Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
535316 | 2rs6 RC | 11456 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
#
# 7 GLY HA2 10 ASN HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 7 GLY HA2 10 ASN HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 64, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLY HA3 10 ASN HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 65, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLY HA3 10 ASN HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 65, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 GLY HN 8 ILE HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 62, 69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 GLY QA 9 LYS+ HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 64, 65,
&end
#
# 8 ILE HA 11 PHE HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 71, 128, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 8 ILE HA 11 PHE HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 71, 129, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 8 ILE HA 11 PHE HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 71, 124, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 8 ILE HA 11 PHE QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 128, 129,
&end
#
# 8 ILE HA 11 PHE QD 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 132, 140,
&end
#
# 8 ILE HA 12 LEU HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 71, 144, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 8 ILE HA 84 VAL QG1 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2=1301,1302,1303,
&end
#
# 8 ILE HA 85 PRO HG2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 71,1315, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 8 ILE HA 85 PRO HG3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 71,1316, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 8 ILE HA 85 PRO QD 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1312,1313,
&end
#
# 8 ILE HA 8 ILE QD1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 82, 83, 84,
&end
#
# 8 ILE HA 8 ILE QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 75, 76, 77,
&end
#
# 8 ILE HB 8 ILE QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 82, 83, 84,
&end
#
# 8 ILE HB 9 LYS+ HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 73, 88, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 8 ILE HG12 67 ARG+ HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 79,1004, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 8 ILE HG12 67 ARG+ HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 79,1002, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 8 ILE HG12 67 ARG+ QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1006,1007,
&end
#
# 8 ILE HG12 67 ARG+ QD 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2=1012,1013,
&end
#
# 8 ILE HG13 12 LEU HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 80, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ILE HG13 66 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 996, 997, 998,
&end
#
# 8 ILE HG13 67 ARG+ HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 80,1004, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 8 ILE HG13 67 ARG+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 80,1002, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 ILE HG13 70 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 80,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ILE HG13 9 LYS+ HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 80, 88, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 8 ILE HN 8 ILE HB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 8 ILE HN 8 ILE HG13 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat= 69, 80, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 8 ILE HN 8 ILE QD1 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 82, 83, 84,
&end
#
# 8 ILE HN 8 ILE QG2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 69, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 75, 76, 77,
&end
#
# 8 ILE HN 9 LYS+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 69, 88, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 8 ILE QD1 11 PHE HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 11 PHE QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 82, 83, 84,
igr2= 128, 129,
&end
#
# 8 ILE QD1 11 PHE QD 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 82, 83, 84,
igr2= 132, 140,
&end
#
# 8 ILE QD1 11 PHE QE 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 82, 83, 84,
igr2= 134, 138,
&end
#
# 8 ILE QD1 12 LEU HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 67 ARG+ HA 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 67 ARG+ HD2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1012, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 67 ARG+ HD3 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1013, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 67 ARG+ HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 67 ARG+ QD 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 82, 83, 84,
igr2=1012,1013,
&end
#
# 8 ILE QD1 70 VAL HB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1062, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 70 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 70 VAL QG2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 82, 83, 84,
igr2=1068,1069,1070,
&end
#
# 8 ILE QD1 84 VAL QG1 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 82, 83, 84,
igr2=1301,1302,1303,
&end
#
# 8 ILE QD1 85 PRO HD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 85 PRO HD3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 82, 83, 84,
&end
#
# 8 ILE QD1 85 PRO QD 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 82, 83, 84,
igr2=1312,1313,
&end
#
# 8 ILE QD1 85 PRO QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 82, 83, 84,
igr2=1315,1316,
&end
#
# 8 ILE QG2 11 PHE HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 63 SER HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 959, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 63 SER QB 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= 75, 76, 77,
igr2= 961, 962,
&end
#
# 8 ILE QG2 66 ALA HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 66 ALA QB 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 75, 76, 77,
igr2= 996, 997, 998,
&end
#
# 8 ILE QG2 67 ARG+ HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 67 ARG+ HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 8 ILE HG13 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 9 LYS+ HA 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 90, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 75, 76, 77,
&end
#
# 8 ILE QG2 9 LYS+ HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 75, 76, 77,
&end
#
# 9 LYS+ HA 12 LEU HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 90, 149, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 9 LYS+ HA 12 LEU HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 90, 144, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 9 LYS+ HA 13 TYR HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 90, 163, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 LYS+ HA 9 LYS+ QD 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 98, 99,
&end
#
# 9 LYS+ HA 9 LYS+ QE 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 101, 102,
&end
#
# 9 LYS+ HA 9 LYS+ QG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 95, 96,
&end
#
# 9 LYS+ HB2 10 ASN HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 92, 110, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 9 LYS+ HB2 11 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 92, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LYS+ HB3 10 ASN HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 93, 110, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 9 LYS+ HB3 11 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 93, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 LYS HG2 10 ASN HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 95, 110, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 9 LYS HG3 10 ASN HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 96, 110, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 9 LYS+ HN 10 ASN HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 88, 110, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 9 LYS+ HN 11 PHE HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 88, 124, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 9 LYS+ HN 9 LYS+ HB2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 88, 92, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 9 LYS+ HN 9 LYS+ HB3 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 88, 93, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 9 LYS HN 9 LYS HD2 3.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 88, 98, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 9 LYS HN 9 LYS HD3 3.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 88, 99, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 9 LYS+ HN 9 LYS+ HG2 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 88, 95, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 LYS+ HN 9 LYS+ HG3 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 88, 96, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 9 LYS+ HN 9 LYS+ QB 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2= 92, 93,
&end
#
# 9 LYS+ HN 9 LYS+ QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 98, 99,
&end
#
# 9 LYS+ HN 9 LYS+ QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 95, 96,
&end
#
# 9 LYS+ QB 10 ASN HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 110, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 92, 93,
&end
#
# 9 LYS+ QB 9 LYS+ 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= 92, 93,
igr2= 98, 99,
&end
#
# 9 LYS+ QB 9 LYS+ QE 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 92, 93,
igr2= 101, 102,
&end
#
# 9 LYS+ QD 12 LEU HB3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 149, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 98, 99,
&end
#
# 9 LYS+ QG 9 LYS+ QE 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= 95, 96,
igr2= 101, 102,
&end
#
# 10 ASN HA 13 TYR HB2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 112, 167, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 ASN HA 13 TYR HB3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 112, 168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 10 ASN HA 13 TYR HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 112, 163, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 10 ASN HA 13 TYR QD 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 171, 180,
&end
#
# 10 ASN HA 14 ALA HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 112, 184, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 10 ASN HB3 11 PHE HA 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 115, 126, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 10 ASN HB3 11 PHE HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 115, 124, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 10 ASN HB3 14 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 115, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ASN HB3 14 ALA QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 188, 189, 190,
&end
#
# 10 ASN HN 10 ASN HB2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 10 ASN HN 10 ASN HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 10 ASN HN 10 ASN QD2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 119, 120,
&end
#
# 10 ASN HN 11 PHE HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 110, 124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 PHE HA 11 PHE QD 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 132, 140,
&end
#
# 11 PHE HA 14 ALA HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 126, 184, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 11 PHE HA 14 ALA QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 188, 189, 190,
&end
#
# 11 PHE HA 15 TRP HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 126, 194, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 11 PHE HB2 12 LEU HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 128, 144, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 11 PHE HB2 70 VAL QG2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1068,1069,1070,
&end
#
# 11 PHE HB2 85 PRO HG2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 128,1315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 PHE HB2 85 PRO HG3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 128,1316, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 PHE HB3 12 LEU HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 129, 144, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 11 PHE HB3 70 VAL QG2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1068,1069,1070,
&end
#
# 11 PHE HB3 85 PRO HG2 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 129,1315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 PHE HB3 85 PRO HG3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 129,1316, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 PHE HN 11 PHE HB2 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 11 PHE HN 11 PHE HB3 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 11 PHE HN 11 PHE QD 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 132, 140,
&end
#
# 11 PHE HN 12 LEU HB2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 124, 148, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 11 PHE HN 12 LEU HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 124, 144, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 11 PHE HN 66 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 996, 997, 998,
&end
#
# 11 PHE HN 85 PRO QG 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2=1315,1316,
&end
#
# 11 PHE HZ 79 VAL QG1 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1222,1223,1224,
&end
#
# 11 PHE HZ 79 VAL QG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1226,1227,1228,
&end
#
# 11 PHE HZ 80 LYS+ HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 136,1232, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 11 PHE HZ 83 GLU- HB2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 136,1284, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 11 PHE HZ 83 GLU- HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 136,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HZ 83 GLU- HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 136,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HZ 84 VAL QG2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 136, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1305,1306,1307,
&end
#
# 11 PHE QB 12 LEU HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 128, 129,
&end
#
# 11 PHE QB 85 PRO QD 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 128, 129,
igr2=1312,1313,
&end
#
# 11 PHE QB 85 PRO QG 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= 128, 129,
igr2=1315,1316,
&end
#
# 11 PHE QD 12 LEU HA 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 132, 140,
&end
#
# 11 PHE QD 12 LEU HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 132, 140,
&end
#
# 11 PHE QD 15 TRP HN 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 132, 140,
&end
#
# 11 PHE QD 70 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= 132, 140,
igr2=1064,1065,1066,
&end
#
# 11 PHE QD 70 VAL QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 132, 140,
igr2=1068,1069,1070,
&end
#
# 11 PHE QD 79 VAL QG1 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= 132, 140,
igr2=1222,1223,1224,
&end
#
# 11 PHE QD 84 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= 132, 140,
igr2=1305,1306,1307,
&end
#
# 11 PHE QD 85 PRO HD2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 132, 140,
&end
#
# 11 PHE QD 85 PRO HD3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 132, 140,
&end
#
# 11 PHE QD 85 PRO QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 132, 140,
igr2=1312,1313,
&end
#
# 11 PHE QD 85 PRO QG 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= 132, 140,
igr2=1315,1316,
&end
#
# 11 PHE QE 12 LEU HA 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 146, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 134, 138,
&end
#
# 11 PHE QE 12 LEU HN 1.80 5.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 134, 138,
&end
#
# 11 PHE QE 70 VAL QG1 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= 134, 138,
igr2=1064,1065,1066,
&end
