NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
527833 |
2rs2   |
11450 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 1 CYS HA 55 VAL QG2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 6, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr2= 867, 868, 869,
&end
#
# 1 CYS HB2 48 THR QG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 766, 767, 768,
&end
#
# 1 CYS HB2 49 PHE HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 8, 778, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1 CYS HB2 49 PHE HB3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 8, 779, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1 CYS HB2 49 PHE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 8, 774, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 1 CYS HB2 52 GLN HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 8, 825, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 1 CYS HB2 55 VAL QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 867, 868, 869,
&end
#
# 1 CYS HB3 48 THR QG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 9, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 766, 767, 768,
&end
#
# 1 CYS HB3 49 PHE HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 9, 778, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 1 CYS HB3 49 PHE HB3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 9, 779, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 1 CYS HB3 49 PHE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 9, 774, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 1 CYS HB3 52 GLN HA 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 9, 825, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 1 CYS HB3 55 VAL QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 9, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 867, 868, 869,
&end
#
# 1 CYS QB 48 THR QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 8, 9,
igr2= 766, 767, 768,
&end
#
# 1 CYS QB 49 PHE HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 8, 9,
&end
#
# 1 CYS QB 49 PHE HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 8, 9,
&end
#
# 1 CYS QB 49 PHE HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 8, 9,
&end
#
# 1 CYS QB 52 GLN HA 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 8, 9,
&end
#
# 1 CYS QB 55 VAL QG2 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= 8, 9,
igr2= 867, 868, 869,
&end
#
# 2 LYS+ HA 2 LYS+ QD 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 17, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 25, 26,
&end
#
# 2 LYS+ HA 2 LYS+ QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 17, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 28, 29,
&end
#
# 2 LYS+ HA 2 LYS+ QG 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 17, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 22, 23,
&end
#
# 2 LYS+ HA 3 MET HB2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 17, 41, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 2 LYS+ HA 3 MET HG3 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 17, 45, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 2 LYS+ HA 3 MET HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 17, 37, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 2 LYS+ HA 48 THR HA 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 17, 762, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 2 LYS+ HA 48 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 17, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 766, 767, 768,
&end
#
# 2 LYS+ HA 49 PHE HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 17, 774, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 2 LYS+ HB2 3 MET HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 19, 37, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 2 LYS+ HB2 76 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1201,1202,1203,
&end
#
# 2 LYS+ HB3 3 MET HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 20, 37, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 2 LYS+ HB3 76 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 20, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1201,1202,1203,
&end
#
# 2 LYS+ HE2 46 PHE QD 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 28, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 732, 740,
&end
#
# 2 LYS+ HE3 46 PHE QD 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 29, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 732, 740,
&end
#
# 2 LYS+ HG2 2 LYS+ HE2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 22, 28, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 2 LYS+ HG2 2 LYS+ HE3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 22, 29, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 2 LYS+ HG2 3 MET HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 22, 37, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 2 LYS+ HG2 46 PHE QD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 732, 740,
&end
#
# 2 LYS+ HG3 2 LYS+ HE2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 23, 28, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 2 LYS+ HG3 2 LYS+ HE3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 23, 29, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 2 LYS+ HG3 3 MET HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 23, 37, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 2 LYS+ HG3 46 PHE QD 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 732, 740,
&end
#
# 2 LYS+ HN 2 LYS+ HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 15, 19, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 2 LYS+ HN 2 LYS+ HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 15, 20, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 2 LYS+ HN 2 LYS+ QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 19, 20,
&end
#
# 2 LYS+ HN 2 LYS+ QG 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 22, 23,
&end
#
# 2 LYS+ HN 76 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 15, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1201,1202,1203,
&end
#
# 2 LYS+ QB 2 LYS+ 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= 19, 20,
igr2= 25, 26,
&end
#
# 2 LYS+ QB 2 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= 19, 20,
igr2= 28, 29,
&end
#
# 2 LYS+ QB 48 THR QG2 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= 19, 20,
igr2= 766, 767, 768,
&end
#
# 2 LYS+ QB 76 ALA QB 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= 19, 20,
igr2=1201,1202,1203,
&end
#
# 2 LYS+ QE 46 PHE HB2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 28, 29,
&end
#
# 2 LYS+ QE 46 PHE HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 28, 29,
&end
#
# 2 LYS+ QE 47 VAL HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 28, 29,
&end
#
# 2 LYS+ QG 2 LYS+ QE 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 22, 23,
igr2= 28, 29,
&end
#
# 2 LYS+ QG 3 MET HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 37, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 22, 23,
&end
#
# 2 LYS+ QG 46 PHE HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 22, 23,
&end
#
# 2 LYS+ QG 46 PHE HB2 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 22, 23,
&end
#
# 2 LYS+ QG 46 PHE HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 22, 23,
&end
#
# 2 LYS+ QG 46 PHE QD 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 22, 23,
igr2= 732, 740,
&end
#
# 2 LYS+ QG 47 VAL HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 22, 23,
&end
#
# 2 LYS+ QG 48 THR HA 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 762, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 22, 23,
&end
#
# 3 MET HA 3 MET HG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 39, 44, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 3 MET HA 3 MET HG3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 39, 45, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 3 MET HA 3 MET QE 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 48, 49, 50,
&end
#
# 3 MET HA 4 PHE HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 39, 54, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 3 MET HA 75 VAL HA 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 39,1183, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 3 MET HA 75 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1187,1188,1189,
&end
#
# 3 MET HA 75 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1191,1192,1193,
&end
#
# 3 MET HA 75 VAL QQG 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 3 MET HA 76 ALA HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 39,1197, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 3 MET HA 76 ALA QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1201,1202,1203,
&end
#
# 3 MET HB2 47 VAL HB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 41, 748, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 3 MET HB2 47 VAL HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 41, 744, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 3 MET HB2 47 VAL QG2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 754, 755, 756,
&end
#
# 3 MET HB2 4 PHE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 41, 54, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 3 MET HB2 5 ILE QD1 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 87, 88, 89,
&end
#
# 3 MET HB3 3 MET QE 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 48, 49, 50,
&end
#
# 3 MET HB3 47 VAL HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 42, 748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 3 MET HB3 4 PHE HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 42, 54, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 3 MET HB3 58 VAL QG1 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 913, 914, 915,
&end
#
# 3 MET HB3 5 ILE HG12 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= 42, 84, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 3 MET HB3 5 ILE QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 87, 88, 89,
&end
#
# 3 MET HB3 74 LYS+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 42,1159, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 3 MET HB3 75 VAL HA 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 42,1183, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 3 MET HG2 3 MET QE 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 48, 49, 50,
&end
#
# 3 MET HG2 49 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 782, 790,
&end
#
# 3 MET HG2 49 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 788,
&end
#
# 3 MET HG2 4 PHE HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 44, 54, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 3 MET HG2 55 VAL QG1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 863, 864, 865,
&end
#
# 3 MET HG2 55 VAL QG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 867, 868, 869,
&end
#
# 3 MET HG2 75 VAL HA 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 44,1183, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 3 MET HG2 75 VAL QG1 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1187,1188,1189,
&end
#
# 3 MET HG2 75 VAL QG2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1191,1192,1193,
&end
#
# 3 MET HG2 75 VAL QQG 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 3 MET HG2 76 ALA QB 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 44, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1201,1202,1203,
&end
#
# 3 MET HG3 3 MET QE 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 48, 49, 50,
&end
#
# 3 MET HG3 49 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 45, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 MET HG3 49 PHE QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 782, 790,
&end
#
# 3 MET HG3 49 PHE QE 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 784, 788,
&end
#
# 3 MET HG3 4 PHE HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 45, 54, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 3 MET HG3 55 VAL QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 863, 864, 865,
&end
#
# 3 MET HG3 55 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 867, 868, 869,
&end
#
# 3 MET HG3 5 ILE QD1 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 87, 88, 89,
&end
#
# 3 MET HG3 75 VAL HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 45,1183, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 3 MET HG3 75 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1187,1188,1189,
&end
#
# 3 MET HG3 75 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1191,1192,1193,
&end
#
# 3 MET HG3 75 VAL QQG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 3 MET HG3 76 ALA QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1201,1202,1203,
&end
#
# 3 MET HN 3 MET HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 37, 41, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 3 MET HN 3 MET HG2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 37, 44, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 3 MET HN 3 MET HG3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 37, 45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 3 MET HN 46 PHE HA 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 37, 726, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 3 MET HN 47 VAL HB 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 37, 748, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 3 MET HN 47 VAL HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 37, 744, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 3 MET HN 47 VAL QG1 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 750, 751, 752,
&end
#
# 3 MET HN 48 THR HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 37, 762, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 3 MET HN 4 PHE HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 37, 54, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 3 MET HN 5 ILE QD1 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 87, 88, 89,
&end
#
# 3 MET HN 76 ALA QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 37, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1201,1202,1203,
&end
#
# 3 MET QE 21 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 48, 49, 50,
igr2= 334, 338,
&end
#
# 3 MET QE 49 PHE QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 48, 49, 50,
igr2= 784, 788,
&end
#
# 3 MET QE 55 VAL HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 55 VAL QG1 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 48, 49, 50,
igr2= 863, 864, 865,
&end
#
# 3 MET QE 55 VAL QG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 48, 49, 50,
igr2= 867, 868, 869,
&end
#
# 3 MET QE 58 VAL HA 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 58 VAL HB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 58 VAL HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 58 VAL QG1 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= 48, 49, 50,
igr2= 913, 914, 915,
&end
#
# 3 MET QE 59 LEU HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 59 LEU HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 59 LEU QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 48, 49, 50,
igr2= 932, 933, 934,
&end
#
# 3 MET QE 59 LEU QD2 1.80 2.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr1= 48, 49, 50,
igr2= 936, 937, 938,
&end
#
# 3 MET QE 5 ILE QD1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 48, 49, 50,
igr2= 87, 88, 89,
&end
#
# 3 MET QE 73 PRO HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 74 LYS+ HA 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 74 LYS+ HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 75 VAL HA 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 75 VAL HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 48, 49, 50,
&end
#
# 3 MET QE 75 VAL QQG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 48, 49, 50,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 3 MET QE 76 ALA HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 48, 49, 50,
&end
#
# 4 PHE HA 46 PHE HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 56, 726, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 4 PHE HA 46 PHE QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 732, 740,
&end
#
# 4 PHE HA 46 PHE QE 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 734, 738,
&end
#
# 4 PHE HA 47 VAL HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 56, 744, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 4 PHE HA 5 ILE HG12 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 56, 84, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 4 PHE HA 5 ILE HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 56, 74, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 4 PHE HA 5 ILE QD1 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 87, 88, 89,
&end
#
# 4 PHE HA 76 ALA QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1201,1202,1203,
&end
#
# 4 PHE HB2 46 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 58, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 4 PHE HB2 46 PHE QD 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 732, 740,
&end
#
# 4 PHE HB2 46 PHE QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 734, 738,
&end
#
# 4 PHE HB2 5 ILE HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 58, 74, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 4 PHE HB2 76 ALA QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1201,1202,1203,
&end
#
# 4 PHE HB3 5 ILE HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 59, 74, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 4 PHE HB3 74 LYS+ HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 59,1159, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 4 PHE HB3 74 LYS+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1163,1164,
&end
#
# 4 PHE HB3 74 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1169,1170,
&end
#
# 4 PHE HB3 74 LYS+ QG 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1166,1167,
&end
#
# 4 PHE HB3 76 ALA QB 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1201,1202,1203,
&end
#
# 4 PHE HN 46 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 732, 740,
&end
#
# 4 PHE HN 4 PHE HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 54, 58, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 4 PHE HN 4 PHE HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 54, 59, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 4 PHE HN 74 LYS+ HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 54,1159, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 4 PHE HN 75 VAL HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 54,1183, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 4 PHE HN 76 ALA HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 54,1197, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 4 PHE HN 76 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1201,1202,1203,
&end
#
# 4 PHE HZ 44 PHE HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 66, 701, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 4 PHE HZ 44 PHE HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 66, 702, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 4 PHE HZ 6 GLY HA2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 66, 95, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 4 PHE HZ 6 GLY HA3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 66, 96, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 5 ILE HA 5 ILE QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 87, 88, 89,
&end
#
# 5 ILE HA 5 ILE QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 76, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 80, 81, 82,
&end
#
# 5 ILE HA 6 GLY HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 76, 93, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 5 ILE HA 73 PRO HA 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 76,1155, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 5 ILE HA 73 PRO HB2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 76,1152, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 5 ILE HA 73 PRO HB3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 76,1153, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 5 ILE HA 74 LYS+ HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 76,1159, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 5 ILE HB 17 LEU QD1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 254, 255, 256,
&end
#
# 5 ILE HB 45 GLY HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 78, 717, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 5 ILE HB 46 PHE HA 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= 78, 726, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 5 ILE HB 46 PHE HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 78, 724, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 5 ILE HB 5 ILE QD1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 87, 88, 89,
&end
#
# 5 ILE HB 8 LEU QD1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 116, 117, 118,
&end
#
# 5 ILE HB 8 LEU QD2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 78, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 120, 121, 122,
&end
#
# 5 ILE HG12 21 PHE QE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 334, 338,
&end
#
# 5 ILE HG12 46 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 84, 726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 5 ILE HG12 46 PHE HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 84, 724, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 5 ILE HG12 47 VAL HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 84, 744, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 5 ILE HG12 47 VAL QG2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 754, 755, 756,
&end
#
# 5 ILE HG12 8 LEU QQD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 5 ILE HG13 21 PHE HZ 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 85, 336, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 5 ILE HG13 21 PHE QD 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 332, 340,
&end
#
# 5 ILE HG13 21 PHE QE 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 334, 338,
&end
#
# 5 ILE HG13 31 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 85, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 5 ILE HG13 45 GLY HA3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 85, 720, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 5 ILE HG13 46 PHE HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 85, 726, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 5 ILE HG13 46 PHE HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 85, 724, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 5 ILE HG13 47 VAL HB 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 85, 748, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 5 ILE HG13 47 VAL QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 754, 755, 756,
&end
#
# 5 ILE HG13 73 PRO HB3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 85,1153, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 5 ILE HN 45 GLY HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 74, 717, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 5 ILE HN 46 PHE HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 74, 726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 5 ILE HN 46 PHE QD 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 732, 740,
&end
#
# 5 ILE HN 5 ILE HB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 74, 78, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 5 ILE HN 5 ILE HG12 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 74, 84, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 5 ILE HN 5 ILE HG13 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 74, 85, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 5 ILE HN 5 ILE QD1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 87, 88, 89,
&end
#
# 5 ILE HN 5 ILE QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 80, 81, 82,
&end
#
# 5 ILE QD1 17 LEU QD1 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr1= 87, 88, 89,
igr2= 254, 255, 256,
&end
#
# 5 ILE QD1 21 PHE HZ 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 21 PHE QD 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 87, 88, 89,
igr2= 332, 340,
&end
#
# 5 ILE QD1 21 PHE QE 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 87, 88, 89,
igr2= 334, 338,
&end
#
# 5 ILE QD1 46 PHE HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 47 VAL HB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 47 VAL HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 47 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 87, 88, 89,
igr2= 754, 755, 756,
&end
#
# 5 ILE QD1 6 GLY HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 73 PRO HA 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 73 PRO HB2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 73 PRO HB3 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 73 PRO HG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 73 PRO HG3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 87, 88, 89,
&end
#
# 5 ILE QD1 74 LYS+ HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 87, 88, 89,
&end
#
# 5 ILE QG2 21 PHE HZ 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 21 PHE QD 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 80, 81, 82,
igr2= 332, 340,
&end
#
# 5 ILE QG2 21 PHE QE 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= 80, 81, 82,
igr2= 334, 338,
&end
#
# 5 ILE QG2 44 PHE HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 45 GLY HA3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 45 GLY HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 47 VAL HB 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 5 ILE HG12 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 84, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 5 ILE QD1 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 80, 81, 82,
igr2= 87, 88, 89,
