ HA 95 LYS+ QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1381,1382,
&end
#
# 95 LYS+ HA 95 LYS+ QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1373, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1378,1379,
&end
#
# 95 LYS+ HA 96 ARG+ HN 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1373,1393, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 95 LYS+ HA 96 ARG+ HG3 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1373,1401, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 95 LYS+ HN 95 LYS+ QB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1375,1376,
&end
#
# 95 LYS+ HN 95 LYS+ QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1381,1382,
&end
#
# 95 LYS+ HN 95 LYS+ QG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1371, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1378,1379,
&end
#
# 95 LYS+ HN 95 LYS+ HG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 95 LYS+ HN 95 LYS+ HG3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1371,1379, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 95 LYS+ QB 95 LYS+ QD 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1375,1376,
igr2=1381,1382,
&end
#
# 95 LYS+ QB 95 LYS+ QE 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1375,1376,
igr2=1384,1385,
&end
#
# 95 LYS+ QB 95 LYS+ HE2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1384, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1375,1376,
&end
#
# 95 LYS+ QB 95 LYS+ HE3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1375,1376,
&end
#
# 95 LYS+ QB 96 ARG+ HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1375,1376,
&end
#
# 95 LYS+ QD 96 ARG+ HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1393, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1381,1382,
&end
#
# 95 LYS+ QD 97 LEU HA 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1=1381,1382,
&end
#
# 95 LYS+ QG 95 LYS+ QE 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1378,1379,
igr2=1384,1385,
&end
#
# 95 LYS+ HG2 96 ARG+ HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1378,1393, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 95 LYS+ HG3 96 ARG+ HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1379,1393, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 96 ARG+ HA 96 ARG+ HG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1395,1400, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 96 ARG+ HA 96 ARG+ HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1395,1401, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 96 ARG+ HA 97 LEU HG 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1395,1424, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 96 ARG+ HA 97 LEU HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1395,1417, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 96 ARG+ HN 96 ARG+ QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1393, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1403,1404,
&end
#
# 96 ARG+ HN 96 ARG+ HB2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1393,1397, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 96 ARG+ HN 96 ARG+ HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1393,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 96 ARG+ HN 96 ARG+ HG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1393,1400, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 96 ARG+ HN 96 ARG+ HG3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1393,1401, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 96 ARG+ HB3 96 ARG+ HD2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1398,1403, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 96 ARG+ HB3 96 ARG+ HD3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1398,1404, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 96 ARG+ HB3 97 LEU HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1398,1417, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 96 ARG+ HG2 97 LEU HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1400,1417, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 96 ARG+ HG3 97 LEU HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat=1401,1417, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 97 LEU HA 97 LEU QD1 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1426,1427,1428,
&end
#
# 97 LEU HA 97 LEU QD2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1430,1431,1432,
&end
#
# 97 LEU HA 98 LYS+ HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1419,1436, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 97 LEU HA 98 LYS+ QB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1440,1441,
&end
#
# 97 LEU HN 97 LEU HG 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1417,1424, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 97 LEU HN 97 LEU QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1421,1422,
&end
#
# 97 LEU HN 97 LEU HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 97 LEU HN 97 LEU HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1417,1422, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 97 LEU HN 97 LEU QD1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1426,1427,1428,
&end
#
# 97 LEU HN 97 LEU QD2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1417, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1430,1431,1432,
&end
#
# 97 LEU QB 97 LEU QD2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1421,1422,
igr2=1430,1431,1432,
&end
#
# 97 LEU QB 98 LYS+ HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1421,1422,
&end
#
# 97 LEU HB2 97 LEU QD1 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1426,1427,1428,
&end
#
# 97 LEU HB2 97 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1430,1431,1432,
&end
#
# 97 LEU HB2 98 LYS+ HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1421,1436, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 97 LEU HB3 97 LEU QD1 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1426,1427,1428,
&end
#
# 97 LEU HB3 97 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1430,1431,1432,
&end
#
# 97 LEU HB3 98 LYS+ HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1422,1436, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 97 LEU QD2 98 LYS+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1430,1431,1432,
&end
#
# 98 LYS+ HA 98 LYS+ QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1443,1444,
&end
#
# 98 LYS+ HA 98 LYS+ HD2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1438,1446, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 98 LYS+ HA 98 LYS+ HD3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1438,1447, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 98 LYS+ HA 98 LYS+ HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1438,1443, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 98 LYS+ HA 98 LYS+ HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1438,1444, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 98 LYS+ HA 99 VAL HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat=1438,1458, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 98 LYS+ HA 99 VAL QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1468,1469,1470,
&end
#
# 98 LYS+ HN 98 LYS+ QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1440,1441,
&end
#
# 98 LYS+ HN 99 VAL QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1468,1469,1470,
&end
#
# 98 LYS+ QB 98 LYS+ QE 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1440,1441,
igr2=1449,1450,
&end
#
# 98 LYS+ QB 99 VAL HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1440,1441,
&end