#
# 11 PHE QE 70 VAL 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= 134, 138,
igr2=1068,1069,1070,
&end
#
# 11 PHE QE 79 VAL QG1 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= 134, 138,
igr2=1222,1223,1224,
&end
#
# 11 PHE QE 79 VAL QG2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 134, 138,
igr2=1226,1227,1228,
&end
#
# 11 PHE QE 83 GLU- HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 134, 138,
&end
#
# 11 PHE QE 83 GLU- HB3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 134, 138,
&end
#
# 11 PHE QE 83 GLU- HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 134, 138,
&end
#
# 11 PHE QE 83 GLU- HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 134, 138,
&end
#
# 11 PHE QE 83 GLU- QG 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 134, 138,
igr2=1287,1288,
&end
#
# 11 PHE QE 84 VAL HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 134, 138,
&end
#
# 11 PHE QE 84 VAL QG1 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= 134, 138,
igr2=1301,1302,1303,
&end
#
# 11 PHE QE 84 VAL QG2 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= 134, 138,
igr2=1305,1306,1307,
&end
#
# 12 LEU HA 12 LEU QD1 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 153, 154, 155,
&end
#
# 12 LEU HA 15 TRP HB2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 146, 198, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 12 LEU HA 15 TRP HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 146, 199, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 12 LEU HA 15 TRP HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 146, 194, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 LEU HA 16 CYS HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 146, 218, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 LEU HA 70 VAL QG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1068,1069,1070,
&end
#
# 12 LEU HB2 12 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 153, 154, 155,
&end
#
# 12 LEU HB2 12 LEU QD2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 157, 158, 159,
&end
#
# 12 LEU HB2 66 ALA QB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 996, 997, 998,
&end
#
# 12 LEU HB2 69 PHE QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1046,1054,
&end
#
# 12 LEU HB2 70 VAL QG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1068,1069,1070,
&end
#
# 12 LEU HB3 12 LEU QD1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 153, 154, 155,
&end
#
# 12 LEU HB3 12 LEU QD2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 157, 158, 159,
&end
#
# 12 LEU HB3 13 TYR HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 12 LEU HB3 13 TYR HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 149, 163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 12 LEU HB3 66 ALA QB 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 996, 997, 998,
&end
#
# 12 LEU HB3 70 VAL QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1068,1069,1070,
&end
#
# 12 LEU HG 13 TYR HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 12 LEU HG 13 TYR HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 151, 163, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 12 LEU HN 12 LEU HB2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 12 LEU HN 12 LEU HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 12 LEU HN 12 LEU QD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 153, 154, 155,
&end
#
# 12 LEU HN 12 LEU QD2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 157, 158, 159,
&end
#
# 12 LEU HN 13 TYR HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat= 144, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 LEU HN 15 TRP HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 144, 194, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 12 LEU HN 66 ALA QB 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 996, 997, 998,
&end
#
# 12 LEU HN 70 VAL QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1068,1069,1070,
&end
#
# 12 LEU QD1 13 TYR HN 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 15 TRP HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 15 TRP HB3 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 15 TRP HE3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 15 TRP HN 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 15 TRP HZ3 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 16 CYS HB3 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 223, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 16 CYS HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 44 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 153, 154, 155,
igr2= 697, 698, 699,
&end
#
# 12 LEU QD1 66 ALA QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 153, 154, 155,
igr2= 996, 997, 998,
&end
#
# 12 LEU QD1 69 PHE QB 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 153, 154, 155,
igr2=1042,1043,
&end
#
# 12 LEU QD1 69 PHE QD 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 153, 154, 155,
igr2=1046,1054,
&end
#
# 12 LEU QD1 69 PHE QE 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 153, 154, 155,
igr2=1048,1052,
&end
#
# 12 LEU QD1 70 VAL HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1= 153, 154, 155,
&end
#
# 12 LEU QD1 70 VAL QG2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 153, 154, 155,
igr2=1068,1069,1070,
&end
#
# 12 LEU QD1 73 LEU QD1 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 153, 154, 155,
igr2=1118,1119,1120,
&end
#
# 12 LEU QD1 73 LEU QD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 153, 154, 155,
igr2=1122,1123,1124,
&end
#
# 12 LEU QD2 13 TYR HN 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 163, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 23 PRO HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 342, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 23 PRO HB3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 23 PRO QG 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr1= 157, 158, 159,
igr2= 339, 340,
&end
#
# 12 LEU QD2 25 TYR QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 157, 158, 159,
igr2= 369, 374,
&end
#
# 12 LEU QD2 42 VAL QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 157, 158, 159,
igr2= 653, 654, 655,
&end
#
# 12 LEU QD2 42 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 157, 158, 159,
igr2= 657, 658, 659,
&end
#
# 12 LEU QD2 44 VAL QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 157, 158, 159,
igr2= 697, 698, 699,
&end
#
# 12 LEU QD2 66 ALA HA 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 66 ALA HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 66 ALA QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 157, 158, 159,
igr2= 996, 997, 998,
&end
#
# 12 LEU QD2 69 PHE HB2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 69 PHE HB3 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 69 PHE HN 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 69 PHE QB 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= 157, 158, 159,
igr2=1042,1043,
&end
#
# 12 LEU QD2 69 PHE QD 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 157, 158, 159,
igr2=1046,1054,
&end
#
# 12 LEU QD2 70 VAL HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 157, 158, 159,
&end
#
# 12 LEU QD2 70 VAL QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 157, 158, 159,
igr2=1068,1069,1070,
&end
#
# 13 TYR HA 13 TYR QD 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 171, 180,
&end
#
# 13 TYR HA 16 CYS HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 165, 222, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 13 TYR HA 16 CYS HB3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 165, 223, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 13 TYR HA 16 CYS HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 165, 218, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 13 TYR HA 17 GLY HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 165, 229, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 13 TYR HA 23 PRO QD 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 336, 337,
&end
#
# 13 TYR HA 23 PRO QG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 339, 340,
&end
#
# 13 TYR HB2 14 ALA HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 13 TYR HB2 14 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 188, 189, 190,
&end
#
# 13 TYR HB3 14 ALA HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 168, 184, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 13 TYR HB3 14 ALA QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 168, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 188, 189, 190,
&end
#
# 13 TYR HN 13 TYR HB2 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 13 TYR HN 13 TYR HB3 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 13 TYR HN 13 TYR QD 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 171, 180,
&end
#
# 13 TYR HN 14 ALA HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 13 TYR HN 15 TRP HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 163, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 TYR QD 14 ALA HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 186, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 171, 180,
&end
#
# 13 TYR QD 14 ALA HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 184, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 171, 180,
&end
#
# 13 TYR QD 14 ALA QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 171, 180,
igr2= 188, 189, 190,
&end
#
# 13 TYR QD 16 CYS HB2 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 171, 180,
&end
#
# 13 TYR QD 22 THR QG2 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= 171, 180,
igr2= 327, 328, 329,
&end
#
# 13 TYR QD 23 PRO HD2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 171, 180,
&end
#
# 13 TYR QD 23 PRO HD3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 171, 180,
&end
#
# 13 TYR QD 23 PRO HG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 339, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 171, 180,
&end
#
# 13 TYR QD 23 PRO HG3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 340, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 171, 180,
&end
#
# 13 TYR QD 23 PRO QD 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 171, 180,
igr2= 336, 337,
&end
#
# 13 TYR QE 22 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= 173, 178,
igr2= 327, 328, 329,
&end
#
# 13 TYR QE 23 PRO QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 173, 178,
igr2= 336, 337,
&end
#
# 13 TYR QE 23 PRO QG 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 173, 178,
igr2= 339, 340,
&end
#
# 14 ALA HA 17 GLY HA3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 186, 232, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 14 ALA HA 17 GLY HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 186, 229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 14 ALA HA 18 LYS+ HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 186, 236, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 14 ALA HN 14 ALA QB 1.80 2.81
&rst
ixpk= 0, nxpk= 0, iat= 184, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 188, 189, 190,
&end
#
# 14 ALA HN 15 TRP HA 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 14 ALA HN 15 TRP HB3 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 14 ALA HN 15 TRP HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 184, 194, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 14 ALA HN 16 CYS HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 184, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 ALA QB 15 TRP HA 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 196, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 188, 189, 190,
&end
#
# 14 ALA QB 15 TRP HB2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 198, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 188, 189, 190,
&end
#
# 14 ALA QB 15 TRP HB3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 188, 189, 190,
&end
#
# 14 ALA QB 15 TRP HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 188, 189, 190,
&end
#
# 14 ALA QB 16 CYS HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 188, 189, 190,
&end
#
# 14 ALA QB 17 GLY HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 188, 189, 190,
&end
#
# 15 TRP HA 15 TRP HD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 15 TRP HA 15 TRP HE1 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= 196, 204, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 15 TRP HA 17 GLY HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 196, 229, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 15 TRP HA 18 LYS+ HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 196, 236, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 15 TRP HA 18 LYS+ QB 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 240, 241,
&end
#
# 15 TRP HA 18 LYS+ QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 243, 244,
&end
#
# 15 TRP HB2 15 TRP HD1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 15 TRP HB2 16 CYS HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 198, 218, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 15 TRP HB3 15 TRP HE3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 15 TRP HB3 15 TRP HZ3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 15 TRP HB3 16 CYS HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 15 TRP HD1 79 VAL QG1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1222,1223,1224,
&end
#
# 15 TRP HD1 79 VAL QG2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1226,1227,1228,
&end
#
# 15 TRP HE1 19 ARG+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 265, 266,
&end
#
# 15 TRP HE1 73 LEU QD1 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2=1118,1119,1120,
&end
#
# 15 TRP HE1 73 LEU QD2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1122,1123,1124,
&end
#
# 15 TRP HE1 78 GLU- HB3 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 204,1206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 15 TRP HE1 79 VAL HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 204,1218, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 15 TRP HE1 79 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 204,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 TRP HE1 79 VAL QG1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1222,1223,1224,
&end
#
# 15 TRP HE1 79 VAL QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1226,1227,1228,
&end
#
# 15 TRP HE3 16 CYS HA 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 213, 220, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 15 TRP HE3 16 CYS HB3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 213, 223, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 15 TRP HE3 16 CYS HN 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 15 TRP HE3 44 VAL QG1 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 693, 694, 695,
&end
#
# 15 TRP HE3 44 VAL QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 697, 698, 699,
&end
#
# 15 TRP HE3 73 LEU QD1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1118,1119,1120,
&end
#
# 15 TRP HE3 73 LEU QD2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1122,1123,1124,
&end
#
# 15 TRP HH2 19 ARG+ QD 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 268, 269,
&end
#
# 15 TRP HH2 44 VAL QG1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 693, 694, 695,
&end
#
# 15 TRP HH2 47 PHE HZ 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 209, 737, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 15 TRP HH2 47 PHE QE 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 735, 739,
&end
#
# 15 TRP HH2 73 LEU QD1 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2=1118,1119,1120,
&end
#
# 15 TRP HH2 73 LEU QD2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 209, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1122,1123,1124,
&end
#
# 15 TRP HH2 78 GLU- HB2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 209,1205, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 15 TRP HH2 78 GLU- HB3 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 209,1206, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 15 TRP HN 15 TRP HB2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 15 TRP HN 15 TRP HB3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 TRP HN 15 TRP HD1 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 194, 202, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 15 TRP HN 16 CYS HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 15 TRP HZ2 19 ARG+ HE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 207, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 TRP HZ2 19 ARG+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 207, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 TRP HZ2 19 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 207, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 TRP HZ2 19 ARG+ QD 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 268, 269,
&end