&end
#
# 5 ILE QG2 6 GLY HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 71 ILE HB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 72 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 73 PRO HA 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 73 PRO HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 73 PRO HB3 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 73 PRO HD3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 73 PRO HG3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 74 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 8 LEU HG 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 80, 81, 82,
&end
#
# 5 ILE QG2 8 LEU QQD 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 80, 81, 82,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 6 GLY HN 72 ASP- HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 93,1133, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 6 GLY HN 72 ASP- QB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2=1137,1138,
&end
#
# 6 GLY HN 73 PRO HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 93,1155, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 6 GLY HN 8 LEU QQD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 6 GLY QA 44 PHE HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 95, 96,
&end
#
# 6 GLY QA 44 PHE HB2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 95, 96,
&end
#
# 6 GLY QA 44 PHE HB3 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 702, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 95, 96,
&end
#
# 6 GLY QA 7 GLY QA 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 95, 96,
igr2= 102, 103,
&end
#
# 7 GLY HN 8 LEU HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 100, 107, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 7 GLY QA 43 GLY QA 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= 102, 103,
igr2= 692, 693,
&end
#
# 8 LEU HA 12 THR QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 184, 185, 186,
&end
#
# 8 LEU HA 69 LYS+ HB3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 109,1083, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 8 LEU HA 71 ILE QG2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1120,1121,1122,
&end
#
# 8 LEU HA 8 LEU QD1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 116, 117, 118,
&end
#
# 8 LEU HA 8 LEU QD2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 120, 121, 122,
&end
#
# 8 LEU HA 8 LEU QQD 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU HA 9 SER HN 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 8 LEU HB2 12 THR HB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 111, 182, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 8 LEU HB2 8 LEU QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 116, 117, 118,
&end
#
# 8 LEU HB2 8 LEU QD2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 111, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 120, 121, 122,
&end
#
# 8 LEU HB2 9 SER HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 111, 126, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 8 LEU HB3 12 THR HB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 112, 182, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 8 LEU HB3 8 LEU QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 116, 117, 118,
&end
#
# 8 LEU HB3 8 LEU QD2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 120, 121, 122,
&end
#
# 8 LEU HB3 9 SER HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 112, 126, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 8 LEU HG 44 PHE HA 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 114, 699, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 8 LEU HG 71 ILE QD1 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1127,1128,1129,
&end
#
# 8 LEU HG 71 ILE QG2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1120,1121,1122,
&end
#
# 8 LEU HN 43 GLY HA2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 107, 692, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 8 LEU HN 43 GLY HA3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 107, 693, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 8 LEU HN 43 GLY QA 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 692, 693,
&end
#
# 8 LEU HN 44 PHE HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 107, 699, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 8 LEU HN 71 ILE QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1120,1121,1122,
&end
#
# 8 LEU HN 8 LEU HG 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 8 LEU HN 8 LEU QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 111, 112,
&end
#
# 8 LEU HN 8 LEU QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 116, 117, 118,
&end
#
# 8 LEU HN 8 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 120, 121, 122,
&end
#
# 8 LEU HN 8 LEU QQD 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU HN 9 SER HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 8 LEU QB 12 THR HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 111, 112,
&end
#
# 8 LEU QB 43 GLY QA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 111, 112,
igr2= 692, 693,
&end
#
# 8 LEU QB 44 PHE HA 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 111, 112,
&end
#
# 8 LEU QB 8 LEU QQD 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 111, 112,
igr2= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QB 9 SER HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 111, 112,
&end
#
# 8 LEU QD1 12 THR HB 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 116, 117, 118,
&end
#
# 8 LEU QD1 12 THR QG2 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= 116, 117, 118,
igr2= 184, 185, 186,
&end
#
# 8 LEU QD1 17 LEU QD2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 116, 117, 118,
igr2= 258, 259, 260,
&end
#
# 8 LEU QD1 44 PHE HA 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 116, 117, 118,
&end
#
# 8 LEU QD2 12 THR HB 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 120, 121, 122,
&end
#
# 8 LEU QD2 12 THR QG2 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= 120, 121, 122,
igr2= 184, 185, 186,
&end
#
# 8 LEU QD2 17 LEU QD2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr1= 120, 121, 122,
igr2= 258, 259, 260,
&end
#
# 8 LEU QD2 44 PHE HA 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 120, 121, 122,
&end
#
# 8 LEU QQD 12 THR HB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 182, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 17 LEU QD2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 116, 117, 118, 120, 121, 122,
igr2= 258, 259, 260,
&end
#
# 8 LEU QQD 32 VAL HA 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 44 PHE HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 44 PHE HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 45 GLY HA2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 45 GLY HA3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 45 GLY HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 71 ILE HA 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 71 ILE HB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1118, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 71 ILE QG2 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 116, 117, 118, 120, 121, 122,
igr2=1120,1121,1122,
&end
#
# 8 LEU QQD 72 ASP- HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 8 LEU QQD 9 SER HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 116, 117, 118, 120, 121, 122,
&end
#
# 9 SER HA 10 TRP QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 141, 142,
&end
#
# 9 SER HA 11 GLN HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 128, 161, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 9 SER HA 69 LYS+ HG3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 128,1086, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 9 SER HA 69 LYS+ QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1088,1089,
&end
#
# 9 SER HB2 12 THR HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 130, 178, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 9 SER HB2 67 ASP- HB2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 130,1059, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 SER HB2 67 ASP- HB3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 130,1060, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 SER HB2 69 LYS+ HG3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 130,1086, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 9 SER HB3 12 THR HN 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 131, 178, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 9 SER HB3 67 ASP- HB2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 131,1059, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 SER HB3 67 ASP- HB3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 131,1060, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 SER HB3 69 LYS+ HG3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 131,1086, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 9 SER HN 69 LYS+ HB2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 126,1082, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 SER HN 71 ILE QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1120,1121,1122,
&end
#
# 9 SER HN 9 SER HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 SER HN 9 SER HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 SER HN 9 SER QB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 130, 131,
&end
#
# 9 SER QB 11 GLN QB 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 130, 131,
igr2= 165, 166,
&end
#
# 9 SER QB 12 THR HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 130, 131,
&end
#
# 9 SER QB 67 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= 130, 131,
igr2=1059,1060,
&end
#
# 9 SER QB 69 LYS+ HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 130, 131,
&end
#
# 9 SER QB 69 LYS+ HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1083, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 130, 131,
&end
#
# 9 SER QB 69 LYS+ HG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 130, 131,
&end
#
# 9 SER QB 69 LYS+ HG3 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 130, 131,
&end
#
# 9 SER QB 69 LYS+ HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 130, 131,
&end
#
# 10 TRP HA 10 TRP HD1 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 10 TRP HA 10 TRP HD1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 10 TRP HA 41 SER HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 139, 659, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 TRP HA 41 SER HB3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 139, 660, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 10 TRP HA 41 SER QB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 659, 660,
&end
#
# 10 TRP HA 41 SER QB 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 139, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 659, 660,
&end
#
# 10 TRP HD1 41 ARG HA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat= 145, 657, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 10 TRP HD1 41 SER QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 659, 660,
&end
#
# 10 TRP HD1 43 GLY HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 145, 690, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 10 TRP HD1 43 GLY QA 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 692, 693,
&end
#
# 10 TRP HN 10 TRP HD1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 137, 145, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 10 TRP HN 10 TRP HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 137, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 TRP HN 10 TRP QB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 137, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 141, 142,
&end
#
# 10 TRP HN 11 GLN HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 137, 161, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 10 TRP HN 69 LYS+ HG3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 137,1086, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 10 TRP QB 10 TRP HE3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 156, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 141, 142,
&end
#
# 10 TRP QB 11 GLN HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 161, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 141, 142,
&end
#
# 10 TRP QB 41 SER QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 141, 142,
igr2= 659, 660,
&end
#
# 11 GLN HA 10 TRP QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 141, 142,
&end
#
# 11 GLN HA 11 GLN HG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 11 GLN HA 11 GLN HG3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 11 GLN HN 11 GLN QB 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 165, 166,
&end
#
# 11 GLN HN 11 GLN QG 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 168, 169,
&end
#
# 11 GLN HN 12 THR HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 161, 180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 GLN HN 12 THR HB 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 161, 182, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 11 GLN HN 12 THR HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 161, 178, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 12 THR HA 12 THR QG2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 184, 185, 186,
&end
#
# 12 THR HA 13 THR HN 1.80 2.73
&rst
ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 12 THR HA 13 THR QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 198, 199, 200,
&end
#
# 12 THR HA 32 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 503, 504, 505,
&end
#
# 12 THR HA 66 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 12 THR HB 13 THR HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 12 THR HB 32 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 503, 504, 505,
&end
#
# 12 THR HN 12 THR HB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 12 THR HN 12 THR QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 184, 185, 186,
&end
#
# 12 THR HN 13 THR HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 178, 192, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 12 THR QG2 13 THR HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 16 GLY HA3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 241, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 16 GLY HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 17 LEU HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 247, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 17 LEU HG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, 252, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 17 LEU HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 245, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 17 LEU QD1 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 184, 185, 186,
igr2= 254, 255, 256,
&end
#
# 12 THR QG2 17 LEU QD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 184, 185, 186,
igr2= 258, 259, 260,
&end
#
# 12 THR QG2 32 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 184, 185, 186,
igr2= 503, 504, 505,
&end
#
# 12 THR QG2 66 LEU HG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 184, 185, 186,
&end
#
# 12 THR QG2 66 LEU QD2 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= 184, 185, 186,
igr2=1049,1050,1051,
&end
#
# 13 THR HA 13 THR QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 198, 199, 200,
&end
#
# 13 THR HA 14 GLN HA 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 13 THR HA 14 GLN HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 194, 206, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 13 THR HA 15 GLU- HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 194, 223, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 13 THR HA 32 VAL QG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 503, 504, 505,
&end
#
# 13 THR HB 14 GLN HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 196, 206, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 13 THR HB 15 GLU- HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 196, 223, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 13 THR HG1 15 GLU- HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 202, 223, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 13 THR HG1 16 GLY HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 202, 238, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 13 THR HN 13 THR HG1 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 13 THR HN 13 THR QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 198, 199, 200,
&end
#
# 13 THR HN 16 GLY HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 192, 238, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 13 THR HN 32 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 503, 504, 505,
&end
#
# 13 THR QG2 14 GLN HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 206, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 198, 199, 200,
&end
#
# 13 THR QG2 15 GLU- HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 198, 199, 200,
&end
#
# 13 THR QG2 15 GLU- QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 198, 199, 200,
igr2= 227, 228,
&end
#
# 13 THR QG2 16 GLY HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 198, 199, 200,
&end
#
# 13 THR QG2 32 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 198, 199, 200,
igr2= 503, 504, 505,
&end
#
# 14 GLN HA 14 GLN QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 213, 214,
&end
#
# 14 GLN HA 16 GLY HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 208, 238, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 14 GLN HA 17 LEU HB2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 208, 249, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 14 GLN HA 17 LEU HB3 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 208, 250, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 14 GLN HA 17 LEU HG 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 208, 252, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 14 GLN HA 17 LEU HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 208, 245, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 14 GLN HA 17 LEU QD1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 254, 255, 256,
&end
#
# 14 GLN HA 17 LEU QD2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 258, 259, 260,
&end
#
# 14 GLN HA 30 CYS QB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 467, 468,
&end
#
# 14 GLN HA 31 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 208, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HA 32 VAL QG2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 503, 504, 505,
&end
#
# 14 GLN HB2 14 GLN HE21 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 210, 218, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 GLN HB2 14 GLN HE22 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 210, 219, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 14 GLN HB2 14 GLN QE2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 218, 219,
&end
#
# 14 GLN HB2 15 GLU- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 210, 223, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 14 GLN HB2 30 CYS QB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 467, 468,
&end
#
# 14 GLN HB2 31 LEU QQD 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 14 GLN HB2 32 VAL HN 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 210, 493, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 14 GLN HB2 32 VAL QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 503, 504, 505,
&end
#
# 14 GLN HB3 14 GLN QE2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 218, 219,
&end
#
# 14 GLN HB3 15 GLU- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 211, 223, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 14 GLN HB3 30 CYS QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 467, 468,
&end
#
# 14 GLN HB3 32 VAL HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 211, 493, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 14 GLN HB3 32 VAL QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 503, 504, 505,
&end
#
# 14 GLN HN 14 GLN HB2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 14 GLN HN 14 GLN HB3 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 14 GLN HN 14 GLN QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 213, 214,
&end
#
# 14 GLN HN 15 GLU- HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 206, 223, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 14 GLN HN 16 GLY HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 206, 238, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 14 GLN HN 17 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HN 32 VAL HB 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 206, 497, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 14 GLN HN 32 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 206, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HN 32 VAL QG2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 503, 504, 505,
&end
#
# 14 GLN QE2 31 LEU QQD 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 218, 219,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 14 GLN QE2 32 VAL HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 218, 219,
&end
#
# 14 GLN QG 14 GLN HE21 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 213, 214,
&end
#
# 14 GLN QG 14 GLN HE22 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 213, 214,
&end
#
# 14 GLN QG 14 GLN QE2 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 213, 214,
igr2= 218, 219,
&end
#
# 14 GLN QG 15 GLU- HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 213, 214,
&end
#
# 14 GLN QG 15 GLU- HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 213, 214,
&end
#
# 14 GLN QG 31 LEU HA 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 213, 214,
&end
#
# 14 GLN QG 31 LEU QQD 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
igr1= 213, 214,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 14 GLN QG 32 VAL HB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 497, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 213, 214,
&end
#
# 14 GLN QG 32 VAL HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 213, 214,
&end
#
# 14 GLN QG 32 VAL QG1 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 213, 214,
igr2= 499, 500, 501,
&end
#
# 14 GLN QG 32 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= 213, 214,
igr2= 503, 504, 505,
&end
#
# 15 GLU- HA 15 GLU- HG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 225, 230, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 15 GLU- HA 15 GLU- HG3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 225, 231, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 15 GLU- HA 15 GLU- QG 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 230, 231,
&end
#
# 15 GLU- HA 17 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLU- HA 18 ARG+ HD2 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 225, 274, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 15 GLU- HA 18 ARG+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 225, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 GLU- HA 18 ARG+ HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 225, 264, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 15 GLU- HA 18 ARG+ QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 268, 269,
&end
#
# 15 GLU- HB2 16 GLY HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 227, 238, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 15 GLU- HB3 16 GLY HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 15 GLU- HN 15 GLU- HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 GLU- HN 15 GLU- HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 223, 228, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 15 GLU- HN 15 GLU- HG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 223, 230, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 15 GLU- HN 15 GLU- HG3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 223, 231, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 15 GLU- HN 15 GLU- QB 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr2= 227, 228,
&end
#
# 15 GLU- HN 15 GLU- QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 230, 231,
&end
#
# 15 GLU- HN 16 GLY HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 223, 238, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 15 GLU- QB 16 GLY HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 227, 228,
&end
#
# 15 GLU- QG 16 GLY HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 238, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 230, 231,
&end
#
# 16 GLY HA2 19 GLU- HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 240, 292, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 16 GLY HA2 19 GLU- HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 240, 293, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 16 GLY HA2 19 GLU- HG2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 240, 295, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 16 GLY HA2 19 GLU- HG3 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 240, 296, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 16 GLY HA2 19 GLU- HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 240, 288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 16 GLY HA2 19 GLU- QG 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 295, 296,
&end
#
# 16 GLY HA2 20 TYR HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 240, 303, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 16 GLY HA2 66 LEU QD1 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 240, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2=1045,1046,1047,
&end