#
# 98 LYS+ QG 99 VAL HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1443,1444,
&end
#
# 98 LYS+ HG2 99 VAL HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1443,1458, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 98 LYS+ HG3 99 VAL HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1444,1458, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 99 VAL HA 99 VAL QG1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1464,1465,1466,
&end
#
# 99 VAL HA 99 VAL QG2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1460, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1468,1469,1470,
&end
#
# 99 VAL HA 100 GLN HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1460,1474, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 99 VAL HB 100 GLN HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1462,1474, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 99 VAL HN 99 VAL HB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1458,1462, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 99 VAL HN 99 VAL QG1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1464,1465,1466,
&end
#
# 99 VAL HN 99 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1468,1469,1470,
&end
#
# 99 VAL QG1 100 GLN HA 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1476, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1464,1465,1466,
&end
#
# 99 VAL QG1 100 GLN HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1464,1465,1466,
&end
#
# 99 VAL QG2 100 GLN HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1474, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1468,1469,1470,
&end
#
# 100 GLN HA 101 LEU HG 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1476,1498, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 100 GLN HA 101 LEU HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1476,1491, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 100 GLN HA 101 LEU QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1476, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1495,1496,
&end
#
# 100 GLN HN 100 GLN QB 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1478,1479,
&end
#
# 100 GLN HN 100 GLN QG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1474, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1481,1482,
&end
#
# 100 GLN HN 100 GLN HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1474,1478, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 100 GLN HN 100 GLN HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1474,1479, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 100 GLN HN 100 GLN HG2 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat=1474,1481, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 100 GLN HN 100 GLN HG3 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat=1474,1482, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 100 GLN QG 101 LEU HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1481,1482,
&end
#
# 100 GLN HB2 101 LEU HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1478,1491, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 100 GLN HB3 101 LEU HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1479,1491, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 100 GLN HG2 101 LEU HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1481,1491, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 100 GLN HG3 101 LEU HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1482,1491, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 101 LEU HA 101 LEU QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1500,1501,1502,
&end
#
# 101 LEU HA 101 LEU QD2 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1493, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1504,1505,1506,
&end
#
# 101 LEU HA 102 LYS+ HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1493,1510, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 101 LEU HN 101 LEU HG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1491,1498, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 101 LEU HN 101 LEU QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2=1495,1496,
&end
#
# 101 LEU HN 101 LEU QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1500,1501,1502,
&end
#
# 101 LEU HN 101 LEU QD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1491, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1504,1505,1506,
&end
#
# 101 LEU QB 101 LEU QD1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1=1495,1496,
igr2=1500,1501,1502,
&end
#
# 101 LEU QB 101 LEU QD2 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1=1495,1496,
igr2=1504,1505,1506,
&end
#
# 101 LEU QB 102 LYS+ HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1=1495,1496,
&end
#
# 101 LEU QD1 102 LYS+ HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1500,1501,1502,
&end
#
# 101 LEU QD2 102 LYS+ HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1504,1505,1506,
&end
#
# 102 LYS+ HA 102 LYS+ QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1523,1524,
&end
#
# 102 LYS+ HA 102 LYS+ QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1512, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1517,1518,
&end
#
# 102 LYS+ HN 102 LYS+ QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1514,1515,
&end
#
# 102 LYS+ HN 102 LYS+ QG 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1510, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1517,1518,
&end
#
# 102 LYS+ HN 102 LYS+ HB2 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1510,1514, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 LYS+ HN 102 LYS+ HB3 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1510,1515, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 102 LYS+ QG 103 ARG+ HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1517,1518,
&end
#
# 103 ARG+ HA 103 ARG+ QD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1542,1543,
&end
#
# 103 ARG+ HA 103 ARG+ QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1539,1540,
&end
#
# 103 ARG+ HN 103 ARG+ QG 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2=1539,1540,
&end
#
# 103 ARG+ QG 103 ARG+ QD 1.80 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr1=1539,1540,
igr2=1542,1543,
&end
#
# 103 ARG+ HB2 103 ARG+ QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1536, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1542,1543,
&end
#
# 103 ARG+ HB3 103 ARG+ QD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1537, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2=1542,1543,
&end
#
# 105 LYS+ HA 105 LYS+ QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1569, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1577,1578,
&end
#
# 109 LYS+ HA 109 LYS+ QG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1628, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1633,1634,
&end
#
# 111 GLY QA 112 PROO QD 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1661,1662,
igr2=1667,1668,
&end
#
# 111 GLY QA 112 PROO HD2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1667, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1661,1662,
&end
#
# 111 GLY QA 112 PROO HD3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1668, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1661,1662,
&end
#
# 112 PROO HD2 112 PROO QG 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1667, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1670,1671,
&end
#
# 112 PROO HD3 112 PROO QG 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1668, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1670,1671,
&end
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