#
# 15 TRP HZ2 73 LEU QD1 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1118,1119,1120,
&end
#
# 15 TRP HZ2 73 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1122,1123,1124,
&end
#
# 15 TRP HZ2 78 GLU- HB2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 207,1205, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 15 TRP HZ2 78 GLU- HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 207,1206, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 15 TRP HZ2 79 VAL QG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1226,1227,1228,
&end
#
# 15 TRP HZ3 16 CYS HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 211, 220, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 15 TRP HZ3 16 CYS HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 211, 218, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 15 TRP HZ3 19 ARG+ HD2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 211, 268, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 15 TRP HZ3 19 ARG+ HD3 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 211, 269, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 15 TRP HZ3 21 MET QE 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 315, 316, 317,
&end
#
# 15 TRP HZ3 44 VAL HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 211, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 TRP HZ3 44 VAL QG1 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 693, 694, 695,
&end
#
# 15 TRP HZ3 44 VAL QG2 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 697, 698, 699,
&end
#
# 15 TRP HZ3 47 PHE QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 735, 739,
&end
#
# 15 TRP HZ3 73 LEU QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1118,1119,1120,
&end
#
# 15 TRP HZ3 73 LEU QD2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1122,1123,1124,
&end
#
# 16 CYS HA 18 LYS+ HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 220, 236, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 16 CYS HA 19 ARG+ HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 220, 258, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 16 CYS HA 19 ARG+ QB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 262, 263,
&end
#
# 16 CYS HA 19 ARG+ QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 268, 269,
&end
#
# 16 CYS HA 21 MET HB2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 220, 308, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 16 CYS HA 21 MET HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 220, 309, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 16 CYS HA 21 MET HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 220, 304, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 16 CYS HA 21 MET QE 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 315, 316, 317,
&end
#
# 16 CYS HB2 17 GLY HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 222, 229, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 16 CYS HB2 18 LYS+ HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 16 CYS HB2 21 MET HB2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 222, 308, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 16 CYS HB2 21 MET HB3 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 222, 309, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 16 CYS HB2 23 PRO HD2 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 222, 336, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 CYS HB2 23 PRO HD3 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 222, 337, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 16 CYS HB2 23 PRO QD 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 336, 337,
&end
#
# 16 CYS HB2 23 PRO QG 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 339, 340,
&end
#
# 16 CYS HB2 44 VAL QG1 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2= 693, 694, 695,
&end
#
# 16 CYS HB3 17 GLY HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 223, 229, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 16 CYS HB3 21 MET HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 223, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 16 CYS HB3 21 MET HB3 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 223, 309, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 16 CYS HB3 21 MET HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 223, 304, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 16 CYS HB3 23 PRO HD2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 223, 336, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 CYS HB3 23 PRO HD3 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 223, 337, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 16 CYS HB3 23 PRO QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 336, 337,
&end
#
# 16 CYS HB3 44 VAL QG1 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 693, 694, 695,
&end
#
# 16 CYS HN 16 CYS HB2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 16 CYS HN 16 CYS HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 218, 223, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 16 CYS HN 17 GLY HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 218, 229, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 16 CYS HN 18 LYS+ HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 218, 236, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 17 GLY HA2 19 ARG+ HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 231, 258, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLY HA2 20 LYS+ HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 231, 282, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 17 GLY HA2 21 MET HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 231, 304, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 17 GLY HA3 18 LYS+ HN 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 17 GLY HA3 19 ARG+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 232, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLY HN 18 LYS+ HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 229, 236, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 17 GLY HN 18 LYS+ QB 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 240, 241,
&end
#
# 17 GLY HN 18 LYS+ QG 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 243, 244,
&end
#
# 17 GLY HN 19 ARG+ HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 229, 258, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 17 GLY HN 21 MET HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 229, 304, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 18 LYS+ HA 18 LYS+ HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 18 LYS+ HA 18 LYS+ HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 238, 244, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 18 LYS+ HA 18 LYS+ QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 238, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 243, 244,
&end
#
# 18 LYS+ HA 20 LYS+ HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 238, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 18 LYS+ HB2 19 ARG+ HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 240, 258, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 18 LYS+ HB3 19 ARG+ HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 241, 258, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 18 LYS+ HN 18 LYS+ HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 LYS+ HN 18 LYS+ HB3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 236, 241, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 LYS+ HN 18 LYS+ HG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 236, 243, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 LYS+ HN 18 LYS+ HG3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 236, 244, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 LYS+ HN 18 LYS+ QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 240, 241,
&end
#
# 18 LYS+ HN 18 LYS+ QG 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 236, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 243, 244,
&end
#
# 18 LYS+ HN 19 ARG+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 LYS+ HN 19 ARG+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 236, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 LYS+ HN 19 ARG+ HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 236, 258, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 18 LYS+ HN 20 LYS+ HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 236, 282, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 18 LYS+ QB 19 ARG+ HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 258, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 240, 241,
&end
#
# 18 LYS+ QB 19 ARG+ QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 240, 241,
igr2= 265, 266,
&end
#
# 19 ARG+ HA 19 ARG+ HG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 260, 265, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 19 ARG+ HA 19 ARG+ HG3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 260, 266, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 19 ARG+ HA 19 ARG+ QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 268, 269,
&end
#
# 19 ARG+ HN 19 ARG+ HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 258, 262, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 ARG+ HN 19 ARG+ HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 258, 263, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 ARG+ HN 19 ARG+ HD2 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 19 ARG+ HN 19 ARG+ HD3 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 258, 269, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 19 ARG+ HN 19 ARG+ HG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 258, 265, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 ARG+ HN 19 ARG+ HG3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 258, 266, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 19 ARG+ HN 19 ARG+ QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 262, 263,
&end
#
# 19 ARG+ HN 19 ARG+ QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 268, 269,
&end
#
# 19 ARG+ HN 19 ARG+ QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 265, 266,
&end
#
# 19 ARG+ HN 20 LYS+ HA 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 258, 284, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 19 ARG+ HN 20 LYS+ HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 258, 282, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 19 ARG+ HN 21 MET HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 258, 312, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 19 ARG+ HN 21 MET HN 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 258, 304, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 19 ARG+ QB 19 ARG+ QD 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 262, 263,
igr2= 268, 269,
&end
#
# 19 ARG+ QB 21 MET HG3 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 312, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 262, 263,
&end
#
# 19 ARG+ QB 21 MET HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 304, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 262, 263,
&end
#
# 19 ARG+ QD 19 ARG+ QH1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 268, 269,
igr2= 274, 275,
&end
#
# 19 ARG+ QG 19 ARG+ QH1 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 265, 266,
igr2= 274, 275,
&end
#
# 20 LYS+ HA 20 LYS+ QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 289, 290,
&end
#
# 20 LYS+ HA 21 MET HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 284, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 LYS+ HN 20 LYS+ HA 1.80 2.88
&rst
ixpk= 0, nxpk= 0, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 20 LYS+ HN 20 LYS+ HG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 282, 289, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 20 LYS+ HN 20 LYS+ HG3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 20 LYS+ HN 20 LYS+ QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 289, 290,
&end
#
# 20 LYS+ HN 21 MET HB2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 282, 308, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 20 LYS+ HN 21 MET HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 282, 304, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 21 MET HB2 22 THR HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 308, 321, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 21 MET HB2 44 VAL QG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 693, 694, 695,
&end
#
# 21 MET HB3 22 THR HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 309, 321, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 21 MET HB3 44 VAL QG1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 693, 694, 695,
&end
#
# 21 MET HG2 22 THR HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 311, 321, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 21 MET HG2 44 VAL QG1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 693, 694, 695,
&end
#
# 21 MET HG3 21 MET QE 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 315, 316, 317,
&end
#
# 21 MET HG3 44 VAL QG1 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 693, 694, 695,
&end
#
# 21 MET HN 21 MET HB2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 21 MET HN 21 MET HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 304, 309, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 21 MET HN 21 MET HG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 304, 311, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 21 MET HN 21 MET HG3 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= 304, 312, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 21 MET HN 22 THR HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 304, 321, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 21 MET QE 44 VAL QG1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 315, 316, 317,
igr2= 693, 694, 695,
&end
#
# 21 MET QE 47 PHE QE 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 315, 316, 317,
igr2= 735, 739,
&end
#
# 21 MET QE 73 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 315, 316, 317,
igr2=1118,1119,1120,
&end
#
# 22 THR HN 22 THR HB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 22 THR HN 22 THR QG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 327, 328, 329,
&end
#
# 22 THR HN 23 PRO QD 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 336, 337,
&end
#
# 22 THR HN 44 VAL QG1 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 693, 694, 695,
&end
#
# 22 THR QG2 23 PRO HD2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 336, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 327, 328, 329,
&end
#
# 22 THR QG2 23 PRO HD3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, 337, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 327, 328, 329,
&end
#
# 22 THR QG2 23 PRO QD 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 327, 328, 329,
igr2= 336, 337,
&end
#
# 22 THR QG2 23 PRO QG 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 327, 328, 329,
igr2= 339, 340,
&end
#
# 23 PRO HA 24 ALA HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 23 PRO HA 24 ALA QB 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 353, 354, 355,
&end
#
# 23 PRO HA 42 VAL QG2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 657, 658, 659,
&end
#
# 23 PRO HA 44 VAL HA 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 345, 689, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 23 PRO HA 44 VAL QG1 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 693, 694, 695,
&end
#
# 23 PRO HA 44 VAL QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 697, 698, 699,
&end
#
# 23 PRO HB2 24 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 PRO HB2 25 TYR QD 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 367, 376,
&end
#
# 23 PRO HB2 25 TYR QE 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 369, 374,
&end
#
# 23 PRO HB2 42 VAL QG2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 657, 658, 659,
&end
#
# 23 PRO HB2 44 VAL QG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 697, 698, 699,
&end
#
# 23 PRO HB3 24 ALA HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 343, 349, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 23 PRO HB3 25 TYR QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 369, 374,
&end