#
# 16 GLY HA3 19 GLU- HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 241, 292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 16 GLY HA3 19 GLU- HB3 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 241, 293, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 16 GLY HA3 19 GLU- HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 241, 288, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 16 GLY HA3 20 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 241, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLY HN 17 LEU HG 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 16 GLY HN 17 LEU HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 238, 245, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 16 GLY HN 17 LEU QD2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 258, 259, 260,
&end
#
# 17 LEU HA 17 LEU HG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 17 LEU HA 17 LEU QD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 254, 255, 256,
&end
#
# 17 LEU HA 17 LEU QD2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 258, 259, 260,
&end
#
# 17 LEU HA 19 GLU- HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 247, 288, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 17 LEU HA 20 TYR HB2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 247, 307, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 17 LEU HA 20 TYR HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 247, 308, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 17 LEU HA 20 TYR HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 247, 303, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 17 LEU HA 21 PHE HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 247, 324, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 17 LEU HA 21 PHE QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 332, 340,
&end
#
# 17 LEU HA 21 PHE QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 334, 338,
&end
#
# 17 LEU HA 66 LEU QD1 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1045,1046,1047,
&end
#
# 17 LEU HA 66 LEU QD2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 247, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1049,1050,1051,
&end
#
# 17 LEU HB2 17 LEU QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 254, 255, 256,
&end
#
# 17 LEU HB2 18 ARG+ HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 249, 264, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 17 LEU HB2 19 GLU- HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 249, 288, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 17 LEU HB2 21 PHE QD 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 332, 340,
&end
#
# 17 LEU HB2 30 CYS QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 467, 468,
&end
#
# 17 LEU HB2 47 VAL QG1 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 750, 751, 752,
&end
#
# 17 LEU HB2 47 VAL QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 754, 755, 756,
&end
#
# 17 LEU HB3 17 LEU QD1 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 254, 255, 256,
&end
#
# 17 LEU HB3 18 ARG+ HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 250, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 17 LEU HB3 21 PHE QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 332, 340,
&end
#
# 17 LEU HB3 30 CYS QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 467, 468,
&end
#
# 17 LEU HB3 47 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 250, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 754, 755, 756,
&end
#
# 17 LEU HG 18 ARG+ HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 252, 264, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 17 LEU HG 30 CYS QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 467, 468,
&end
#
# 17 LEU HG 31 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 252, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 LEU HN 17 LEU HB2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 245, 249, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 17 LEU HN 17 LEU HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 245, 250, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 17 LEU HN 17 LEU HG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 245, 252, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 LEU HN 17 LEU QD1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 254, 255, 256,
&end
#
# 17 LEU HN 17 LEU QD2 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 258, 259, 260,
&end
#
# 17 LEU HN 18 ARG+ HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 245, 264, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 17 LEU HN 18 ARG+ QB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 268, 269,
&end
#
# 17 LEU HN 32 VAL QG2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 503, 504, 505,
&end
#
# 17 LEU HN 66 LEU QD2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 245, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1049,1050,1051,
&end
#
# 17 LEU QD1 21 PHE QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 254, 255, 256,
igr2= 332, 340,
&end
#
# 17 LEU QD1 21 PHE QE 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= 254, 255, 256,
igr2= 334, 338,
&end
#
# 17 LEU QD1 30 CYS QB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 254, 255, 256,
igr2= 467, 468,
&end
#
# 17 LEU QD1 31 LEU HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 254, 255, 256,
&end
#
# 17 LEU QD1 45 GLY HA3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 254, 255, 256,
&end
#
# 17 LEU QD1 46 PHE HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 254, 255, 256,
&end
#
# 17 LEU QD1 47 VAL QG1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
igr1= 254, 255, 256,
igr2= 750, 751, 752,
&end
#
# 17 LEU QD2 20 TYR HB3 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 258, 259, 260,
&end
#
# 17 LEU QD2 21 PHE 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= 258, 259, 260,
igr2= 332, 340,
&end
#
# 17 LEU QD2 30 CYS 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= 258, 259, 260,
igr2= 467, 468,
&end
#
# 17 LEU QD2 32 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 258, 259, 260,
igr2= 503, 504, 505,
&end
#
# 17 LEU QD2 47 VAL QG2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 258, 259, 260,
igr2= 754, 755, 756,
&end
#
# 17 LEU QD2 66 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 258, 259, 260,
igr2=1049,1050,1051,
&end
#
# 18 ARG+ HA 18 ARG+ HD2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 266, 274, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 18 ARG+ HA 18 ARG+ HD3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 266, 275, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 18 ARG+ HA 18 ARG+ HG2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 18 ARG+ HA 18 ARG+ HG3 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 18 ARG+ HA 18 ARG+ QB 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 268, 269,
&end
#
# 18 ARG+ HA 19 GLU- HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 18 ARG+ HA 20 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 266, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG+ HA 21 PHE HB2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 266, 328, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 18 ARG+ HA 21 PHE HB3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 266, 329, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 18 ARG+ HA 21 PHE HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 266, 324, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 18 ARG+ HA 22 GLY HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 266, 344, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 18 ARG+ HA 27 VAL QG1 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 416, 417, 418,
&end
#
# 18 ARG+ HA 27 VAL QG2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 420, 421, 422,
&end
#
# 18 ARG+ HA 30 CYS QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 467, 468,
&end
#
# 18 ARG+ HA 47 VAL QG1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 750, 751, 752,
&end
#
# 18 ARG+ HA 47 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 754, 755, 756,
&end
#
# 18 ARG+ HD2 19 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG+ HD2 27 VAL QG1 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 416, 417, 418,
&end
#
# 18 ARG+ HD2 27 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 420, 421, 422,
&end
#
# 18 ARG+ HD2 30 CYS QB 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 467, 468,
&end
#
# 18 ARG+ HD3 19 GLU- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 ARG+ HD3 19 GLU- HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 275, 288, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 18 ARG+ HD3 27 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 18 ARG+ HD3 27 VAL QG2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 420, 421, 422,
&end
#
# 18 ARG+ HG2 19 GLU- HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 271, 290, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 ARG+ HG2 19 GLU- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 271, 288, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 18 ARG+ HG3 22 GLY QA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 346, 347,
&end
#
# 18 ARG+ HG3 27 VAL QG1 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 416, 417, 418,
&end
#
# 18 ARG+ HG3 27 VAL QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 420, 421, 422,
&end
#
# 18 ARG+ HG3 30 CYS QB 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 467, 468,
&end
#
# 18 ARG+ HN 18 ARG+ HD2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 264, 274, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 18 ARG+ HN 18 ARG+ HD3 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 264, 275, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 18 ARG+ HN 18 ARG+ HG3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 18 ARG+ HN 18 ARG+ QB 1.80 2.76
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
igr2= 268, 269,
&end
#
# 18 ARG+ HN 27 VAL QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 420, 421, 422,
&end
#
# 18 ARG+ HN 30 CYS QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 467, 468,
&end
#
# 18 ARG+ QB 18 ARG+ HD2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 274, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 268, 269,
&end
#
# 18 ARG+ QB 18 ARG+ HD3 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 268, 269,
&end
#
# 18 ARG+ QB 18 ARG+ HE 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 277, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 268, 269,
&end
#
# 18 ARG+ QB 19 GLU- HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 288, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr1= 268, 269,
&end
#
# 18 ARG+ QB 27 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 268, 269,
igr2= 420, 421, 422,
&end
#
# 18 ARG+ QB 30 CYS QB 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= 268, 269,
igr2= 467, 468,
&end
#
# 19 GLU- HA 19 GLU- HG2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 19 GLU- HA 19 GLU- HG3 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 290, 296, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 19 GLU- HA 22 GLY HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 290, 344, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 GLU- HB2 20 TYR HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 19 GLU- HB3 20 TYR HA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 293, 305, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 GLU- HB3 20 TYR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 19 GLU- HG2 20 TYR HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 295, 303, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 19 GLU- HG3 20 TYR HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 296, 303, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 19 GLU- HN 19 GLU- HB2 1.80 2.74
&rst
ixpk= 0, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 19 GLU- HN 19 GLU- HB3 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 19 GLU- HN 19 GLU- HG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 288, 295, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 GLU- HN 19 GLU- HG3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 288, 296, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 19 GLU- HN 19 GLU- QG 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 295, 296,
&end
#
# 19 GLU- HN 20 TYR HB3 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 288, 308, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 19 GLU- HN 20 TYR HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 288, 303, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 19 GLU- QG 20 TYR HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 295, 296,
&end
#
# 19 GLU- QG 20 TYR HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 295, 296,
&end
#
# 20 TYR HA 20 TYR QD 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 311, 320,
&end
#
# 20 TYR HA 20 TYR QE 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr2= 313, 318,
&end
#
# 20 TYR HA 23 GLN HG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 305, 358, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 20 TYR HA 23 GLN HG3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 305, 359, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 20 TYR HA 23 GLN QE2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 363, 364,
&end
#
# 20 TYR HA 23 GLN QG 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 358, 359,
&end
#
# 20 TYR HA 66 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HA 66 LEU QD1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1045,1046,1047,
&end
#
# 20 TYR HA 66 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1049,1050,1051,
&end
#
# 20 TYR HB2 21 PHE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 20 TYR HB2 66 LEU QD1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1045,1046,1047,
&end
#
# 20 TYR HB2 66 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1049,1050,1051,
&end
#
# 20 TYR HB3 21 PHE HB2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 308, 328, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 20 TYR HB3 21 PHE HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 20 TYR HB3 21 PHE QD 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 332, 340,
&end
#
# 20 TYR HB3 66 LEU QD1 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1045,1046,1047,
&end
#
# 20 TYR HB3 66 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1049,1050,1051,
&end
#
# 20 TYR HN 20 TYR HB2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 20 TYR HN 20 TYR HB3 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 20 TYR HN 20 TYR QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 311, 320,
&end
#
# 20 TYR HN 21 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 303, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 TYR HN 21 PHE HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 303, 324, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 20 TYR HN 21 PHE QD 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 332, 340,
&end
#
# 20 TYR HN 22 GLY HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 303, 344, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 TYR HN 66 LEU QD1 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1045,1046,1047,
&end
#
# 20 TYR HN 66 LEU QD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1049,1050,1051,
&end
#
# 20 TYR QD 21 PHE HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 311, 320,
&end
#
# 20 TYR QD 21 PHE QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 311, 320,
igr2= 332, 340,
&end
#
# 20 TYR QD 21 PHE QE 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 311, 320,
igr2= 334, 338,
&end
#
# 20 TYR QD 66 LEU HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 311, 320,
&end
#
# 20 TYR QD 66 LEU QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 311, 320,
igr2=1045,1046,1047,
&end
#
# 20 TYR QD 66 LEU QD2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 311, 320,
igr2=1049,1050,1051,
&end
#
# 20 TYR QD 71 ILE QD1 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 311, 320,
igr2=1127,1128,1129,
&end
#
# 20 TYR QE 21 PHE QD 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 313, 318,
igr2= 332, 340,
&end
#
# 20 TYR QE 21 PHE QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 313, 318,
igr2= 334, 338,
&end
#
# 20 TYR QE 23 GLN QG 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= 313, 318,
igr2= 358, 359,
&end
#
# 20 TYR QE 24 PHE HZ 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 313, 318,
&end
#
# 20 TYR QE 24 PHE QE 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 313, 318,
igr2= 378, 382,
&end
#
# 20 TYR QE 64 HIS HB2 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 313, 318,
&end
#
# 20 TYR QE 64 HIS HB3 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1009, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 313, 318,
&end
#
# 20 TYR QE 64 HIS QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 313, 318,
igr2=1008,1009,
&end
#
# 20 TYR QE 65 GLU- HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 313, 318,
&end
#
# 20 TYR QE 66 LEU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 313, 318,
&end
#
# 20 TYR QE 66 LEU QD1 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= 313, 318,
igr2=1045,1046,1047,
&end
#
# 20 TYR QE 71 ILE QD1 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 313, 318,
igr2=1127,1128,1129,
&end
#
# 21 PHE HA 21 PHE QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 332, 340,
&end
#
# 21 PHE HA 23 GLN HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 326, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 PHE HA 24 PHE HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 326, 372, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 21 PHE HA 24 PHE HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 326, 368, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 21 PHE HA 24 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 326, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HA 24 PHE QD 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 376, 384,
&end
#
# 21 PHE HA 24 PHE QE 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 378, 382,
&end
#
# 21 PHE HA 27 VAL QG1 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 416, 417, 418,
&end
#
# 21 PHE HA 49 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 326, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 PHE HA 58 VAL QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 917, 918, 919,
&end
#
# 21 PHE HB2 22 GLY HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 328, 344, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 21 PHE HB2 27 VAL QG1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 416, 417, 418,
&end
#
# 21 PHE HB2 27 VAL QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 420, 421, 422,
&end
#
# 21 PHE HB2 47 VAL QG1 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 750, 751, 752,
&end
#
# 21 PHE HB2 47 VAL QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 754, 755, 756,
&end
#
# 21 PHE HB2 49 PHE HZ 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 328, 786, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 21 PHE HB2 49 PHE QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 784, 788,
&end
#
# 21 PHE HB3 22 GLY HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 329, 344, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 21 PHE HB3 27 VAL QG1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 416, 417, 418,
&end
#
# 21 PHE HB3 27 VAL QG2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 420, 421, 422,
&end
#
# 21 PHE HB3 47 VAL QG1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 750, 751, 752,
&end
#
# 21 PHE HB3 47 VAL QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 754, 755, 756,
&end
#
# 21 PHE HB3 49 PHE HZ 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 329, 786, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 21 PHE HB3 49 PHE QD 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 782, 790,
&end
#
# 21 PHE HB3 49 PHE QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 329, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 784, 788,
&end
#
# 21 PHE HN 21 PHE HB2 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 324, 328, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 21 PHE HN 21 PHE HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 21 PHE HN 21 PHE QD 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 332, 340,
&end
#
# 21 PHE HN 21 PHE QE 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 334, 338,
&end
#
# 21 PHE HN 22 GLY HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 324, 344, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 21 PHE HN 23 GLN HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 324, 351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 21 PHE HN 27 VAL QG1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 416, 417, 418,
&end
#
# 21 PHE HN 66 LEU QD1 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1045,1046,1047,
&end
#
# 21 PHE HN 66 LEU QD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1049,1050,1051,
&end
#
# 21 PHE HZ 58 VAL QG1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 913, 914, 915,
&end
#
# 21 PHE HZ 71 ILE QD1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1127,1128,1129,
&end
#
# 21 PHE HZ 71 ILE QG2 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1120,1121,1122,
&end
#
# 21 PHE HZ 73 PRO HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 336,1153, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 21 PHE HZ 73 PRO HG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 336,1149, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 21 PHE HZ 73 PRO HG3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 336,1150, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 21 PHE QD 21 PHE HZ 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 332, 340,
&end
#
# 21 PHE QD 22 GLY HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 344, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 332, 340,
&end
#
# 21 PHE QD 24 PHE HB2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 332, 340,
&end
#
# 21 PHE QD 24 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 340,
&end
#
# 21 PHE QD 24 PHE QD 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 332, 340,
igr2= 376, 384,
&end
#
# 21 PHE QD 27 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 332, 340,
igr2= 416, 417, 418,
&end
#
# 21 PHE QD 47 VAL HB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 332, 340,
&end
#
# 21 PHE QD 47 VAL QG1 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= 332, 340,
igr2= 750, 751, 752,
&end
#
# 21 PHE QD 47 VAL QG2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 332, 340,
igr2= 754, 755, 756,
&end
#
# 21 PHE QD 49 PHE HZ 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1= 332, 340,
&end
#
# 21 PHE QD 49 PHE 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= 332, 340,
igr2= 784, 788,
&end
#
# 21 PHE QD 58 VAL QG1 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= 332, 340,
igr2= 913, 914, 915,
&end
#
# 21 PHE QD 58 VAL QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 332, 340,
igr2= 917, 918, 919,
&end
#
# 21 PHE QD 66 LEU QD2 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= 332, 340,
igr2=1049,1050,1051,
&end
#
# 21 PHE QE 47 VAL QG2 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= 334, 338,
igr2= 754, 755, 756,
&end
#
# 21 PHE QE 58 VAL HA 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 334, 338,
&end
#
# 21 PHE QE 58 VAL HB 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 334, 338,
&end
#
# 21 PHE QE 58 VAL QG1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 334, 338,
igr2= 913, 914, 915,
&end
#
# 21 PHE QE 58 VAL QG2 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= 334, 338,
igr2= 917, 918, 919,
&end
#
# 21 PHE QE 66 LEU QD2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 334, 338,
igr2=1049,1050,1051,
&end
#
# 21 PHE QE 71 ILE QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 334, 338,
igr2=1127,1128,1129,
&end
#
# 21 PHE QE 73 PRO HB3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 334, 338,
&end
#
# 21 PHE QE 73 PRO HG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 334, 338,
&end
#
# 21 PHE QE 73 PRO HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 334, 338,
&end
#
# 22 GLY HA2 27 VAL QG1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 416, 417, 418,
&end
#
# 22 GLY HA3 27 VAL QG1 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 416, 417, 418,
&end
#
# 22 GLY HN 23 GLN HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 344, 351, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 22 GLY HN 24 PHE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 344, 368, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 22 GLY HN 27 VAL QG1 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 416, 417, 418,
&end
#
# 22 GLY QA 25 GLY HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 346, 347,
&end
#
# 23 GLN HA 23 GLN HG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 GLN HA 23 GLN HG3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 353, 359, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 GLN HA 23 GLN QB 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 355, 356,
&end
#
# 23 GLN HA 23 GLN QG 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 358, 359,
&end
#
# 23 GLN HN 23 GLN HG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 23 GLN HN 23 GLN HG3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 351, 359, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 23 GLN HN 23 GLN QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 355, 356,
&end
#
# 23 GLN HN 24 PHE HA 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 23 GLN HN 24 PHE HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 351, 368, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 23 GLN HN 24 PHE QD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 376, 384,
&end
#
# 23 GLN HN 25 GLY HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 351, 388, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 23 GLN HN 27 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 416, 417, 418,
&end
#
# 23 GLN QB 23 GLN HE21 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 363, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 355, 356,
&end
#
# 23 GLN QB 23 GLN HE22 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 364, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 355, 356,
&end
#
# 23 GLN QB 23 GLN QE2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 355, 356,
igr2= 363, 364,
&end
#
# 23 GLN QB 24 PHE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 355, 356,
&end
#
# 23 GLN QB 24 PHE HZ 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 355, 356,
&end
#
# 23 GLN QB 24 PHE QD 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 355, 356,
igr2= 376, 384,
&end
#
# 23 GLN QG 23 GLN QE2 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= 358, 359,
igr2= 363, 364,
&end
#
# 23 GLN QG 24 PHE HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 368, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 358, 359,
&end
#
# 23 GLN QG 24 PHE QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 358, 359,
igr2= 376, 384,
&end
#
# 24 PHE HA 24 PHE QD 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 376, 384,
&end
#
# 24 PHE HA 25 GLY HA2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 370, 390, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 24 PHE HA 25 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 370, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PHE HA 57 LYS+ QB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 889, 890,
&end
#
# 24 PHE HA 57 LYS+ QD 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 895, 896,
&end
#
# 24 PHE HA 57 LYS+ QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 898, 899,
&end
#
# 24 PHE HA 58 VAL QG2 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= 370, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 917, 918, 919,
&end
#
# 24 PHE HB2 25 GLY HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 372, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 24 PHE HB2 49 PHE HZ 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 372, 786, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 24 PHE HB2 49 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 782, 790,
&end
#
# 24 PHE HB2 49 PHE QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 784, 788,
&end
#
# 24 PHE HB2 57 LYS+ QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 889, 890,
&end
#
# 24 PHE HB2 58 VAL QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 917, 918, 919,
&end
#
# 24 PHE HB3 25 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 24 PHE HB3 49 PHE QE 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 784, 788,
&end
#
# 24 PHE HB3 57 LYS+ QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 889, 890,
&end
#
# 24 PHE HB3 57 LYS+ QD 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 895, 896,
&end
#
# 24 PHE HB3 58 VAL HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 373, 907, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 24 PHE HB3 58 VAL QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 917, 918, 919,
&end
#
# 24 PHE HN 24 PHE HB2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 24 PHE HN 24 PHE HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 24 PHE HN 24 PHE QD 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 376, 384,
&end
#
# 24 PHE HN 25 GLY HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 368, 388, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 24 PHE HN 49 PHE QE 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 368, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 784, 788,
&end
#
# 24 PHE HZ 58 VAL HA 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 380, 909, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 24 PHE HZ 58 VAL QG2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 917, 918, 919,
&end
#
# 24 PHE HZ 61 GLN QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 956, 957,
&end
#
# 24 PHE HZ 61 GLN QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 959, 960,
&end
#
# 24 PHE HZ 64 HIS HE1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 380,1014, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 24 PHE QD 57 LYS+ HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 376, 384,
&end
#
# 24 PHE QD 57 LYS+ HG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 892, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 376, 384,
&end
#
# 24 PHE QD 57 LYS+ HG3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 376, 384,
&end
#
# 24 PHE QD 57 LYS+ QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 376, 384,
igr2= 889, 890,
&end
#
# 24 PHE QD 57 LYS+ QD 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 376, 384,
igr2= 895, 896,
&end
#
# 24 PHE QD 57 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= 376, 384,
igr2= 898, 899,
&end
#
# 24 PHE QD 58 VAL HA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 376, 384,
&end
#
# 24 PHE QD 58 VAL QG2 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= 376, 384,
igr2= 917, 918, 919,
&end
#
# 24 PHE QE 57 LYS+ QB 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 378, 382,
igr2= 889, 890,
&end
#
# 24 PHE QE 58 VAL HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 378, 382,
&end
#
# 24 PHE QE 58 VAL QG1 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 378, 382,
igr2= 913, 914, 915,
&end
#
# 24 PHE QE 61 GLN QB 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 378, 382,
igr2= 956, 957,
&end
#
# 24 PHE QE 61 GLN QG 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= 378, 382,
igr2= 959, 960,
&end
#
# 25 GLY HA2 26 GLU- HA 1.80 5.41
&rst
ixpk= 0, nxpk= 0, iat= 390, 397, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 25 GLY HA2 26 GLU- HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 25 GLY HA2 49 PHE QD 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 782, 790,
&end
#
# 25 GLY HA2 54 GLY HA2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 390, 852, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 25 GLY HA3 26 GLU- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 391, 397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HA3 26 GLU- HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 25 GLY HA3 49 PHE QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 782, 790,
&end
#
# 25 GLY HA3 49 PHE QE 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 784, 788,
&end
#
# 25 GLY HA3 53 ALA QB 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2= 844, 845, 846,
&end
#
# 25 GLY HA3 54 GLY HA2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 391, 852, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 25 GLY HA3 54 GLY HA3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 391, 853, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 25 GLY HN 26 GLU- HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 25 GLY HN 27 VAL QG1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 416, 417, 418,
&end
#
# 25 GLY HN 49 PHE QE 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 784, 788,
&end
#
# 26 GLU- HA 26 GLU- HG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 GLU- HA 26 GLU- HG3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 26 GLU- HA 26 GLU- QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 402, 403,
&end
#
# 26 GLU- HA 27 VAL HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 26 GLU- HA 27 VAL HN 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 26 GLU- HA 27 VAL QG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 416, 417, 418,
&end
#
# 26 GLU- HA 27 VAL QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 420, 421, 422,
&end
#
# 26 GLU- HB2 27 VAL HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 399, 410, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 26 GLU- HB2 50 MET HG3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 399, 802, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 26 GLU- HB3 27 VAL HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 26 GLU- HB3 50 MET HG3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 400, 802, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 26 GLU- HG2 27 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 GLU- HG3 27 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 26 GLU- HN 26 GLU- HB2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 26 GLU- HN 26 GLU- HB3 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 26 GLU- HN 26 GLU- HG2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 395, 402, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 GLU- HN 26 GLU- HG3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 26 GLU- HN 27 VAL HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 395, 410, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 26 GLU- HN 49 PHE QD 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 782, 790,
&end
#
# 26 GLU- QB 26 GLU- QG 1.80 2.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr1= 399, 400,
igr2= 402, 403,
&end
#
# 26 GLU- QB 27 VAL HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 399, 400,
&end
#
# 26 GLU- QB 50 MET HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 399, 400,
&end
#
# 26 GLU- QG 27 VAL HA 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 412, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 402, 403,
&end
#
# 26 GLU- QG 27 VAL HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 410, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 402, 403,
&end
#
# 26 GLU- QG 50 MET HG3 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
igr1= 402, 403,
&end
#
# 27 VAL HA 27 VAL QG1 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 416, 417, 418,
&end
#
# 27 VAL HA 27 VAL QG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 420, 421, 422,
&end
#
# 27 VAL HA 28 LYS+ HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 412, 426, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 27 VAL HA 29 GLU- HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 412, 448, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 27 VAL HA 47 VAL QG1 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2= 750, 751, 752,
&end
#
# 27 VAL HA 49 PHE HA 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 412, 776, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 27 VAL HA 49 PHE QD 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2= 782, 790,
&end
#
# 27 VAL HA 50 MET HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 412, 794, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 27 VAL HB 28 LYS+ HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 414, 426, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 27 VAL HB 29 GLU- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 414, 448, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 VAL HB 47 VAL QG1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 750, 751, 752,
&end
#
# 27 VAL HB 49 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 782, 790,
&end
#
# 27 VAL HB 49 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 784, 788,
&end
#
# 27 VAL HN 27 VAL HB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 27 VAL HN 27 VAL QG1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 416, 417, 418,
&end
#
# 27 VAL HN 27 VAL QG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 420, 421, 422,
&end
#
# 27 VAL QG1 30 CYS QB 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 416, 417, 418,
igr2= 467, 468,
&end
#
# 27 VAL QG1 47 VAL QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 416, 417, 418,
igr2= 750, 751, 752,
&end
#
# 27 VAL QG1 47 VAL QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 416, 417, 418,
igr2= 754, 755, 756,
&end
#
# 27 VAL QG1 49 PHE HZ 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 416, 417, 418,
&end
#
# 27 VAL QG1 49 PHE QD 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 416, 417, 418,
igr2= 782, 790,
&end
#
# 27 VAL QG1 49 PHE QE 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 416, 417, 418,
igr2= 784, 788,
&end
#
# 27 VAL QG2 28 LYS+ HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 428, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 28 LYS+ HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 426, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 29 GLU- HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 29 GLU- HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 30 CYS HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 30 CYS QB 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 420, 421, 422,
igr2= 467, 468,
&end
#
# 27 VAL QG2 47 VAL HA 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 47 VAL QG1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 420, 421, 422,
igr2= 750, 751, 752,
&end
#
# 27 VAL QG2 48 THR HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 420, 421, 422,
&end
#
# 27 VAL QG2 49 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= 420, 421, 422,
igr2= 782, 790,
&end
#
# 28 LYS+ HA 28 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HA 28 LYS+ HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 428, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 LYS+ HA 28 LYS+ HG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 LYS+ HA 28 LYS+ HG3 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 428, 434, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 LYS+ HA 28 LYS+ QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 433, 434,
&end
#
# 28 LYS+ HA 50 MET QE 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 428, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 805, 806, 807,
&end
#
# 28 LYS+ HB2 29 GLU- HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 28 LYS+ HB2 48 THR HB 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 430, 764, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 LYS+ HB2 48 THR QG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 430, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 766, 767, 768,
&end
#
# 28 LYS+ HB3 29 GLU- HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 431, 448, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 28 LYS+ HB3 48 THR HB 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 431, 764, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 LYS+ HB3 48 THR QG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 766, 767, 768,
&end
#
# 28 LYS+ HG2 48 THR HB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 433, 764, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 28 LYS+ HG3 48 THR HB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 434, 764, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 28 LYS+ HN 28 LYS+ HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 426, 430, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 LYS+ HN 28 LYS+ HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 426, 431, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 28 LYS+ HN 28 LYS+ QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 430, 431,
&end
#
# 28 LYS+ HN 28 LYS+ QG 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 433, 434,
&end
#
# 28 LYS+ HN 29 GLU- HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 426, 448, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 28 LYS+ HN 48 THR HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 426, 764, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 28 LYS+ HN 49 PHE HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 426, 776, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 28 LYS+ HN 50 MET HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 426, 794, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 28 LYS+ QB 28 LYS+ QE 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= 430, 431,
igr2= 439, 440,
&end
#
# 28 LYS+ QB 29 GLU- HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 430, 431,
&end
#
# 28 LYS+ QB 48 THR HB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 430, 431,
&end
#
# 28 LYS+ QD 48 THR HB 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 436, 437,
&end
#
# 28 LYS+ QD 48 THR QG2 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= 436, 437,
igr2= 766, 767, 768,
&end
#
# 28 LYS+ QE 48 THR QG2 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= 439, 440,
igr2= 766, 767, 768,
&end
#
# 28 LYS+ QE 50 MET QE 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= 439, 440,
igr2= 805, 806, 807,
&end
#
# 28 LYS+ QG 28 LYS+ QE 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 433, 434,
igr2= 439, 440,
&end
#
# 28 LYS+ QG 29 GLU- QB 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 433, 434,
igr2= 452, 453,
&end
#
# 29 GLU- HA 29 GLU- HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 29 GLU- HA 29 GLU- HG3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 450, 456, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 29 GLU- HA 29 GLU- QG 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 455, 456,
&end
#
# 29 GLU- HA 30 CYS HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 450, 463, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 29 GLU- HG2 30 CYS HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 455, 463, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 29 GLU- HG2 31 LEU HG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 455, 481, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 29 GLU- HG2 31 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 483, 484, 485,
&end
#
# 29 GLU- HG2 31 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 29 GLU- HG3 30 CYS HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 456, 463, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 29 GLU- HG3 31 LEU HG 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 456, 481, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 29 GLU- HG3 31 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 483, 484, 485,
&end
#
# 29 GLU- HG3 31 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 29 GLU- HN 29 GLU- HG2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 448, 455, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 29 GLU- HN 29 GLU- HG3 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 29 GLU- HN 29 GLU- QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 452, 453,
&end
#
# 29 GLU- HN 29 GLU- QG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 455, 456,
&end
#
# 29 GLU- HN 48 THR HB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 448, 764, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 29 GLU- HN 48 THR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 448, 760, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 29 GLU- HN 48 THR QG2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 766, 767, 768,
&end
#
# 29 GLU- QB 30 CYS HA 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 452, 453,
&end
#
# 29 GLU- QB 31 LEU QQD 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
igr1= 452, 453,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 29 GLU- QB 48 THR HB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 452, 453,
&end
#
# 29 GLU- QB 48 THR HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 452, 453,
&end
#
# 29 GLU- QB 48 THR QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr1= 452, 453,
igr2= 766, 767, 768,
&end
#
# 29 GLU- QG 30 CYS HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 465, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 455, 456,
&end
#
# 29 GLU- QG 30 CYS HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 455, 456,
&end
#
# 29 GLU- QG 31 LEU QQD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 455, 456,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 29 GLU- QG 48 THR HB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 764, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 455, 456,
&end
#
# 30 CYS HA 31 LEU HG 1.80 5.49
&rst
ixpk= 0, nxpk= 0, iat= 465, 481, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 30 CYS HA 31 LEU HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 465, 474, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 30 CYS HA 31 LEU QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 478, 479,
&end
#
# 30 CYS HA 31 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 483, 484, 485,
&end
#
# 30 CYS HA 31 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 30 CYS HA 46 PHE HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 465, 724, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 30 CYS HA 47 VAL HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 465, 746, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 30 CYS HA 47 VAL HB 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 465, 748, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 30 CYS HA 47 VAL QG1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 750, 751, 752,
&end
#
# 30 CYS HA 47 VAL QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 465, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 754, 755, 756,
&end
#
# 30 CYS HA 48 THR HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 465, 760, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 30 CYS QB 31 LEU HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 474, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 467, 468,
&end
#
# 30 CYS QB 47 VAL HA 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 746, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 467, 468,
&end
#
# 30 CYS QB 47 VAL QG1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 467, 468,
igr2= 750, 751, 752,
&end
#
# 30 CYS QB 47 VAL QG2 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= 467, 468,
igr2= 754, 755, 756,
&end
#
# 31 LEU HA 31 LEU HG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 476, 481, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 31 LEU HA 31 LEU QQD 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU HA 32 VAL HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 476, 493, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 31 LEU HG 32 VAL HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 481, 493, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 31 LEU HG 46 PHE HB2 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 481, 728, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 31 LEU HN 31 LEU HG 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 474, 481, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 31 LEU HN 31 LEU QB 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 478, 479,
&end
#
# 31 LEU HN 31 LEU QD1 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 483, 484, 485,
&end
#
# 31 LEU HN 31 LEU QD2 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 487, 488, 489,
&end
#
# 31 LEU HN 31 LEU QQD 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU HN 32 VAL HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 LEU HN 32 VAL HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 31 LEU HN 46 PHE HB2 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 474, 728, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 31 LEU HN 46 PHE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 474, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 LEU HN 46 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 732, 740,
&end
#
# 31 LEU HN 47 VAL HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 474, 746, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 31 LEU HN 47 VAL QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 474, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 754, 755, 756,
&end
#
# 31 LEU QB 31 LEU QD1 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 478, 479,
igr2= 483, 484, 485,
&end
#
# 31 LEU QB 31 LEU QD2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 478, 479,
igr2= 487, 488, 489,
&end
#
# 31 LEU QB 31 LEU QQD 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 478, 479,
igr2= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU QB 32 VAL 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= 478, 479,
&end
#
# 31 LEU QB 45 GLY HA2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 478, 479,
&end
#
# 31 LEU QB 45 GLY HA3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 478, 479,
&end
#
# 31 LEU QB 46 PHE HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 478, 479,
&end
#
# 31 LEU QB 46 PHE HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 478, 479,
&end
#
# 31 LEU QB 46 PHE HB3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 478, 479,
&end
#
# 31 LEU QB 46 PHE HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 478, 479,
&end
#
# 31 LEU QB 46 PHE QD 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 478, 479,
igr2= 732, 740,
&end
#
# 31 LEU QD1 32 VAL HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 483, 484, 485,
&end
#
# 31 LEU QD1 33 MET HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 483, 484, 485,
&end
#
# 31 LEU QD1 33 MET QE 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 483, 484, 485,
igr2= 520, 521, 522,
&end
#
# 31 LEU QD1 46 PHE HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 483, 484, 485,
&end
#
# 31 LEU QD1 46 PHE QD 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= 483, 484, 485,
igr2= 732, 740,
&end
#
# 31 LEU QD2 32 VAL HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD2 33 MET HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD2 33 MET QE 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 487, 488, 489,
igr2= 520, 521, 522,
&end
#
# 31 LEU QD2 46 PHE HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 487, 488, 489,
&end
#
# 31 LEU QD2 46 PHE QD 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= 487, 488, 489,
igr2= 732, 740,
&end