#
# 23 PRO HB3 42 VAL QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 657, 658, 659,
&end
#
# 23 PRO HB3 44 VAL QG2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 697, 698, 699,
&end
#
# 23 PRO HG2 25 TYR QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 369, 374,
&end
#
# 23 PRO HG3 25 TYR QE 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 369, 374,
&end
#
# 23 PRO QG 24 ALA HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 339, 340,
&end
#
# 23 PRO QG 25 TYR QE 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= 339, 340,
igr2= 369, 374,
&end
#
# 23 PRO QG 42 VAL QG2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 339, 340,
igr2= 657, 658, 659,
&end
#
# 24 ALA HA 25 TYR HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 24 ALA HN 24 ALA QB 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 353, 354, 355,
&end
#
# 24 ALA HN 25 TYR HA 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 24 ALA HN 42 VAL HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 349, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 ALA HN 42 VAL QG2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 657, 658, 659,
&end
#
# 24 ALA HN 43 ARG+ HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 349, 663, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 24 ALA HN 44 VAL HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 349, 689, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 24 ALA HN 44 VAL QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 697, 698, 699,
&end
#
# 24 ALA QB 25 TYR HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 361, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 353, 354, 355,
&end
#
# 24 ALA QB 25 TYR HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 353, 354, 355,
&end
#
# 24 ALA QB 25 TYR QD 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 353, 354, 355,
igr2= 367, 376,
&end
#
# 24 ALA QB 43 ARG+ HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 353, 354, 355,
&end
#
# 24 ALA QB 43 ARG+ QB 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 353, 354, 355,
igr2= 667, 668,
&end
#
# 25 TYR HA 25 TYR QD 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 367, 376,
&end
#
# 25 TYR HA 26 GLU- HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 361, 380, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 25 TYR HB2 26 GLU- HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 25 TYR HB3 26 GLU- HA 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 364, 382, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 25 TYR HB3 26 GLU- HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 25 TYR HN 25 TYR HB2 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 25 TYR HN 25 TYR HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 25 TYR HN 25 TYR QD 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 367, 376,
&end
#
# 25 TYR HN 25 TYR QE 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 369, 374,
&end
#
# 25 TYR HN 26 GLU- HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 359, 380, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 25 TYR QD 26 GLU- HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 380, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 367, 376,
&end
#
# 25 TYR QD 42 VAL HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 367, 376,
&end
#
# 25 TYR QD 42 VAL HB 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 367, 376,
&end
#
# 25 TYR QD 42 VAL QG1 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= 367, 376,
igr2= 653, 654, 655,
&end
#
# 25 TYR QD 42 VAL QG2 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= 367, 376,
igr2= 657, 658, 659,
&end
#
# 25 TYR QD 62 GLN HA 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 367, 376,
&end
#
# 25 TYR QD 65 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 367, 376,
igr2= 986, 987, 988,
&end
#
# 25 TYR QE 42 VAL HB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 369, 374,
&end
#
# 25 TYR QE 42 VAL QG1 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 369, 374,
igr2= 653, 654, 655,
&end
#
# 25 TYR QE 42 VAL 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= 369, 374,
igr2= 657, 658, 659,
&end
#
# 25 TYR QE 62 GLN HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 369, 374,
&end
#
# 25 TYR QE 65 ALA QB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 369, 374,
igr2= 986, 987, 988,
&end
#
# 25 TYR QE 66 ALA HA 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 369, 374,
&end
#
# 25 TYR QE 66 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 369, 374,
&end
#
# 25 TYR QE 66 ALA QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 369, 374,
igr2= 996, 997, 998,
&end
#
# 26 GLU- HB2 27 ILE HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 384, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 26 GLU- HB3 27 ILE HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 385, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 26 GLU- HG2 27 ILE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 26 GLU- HG3 27 ILE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 26 GLU- HN 26 GLU- HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 GLU- HN 26 GLU- HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 26 GLU- HN 26 GLU- QG 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 387, 388,
&end
#
# 26 GLU- HN 27 ILE HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 26 GLU- HN 41 GLU- HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 380, 632, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 26 GLU- HN 42 VAL QG2 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 657, 658, 659,
&end
#
# 26 GLU- QB 41 GLU- HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 632, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 384, 385,
&end
#
# 26 GLU- QG 27 ILE HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 395, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 387, 388,
&end
#
# 26 GLU- QG 28 ARG+ HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 387, 388,
&end
#
# 27 ILE HA 27 ILE HG12 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 397, 405, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 27 ILE HA 27 ILE HG13 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 397, 406, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 27 ILE HA 27 ILE QD1 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 408, 409, 410,
&end
#
# 27 ILE HA 27 ILE QG2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 401, 402, 403,
&end
#
# 27 ILE HA 28 ARG+ HB2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 397, 418, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 27 ILE HA 28 ARG+ HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 ILE HA 28 ARG+ HN 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 397, 414, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 27 ILE HA 40 CYS HA 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 397, 623, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 27 ILE HA 40 CYS HB2 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 397, 625, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 27 ILE HA 40 CYS HB3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 397, 626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 27 ILE HA 41 GLU- HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 397, 632, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 27 ILE HB 27 ILE QD1 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 399, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 408, 409, 410,
&end
#
# 27 ILE HB 28 ARG+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 399, 414, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 27 ILE HG12 28 ARG+ HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 405, 414, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 27 ILE HG12 40 CYS HA 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 405, 623, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 27 ILE HG12 40 CYS HB2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 405, 625, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 ILE HG12 40 CYS HB3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 405, 626, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 27 ILE HG13 40 CYS HB2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 406, 625, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 27 ILE HN 27 ILE HB 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 27 ILE HN 27 ILE HG12 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 27 ILE HN 27 ILE HG13 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 395, 406, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 27 ILE HN 27 ILE QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 401, 402, 403,
&end
#
# 27 ILE QD1 28 ARG+ HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 408, 409, 410,
&end
#
# 27 ILE QD1 40 CYS HA 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 408, 409, 410,
&end
#
# 27 ILE QD1 40 CYS HB2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 408, 409, 410,
&end
#
# 27 ILE QD1 58 LYS+ HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 408, 409, 410,
&end
#
# 27 ILE QD1 58 LYS+ QB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 408, 409, 410,
igr2= 878, 879,
&end
#
# 27 ILE QD1 58 LYS+ QD 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 408, 409, 410,
igr2= 884, 885,
&end
#
# 27 ILE QD1 58 LYS+ QE 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= 408, 409, 410,
igr2= 887, 888,
&end
#
# 27 ILE QD1 61 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 408, 409, 410,
igr2= 934, 935, 936,
&end
#
# 27 ILE QD1 62 GLN HG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 408, 409, 410,
&end
#
# 27 ILE QD1 62 GLN HG3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1, 948, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 408, 409, 410,
&end
#
# 27 ILE QD1 62 GLN QE2 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= 408, 409, 410,
igr2= 952, 953,
&end
#
# 27 ILE QD1 62 GLN QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 408, 409, 410,
igr2= 947, 948,
&end
#
# 27 ILE QG2 27 ILE HG13 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 406, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 28 ARG+ HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 414, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 38 PHE HB3 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 38 PHE QD 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 401, 402, 403,
igr2= 592, 600,
&end
#
# 27 ILE QG2 38 PHE QE 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 401, 402, 403,
igr2= 594, 598,
&end
#
# 27 ILE QG2 39 MET HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 40 CYS HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 623, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 40 CYS HB2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 625, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 58 LYS+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 58 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 401, 402, 403,
&end
#
# 27 ILE QG2 58 LYS+ QD 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 401, 402, 403,
igr2= 884, 885,
&end
#
# 27 ILE QG2 58 LYS+ QE 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 401, 402, 403,
igr2= 887, 888,
&end
#
# 27 ILE QG2 58 LYS+ QG 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr1= 401, 402, 403,
igr2= 881, 882,
&end
#
# 27 ILE QG2 61 ALA QB 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr1= 401, 402, 403,
igr2= 934, 935, 936,
&end
#
# 28 ARG+ HB2 29 ALA HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 418, 438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 28 ARG+ HB2 30 VAL QG1 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 454, 455, 456,
&end
#
# 28 ARG+ HB2 39 MET HB2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 418, 608, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 28 ARG+ HB2 39 MET HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 418, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HB2 39 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 418, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HB3 29 ALA HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 28 ARG+ HB3 30 VAL QG1 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 454, 455, 456,
&end
#
# 28 ARG+ HB3 39 MET HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 419, 606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HB3 39 MET HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 419, 608, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 28 ARG+ HB3 39 MET HB3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 419, 609, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 28 ARG+ HB3 39 MET HG3 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 419, 612, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 28 ARG+ HG2 29 ALA HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 28 ARG+ HG3 29 ALA HN 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 422, 438, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 28 ARG+ HN 28 ARG+ HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 414, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 28 ARG+ HN 28 ARG+ HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 28 ARG+ HN 28 ARG+ HG2 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 414, 421, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 28 ARG+ HN 28 ARG+ HG3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= 414, 422, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 28 ARG+ HN 28 ARG+ QG 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 414, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 421, 422,
&end
#
# 28 ARG+ HN 29 ALA HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 414, 438, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 28 ARG+ HN 38 PHE HB3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 414, 589, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 28 ARG+ HN 39 MET HB2 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 414, 608, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 28 ARG+ HN 39 MET HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HN 39 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 414, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 ARG+ HN 40 CYS HA 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 414, 623, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 28 ARG+ QG 29 ALA HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 438, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 421, 422,
&end
#
# 29 ALA HN 29 ALA QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 442, 443, 444,
&end
#
# 29 ALA QB 30 VAL HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 448, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 442, 443, 444,
&end
#
# 29 ALA QB 36 GLN QE2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 442, 443, 444,
igr2= 557, 558,
&end
#
# 29 ALA QB 36 GLN QG 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 442, 443, 444,
igr2= 552, 553,
&end
#
# 29 ALA QB 37 LYS+ HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 442, 443, 444,
&end
#
# 29 ALA QB 38 PHE HA 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 442, 443, 444,
&end
#
# 29 ALA QB 38 PHE QD 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= 442, 443, 444,
igr2= 592, 600,
&end
#
# 29 ALA QB 38 PHE QE 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 442, 443, 444,
igr2= 594, 598,
&end
#
# 30 VAL HA 30 VAL QG1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 454, 455, 456,
&end
#
# 30 VAL HA 30 VAL QG2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 458, 459, 460,
&end
#
# 30 VAL HA 31 GLY HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 30 VAL HB 31 GLY HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 VAL HN 30 VAL HB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 30 VAL HN 30 VAL QG1 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 454, 455, 456,
&end
#
# 30 VAL HN 30 VAL QG2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 458, 459, 460,
&end