#
# 31 LEU QQD 32 VAL HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU QQD 33 MET HG2 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 516, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU QQD 33 MET QE 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 483, 484, 485, 487, 488, 489,
igr2= 520, 521, 522,
&end
#
# 31 LEU QQD 46 PHE HB2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU QQD 46 PHE HB3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU QQD 46 PHE HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
igr1= 483, 484, 485, 487, 488, 489,
&end
#
# 31 LEU QQD 46 PHE QD 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 483, 484, 485, 487, 488, 489,
igr2= 732, 740,
&end
#
# 32 VAL HA 32 VAL QG1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 499, 500, 501,
&end
#
# 32 VAL HA 32 VAL QG2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 503, 504, 505,
&end
#
# 32 VAL HA 33 MET HB2 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 495, 513, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 32 VAL HA 33 MET HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 495, 509, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 32 VAL HA 46 PHE HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 495, 724, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 32 VAL HA 46 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 732, 740,
&end
#
# 32 VAL HN 32 VAL HB 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 32 VAL HN 32 VAL QG1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 499, 500, 501,
&end
#
# 32 VAL HN 32 VAL QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 503, 504, 505,
&end
#
# 32 VAL QG1 33 MET HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 34 ARG+ HG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 34 ARG+ HG3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 34 ARG+ QB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 499, 500, 501,
igr2= 530, 531,
&end
#
# 32 VAL QG1 34 ARG+ QG 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 499, 500, 501,
igr2= 533, 534,
&end
#
# 32 VAL QG1 41 SER HB2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 659, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 41 SER HB3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 660, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 41 SER HG 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 662, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 41 SER QB 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= 499, 500, 501,
igr2= 659, 660,
&end
#
# 32 VAL QG1 42 ARG+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 43 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 44 PHE HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG1 46 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 499, 500, 501,
&end
#
# 32 VAL QG2 33 MET HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 503, 504, 505,
&end
#
# 32 VAL QG2 41 SER QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 503, 504, 505,
igr2= 659, 660,
&end
#
# 32 VAL QG2 45 GLY HA2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 503, 504, 505,
&end
#
# 32 VAL QG2 45 GLY HA3 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 503, 504, 505,
&end
#
# 32 VAL QG2 46 PHE HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 724, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 503, 504, 505,
&end
#
# 33 MET HA 33 MET QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 511, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 520, 521, 522,
&end
#
# 33 MET HA 34 ARG+ HN 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 33 MET HB2 33 MET QE 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 520, 521, 522,
&end
#
# 33 MET HB2 34 ARG+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 513, 526, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 33 MET HB2 42 ARG+ QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 670, 671,
&end
#
# 33 MET HB2 44 PHE HZ 1.80 5.40
&rst
ixpk= 0, nxpk= 0, iat= 513, 709, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end
#
# 33 MET HB2 44 PHE QE 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 707, 711,
&end
#
# 33 MET HB2 45 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 513, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HB3 33 MET QE 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 520, 521, 522,
&end
#
# 33 MET HB3 44 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 514, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HB3 44 PHE QE 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 707, 711,
&end
#
# 33 MET HG2 44 PHE HZ 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 516, 709, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 33 MET HG2 44 PHE QE 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 707, 711,
&end
#
# 33 MET HG2 45 GLY HA2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 516, 719, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 33 MET HG2 45 GLY HA3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 516, 720, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 33 MET HG2 46 PHE HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 516, 724, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 33 MET HG2 46 PHE QD 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 732, 740,
&end
#
# 33 MET HG2 46 PHE QE 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 734, 738,
&end
#
# 33 MET HG3 33 MET QE 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 520, 521, 522,
&end
#
# 33 MET HG3 44 PHE HZ 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 517, 709, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 33 MET HG3 44 PHE QE 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 707, 711,
&end
#
# 33 MET HG3 45 GLY HA2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 517, 719, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 33 MET HG3 45 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 517, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 MET HG3 46 PHE QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 732, 740,
&end
#
# 33 MET HG3 46 PHE QE 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 734, 738,
&end
#
# 33 MET HN 33 MET HB2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 509, 513, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 33 MET HN 33 MET HG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 509, 516, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 33 MET HN 33 MET HG3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 33 MET HN 33 MET QE 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 520, 521, 522,
&end
#
# 33 MET HN 45 GLY HA3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 509, 720, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 33 MET QE 34 ARG+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 520, 521, 522,
&end
#
# 33 MET QE 44 PHE HZ 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 520, 521, 522,
&end
#
# 33 MET QE 44 PHE QE 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr1= 520, 521, 522,
igr2= 707, 711,
&end
#
# 33 MET QE 46 PHE QD 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 520, 521, 522,
igr2= 732, 740,
&end
#
# 33 MET QE 46 PHE QE 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= 520, 521, 522,
igr2= 734, 738,
&end
#
# 34 ARG+ HD2 35 ASP- HN 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 536, 550, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 34 ARG+ HD2 39 LYS+ HA 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 536, 611, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 34 ARG+ HD2 39 LYS+ QB 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 613, 614,
&end
#
# 34 ARG+ HD2 41 SER QB 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2= 659, 660,
&end
#
# 34 ARG+ HD3 41 SER QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 659, 660,
&end
#
# 34 ARG+ HN 34 ARG+ QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 526, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 533, 534,
&end
#
# 34 ARG+ HN 35 ASP- HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 526, 550, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 34 ARG+ QB 34 ARG+ HD2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 530, 531,
&end
#
# 34 ARG+ QB 34 ARG+ HD3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 537, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 530, 531,
&end
#
# 34 ARG+ QB 35 ASP- HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 530, 531,
&end
#
# 34 ARG+ QB 39 LYS+ HA 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 530, 531,
&end
#
# 34 ARG+ QB 41 SER QB 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= 530, 531,
igr2= 659, 660,
&end
#
# 34 ARG+ QG 35 ASP- HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 533, 534,
&end
#
# 34 ARG+ QG 39 LYS+ HA 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 533, 534,
&end
#
# 35 ASP- HA 36 PRO HD2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 552, 563, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 ASP- HA 36 PRO HD3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 35 ASP- HA 36 PRO HG3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 35 ASP- HB2 38 THR HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 554, 595, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 35 ASP- HB2 38 THR QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 601, 602, 603,
&end
#
# 35 ASP- HB2 39 LYS+ HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 554, 609, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 35 ASP- HB2 40 ARG+ HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 554, 631, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 35 ASP- HB3 38 THR HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 555, 595, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 35 ASP- HB3 38 THR QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 601, 602, 603,
&end
#
# 35 ASP- HB3 39 LYS+ HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 555, 609, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 35 ASP- HB3 40 ARG+ HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 555, 631, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 35 ASP- HN 35 ASP- HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 35 ASP- HN 35 ASP- HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 35 ASP- HN 35 ASP- QB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 554, 555,
&end
#
# 35 ASP- HN 36 PRO QD 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 563, 564,
&end
#
# 35 ASP- HN 38 THR HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 550, 595, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 35 ASP- HN 39 LYS+ HA 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 550, 611, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 ASP- HN 39 LYS+ HN 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 550, 609, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 35 ASP- HN 40 ARG+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 550, 633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ASP- HN 40 ARG+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 550, 631, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 35 ASP- QB 36 PRO 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= 554, 555,
igr2= 563, 564,
&end
#
# 35 ASP- QB 37 LEU HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 554, 555,
&end
#
# 35 ASP- QB 38 THR HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 554, 555,
&end
#
# 35 ASP- QB 38 THR QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 554, 555,
igr2= 601, 602, 603,
&end
#
# 35 ASP- QB 40 ARG+ HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 554, 555,
&end
#
# 35 ASP- QB 40 ARG+ QB 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= 554, 555,
igr2= 635, 636,
&end
#
# 36 PRO HA 39 LYS+ HA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 572, 611, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 36 PRO HA 39 LYS+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 572, 609, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 36 PRO HA 39 LYS+ QD 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 619, 620,
&end
#
# 36 PRO HB2 37 LEU HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 569, 576, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 36 PRO HB2 37 LEU QQD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 585, 586, 587, 589, 590, 591,
&end
#
# 36 PRO HB3 37 LEU HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 570, 576, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 36 PRO HG2 37 LEU HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 566, 576, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 36 PRO HG2 37 LEU QQD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 585, 586, 587, 589, 590, 591,
&end
#
# 36 PRO HG3 37 LEU HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 567, 576, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 36 PRO QD 37 LEU HN 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 576, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 563, 564,
&end
#
# 37 LEU HA 37 LEU HG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 37 LEU HA 37 LEU QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 585, 586, 587,
&end
#
# 37 LEU HA 37 LEU QD2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 589, 590, 591,
&end
#
# 37 LEU HA 37 LEU QQD 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 585, 586, 587, 589, 590, 591,
&end
#
# 37 LEU HB2 37 LEU QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 585, 586, 587,
&end
#
# 37 LEU HB2 37 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 589, 590, 591,
&end
#
# 37 LEU HB2 38 THR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 37 LEU HB2 38 THR QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 601, 602, 603,
&end
#
# 37 LEU HB3 37 LEU QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 585, 586, 587,
&end
#
# 37 LEU HB3 37 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 589, 590, 591,
&end
#
# 37 LEU HB3 38 THR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 581, 595, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 37 LEU HB3 38 THR QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 601, 602, 603,
&end
#
# 37 LEU HN 37 LEU HB2 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 576, 580, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 37 LEU HN 37 LEU HB3 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 37 LEU HN 37 LEU HG 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 576, 583, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 37 LEU HN 37 LEU QB 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 580, 581,
&end
#
# 37 LEU HN 37 LEU QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 585, 586, 587,
&end
#
# 37 LEU HN 37 LEU QD2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 589, 590, 591,
&end
#
# 37 LEU HN 38 THR HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 576, 595, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 37 LEU HN 38 THR QG2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 601, 602, 603,
&end
#
# 37 LEU HN 39 LYS+ HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 576, 609, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 37 LEU QB 37 LEU QQD 1.80 2.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 580, 581,
igr2= 585, 586, 587, 589, 590, 591,
&end
#
# 37 LEU QB 38 THR HB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 599, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 580, 581,
&end
#
# 38 THR HA 38 THR QG2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 601, 602, 603,
&end
#
# 38 THR HB 39 LYS+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 619, 620,
&end
#
# 38 THR HB 40 ARG+ HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 599, 631, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 38 THR HB 40 ARG+ QB 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 635, 636,
&end
#
# 38 THR HB 40 ARG+ QG 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 599, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 638, 639,
&end
#
# 38 THR HN 38 THR HB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 38 THR HN 38 THR QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 601, 602, 603,
&end
#
# 38 THR HN 39 LYS+ HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 38 THR HN 40 ARG+ HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 595, 631, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 38 THR QG2 39 LYS+ HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 609, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 601, 602, 603,
&end
#
# 38 THR QG2 40 ARG+ HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 631, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 601, 602, 603,
&end
#
# 39 LYS+ HA 39 LYS+ HD2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 611, 619, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 39 LYS+ HA 39 LYS+ HD3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 611, 620, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 39 LYS+ HA 39 LYS+ HG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 39 LYS+ HA 39 LYS+ HG3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 611, 617, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 39 LYS+ HA 39 LYS+ QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 619, 620,
&end
#
# 39 LYS+ HA 39 LYS+ QE 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2= 622, 623,
&end
#
# 39 LYS+ HA 39 LYS+ QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 611, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 616, 617,
&end
#
# 39 LYS+ HG2 39 LYS+ QE 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 616, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 622, 623,
&end
#
# 39 LYS+ HG3 39 LYS+ QE 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 622, 623,
&end
#
# 39 LYS+ HN 39 LYS+ HG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 39 LYS+ HN 39 LYS+ HG3 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 39 LYS+ HN 39 LYS+ QD 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 619, 620,
&end
#
# 39 LYS+ HN 39 LYS+ QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 622, 623,
&end
#
# 39 LYS+ HN 39 LYS+ QG 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 609, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 616, 617,
&end
#
# 39 LYS+ HN 40 ARG+ HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 609, 631, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 40 ARG+ HA 40 ARG+ QG 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 638, 639,
&end
#
# 40 ARG+ HA 41 SER HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 40 ARG+ HA 41 SER QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 633, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 659, 660,
&end
#
# 40 ARG+ HA 42 ARG+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 633, 666, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 40 ARG+ HN 40 ARG+ QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 635, 636,
&end
#
# 40 ARG+ HN 40 ARG+ QG 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 631, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 638, 639,
&end
#
# 40 ARG+ QB 40 ARG+ HD2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 635, 636,
&end
#
# 40 ARG+ QB 40 ARG+ HD3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 642, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 635, 636,
&end
#
# 40 ARG+ QB 41 SER HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 635, 636,
&end
#
# 40 ARG+ QB 42 ARG+ HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 666, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 635, 636,
&end
#
# 40 ARG+ QB 42 ARG+ QG 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 635, 636,
igr2= 673, 674,
&end
#
# 40 ARG+ QG 41 SER HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 638, 639,
&end
#
# 41 SER HG 43 GLY HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 662, 690, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 41 SER HN 41 SER HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 41 SER HN 41 SER HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 655, 660, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 41 SER HN 41 SER HG 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 655, 662, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 41 SER QB 43 GLY HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 659, 660,
&end
#
# 42 ARG+ HA 42 ARG+ QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 673, 674,
&end
#
# 42 ARG+ HA 43 GLY QA 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 692, 693,
&end
#
# 42 ARG+ HA 44 PHE HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 668, 697, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 42 ARG+ HB2 42 ARG+ HE 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 670, 679, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 42 ARG+ HB2 44 PHE QE 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 707, 711,
&end
#
# 42 ARG+ HB3 42 ARG+ HE 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 671, 679, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 42 ARG+ HB3 44 PHE QE 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 707, 711,
&end
#
# 42 ARG+ HD2 44 PHE QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 707, 711,
&end
#
# 42 ARG+ HD3 44 PHE QE 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 677, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 707, 711,
&end
#
# 42 ARG HE 33 MET QB 4.50 100
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
igr2= 513, 514,
&end
#
# 42 ARG+ HE 44 PHE QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 707, 711,
&end
#
# 42 ARG+ HN 42 ARG+ HG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 666, 673, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 42 ARG+ HN 42 ARG+ HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 666, 674, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 42 ARG+ HN 42 ARG+ QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 670, 671,
&end
#
# 42 ARG+ HN 42 ARG+ QG 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 666, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 673, 674,
&end
#
# 42 ARG+ HN 43 GLY HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 666, 690, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 42 ARG+ HN 44 PHE HN 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= 666, 697, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 42 ARG+ QB 42 ARG+ HE 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 679, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 670, 671,
&end
#
# 42 ARG+ QB 44 PHE HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 670, 671,
&end
#
# 42 ARG+ QB 44 PHE HZ 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 670, 671,
&end
#
# 42 ARG+ QG 44 PHE QE 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 673, 674,
igr2= 707, 711,
&end
#
# 43 GLY HN 44 PHE HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 690, 697, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 44 PHE HB2 45 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 PHE HB2 45 GLY HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 701, 717, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 44 PHE HB3 45 GLY HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 702, 717, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 44 PHE HZ 33 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 520, 521, 522,
&end
#
# 44 PHE HZ 46 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 732, 740,
&end
#
# 44 PHE HZ 46 PHE QE 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 734, 738,
&end
#
# 44 PHE QE 33 MET QE 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= 707, 711,
igr2= 520, 521, 522,
&end
#
# 44 PHE QE 45 GLY HA2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 707, 711,
&end
#
# 44 PHE QE 46 PHE HZ 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 707, 711,
&end
#
# 44 PHE QE 46 PHE QD 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 707, 711,
igr2= 732, 740,
&end
#
# 44 PHE QE 46 PHE QE 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 707, 711,
igr2= 734, 738,
&end
#
# 45 GLY HA3 46 PHE HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 720, 726, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 45 GLY HA3 46 PHE HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 45 GLY HA3 46 PHE QD 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 732, 740,
&end
#
# 46 PHE HA 46 PHE QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 732, 740,
&end
#
# 46 PHE HA 47 VAL HB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 726, 748, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 46 PHE HA 47 VAL HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 726, 744, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 46 PHE HA 47 VAL QG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 726, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 754, 755, 756,
&end
#
# 46 PHE HB2 47 VAL HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 728, 744, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 46 PHE HB3 47 VAL HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 729, 744, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 46 PHE HN 46 PHE HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 46 PHE HN 46 PHE QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 732, 740,
&end
#
# 46 PHE HN 47 VAL QG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 754, 755, 756,
&end
#
# 46 PHE HZ 76 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1201,1202,1203,
&end
#
# 46 PHE QD 47 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 744, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 732, 740,
&end
#
# 46 PHE QD 76 ALA QB 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= 732, 740,
igr2=1201,1202,1203,
&end
#
# 46 PHE QE 76 ALA QB 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= 734, 738,
igr2=1201,1202,1203,
&end
#
# 47 VAL HA 47 VAL QG1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 750, 751, 752,
&end
#
# 47 VAL HA 47 VAL QG2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 746, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 754, 755, 756,
&end
#
# 47 VAL HA 48 THR HB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 746, 764, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 47 VAL HA 48 THR HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 746, 760, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 47 VAL HB 48 THR HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 748, 760, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 47 VAL HB 49 PHE QD 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 782, 790,
&end
#
# 47 VAL HB 49 PHE QE 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 784, 788,
&end
#
# 47 VAL HN 47 VAL HB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 47 VAL HN 47 VAL QG1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 750, 751, 752,
&end
#
# 47 VAL HN 47 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 744, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 754, 755, 756,
&end
#
# 47 VAL QG1 48 THR HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 750, 751, 752,
&end
#
# 47 VAL QG1 49 PHE HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 750, 751, 752,
&end
#
# 47 VAL QG1 49 PHE HZ 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 750, 751, 752,
&end
#
# 47 VAL QG1 49 PHE 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= 750, 751, 752,
igr2= 782, 790,
&end
#
# 47 VAL QG1 49 PHE QE 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 750, 751, 752,
igr2= 784, 788,
&end
#
# 47 VAL QG2 48 THR HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 754, 755, 756,
&end
#
# 47 VAL QG2 49 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 786, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 754, 755, 756,
&end
#
# 47 VAL QG2 73 PRO HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 754, 755, 756,
&end
#
# 48 THR HA 48 THR QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 766, 767, 768,
&end
#
# 48 THR HA 49 PHE HB2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 762, 778, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 48 THR HA 49 PHE HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 762, 774, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 48 THR HA 49 PHE QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 762, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 782, 790,
&end
#
# 48 THR HN 48 THR HB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 760, 764, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 48 THR HN 48 THR QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 766, 767, 768,
&end
#
# 48 THR QG2 49 PHE HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 766, 767, 768,
&end
#
# 48 THR QG2 49 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= 766, 767, 768,
igr2= 782, 790,
&end
#
# 49 PHE HA 50 MET HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 776, 794, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 49 PHE HB2 50 MET HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 778, 794, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 49 PHE HB2 51 ASP- HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 778, 811, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 PHE HB2 54 GLY HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 778, 850, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 49 PHE HB2 55 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 867, 868, 869,
&end
#
# 49 PHE HB3 50 MET HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 49 PHE HB3 51 ASP- HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 779, 811, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 49 PHE HB3 54 GLY HA3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 779, 853, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 49 PHE HB3 54 GLY HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 779, 850, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 49 PHE HB3 55 VAL QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 867, 868, 869,
&end
#
# 49 PHE HN 49 PHE HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 49 PHE HN 49 PHE HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 774, 779, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 PHE HN 49 PHE QD 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 782, 790,
&end
#
# 49 PHE HN 49 PHE QE 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 784, 788,
&end
#
# 49 PHE HN 50 MET HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 774, 794, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 49 PHE HN 55 VAL QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 867, 868, 869,
&end
#
# 49 PHE HZ 58 VAL QG1 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr2= 913, 914, 915,
&end
#
# 49 PHE HZ 58 VAL QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 786, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 917, 918, 919,
&end
#
# 49 PHE QD 50 MET HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 782, 790,
&end
#
# 49 PHE QD 51 ASP- HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1, 811, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 782, 790,
&end
#
# 49 PHE QD 54 GLY HA2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 782, 790,
&end
#
# 49 PHE QD 54 GLY HA3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 782, 790,
&end
#
# 49 PHE QD 54 GLY HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 782, 790,
&end
#
# 49 PHE QD 55 VAL HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 782, 790,
&end
#
# 49 PHE QD 55 VAL QG2 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= 782, 790,
igr2= 867, 868, 869,
&end
#
# 49 PHE QE 54 GLY HA2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 784, 788,
&end
#
# 49 PHE QE 55 VAL HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 784, 788,
&end
#
# 49 PHE QE 55 VAL QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 784, 788,
igr2= 867, 868, 869,
&end
#
# 49 PHE QE 58 VAL QG1 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= 784, 788,
igr2= 913, 914, 915,
&end
#
# 49 PHE QE 58 VAL QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 784, 788,
igr2= 917, 918, 919,
&end
#
# 50 MET HA 50 MET HG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 50 MET HA 50 MET HG3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 796, 802, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 50 MET HB2 51 ASP- HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 798, 811, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 50 MET HB3 51 ASP- HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 50 MET HG2 51 ASP- HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 801, 811, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 50 MET HG3 50 MET QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 802, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 805, 806, 807,
&end
#
# 50 MET HN 50 MET HB2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 50 MET HN 50 MET HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 50 MET HN 50 MET HG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 50 MET HN 50 MET HG3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 794, 802, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 50 MET HN 50 MET QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 798, 799,
&end
#
# 50 MET HN 51 ASP- HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 794, 811, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 51 ASP- HA 52 GLN HN 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 813, 823, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 51 ASP- HA 53 ALA HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 813, 840, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 51 ASP- HN 51 ASP- QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 815, 816,
&end
#
# 51 ASP- HN 55 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 867, 868, 869,
&end
#
# 51 ASP- QB 52 GLN HB3 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 815, 816,
&end
#
# 51 ASP- QB 52 GLN HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 823, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 815, 816,
&end
#
# 51 ASP- QB 53 ALA HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 815, 816,
&end
#
# 51 ASP- QB 53 ALA 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= 815, 816,
igr2= 844, 845, 846,
&end
#
# 51 ASP- QB 54 GLY HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 815, 816,
&end
#
# 52 GLN HA 52 GLN QE2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 835, 836,
&end
#
# 52 GLN HA 52 GLN QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 830, 831,
&end
#
# 52 GLN HA 53 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 844, 845, 846,
&end
#
# 52 GLN HA 54 GLY HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 825, 850, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 52 GLN HA 55 VAL HB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 825, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLN HA 55 VAL HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 825, 857, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 52 GLN HA 55 VAL QG1 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 863, 864, 865,
&end
#
# 52 GLN HA 55 VAL QG2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 867, 868, 869,
&end
#
# 52 GLN HB2 53 ALA HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 827, 840, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 52 GLN HB3 53 ALA HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 828, 842, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 52 GLN HB3 53 ALA HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 52 GLN HB3 53 ALA QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 844, 845, 846,
&end
#
# 52 GLN HE21 55 VAL HB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 835, 861, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 52 GLN HE21 55 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 863, 864, 865,
&end
#
# 52 GLN HE22 55 VAL HB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 836, 861, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 52 GLN HE22 55 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 863, 864, 865,
&end
#
# 52 GLN HN 52 GLN HB2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 823, 827, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 52 GLN HN 52 GLN HB3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 52 GLN HN 52 GLN QG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 830, 831,
&end
#
# 52 GLN HN 55 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 867, 868, 869,
&end
#
# 52 GLN QE2 55 VAL HB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 861, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 835, 836,
&end
#
# 52 GLN QE2 55 VAL QG1 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= 835, 836,
igr2= 863, 864, 865,
&end
#
# 52 GLN QG 52 GLN HE21 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 830, 831,
&end
#
# 52 GLN QG 52 GLN HE22 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 836, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 830, 831,
&end
#
# 52 GLN QG 52 GLN QE2 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= 830, 831,
igr2= 835, 836,
&end
#
# 52 GLN QG 53 ALA HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 842, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 830, 831,
&end
#
# 52 GLN QG 53 ALA HN 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 840, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 830, 831,
&end
#
# 52 GLN QG 55 VAL QG1 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= 830, 831,
igr2= 863, 864, 865,
&end
#
# 52 GLN QG 55 VAL QG2 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= 830, 831,
igr2= 867, 868, 869,
&end
#
# 52 GLN QG 56 ASP- HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 830, 831,
&end
#
# 53 ALA HA 55 VAL HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 842, 857, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 53 ALA HA 56 ASP- HB2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 842, 877, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 ALA HA 56 ASP- HB3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 842, 878, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 53 ALA HA 56 ASP- HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 842, 873, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 53 ALA HA 56 ASP- QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 842, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 877, 878,
&end
#
# 53 ALA HA 57 LYS+ HG3 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= 842, 893, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 53 ALA HA 57 LYS+ HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 842, 885, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 53 ALA HN 53 ALA QB 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 844, 845, 846,
&end
#
# 53 ALA HN 54 GLY HA2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 840, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 ALA HN 54 GLY HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 53 ALA HN 55 VAL HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 840, 857, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 53 ALA HN 55 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 867, 868, 869,
&end
#
# 53 ALA HN 56 ASP- QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 877, 878,
&end
#
# 53 ALA QB 54 GLY HA2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 54 GLY HA3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 54 GLY HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 55 VAL HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 56 ASP- HB2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 877, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 56 ASP- HB3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 878, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 56 ASP- QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 844, 845, 846,
igr2= 877, 878,
&end
#
# 53 ALA QB 57 LYS+ HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 844, 845, 846,
&end
#
# 53 ALA QB 57 LYS+ QE 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= 844, 845, 846,
igr2= 898, 899,
&end
#
# 54 GLY HA2 57 LYS+ QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 852, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 889, 890,
&end
#
# 54 GLY HA2 58 VAL HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 852, 907, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 54 GLY HA3 57 LYS+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 853, 885, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 54 GLY HA3 57 LYS+ QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 889, 890,
&end
#
# 54 GLY HA3 57 LYS+ QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 895, 896,
&end
#
# 54 GLY HN 55 VAL HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 850, 857, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 54 GLY HN 55 VAL QG2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 867, 868, 869,
&end
#
# 55 VAL HA 55 VAL QG1 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 863, 864, 865,
&end
#
# 55 VAL HA 55 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 867, 868, 869,
&end
#
# 55 VAL HA 58 VAL HB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 859, 911, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 55 VAL HA 58 VAL HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 859, 907, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 55 VAL HA 58 VAL QG1 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 913, 914, 915,
&end
#
# 55 VAL HA 58 VAL QG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 859, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 917, 918, 919,
&end
#
# 55 VAL HA 59 LEU HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 859, 923, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 55 VAL HB 56 ASP- HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 55 VAL HN 55 VAL HB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 55 VAL HN 55 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 863, 864, 865,
&end
#
# 55 VAL HN 55 VAL QG2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 857, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 867, 868, 869,
&end
#
# 55 VAL HN 56 ASP- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 857, 873, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 55 VAL HN 57 LYS+ HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 857, 885, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 55 VAL QG1 56 ASP- HA 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, 875, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 56 ASP- HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 58 VAL HB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 911, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 59 LEU HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 75 VAL HA 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 863, 864, 865,
&end
#
# 55 VAL QG1 75 VAL QQG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 863, 864, 865,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 55 VAL QG2 56 ASP- HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 873, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 867, 868, 869,
&end
#
# 56 ASP- HA 58 VAL HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 875, 907, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 56 ASP- HA 59 LEU HB2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 875, 927, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 56 ASP- HA 59 LEU HG 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 875, 930, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 56 ASP- HA 59 LEU HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 875, 923, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 56 ASP- HA 59 LEU QD1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 875, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 932, 933, 934,
&end
#
# 56 ASP- HA 60 ALA HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 875, 942, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 56 ASP- HB2 57 LYS+ HG3 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 877, 893, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 56 ASP- HB2 57 LYS+ HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 877, 885, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 56 ASP- HB3 57 LYS+ HG3 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 878, 893, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 56 ASP- HB3 57 LYS+ HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 878, 885, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 56 ASP- HN 56 ASP- HB2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 56 ASP- HN 56 ASP- HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 56 ASP- HN 56 ASP- QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 877, 878,
&end
#
# 56 ASP- HN 57 LYS+ HG3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 873, 893, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 56 ASP- HN 59 LEU QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 873, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 932, 933, 934,
&end
#
# 56 ASP- QB 57 LYS+ HG3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 877, 878,
&end
#
# 56 ASP- QB 57 LYS+ HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 877, 878,
&end
#
# 56 ASP- QB 59 LEU QD1 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 877, 878,
igr2= 932, 933, 934,
&end
#
# 57 LYS+ HA 57 LYS+ HG2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 57 LYS+ HA 57 LYS+ HG3 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 887, 893, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 57 LYS+ HA 57 LYS+ QB 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 889, 890,
&end
#
# 57 LYS+ HA 57 LYS+ QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 895, 896,
&end
#
# 57 LYS+ HA 57 LYS+ QE 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 898, 899,
&end
#
# 57 LYS+ HA 60 ALA HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 887, 942, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 57 LYS+ HA 60 ALA QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 946, 947, 948,
&end
#
# 57 LYS+ HG2 57 LYS+ QE 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 892, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 898, 899,
&end
#
# 57 LYS+ HG3 57 LYS+ QE 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 893, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 898, 899,
&end
#
# 57 LYS+ HN 57 LYS+ HG2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 885, 892, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 57 LYS+ HN 57 LYS+ HG3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 885, 893, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 57 LYS+ HN 57 LYS+ QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 889, 890,
&end
#
# 57 LYS+ HN 57 LYS+ QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 895, 896,
&end
#
# 57 LYS+ HN 58 VAL HN 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat= 885, 907, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 57 LYS+ HN 58 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 885, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 917, 918, 919,
&end
#
# 57 LYS+ QB 57 LYS+ QD 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 889, 890,
igr2= 895, 896,
&end
#
# 57 LYS+ QB 57 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= 889, 890,
igr2= 898, 899,
&end
#
# 57 LYS+ QB 58 VAL HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 909, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 889, 890,
&end
#
# 57 LYS+ QB 58 VAL HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 889, 890,
&end
#
# 57 LYS+ QB 58 VAL QG2 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= 889, 890,
igr2= 917, 918, 919,
&end
#
# 58 VAL HA 58 VAL QG1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 913, 914, 915,
&end
#
# 58 VAL HA 58 VAL QG2 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 917, 918, 919,
&end
#
# 58 VAL HA 59 LEU HG 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 909, 930, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 58 VAL HA 60 ALA HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 909, 942, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 58 VAL HA 60 ALA QB 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 946, 947, 948,
&end
#
# 58 VAL HA 61 GLN HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 909, 952, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 58 VAL HA 61 GLN QB 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 909, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 956, 957,
&end
#
# 58 VAL HA 64 HIS HE1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 909,1014, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 58 VAL HB 59 LEU HG 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 911, 930, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 58 VAL HB 59 LEU HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 911, 923, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 58 VAL HB 59 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 936, 937, 938,
&end
#
# 58 VAL HB 60 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 911, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 VAL HN 58 VAL HB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 907, 911, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 58 VAL HN 58 VAL QG1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 913, 914, 915,
&end
#
# 58 VAL HN 58 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 917, 918, 919,
&end
#
# 58 VAL HN 59 LEU HG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 907, 930, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 58 VAL HN 59 LEU HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 907, 923, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 58 VAL QG1 59 LEU HA 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 925, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 59 LEU HG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 59 LEU HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 64 HIS HD2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 64 HIS HE1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 73 PRO HB2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 73 PRO HD2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 73 PRO HG2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 73 PRO HG3 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG1 74 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 913, 914, 915,
&end
#
# 58 VAL QG2 59 LEU HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 917, 918, 919,
&end
#
# 58 VAL QG2 61 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 917, 918, 919,
&end
#
# 58 VAL QG2 64 HIS HE1 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 917, 918, 919,
&end
#
# 58 VAL QG2 73 PRO HB2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1152, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 917, 918, 919,
&end
#
# 58 VAL QG2 73 PRO HG3 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 917, 918, 919,
&end
#
# 59 LEU HA 59 LEU HG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 59 LEU HA 59 LEU QD2 1.80 2.75
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 936, 937, 938,
&end