#
# 30 VAL HN 31 GLY HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 448, 464, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 30 VAL HN 36 GLN HA 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 448, 547, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 30 VAL HN 37 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 448, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 VAL HN 37 LYS+ HB3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 448, 567, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 30 VAL HN 37 LYS+ HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 448, 562, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 30 VAL HN 38 PHE HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 448, 586, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 30 VAL HN 38 PHE QD 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr2= 592, 600,
&end
#
# 30 VAL HN 39 MET HG3 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 448, 612, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 30 VAL HN 39 MET HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 448, 604, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 30 VAL QG1 31 GLY HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 454, 455, 456,
&end
#
# 30 VAL QG1 39 MET HG3 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 454, 455, 456,
&end
#
# 30 VAL QG2 31 GLY HA2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 31 GLY HA3 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 31 GLY HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 464, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 37 LYS+ HB2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 37 LYS+ HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 37 LYS+ HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 38 PHE HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 38 PHE HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 39 MET HG2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 39 MET HG3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 458, 459, 460,
&end
#
# 30 VAL QG2 39 MET HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 458, 459, 460,
&end
#
# 31 GLY HA2 32 ASN HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 31 GLY HA2 37 LYS+ HB2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 466, 566, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 31 GLY HA3 32 ASN HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 31 GLY HA3 37 LYS+ HB2 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat= 467, 566, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 31 GLY HN 32 ASN HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 31 GLY HN 32 ASN HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 464, 471, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 31 GLY HN 37 LYS+ HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 464, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 31 GLY QA 37 LYS+ HB2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 466, 467,
&end
#
# 31 GLY QA 37 LYS+ QD 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 466, 467,
igr2= 572, 573,
&end
#
# 32 ASN HN 32 ASN QB 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 475, 476,
&end
#
# 32 ASN HN 33 LYS HN 3.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 471, 485, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 32 ASN QB 33 LYS+ HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 475, 476,
&end
#
# 33 LYS+ HA 33 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS+ HA 33 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS+ HA 33 LYS+ HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 LYS+ HA 33 LYS+ HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 487, 493, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 33 LYS+ HB2 34 ASN HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 489, 507, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 33 LYS+ HB3 34 ASN HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 490, 507, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 33 LYS+ HG2 34 ASN HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 492, 507, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 33 LYS+ HG3 34 ASN HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 493, 507, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 33 LYS+ HN 33 LYS+ QB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 489, 490,
&end
#
# 33 LYS+ HN 33 LYS+ QG 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 492, 493,
&end
#
# 33 LYS+ QB 34 ASN HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 489, 490,
&end
#
# 33 LYS+ QG 34 ASN HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 507, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 492, 493,
&end
#
# 34 ASN HN 34 ASN QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 507, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 511, 512,
&end
#
# 34 ASN HN 35 ARG+ HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 34 ASN QB 35 ARG+ HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 521, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 511, 512,
&end
#
# 35 ARG+ HA 36 GLN HN 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat= 523, 545, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 35 ARG+ HN 35 ARG+ HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 35 ARG+ HN 35 ARG+ HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 35 ARG+ HN 35 ARG+ HG2 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 35 ARG+ HN 35 ARG+ HG3 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat= 521, 529, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 35 ARG+ HN 35 ARG+ QB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 525, 526,
&end
#
# 35 ARG+ HN 35 ARG+ QG 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 528, 529,
&end
#
# 35 ARG+ HN 36 GLN HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 521, 545, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 35 ARG+ QG 36 GLN HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 528, 529,
&end
#
# 36 GLN HA 36 GLN QE2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 557, 558,
&end
#
# 36 GLN HA 37 LYS+ HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 36 GLN HB2 37 LYS+ HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 36 GLN HB3 37 LYS+ HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 550, 562, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 36 GLN HG2 37 LYS+ HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 36 GLN HG3 37 LYS+ HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 553, 562, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 36 GLN HN 36 GLN HB2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 36 GLN HN 36 GLN HB3 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 36 GLN HN 36 GLN HG2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 545, 552, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 GLN HN 36 GLN HG3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 36 GLN HN 36 GLN QB 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 549, 550,
&end
#
# 36 GLN HN 36 GLN QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 552, 553,
&end
#
# 36 GLN QB 36 GLN QE2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 549, 550,
igr2= 557, 558,
&end
#
# 36 GLN QB 37 LYS+ HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr1= 549, 550,
&end
#
# 36 GLN QG 37 LYS+ HN 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, 562, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 552, 553,
&end
#
# 37 LYS+ HA 38 PHE HB2 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 564, 588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 37 LYS+ HA 38 PHE HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 564, 584, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 37 LYS+ HA 38 PHE QD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2= 592, 600,
&end
#
# 37 LYS+ HA 56 THR HA 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 564, 848, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 37 LYS+ HA 56 THR QG2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 852, 853, 854,
&end
#
# 37 LYS+ HB2 38 PHE HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 37 LYS+ HB3 38 PHE HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 567, 584, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 37 LYS+ HB3 55 SER HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 567, 835, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 37 LYS+ HB3 56 THR HA 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 567, 848, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 37 LYS+ HN 37 LYS+ HB2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 562, 566, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 37 LYS+ HN 37 LYS+ HB3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 37 LYS+ HN 37 LYS+ QD 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 572, 573,
&end
#
# 37 LYS+ HN 37 LYS+ QG 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 562, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 569, 570,
&end
#
# 37 LYS+ HN 38 PHE HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 562, 584, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 37 LYS+ QD 38 PHE HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 572, 573,
&end
#
# 37 LYS+ QG 38 PHE HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 584, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 569, 570,
&end
#
# 38 PHE HA 38 PHE QD 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 592, 600,
&end
#
# 38 PHE HA 39 MET HN 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= 586, 604, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 38 PHE HB2 55 SER HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 588, 835, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 38 PHE HB2 58 LYS+ HA 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 588, 876, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 PHE HB2 61 ALA QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 934, 935, 936,
&end
#
# 38 PHE HB3 39 MET HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 589, 604, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 38 PHE HB3 58 LYS+ HA 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 589, 876, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 38 PHE HB3 58 LYS+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 589, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE HB3 58 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 589, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE HB3 61 ALA QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 934, 935, 936,
&end
#
# 38 PHE HN 38 PHE HB2 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 38 PHE HN 38 PHE QD 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 592, 600,
&end
#
# 38 PHE HN 38 PHE QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 594, 598,
&end
#
# 38 PHE HN 39 MET HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 584, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE HN 39 MET HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 584, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 PHE HN 39 MET HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 584, 604, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 38 PHE HN 54 ASN HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 584, 823, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 38 PHE HN 55 SER HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 584, 835, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 38 PHE HN 56 THR HA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 584, 848, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 38 PHE HN 56 THR QG2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2= 852, 853, 854,
&end
#
# 38 PHE HN 61 ALA QB 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 584, -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr2= 934, 935, 936,
&end
#
# 38 PHE QD 39 MET HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 604, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 592, 600,
&end
#
# 38 PHE QD 56 THR HA 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 592, 600,
&end
#
# 38 PHE QD 57 ASN HA 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 592, 600,
&end
#
# 38 PHE QD 57 ASN HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ HA 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 876, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ HE2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ HE3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 592, 600,
&end
#
# 38 PHE QD 58 LYS+ QD 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= 592, 600,
igr2= 884, 885,
&end
#
# 38 PHE QD 61 ALA QB 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= 592, 600,
igr2= 934, 935, 936,
&end
#
# 38 PHE QE 57 ASN HA 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, 862, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 884, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HE2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HE3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 594, 598,
&end
#
# 38 PHE QE 58 LYS+ QE 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= 594, 598,
igr2= 887, 888,
&end
#
# 39 MET HA 40 CYS HB3 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 606, 626, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 39 MET HA 40 CYS HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 39 MET HA 53 GLY HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 606, 814, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 MET HA 54 ASN HA 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 606, 823, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 39 MET HA 54 ASN HB2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 606, 825, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 39 MET HA 54 ASN HB3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 606, 826, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 39 MET HA 54 ASN QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 825, 826,
&end
#
# 39 MET HA 55 SER HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 606, 835, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 39 MET HA 61 ALA QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 606, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 934, 935, 936,
&end
#
# 39 MET HB2 40 CYS HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 39 MET HB3 40 CYS HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 39 MET HG2 55 SER HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 611, 835, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 39 MET HG3 39 MET QE 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 615, 616, 617,
&end
#
# 39 MET HN 39 MET HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 39 MET HN 39 MET HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 39 MET HN 39 MET HG3 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 604, 612, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 39 MET HN 61 ALA QB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 604, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 934, 935, 936,
&end
#
# 40 CYS HA 41 GLU- HN 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat= 623, 632, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 40 CYS HA 61 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 934, 935, 936,
&end
#
# 40 CYS HB2 41 GLU- HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 625, 632, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 40 CYS HB2 61 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 934, 935, 936,
&end
#
# 40 CYS HB2 62 GLN HA 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 625, 942, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 40 CYS HB2 65 ALA QB 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 625, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 986, 987, 988,
&end
#
# 40 CYS HB3 41 GLU- HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 626, 632, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 40 CYS HB3 53 GLY HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 626, 814, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 40 CYS HB3 61 ALA QB 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 934, 935, 936,
&end
#
# 40 CYS HB3 62 GLN HA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 626, 942, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 40 CYS HB3 65 ALA QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 626, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 986, 987, 988,
&end
#
# 40 CYS HN 40 CYS HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 40 CYS HN 40 CYS HB3 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 40 CYS HN 53 GLY HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 621, 814, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 40 CYS HN 54 ASN HA 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 621, 823, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 40 CYS HN 54 ASN QB 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 825, 826,
&end