#
# 59 LEU HA 61 GLN HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 925, 952, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 59 LEU HB2 59 LEU QD1 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 932, 933, 934,
&end
#
# 59 LEU HB2 59 LEU QD2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 927, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 936, 937, 938,
&end
#
# 59 LEU HB2 60 ALA HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 927, 942, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 59 LEU HB3 59 LEU QD2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 936, 937, 938,
&end
#
# 59 LEU HB3 60 ALA HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 928, 942, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 59 LEU HG 60 ALA HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 59 LEU HN 59 LEU HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 923, 927, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 59 LEU HN 59 LEU HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 923, 928, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 59 LEU HN 59 LEU HG 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 59 LEU HN 59 LEU QD1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 932, 933, 934,
&end
#
# 59 LEU HN 59 LEU QD2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 936, 937, 938,
&end
#
# 59 LEU HN 60 ALA HA 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 923, 944, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 59 LEU HN 60 ALA HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 923, 942, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 59 LEU HN 60 ALA QB 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 946, 947, 948,
&end
#
# 59 LEU HN 61 GLN HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 923, 952, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 59 LEU QD1 60 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 932, 933, 934,
&end
#
# 59 LEU QD1 60 ALA HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 932, 933, 934,
&end
#
# 59 LEU QD1 75 VAL QQG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 932, 933, 934,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 59 LEU QD2 74 LYS+ HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 936, 937, 938,
&end
#
# 59 LEU QD2 75 VAL HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 936, 937, 938,
&end
#
# 59 LEU QD2 75 VAL QQG 1.80 2.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 936, 937, 938,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 60 ALA HA 61 GLN HN 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 944, 952, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 60 ALA HN 60 ALA QB 1.80 2.70
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
igr2= 946, 947, 948,
&end
#
# 60 ALA HN 61 GLN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 956, 957,
&end
#
# 60 ALA QB 61 GLN HA 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 946, 947, 948,
&end
#
# 60 ALA QB 61 GLN HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 946, 947, 948,
&end
#
# 61 GLN HA 61 GLN HG2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 61 GLN HA 61 GLN HG3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 954, 960, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 61 GLN HA 61 GLN QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 959, 960,
&end
#
# 61 GLN HA 62 SER HN 1.80 2.73
&rst
ixpk= 0, nxpk= 0, iat= 954, 969, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 61 GLN HA 62 SER QB 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 973, 974,
&end
#
# 61 GLN HA 63 ARG+ HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 954, 980, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 61 GLN HB2 64 HIS HE1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 956,1014, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 61 GLN HB3 64 HIS HE1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 957,1014, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 61 GLN HE21 64 HIS HA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 964,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 61 GLN HE22 64 HIS HA 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 965,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 61 GLN HG2 61 GLN HE21 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 959, 964, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 GLN HG2 61 GLN HE22 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 959, 965, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 GLN HG2 62 SER HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 959, 969, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 61 GLN HG2 63 ARG+ HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 959, 980, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 61 GLN HG2 64 HIS HE1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 959,1014, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 61 GLN HG3 61 GLN HE21 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 960, 964, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 GLN HG3 61 GLN HE22 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 960, 965, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 61 GLN HG3 62 SER HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 960, 969, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 61 GLN HG3 63 ARG+ HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 960, 980, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 61 GLN HG3 64 HIS HE1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 960,1014, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 61 GLN HN 61 GLN HB2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 952, 956, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 61 GLN HN 61 GLN HB3 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 952, 957, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 61 GLN HN 61 GLN QB 1.80 2.71
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
igr2= 956, 957,
&end
#
# 61 GLN HN 62 SER HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 952, 969, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 GLN HN 64 HIS HE1 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 952,1014, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 61 GLN QB 61 GLN QE2 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= 956, 957,
igr2= 964, 965,
&end
#
# 61 GLN QB 64 HIS HD2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 956, 957,
&end
#
# 61 GLN QB 64 HIS HE1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 956, 957,
&end
#
# 61 GLN QE2 64 HIS HA 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1006, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 964, 965,
&end
#
# 61 GLN QE2 65 GLU- HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 964, 965,
&end
#
# 61 GLN QG 61 GLN QE2 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr1= 959, 960,
igr2= 964, 965,
&end
#
# 61 GLN QG 62 SER HA 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 959, 960,
&end
#
# 61 GLN QG 62 SER HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1= 959, 960,
&end
#
# 61 GLN QG 64 HIS HD2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 959, 960,
&end
#
# 61 GLN QG 64 HIS HE1 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1014, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 959, 960,
&end
#
# 62 SER HA 62 SER QB 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 973, 974,
&end
#
# 62 SER HN 62 SER QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 973, 974,
&end
#
# 62 SER HN 63 ARG+ HN 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 969, 980, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 62 SER QB 63 ARG+ HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 973, 974,
&end
#
# 62 SER QB 63 ARG+ QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 973, 974,
igr2= 984, 985,
&end
#
# 63 ARG+ HA 63 ARG+ HG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 ARG+ HA 63 ARG+ HG3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 982, 988, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 ARG+ HA 63 ARG+ QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 990, 991,
&end
#
# 63 ARG+ HA 63 ARG+ QG 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 987, 988,
&end
#
# 63 ARG+ HA 64 HIS HD2 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= 982,1017, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 63 ARG+ HA 64 HIS HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 982,1004, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 63 ARG+ HB2 63 ARG+ QD 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 990, 991,
&end
#
# 63 ARG+ HB2 64 HIS HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 984,1004, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 63 ARG+ HB3 63 ARG+ QD 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 985, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 990, 991,
&end
#
# 63 ARG+ HB3 64 HIS HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 985,1004, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 63 ARG+ HG2 64 HIS HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 987,1004, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 63 ARG+ HG3 64 HIS HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 988,1004, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 63 ARG+ HN 63 ARG+ HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 63 ARG+ HN 63 ARG+ HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 63 ARG+ HN 63 ARG+ HG2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 63 ARG+ HN 63 ARG+ HG3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 980, 988, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 63 ARG+ HN 63 ARG+ QB 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 984, 985,
&end
#
# 63 ARG+ HN 63 ARG+ QD 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2= 990, 991,
&end
#
# 63 ARG+ HN 64 HIS HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 980,1004, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 63 ARG+ QB 63 ARG+ HE 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 993, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 984, 985,
&end
#
# 63 ARG+ QB 63 ARG+ QD 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr1= 984, 985,
igr2= 990, 991,
&end
#
# 63 ARG+ QB 64 HIS HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 984, 985,
&end
#
# 63 ARG+ QD 70 THR 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= 990, 991,
igr2=1106,1107,1108,
&end
#
# 63 ARG+ QG 64 HIS HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 987, 988,
&end
#
# 64 HIS HA 64 HIS HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1006,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 64 HIS HA 65 GLU- HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1006,1021, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 64 HIS HA 71 ILE QD1 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1006, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2=1127,1128,1129,
&end
#
# 64 HIS HB2 65 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1008,1021, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 64 HIS HB2 71 ILE HG12 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1008,1124, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 HIS HB2 71 ILE HG13 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1008,1125, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 HIS HB2 71 ILE HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1008,1114, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 64 HIS HB2 71 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1127,1128,1129,
&end
#
# 64 HIS HB2 73 PRO HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1008,1150, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 64 HIS HB3 65 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1009,1021, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 64 HIS HB3 71 ILE HG12 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1009,1124, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 HIS HB3 71 ILE HG13 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1009,1125, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 64 HIS HB3 71 ILE HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1009,1114, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 64 HIS HB3 71 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1127,1128,1129,
&end
#
# 64 HIS HB3 73 PRO HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1009,1150, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 64 HIS HD2 71 ILE QG1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1124,1125,
&end
#
# 64 HIS HD2 73 PRO HD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1017,1146, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 64 HIS HD2 73 PRO HD3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1017,1147, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 64 HIS HD2 73 PRO HG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1017,1149, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 64 HIS HD2 73 PRO HG3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1017,1150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 64 HIS HN 64 HIS HB2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1004,1008, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 64 HIS HN 64 HIS HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 64 HIS HN 64 HIS HD2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1004,1017, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 HIS HN 64 HIS QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1008,1009,
&end
#
# 64 HIS HN 65 GLU- HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1004,1021, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 64 HIS HN 70 THR QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1106,1107,1108,
&end
#
# 64 HIS QB 65 GLU- HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1008,1009,
&end
#
# 64 HIS QB 65 GLU- HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1008,1009,
&end
#
# 64 HIS QB 71 ILE HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1008,1009,
&end
#
# 64 HIS QB 71 ILE QD1 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1=1008,1009,
igr2=1127,1128,1129,
&end
#
# 64 HIS QB 71 ILE QG1 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=1008,1009,
igr2=1124,1125,
&end
#
# 64 HIS QB 71 ILE QG2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1=1008,1009,
igr2=1120,1121,1122,
&end
#
# 64 HIS QB 73 PRO HD3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1008,1009,
&end
#
# 65 GLU- HA 65 GLU- QG 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1028,1029,
&end
#
# 65 GLU- HA 66 LEU HN 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 65 GLU- HA 69 LYS+ HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1023,1078, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 65 GLU- HA 70 THR HA 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1023,1102, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 65 GLU- HA 70 THR HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1023,1100, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 65 GLU- HA 70 THR QG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1106,1107,1108,
&end
#
# 65 GLU- HA 71 ILE HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1023,1114, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 65 GLU- HA 71 ILE QD1 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1127,1128,1129,
&end
#
# 65 GLU- HA 71 ILE QG1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1124,1125,
&end
#
# 65 GLU- HA 71 ILE QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1120,1121,1122,
&end
#
# 65 GLU- HB2 66 LEU HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1025,1036, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 65 GLU- HB3 66 LEU HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1026,1036, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 65 GLU- HN 65 GLU- HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1021,1025, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 GLU- HN 65 GLU- HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1021,1026, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 65 GLU- HN 65 GLU- QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2=1025,1026,
&end
#
# 65 GLU- HN 65 GLU- QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1028,1029,
&end
#
# 65 GLU- HN 71 ILE QD1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1021, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1127,1128,1129,
&end
#
# 65 GLU- QB 66 LEU HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1025,1026,
&end
#
# 65 GLU- QG 66 LEU HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr1=1028,1029,
&end
#
# 65 GLU- QG 68 SER HA 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1069, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1028,1029,
&end
#
# 65 GLU- QG 68 SER HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1028,1029,
&end
#
# 65 GLU- QG 69 LYS+ HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1028,1029,
&end
#
# 65 GLU- QG 70 THR HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1102, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1028,1029,
&end
#
# 65 GLU- QG 71 ILE HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1=1028,1029,
&end
#
# 66 LEU HA 66 LEU QD1 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1045,1046,1047,
&end
#
# 66 LEU HA 66 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1049,1050,1051,
&end
#
# 66 LEU HA 67 ASP- HN 1.80 2.65
&rst
ixpk= 0, nxpk= 0, iat=1038,1055, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 66 LEU HA 68 SER HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1038,1067, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 66 LEU HA 69 LYS+ HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1038,1078, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 66 LEU HB2 66 LEU QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1045,1046,1047,
&end
#
# 66 LEU HB2 67 ASP- HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1040,1055, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 66 LEU HB2 71 ILE QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1120,1121,1122,
&end
#
# 66 LEU HB3 66 LEU QD1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1045,1046,1047,
&end
#
# 66 LEU HB3 69 LYS+ HN 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat=1041,1078, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 66 LEU HB3 71 ILE QD1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1127,1128,1129,
&end
#
# 66 LEU HB3 71 ILE QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1041, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1120,1121,1122,
&end
#
# 66 LEU HG 67 ASP- HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1043,1059, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 66 LEU HG 67 ASP- HB3 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 66 LEU HG 67 ASP- HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1043,1055, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 66 LEU HG 67 ASP- QB 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2=1059,1060,
&end
#
# 66 LEU HN 66 LEU HB2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 66 LEU HN 66 LEU HB3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat=1036,1041, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 66 LEU HN 66 LEU QD1 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1045,1046,1047,
&end
#
# 66 LEU HN 66 LEU QD2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr2=1049,1050,1051,
&end
#
# 66 LEU HN 67 ASP- HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat=1036,1055, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 66 LEU HN 69 LYS+ HB2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1036,1082, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 66 LEU HN 69 LYS+ HN 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1036,1078, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 66 LEU HN 71 ILE HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1036,1114, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 66 LEU HN 71 ILE QD1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1127,1128,1129,
&end
#
# 66 LEU HN 71 ILE QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1120,1121,1122,
&end
#
# 66 LEU QD1 67 ASP- HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr1=1045,1046,1047,
&end
#
# 66 LEU QD1 68 SER HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1067, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1045,1046,1047,
&end
#
# 66 LEU QD2 67 ASP- HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1049,1050,1051,
&end
#
# 67 ASP- HA 68 SER HA 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1057,1069, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 67 ASP- HA 68 SER HN 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1057,1067, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 67 ASP- HA 69 LYS+ HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1057,1078, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 67 ASP- HN 67 ASP- HA 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1055,1057, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 67 ASP- HN 67 ASP- QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1059,1060,
&end
#
# 67 ASP- HN 68 SER HA 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat=1055,1069, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 67 ASP- HN 68 SER HN 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1055,1067, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 67 ASP- HN 69 LYS+ HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1055,1078, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 67 ASP- QB 68 SER QB 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=1059,1060,
igr2=1071,1072,
&end
#
# 68 SER HA 69 LYS+ HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1069,1078, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 68 SER HB2 69 LYS+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1071,1078, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 68 SER HB3 69 LYS+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1072,1078, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 68 SER HN 68 SER HA 1.80 2.72
&rst
ixpk= 0, nxpk= 0, iat=1067,1069, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 68 SER HN 68 SER HB2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1067,1071, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 68 SER HN 68 SER HB3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1067,1072, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 68 SER HN 69 LYS+ HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1067,1078, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 68 SER QB 69 LYS+ HG2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1071,1072,
&end
#
# 68 SER QB 69 LYS+ HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1071,1072,
&end
#
# 69 LYS+ HA 69 LYS+ HD2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 LYS+ HA 69 LYS+ HD3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 LYS+ HA 70 THR HB 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat=1080,1104, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 69 LYS+ HA 70 THR HN 1.80 2.93
&rst
ixpk= 0, nxpk= 0, iat=1080,1100, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 69 LYS+ HB2 71 ILE QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1120,1121,1122,
&end
#
# 69 LYS+ HB3 70 THR HN 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1083,1100, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 69 LYS+ HB3 71 ILE QG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1083, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1120,1121,1122,
&end
#
# 69 LYS+ HG2 70 THR HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1085,1100, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 69 LYS+ HG3 70 THR HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1086,1100, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 69 LYS+ HG3 71 ILE QG2 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1120,1121,1122,
&end
#
# 69 LYS+ HN 69 LYS+ HB2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 69 LYS+ HN 69 LYS+ HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1078,1083, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 69 LYS+ HN 69 LYS+ HG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1078,1085, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 69 LYS+ HN 69 LYS+ HG3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1078,1086, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 69 LYS+ HN 70 THR HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1078,1100, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 69 LYS+ HN 71 ILE QG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2=1120,1121,1122,
&end
#
# 69 LYS+ QD 70 THR HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1088,1089,
&end
#
# 70 THR HA 70 THR QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1106,1107,1108,
&end
#
# 70 THR HA 71 ILE HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1102,1114, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 70 THR HA 71 ILE QG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1102, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1120,1121,1122,
&end
#
# 70 THR HB 71 ILE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 THR HB 71 ILE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1104,1114, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 70 THR HN 70 THR HB 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 70 THR HN 70 THR QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1100, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1106,1107,1108,
&end
#
# 70 THR HN 71 ILE HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 70 THR QG2 71 ILE HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1114, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1106,1107,1108,
&end
#
# 71 ILE HA 71 ILE QD1 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1127,1128,1129,
&end
#
# 71 ILE HA 71 ILE QG2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1116, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1120,1121,1122,
&end
#
# 71 ILE HA 72 ASP- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1116,1133, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 71 ILE HB 71 ILE QD1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1118, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1127,1128,1129,
&end
#
# 71 ILE HB 72 ASP- HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 71 ILE HB 73 PRO HG3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1118,1150, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 71 ILE HN 71 ILE HG12 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1114,1124, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 71 ILE HN 71 ILE HG13 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 71 ILE HN 71 ILE QD1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1127,1128,1129,
&end
#
# 71 ILE HN 71 ILE QG1 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2=1124,1125,
&end
#
# 71 ILE HN 71 ILE QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2=1120,1121,1122,
&end
#
# 71 ILE QD1 72 ASP- HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1127,1128,1129,
&end
#
# 71 ILE QD1 73 PRO HD2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1127,1128,1129,
&end
#
# 71 ILE QD1 73 PRO HD3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1127,1128,1129,
&end
#
# 71 ILE QD1 73 PRO HG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1127,1128,1129,
&end
#
# 71 ILE QD1 73 PRO HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1127,1128,1129,
&end
#
# 71 ILE QG1 73 PRO HD3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1=1124,1125,
&end
#
# 71 ILE QG2 71 ILE QD1 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1120,1121,1122,
igr2=1127,1128,1129,
&end
#
# 71 ILE QG2 72 ASP- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1133, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1120,1121,1122,
&end
#
# 72 ASP- HA 73 PRO HD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1135,1146, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 72 ASP- HA 73 PRO HD3 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 72 ASP- HA 73 PRO HG3 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 72 ASP- HN 72 ASP- HB2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 72 ASP- HN 72 ASP- HB3 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 72 ASP- HN 72 ASP- QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1133, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1137,1138,
&end
#
# 72 ASP- HN 73 PRO HD3 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 73 PRO HA 74 LYS+ HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 73 PRO HA 74 LYS+ QG 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1166,1167,
&end
#
# 73 PRO HB3 74 LYS+ HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1153,1159, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 74 LYS+ HA 75 VAL HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1161,1181, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 74 LYS+ HA 75 VAL QQG 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 74 LYS+ HB2 75 VAL HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1163,1181, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 74 LYS+ HB3 75 VAL HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1164,1181, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 74 LYS+ HN 74 LYS+ QE 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2=1172,1173,
&end
#
# 74 LYS+ HN 74 LYS+ QG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1166,1167,
&end
#
# 74 LYS+ QB 74 LYS+ QD 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1163,1164,
igr2=1169,1170,
&end
#
# 74 LYS+ QB 74 LYS+ QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1163,1164,
igr2=1172,1173,
&end
#
# 74 LYS+ QB 75 VAL QQG 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
igr1=1163,1164,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 74 LYS+ QG 74 LYS+ QE 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1166,1167,
igr2=1172,1173,
&end
#
# 74 LYS+ QG 75 VAL HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1181, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1166,1167,
&end
#
# 75 VAL HA 75 VAL QG1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1187,1188,1189,
&end
#
# 75 VAL HA 75 VAL QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1191,1192,1193,
&end
#
# 75 VAL HA 75 VAL QQG 1.80 2.74
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 75 VAL HA 76 ALA HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1183,1197, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 75 VAL HA 76 ALA QB 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1183, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1201,1202,1203,
&end
#
# 75 VAL HB 76 ALA HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1185,1197, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 75 VAL HN 75 VAL HB 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 75 VAL HN 75 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1187,1188,1189,
&end
#
# 75 VAL HN 75 VAL QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1191,1192,1193,
&end
#
# 75 VAL HN 75 VAL QQG 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1187,1188,1189,1191,1192,1193,
&end
#
# 75 VAL QG1 76 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1187,1188,1189,
&end
#
# 75 VAL QG2 76 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1191,1192,1193,
&end
#
# 75 VAL QQG 76 ALA HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1197, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1187,1188,1189,1191,1192,1193,
&end
#
# 76 ALA HN 76 ALA QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1201,1202,1203,
&end
#
# 76 ALA QB 77 PHE HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1201,1202,1203,
&end
#
# 77 PHE HA 77 PHE QD 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1215,1223,
&end
#
# 77 PHE HA 78 PRO HD2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1209,1228, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 77 PHE HA 78 PRO HD3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1209,1229, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 77 PHE HA 78 PRO QD 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2=1228,1229,
&end
#
# 77 PHE HA 78 PRO QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1209, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1231,1232,
&end
#
# 77 PHE HB2 78 PRO QD 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1211, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1228,1229,
&end
#
# 77 PHE HB3 78 PRO HD2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1212,1228, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 77 PHE HB3 78 PRO HD3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1212,1229, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 77 PHE HB3 78 PRO QD 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1212, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1228,1229,
&end
#
# 77 PHE HN 77 PHE QD 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1207, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1215,1223,
&end
#
# 77 PHE QD 78 PRO HD2 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1228, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1215,1223,
&end
#
# 77 PHE QD 78 PRO HD3 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1229, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1215,1223,
&end
#
# 78 PRO HA 79 ARG+ HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1237,1241, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 78 PRO HB2 79 ARG+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1234,1241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 78 PRO HB3 79 ARG+ HN 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1235,1241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 78 PRO QB 79 ARG+ HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1234,1235,
&end
#
# 78 PRO QG 79 ARG+ HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1231,1232,
&end
#
# 79 ARG+ HA 79 ARG+ QG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1243, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1248,1249,
&end
#
# 79 ARG+ HA 80 ARG+ HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1243,1265, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 79 ARG+ HB2 80 ARG+ HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1245,1265, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 79 ARG+ HB3 80 ARG+ HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1246,1265, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 79 ARG+ HN 79 ARG+ HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1241,1245, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 79 ARG+ HN 79 ARG+ HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1241,1246, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 79 ARG+ HN 79 ARG+ QB 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1245,1246,
&end
#
# 79 ARG+ HN 79 ARG+ QG 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2=1248,1249,
&end
#
# 79 ARG+ HN 80 ARG+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1241,1265, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 79 ARG+ QB 79 ARG+ QD 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1245,1246,
igr2=1251,1252,
&end
#
# 79 ARG+ QB 80 ARG+ HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1245,1246,
&end
#
# 80 ARG+ HA 80 ARG+ HD2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1267,1275, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 80 ARG+ HA 80 ARG+ HD3 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1267,1276, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 80 ARG+ HA 80 ARG+ QG 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1272,1273,
&end
#
# 80 ARG+ HA 81 ALA HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1267,1289, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 80 ARG+ HA 81 ALA QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1293,1294,1295,
&end
#
# 80 ARG+ HB2 80 ARG+ QG 1.80 2.64
&rst
ixpk= 0, nxpk= 0, iat=1269, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2=1272,1273,
&end
#
# 80 ARG+ HB3 80 ARG+ QG 1.80 2.64
&rst
ixpk= 0, nxpk= 0, iat=1270, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2=1272,1273,
&end
#
# 80 ARG+ HN 80 ARG+ HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 80 ARG+ HN 80 ARG+ HB3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1265,1270, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 80 ARG+ HN 80 ARG+ QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1269,1270,
&end
#
# 80 ARG+ HN 80 ARG+ QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1272,1273,
&end
#
# 80 ARG+ QB 80 ARG+ QD 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr1=1269,1270,
igr2=1275,1276,
&end
#
# 80 ARG+ QB 81 ALA HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1269,1270,
&end
#
# 80 ARG QD 46 PHE QE 5.50 100
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 5.00, r2= 5.50, r3=125.99, r4=126.49,
igr1=1275,1276,
igr2= 734, 738,
&end
#
# 80 ARG+ QG 81 ALA HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1289, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1272,1273,
&end
#
# 81 ALA HA 82 GLN HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1291,1299, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 ALA HN 81 ALA QB 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1289, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1293,1294,1295,
&end
#
# 81 ALA HN 82 GLN HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat=1289,1299, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 81 ALA QB 82 GLN HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1293,1294,1295,
&end
#
# 82 GLN HA 82 GLN QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1301, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1306,1307,
&end
#
# 82 GLN HA 83 PRO HD2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1301,1317, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 82 GLN HA 83 PRO HD3 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1301,1318, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 82 GLN HN 82 GLN HB2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1299,1303, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 82 GLN HN 82 GLN HB3 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 82 GLN HN 82 GLN QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2=1303,1304,
&end
#
# 82 GLN HN 82 GLN QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1306,1307,
&end
#
# 82 GLN QB 83 PRO QD 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1=1303,1304,
igr2=1317,1318,
&end
#
# 83 PRO HA 84 LYS+ HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 83 PRO QB 84 LYS+ HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1330, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1323,1324,
&end
#
# 84 LYS+ HN 84 LYS+ QG 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat=1330, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1337,1338,
&end
#
# 85 RG H1' 10 TRP HE1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1361, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 RG H1' 10 TRP HZ2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1361, 150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 85 RG H1' 69 LYS QE 6.00 100
&rst
ixpk= 0, nxpk= 0, iat=1361, -1, r1= 5.50, r2= 6.00, r3=112.25, r4=112.75,
igr2=1091,1092,
&end
#
# 85 RG H1' 85 RG H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1361,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 85 RG H2' 10 TRP HE1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1380, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 RG H2' 69 LYS QE 6.00 100
&rst
ixpk= 0, nxpk= 0, iat=1380, -1, r1= 5.50, r2= 6.00, r3=112.25, r4=112.75,
igr2=1091,1092,
&end
#
# 85 RG H2' 85 RG H8 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1380,1364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 RG H4' 10 TRP HE1 5.00 100
&rst
ixpk= 0, nxpk= 0, iat=1358, 147, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50, &end
#
# 85 RG H4' 10 TRP HZ2 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1358, 150, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 85 RG H4' 10 TRP HZ3 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1358, 154, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 85 RG H8 10 TRP HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 RG H8 10 TRP HD1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1364, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 RG H8 10 TRP HE1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1364, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 RG H8 10 TRP HH2 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1364, 152, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 85 RG H8 10 TRP HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1364, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 RG H8 10 TRP HZ2 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1364, 150, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 85 RG H8 10 TRP HZ3 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1364, 154, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 85 RG H8 10 TRP QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 141, 142,
&end
#
# 85 RG H8 69 LYS QD 1.80 6.50
&rst
ixpk= 0, nxpk= 0, iat=1364, -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
igr2=1088,1089,
&end
#
# 85 RG H8 9 SER HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1364, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 85 RG H8 9 SER HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1364, 126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 RU H1' 44 PHE QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 701, 702,
&end
#
# 86 RU H1' 6 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395, 93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 RU H1' 6 GLY QA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 95, 96,
&end
#
# 86 RU H1' 7 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1395, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 86 RU H1' 7 GLY QA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1395, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 102, 103,
&end
#
# 86 RU H1' 86 RU H6 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1395,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 RU H2' 6 GLY QA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 95, 96,
&end
#
# 86 RU H2' 7 GLY QA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1410, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 102, 103,
&end
#
# 86 RU H2' 86 RU H5 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1410,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 RU H2' 86 RU H6 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1410,1398, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 86 RU H2' 8 LEU HN 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1410, 107, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 86 RU H3' 86 RU H6 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1408,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 86 RU H4' 44 PHE QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1392, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 701, 702,
&end
#
# 86 RU H4' 4 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1392, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 RU H5 7 GLY QA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1400, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 102, 103,
&end
#
# 86 RU H6 7 GLY HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1398, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 RU H6 7 GLY QA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1398, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 102, 103,
&end
#
# 87 RA H1' 44 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 707, 711,
&end
#
# 87 RA H1' 46 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1425, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 RA H1' 46 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 734, 738,
&end
#
# 87 RA H1' 4 PHE QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 58, 59,
&end
#
# 87 RA H1' 77 PHE QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1215,1223,
&end
#
# 87 RA H1' 77 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1425, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1217,1221,
&end
#
# 87 RA H1' 87 RA H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1425,1428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 RA H2 46 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1437, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 RA H2 46 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 732, 740,
&end
#
# 87 RA H2 46 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 734, 738,
&end
#
# 87 RA H2 76 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1437,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 RA H2 76 ALA QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1201,1202,1203,
&end
#
# 87 RA H2 77 PHE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1437,1207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 RA H2 77 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1437, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1215,1223,
&end
#
# 87 RA H2' 87 RA H8 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1443,1428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 87 RA H3' 87 RA H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1441,1428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 87 RA H4' 44 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1422, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 RA H4' 44 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 707, 711,
&end
#
# 87 RA H4' 46 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1422, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 RA H8 4 PHE HZ 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1428, 66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 RA H8 77 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1428, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1217,1221,
&end
#
# 87 RA Q6 74 LYS QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1433,1434,
igr2=1163,1164,
&end
#
# 87 RA Q6 74 LYS QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1433,1434,
igr2=1169,1170,
&end
#
# 87 RA Q6 74 LYS QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1433,1434,
igr2=1172,1173,
&end
#
# 87 RA Q6 74 LYS QG 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1433,1434,
igr2=1166,1167,
&end
#
# 87 RA Q6 76 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1433,1434,
&end
#
# 87 RA Q6 76 ALA 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=1433,1434,
igr2=1201,1202,1203,
&end
#
# 87 RA Q6 77 PHE HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1433,1434,
&end
#
# 88 RG H1' 31 LEU QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 483, 484, 485,
&end
#
# 88 RG H1' 33 MET QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1458, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 520, 521, 522,
&end
#
# 88 RG H1' 88 RG H8 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1458,1461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 RG H2' 33 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 520, 521, 522,
&end
#
# 88 RG H2' 44 PHE HA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1477, 699, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 88 RG H2' 46 PHE HZ 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1477, 736, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 88 RG H2' 46 PHE QD 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 732, 740,
&end
#
# 88 RG H2' 46 PHE QE 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1477, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 734, 738,
&end
#
# 88 RG H2' 89 RU H5 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1477,1497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 RG H2' 89 RU H6 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1477,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 88 RG H3' 33 MET QE 4.50 100
&rst
ixpk= 0, nxpk= 0, iat=1475, -1, r1= 4.00, r2= 4.50, r3=120.09, r4=120.59,
igr2= 520, 521, 522,
&end
#
# 88 RG H8 31 LEU QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 483, 484, 485,
&end
#
# 88 RG H8 31 LEU QD2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 487, 488, 489,
&end
#
# 88 RG H8 33 MET QE 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 520, 521, 522,
&end
#
# 88 RG H8 46 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1461, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 88 RG H8 46 PHE QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 732, 740,
&end
#
# 88 RG H8 46 PHE QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1461, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 734, 738,
&end
#
# 88 RG H8 88 RG H3' 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1461,1475, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 89 RU H1' 46 PHE HZ 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492, 736, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 89 RU H1' 46 PHE QD 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 732, 740,
&end
#
# 89 RU H1' 46 PHE QE 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 734, 738,
&end
#
# 89 RU H1' 77 PHE HA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492,1209, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 89 RU H1' 77 PHE HZ 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492,1219, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 89 RU H1' 77 PHE QB 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2=1211,1212,
&end
#
# 89 RU H1' 77 PHE QD 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2=1215,1223,
&end
#
# 89 RU H1' 77 PHE QE 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1492, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2=1217,1221,
&end
#
# 89 RU H1' 89 RU H6 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1492,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H2' 46 PHE HZ 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1507, 736, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 89 RU H2' 46 PHE QD 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 732, 740,
&end
#
# 89 RU H2' 46 PHE QE 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1507, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2= 734, 738,
&end
#
# 89 RU H2' 88 RG H8 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1507,1461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H2' 89 RU H6 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1507,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 89 RU H3' 89 RU H6 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1505,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 89 RU H5 81 ALA HA 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1497,1291, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50, &end
#
# 89 RU H6 33 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 520, 521, 522,
&end
#
# 89 RU H6 33 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 520, 521, 522,
&end
#
# 89 RU H6 79 ARG QD 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2=1251,1252,
&end
#
# 89 RU H6 80 ARG QD 5.50 100
&rst
ixpk= 0, nxpk= 0, iat=1495, -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
igr2=1275,1276,
&end
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