#
# 40 CYS HN 61 ALA QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 934, 935, 936,
&end
#
# 41 GLU- HA 41 GLU- HG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 41 GLU- HA 41 GLU- HG3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 634, 640, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 41 GLU- HA 41 GLU- QG 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 639, 640,
&end
#
# 41 GLU- HA 42 VAL HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= 634, 647, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 41 GLU- HA 42 VAL QG1 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 653, 654, 655,
&end
#
# 41 GLU- HA 52 MET HA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 634, 799, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 41 GLU- HA 53 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 634, 814, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 41 GLU- HA 65 ALA QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 634, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 986, 987, 988,
&end
#
# 41 GLU- HB2 42 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 636, 647, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 41 GLU- HB3 42 VAL HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 637, 647, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 41 GLU- HN 41 GLU- HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 41 GLU- HN 41 GLU- HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 632, 637, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 41 GLU- HN 41 GLU- HG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 632, 639, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 41 GLU- HN 41 GLU- HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 632, 640, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 41 GLU- HN 41 GLU- QG 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 639, 640,
&end
#
# 41 GLU- HN 65 ALA QB 1.80 5.32
&rst
ixpk= 0, nxpk= 0, iat= 632, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 986, 987, 988,
&end
#
# 41 GLU- QB 42 VAL HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 636, 637,
&end
#
# 41 GLU- QB 50 ALA QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 636, 637,
igr2= 784, 785, 786,
&end
#
# 41 GLU- QG 42 VAL HN 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 639, 640,
&end
#
# 42 VAL HA 42 VAL QG1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 653, 654, 655,
&end
#
# 42 VAL HA 42 VAL QG2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 657, 658, 659,
&end
#
# 42 VAL HA 43 ARG+ HN 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 42 VAL HB 43 ARG+ HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 651, 663, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 42 VAL HN 42 VAL HB 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 42 VAL HN 42 VAL QG1 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 653, 654, 655,
&end
#
# 42 VAL HN 42 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 657, 658, 659,
&end
#
# 42 VAL HN 43 ARG+ HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 647, 663, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 42 VAL HN 50 ALA QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 784, 785, 786,
&end
#
# 42 VAL HN 51 GLY HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 647, 790, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 42 VAL HN 51 GLY QA 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 792, 793,
&end
#
# 42 VAL HN 52 MET HA 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 647, 799, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 42 VAL HN 65 ALA QB 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 647, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 986, 987, 988,
&end
#
# 42 VAL QG1 43 ARG+ HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 44 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= 653, 654, 655,
igr2= 697, 698, 699,
&end
#
# 42 VAL QG1 50 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 51 GLY HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 51 GLY QA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 653, 654, 655,
igr2= 792, 793,
&end
#
# 42 VAL QG1 52 MET HA 1.80 5.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 799, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 52 MET HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 65 ALA QB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 653, 654, 655,
igr2= 986, 987, 988,
&end
#
# 42 VAL QG1 66 ALA HA 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 66 ALA HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 66 ALA QB 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1= 653, 654, 655,
igr2= 996, 997, 998,
&end
#
# 42 VAL QG1 69 PHE HA 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 69 PHE HB2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1042, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 69 PHE HB3 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1043, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 69 PHE HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG1 69 PHE QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 653, 654, 655,
igr2=1042,1043,
&end
#
# 42 VAL QG1 69 PHE QD 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 653, 654, 655,
igr2=1046,1054,
&end
#
# 42 VAL QG1 70 VAL HN 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 653, 654, 655,
&end
#
# 42 VAL QG2 43 ARG+ HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 657, 658, 659,
&end
#
# 42 VAL QG2 44 VAL QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 657, 658, 659,
igr2= 697, 698, 699,
&end
#
# 42 VAL QG2 65 ALA QB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 657, 658, 659,
igr2= 986, 987, 988,
&end
#
# 42 VAL QG2 66 ALA HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 657, 658, 659,
&end
#
# 42 VAL QG2 66 ALA QB 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
igr1= 657, 658, 659,
igr2= 996, 997, 998,
&end
#
# 43 ARG+ HA 43 ARG+ HG2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 665, 670, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 43 ARG+ HA 43 ARG+ HG3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 665, 671, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 43 ARG+ HA 43 ARG+ QG 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 670, 671,
&end
#
# 43 ARG+ HA 44 VAL HN 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= 665, 687, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 43 ARG+ HB2 44 VAL HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 667, 687, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 43 ARG+ HB3 44 VAL HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 668, 687, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 43 ARG+ HE 50 ALA QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 784, 785, 786,
&end
#
# 43 ARG+ HG2 50 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 670, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ HG2 50 ALA QB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 784, 785, 786,
&end
#
# 43 ARG+ HG3 50 ALA HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 671, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ARG+ HG3 50 ALA QB 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 784, 785, 786,
&end
#
# 43 ARG+ HN 43 ARG+ QB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 667, 668,
&end
#
# 43 ARG+ HN 43 ARG+ QG 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 670, 671,
&end
#
# 43 ARG+ HN 44 VAL HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 663, 687, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 43 ARG+ QB 43 ARG+ QD 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= 667, 668,
igr2= 673, 674,
&end
#
# 43 ARG+ QG 44 VAL HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 670, 671,
&end
#
# 43 ARG+ QG 50 ALA QB 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= 670, 671,
igr2= 784, 785, 786,
&end
#
# 43 ARG+ QG 51 GLY HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 670, 671,
&end
#
# 44 VAL HA 44 VAL QG1 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 693, 694, 695,
&end
#
# 44 VAL HA 44 VAL QG2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 697, 698, 699,
&end
#
# 44 VAL HA 45 GLU- HN 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 689, 703, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 44 VAL HB 47 PHE HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 691, 729, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 44 VAL HB 47 PHE HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 691, 730, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 44 VAL HB 47 PHE HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 691, 725, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 44 VAL HB 47 PHE QD 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 733, 741,
&end
#
# 44 VAL HB 69 PHE HZ 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 691,1050, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 44 VAL HB 69 PHE QE 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 691, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1048,1052,
&end
#
# 44 VAL HN 44 VAL HB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 687, 691, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 44 VAL HN 44 VAL QG1 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 693, 694, 695,
&end
#
# 44 VAL HN 44 VAL QG2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 697, 698, 699,
&end
#
# 44 VAL HN 45 GLU- HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 687, 703, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 44 VAL HN 47 PHE HB2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 687, 729, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 44 VAL HN 47 PHE HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= 687, 725, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 44 VAL HN 69 PHE HZ 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687,1050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 VAL HN 69 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1046,1054,
&end
#
# 44 VAL HN 69 PHE QE 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1048,1052,
&end
#
# 44 VAL QG1 45 GLU- HB2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG1 45 GLU- HB3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG1 45 GLU- HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG1 47 PHE HB2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG1 47 PHE HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 725, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG1 47 PHE HZ 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 737, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG1 47 PHE QD 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 693, 694, 695,
igr2= 733, 741,
&end
#
# 44 VAL QG1 47 PHE QE 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 693, 694, 695,
igr2= 735, 739,
&end
#
# 44 VAL QG1 69 PHE HZ 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 693, 694, 695,
&end
#
# 44 VAL QG2 45 GLU- HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 697, 698, 699,
&end
#
# 44 VAL QG2 47 PHE QD 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= 697, 698, 699,
igr2= 733, 741,
&end
#
# 44 VAL QG2 69 PHE HZ 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 697, 698, 699,
&end
#
# 44 VAL QG2 69 PHE QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 697, 698, 699,
igr2=1046,1054,
&end
#
# 44 VAL QG2 69 PHE QE 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= 697, 698, 699,
igr2=1048,1052,
&end
#
# 45 GLU- HA 45 GLU- QG 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 705, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 710, 711,
&end
#
# 45 GLU HA 46 GLY HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 705, 718, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 45 GLU- HA 46 GLY HN 1.80 2.82
&rst
ixpk= 0, nxpk= 0, iat= 705, 718, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 45 GLU- HA 47 PHE HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 705, 725, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 45 GLU- HB2 46 GLY HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 707, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 45 GLU- HB3 46 GLY HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 708, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 45 GLU- HG2 46 GLY HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 710, 718, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 45 GLU- HG3 46 GLY HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 711, 718, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 45 GLU- HN 45 GLU- HB2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 703, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 45 GLU- HN 45 GLU- HB3 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 703, 708, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 45 GLU- HN 45 GLU- HG2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 703, 710, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 45 GLU- HN 45 GLU- HG3 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 703, 711, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 45 GLU- HN 45 GLU- QB 1.80 2.79
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
igr2= 707, 708,
&end
#
# 45 GLU- HN 45 GLU- QG 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 710, 711,
&end
#
# 45 GLU HN 46 GLY HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 703, 718, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 45 GLU- QB 46 GLY HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 707, 708,
&end
#
# 45 GLU- QG 46 GLY HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 710, 711,
&end
#
# 45 GLU- QG 46 GLY QA 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 710, 711,
igr2= 720, 721,
&end
#
# 46 GLY HN 47 PHE HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 718, 725, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 47 PHE HA 47 PHE QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 727, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 733, 741,
&end
#
# 47 PHE HB2 49 TYR HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 729, 759, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 47 PHE HB2 69 PHE HZ 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 729,1050, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 47 PHE HB2 72 TYR QE 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1098,1103,
&end
#
# 47 PHE HB3 49 TYR HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 730, 759, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 47 PHE HB3 69 PHE HZ 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 730,1050, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 47 PHE HB3 72 TYR QE 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2=1098,1103,
&end
#
# 47 PHE HN 47 PHE HB2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 47 PHE HN 47 PHE HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 47 PHE HN 47 PHE QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 725, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 733, 741,
&end
#
# 47 PHE HN 48 ASN HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 725, 745, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 47 PHE HN 69 PHE HZ 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 725,1050, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 47 PHE HZ 73 LEU QD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1122,1123,1124,
&end
#
# 47 PHE HZ 76 ILE QD1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1181,1182,1183,
&end
#
# 47 PHE HZ 78 GLU- QG 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 737, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr2=1208,1209,
&end
#
# 47 PHE QD 69 PHE HZ 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1050, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 733, 741,
&end
#
# 47 PHE QD 72 TYR QE 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= 733, 741,
igr2=1098,1103,
&end
#
# 47 PHE QD 73 LEU QD2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 733, 741,
igr2=1122,1123,1124,
&end
#
# 47 PHE QD 76 ILE QD1 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= 733, 741,
igr2=1181,1182,1183,
&end
#
# 47 PHE QE 73 LEU QD2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 735, 739,
igr2=1122,1123,1124,
&end
#
# 47 PHE QE 76 ILE QD1 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 735, 739,
igr2=1181,1182,1183,
&end
#
# 47 PHE QE 78 GLU- QG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 735, 739,
igr2=1208,1209,
&end
#
# 48 ASN HA 49 TYR HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 48 ASN HB2 49 TYR HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 749, 759, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ASN HB3 49 TYR HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 750, 759, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 48 ASN HN 49 TYR QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 763, 764,
&end
#
# 48 ASN QB 49 TYR HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 759, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 749, 750,
&end
#
# 49 TYR HA 49 TYR QD 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 767, 776,
&end
#
# 49 TYR HA 50 ALA HN 1.80 2.85
&rst
ixpk= 0, nxpk= 0, iat= 761, 780, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 49 TYR HA 50 ALA QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 761, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 784, 785, 786,
&end
#
# 49 TYR HB2 50 ALA HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 763, 780, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 49 TYR HB2 72 TYR QD 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 763, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1096,1105,
&end
#
# 49 TYR HB3 50 ALA HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 764, 780, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 49 TYR HB3 72 TYR QD 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 764, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2=1096,1105,
&end
#
# 49 TYR HN 49 TYR HB2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 49 TYR HN 49 TYR HB3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 49 TYR HN 72 TYR QD 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1096,1105,
&end
#
# 49 TYR HN 72 TYR QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1098,1103,
&end
#
# 49 TYR QB 50 ALA HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1= 763, 764,
&end
#
# 49 TYR QB 69 PHE QD 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 763, 764,
igr2=1046,1054,
&end
#
# 49 TYR QB 72 TYR QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 763, 764,
igr2=1096,1105,
&end
#
# 49 TYR QB 72 TYR QE 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 763, 764,
igr2=1098,1103,
&end
#
# 49 TYR QD 50 ALA HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 780, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 767, 776,
&end
#
# 49 TYR QD 69 PHE QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 767, 776,
igr2=1046,1054,
&end
#
# 49 TYR QD 69 PHE QE 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 767, 776,
igr2=1048,1052,
&end
#
# 49 TYR QD 72 TYR HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 767, 776,
&end
#
# 49 TYR QD 72 TYR QB 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 767, 776,
igr2=1092,1093,
&end
#
# 49 TYR QD 72 TYR QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 767, 776,
igr2=1096,1105,
&end
#
# 49 TYR QD 73 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 767, 776,
&end
#
# 49 TYR QE 51 GLY QA 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 769, 774,
igr2= 792, 793,
&end
#
# 49 TYR QE 52 MET HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 797, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 769, 774,
&end
#
# 49 TYR QE 68 ASP- QB 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 769, 774,
igr2=1030,1031,
&end
#
# 49 TYR QE 69 PHE HA 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1= 769, 774,
&end
#
# 49 TYR QE 69 PHE HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 769, 774,
&end
#
# 49 TYR QE 72 TYR HB2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1092, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 769, 774,
&end
#
# 49 TYR QE 72 TYR HB3 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 769, 774,
&end
#
# 49 TYR QE 72 TYR QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 769, 774,
igr2=1092,1093,
&end
#
# 49 TYR QE 72 TYR 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= 769, 774,
igr2=1096,1105,
&end
#
# 50 ALA HA 51 GLY HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 782, 790, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 50 ALA HN 50 ALA QB 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 780, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 784, 785, 786,
&end
#
# 50 ALA QB 51 GLY HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 784, 785, 786,
&end
#
# 51 GLY HA2 69 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 792,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLY HA2 69 PHE HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 792,1038, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 GLY HA2 69 PHE QD 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 792, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1046,1054,
&end
#
# 51 GLY HA3 69 PHE HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 793,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLY HA3 69 PHE HN 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 793,1038, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 51 GLY HA3 69 PHE QD 1.80 5.38
&rst
ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1046,1054,
&end
#
# 51 GLY HN 52 MET HN 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat= 790, 797, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 51 GLY HN 69 PHE QD 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2=1046,1054,
&end
#
# 51 GLY HN 69 PHE QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1048,1052,
&end
#
# 51 GLY QA 68 ASP- QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 792, 793,
igr2=1030,1031,
&end
#
# 51 GLY QA 69 PHE HA 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 792, 793,
&end
#
# 51 GLY QA 69 PHE HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 792, 793,
&end
#
# 51 GLY QA 69 PHE QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 792, 793,
igr2=1042,1043,
&end
#
# 51 GLY QA 69 PHE QD 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 792, 793,
igr2=1046,1054,
&end
#
# 52 MET HA 52 MET HG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 52 MET HA 52 MET HG3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 799, 805, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 52 MET HA 53 GLY HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 799, 814, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 52 MET HA 65 ALA HA 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 799, 984, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 52 MET HA 65 ALA QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 799, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 986, 987, 988,
&end
#
# 52 MET HB2 53 GLY HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 801, 814, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 52 MET HB3 53 GLY HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 802, 814, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 52 MET HG2 53 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 804, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 MET HG3 53 GLY HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 805, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 52 MET HN 52 MET HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 797, 801, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 52 MET HN 52 MET HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 797, 802, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 52 MET HN 52 MET HG2 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 797, 804, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 52 MET HN 52 MET HG3 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 797, 805, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 52 MET HN 52 MET QB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 801, 802,
&end
#
# 52 MET HN 52 MET QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 797, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 804, 805,
&end
#
# 52 MET HN 53 GLY HN 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= 797, 814, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 52 MET HN 65 ALA HA 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 797, 984, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 52 MET HN 68 ASP- HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 797,1030, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 MET HN 68 ASP- HB3 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 797,1031, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 52 MET HN 69 PHE HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 797,1038, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 52 MET QB 53 GLY HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 814, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 801, 802,
&end
#
# 53 GLY HA2 54 ASN HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 53 GLY HA2 64 ASN HB2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 816, 972, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 53 GLY HA2 64 ASN HB3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 816, 973, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 53 GLY HA2 64 ASN QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 972, 973,
&end
#
# 53 GLY HA2 65 ALA HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 816, 982, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 53 GLY HA2 65 ALA QB 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 816, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 986, 987, 988,
&end
#
# 53 GLY HA3 54 ASN HN 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 53 GLY HA3 64 ASN HB2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 817, 972, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 53 GLY HA3 64 ASN HB3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 817, 973, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 53 GLY HA3 64 ASN HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 817, 968, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 53 GLY HA3 65 ALA HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 817, 982, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 53 GLY HA3 65 ALA QB 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 817, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 986, 987, 988,
&end
#
# 53 GLY HN 54 ASN HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 814, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 GLY HN 65 ALA HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 814, 984, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 53 GLY HN 65 ALA HN 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat= 814, 982, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 53 GLY HN 65 ALA QB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 814, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 986, 987, 988,
&end
#
# 54 ASN HA 55 SER HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 54 ASN HA 61 ALA HA 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 823, 932, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 54 ASN HA 61 ALA QB 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 823, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 934, 935, 936,
&end
#
# 54 ASN HB2 55 SER HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 825, 835, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 ASN HB3 55 SER HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= 826, 835, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 54 ASN HN 54 ASN HA 2.80 100.0
&rst
ixpk= 0, nxpk= 0, iat= 821, 823, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50, &end
#
# 54 ASN HN 54 ASN QD2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 830, 831,
&end
#
# 54 ASN HN 55 SER HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 821, 835, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 54 ASN HN 61 ALA HA 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= 821, 932, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 54 ASN HN 61 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 934, 935, 936,
&end
#
# 54 ASN HN 64 ASN HB2 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 821, 972, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 54 ASN HN 64 ASN HB3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 821, 973, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 54 ASN HN 64 ASN QB 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 972, 973,
&end
#
# 54 ASN HN 64 ASN QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 821, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 977, 978,
&end
#
# 54 ASN QB 54 ASN QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 825, 826,
igr2= 830, 831,
&end
#
# 54 ASN QB 55 SER HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 825, 826,
&end
#
# 55 SER HB2 60 ASP- HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 839, 922, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 SER HB2 60 ASP- HB3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 839, 923, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 55 SER HB2 61 ALA HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 839, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 SER HB2 61 ALA QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 839, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 934, 935, 936,
&end
#
# 55 SER HB3 60 ASP- HB2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 840, 922, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 55 SER HB3 60 ASP- HB3 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 840, 923, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 55 SER HB3 61 ALA HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 840, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 55 SER HB3 61 ALA QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 840, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 934, 935, 936,
&end
#
# 55 SER HG 57 ASN HN 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 842, 860, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 55 SER HG 60 ASP- HB2 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= 842, 922, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 55 SER HG 60 ASP- HB3 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= 842, 923, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 55 SER HG 64 ASN HD21 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 842, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 SER HG 64 ASN HD22 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 842, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 SER HN 55 SER QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 839, 840,
&end
#
# 55 SER HN 61 ALA QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 934, 935, 936,
&end
#
# 55 SER QB 57 ASN HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 839, 840,
&end
#
# 55 SER QB 60 ASP- HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 839, 840,
&end
#
# 55 SER QB 60 ASP- HB3 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 839, 840,
&end
#
# 55 SER QB 61 ALA HA 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 839, 840,
&end
#
# 55 SER QB 61 ALA HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 839, 840,
&end
#
# 55 SER QB 61 ALA QB 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 839, 840,
igr2= 934, 935, 936,
&end
#
# 55 SER QB 64 ASN QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 839, 840,
igr2= 977, 978,
&end
#
# 56 THR HA 56 THR QG2 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 852, 853, 854,
&end
#
# 56 THR HN 56 THR HG1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 846, 856, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 56 THR HN 56 THR QG2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 846, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 852, 853, 854,
&end
#
# 56 THR HN 57 ASN HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 846, 860, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 56 THR HN 57 ASN HN 2.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 846, 860, r1= 1.50, r2= 2.00, r3=100.00, r4=100.50, &end
#
# 56 THR QG2 56 THR HG1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, 856, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr1= 852, 853, 854,
&end
#
# 56 THR QG2 57 ASN HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 852, 853, 854,
&end
#
# 57 ASN HA 58 LYS+ HA 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= 862, 876, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 57 ASN HA 58 LYS+ HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 862, 874, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 57 ASN HB2 58 LYS+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 864, 874, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 57 ASN HB3 58 LYS+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 865, 874, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 57 ASN HN 61 ALA HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 860, 930, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 57 ASN HN 61 ALA QB 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 934, 935, 936,
&end
#
# 57 ASN QB 57 ASN QD2 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 864, 865,
igr2= 869, 870,
&end
#
# 57 ASN QB 58 LYS+ HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 864, 865,
&end
#
# 57 ASN QB 59 LYS+ HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 864, 865,
&end
#
# 57 ASN QD2 60 ASP- HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 869, 870,
&end
#
# 57 ASN QD2 60 ASP- HB3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 923, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 869, 870,
&end
#
# 57 ASN QD2 60 ASP- HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 869, 870,
&end
#
# 58 LYS+ HA 58 LYS+ HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 876, 881, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 LYS+ HA 58 LYS+ HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 876, 882, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 58 LYS+ HA 58 LYS+ QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 881, 882,
&end
#
# 58 LYS+ HA 61 ALA HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 876, 930, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 58 LYS+ HA 61 ALA QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 934, 935, 936,
&end
#
# 58 LYS+ HA 62 GLN HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 876, 940, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 58 LYS+ HB2 59 LYS+ HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 878, 896, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 58 LYS+ HB3 59 LYS+ HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 879, 896, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 58 LYS+ HG2 59 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 881, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS+ HG3 59 LYS+ HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS+ HN 58 LYS+ HB2 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 874, 878, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 58 LYS+ HN 58 LYS+ HB3 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 874, 879, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 58 LYS+ HN 58 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 874, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS+ HN 58 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 874, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LYS+ HN 58 LYS+ HG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 874, 881, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 58 LYS+ HN 58 LYS+ HG3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 874, 882, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 58 LYS+ HN 58 LYS+ QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 878, 879,
&end
#
# 58 LYS+ HN 58 LYS+ QD 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 884, 885,
&end
#
# 58 LYS+ HN 58 LYS+ QG 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 881, 882,
&end
#
# 58 LYS+ HN 59 LYS+ HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 874, 896, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 58 LYS+ QB 58 LYS+ QD 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 878, 879,
igr2= 884, 885,
&end
#
# 58 LYS+ QB 58 LYS+ QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 878, 879,
igr2= 887, 888,
&end
#
# 58 LYS+ QB 59 LYS+ 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= 878, 879,
igr2= 900, 901,
&end
#
# 58 LYS+ QG 58 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= 881, 882,
igr2= 887, 888,
&end
#
# 58 LYS+ QG 59 LYS+ HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 881, 882,
&end
#
# 59 LYS+ HA 59 LYS+ QG 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 903, 904,
&end
#
# 59 LYS+ HA 62 GLN HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 898, 940, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 59 LYS+ HA 62 GLN QB 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 944, 945,
&end
#
# 59 LYS+ HA 62 GLN QG 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 947, 948,
&end
#
# 59 LYS+ HA 63 SER HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= 898, 957, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 59 LYS+ HB2 60 ASP- HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 900, 918, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 59 LYS+ HB2 61 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 900, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HB3 60 ASP- HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 901, 918, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 59 LYS+ HB3 61 ALA HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 901, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HG2 60 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 903, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HG3 60 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HN 59 LYS+ HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HN 59 LYS+ HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 896, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 59 LYS+ HN 59 LYS+ HG2 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 59 LYS+ HN 59 LYS+ HG3 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 896, 904, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 59 LYS+ HN 59 LYS+ QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 900, 901,
&end
#
# 59 LYS+ HN 59 LYS+ QG 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 903, 904,
&end
#
# 59 LYS+ HN 60 ASP- HB2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 896, 922, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 59 LYS+ HN 60 ASP- HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 896, 918, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 59 LYS+ QB 60 ASP- HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 900, 901,
&end
#
# 59 LYS+ QB 60 ASP- HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 900, 901,
&end
#
# 59 LYS+ QG 60 ASP- HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1, 918, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 903, 904,
&end
#
# 60 ASP- HA 63 SER HB2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 920, 961, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 60 ASP- HA 63 SER HB3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 920, 962, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 60 ASP- HA 63 SER HN 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 920, 957, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 60 ASP- HA 63 SER QB 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 961, 962,
&end
#
# 60 ASP- HB2 61 ALA HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 60 ASP- HB3 61 ALA HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 60 ASP- HB3 61 ALA QB 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 934, 935, 936,
&end
#
# 60 ASP- HB3 64 ASN QD2 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= 923, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 977, 978,
&end
#
# 60 ASP- HN 60 ASP- HB2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 918, 922, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 60 ASP- HN 60 ASP- HB3 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 918, 923, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 60 ASP- HN 61 ALA HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 918, 930, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 60 ASP- HN 62 GLN HN 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 918, 940, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 61 ALA HA 64 ASN HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 932, 972, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 61 ALA HA 64 ASN HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 932, 973, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 61 ALA HA 64 ASN HD21 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 932, 977, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 61 ALA HA 64 ASN HD22 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 932, 978, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 61 ALA HA 64 ASN HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 932, 968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 61 ALA HA 64 ASN QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 972, 973,
&end
#
# 61 ALA HA 64 ASN QD2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 977, 978,
&end
#
# 61 ALA HA 65 ALA HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 932, 982, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 61 ALA HN 61 ALA QB 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 934, 935, 936,
&end
#
# 61 ALA HN 62 GLN HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 930, 940, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 61 ALA HN 64 ASN HN 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 930, 968, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 61 ALA QB 62 GLN HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 934, 935, 936,
&end
#
# 62 GLN HA 65 ALA HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 942, 982, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 62 GLN HA 65 ALA QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 942, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 986, 987, 988,
&end
#
# 62 GLN HA 66 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 942, 992, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 62 GLN HB2 63 SER HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 944, 957, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 62 GLN HB2 64 ASN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 944, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLN HB3 63 SER HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 62 GLN HB3 64 ASN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 945, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLN HN 62 GLN HB2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 62 GLN HN 62 GLN HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 62 GLN HN 62 GLN HG2 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 62 GLN HN 62 GLN HG3 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 940, 948, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 62 GLN HN 62 GLN QB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 944, 945,
&end
#
# 62 GLN HN 62 GLN QG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 940, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 947, 948,
&end
#
# 62 GLN HN 63 SER HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 62 GLN HN 64 ASN HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 940, 968, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 62 GLN QB 63 SER HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 944, 945,
&end
#
# 62 GLN QB 64 ASN HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 944, 945,
&end
#
# 62 GLN QG 63 SER HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 947, 948,
&end
#
# 63 SER HB2 64 ASN HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 961, 968, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 63 SER HB3 64 ASN HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 962, 968, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 63 SER HN 64 ASN HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 957, 968, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 63 SER HN 65 ALA QB 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 986, 987, 988,
&end
#
# 63 SER QB 64 ASN HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 961, 962,
&end
#
# 64 ASN HA 67 ARG+ HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 970,1002, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 64 ASN HB2 65 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 972, 982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 ASN HB2 65 ALA QB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 986, 987, 988,
&end
#
# 64 ASN HB3 65 ALA HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 973, 982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 64 ASN HB3 65 ALA QB 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 986, 987, 988,
&end
#
# 64 ASN HN 64 ASN HB2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 968, 972, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 64 ASN HN 64 ASN HB3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 968, 973, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 64 ASN HN 64 ASN HD21 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 968, 977, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 64 ASN HN 64 ASN HD22 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= 968, 978, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 64 ASN HN 64 ASN QD2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2= 977, 978,
&end
#
# 64 ASN HN 65 ALA HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 968, 982, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 64 ASN HN 65 ALA QB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 986, 987, 988,
&end
#
# 64 ASN HN 66 ALA HN 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 968, 992, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 64 ASN HN 66 ALA QB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 996, 997, 998,
&end
#
# 64 ASN QB 65 ALA HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 972, 973,
&end
#
# 64 ASN QB 65 ALA QB 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1= 972, 973,
igr2= 986, 987, 988,
&end
#
# 65 ALA HA 68 ASP- HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 984,1030, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 ALA HA 68 ASP- HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 984,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 65 ALA HA 68 ASP- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 984,1026, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 65 ALA HA 68 ASP- QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1030,1031,
&end
#
# 65 ALA HA 69 PHE HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 984,1038, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 65 ALA HN 65 ALA QB 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 986, 987, 988,
&end
#
# 65 ALA HN 66 ALA HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 982, 992, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 65 ALA HN 66 ALA QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 996, 997, 998,
&end
#
# 65 ALA QB 66 ALA HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 994, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 986, 987, 988,
&end
#
# 65 ALA QB 66 ALA HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 992, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1= 986, 987, 988,
&end
#
# 65 ALA QB 66 ALA QB 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 986, 987, 988,
igr2= 996, 997, 998,
&end
#
# 65 ALA QB 68 ASP- QB 1.80 5.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 986, 987, 988,
igr2=1030,1031,
&end
#
# 66 ALA HA 69 PHE HB2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 994,1042, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 66 ALA HA 69 PHE HB3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 994,1043, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 66 ALA HA 69 PHE HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 994,1038, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 66 ALA HA 69 PHE QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1042,1043,
&end
#
# 66 ALA HA 70 VAL HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 994,1058, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 66 ALA HA 70 VAL QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1068,1069,1070,
&end
#
# 66 ALA HN 66 ALA QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 996, 997, 998,
&end
#
# 66 ALA HN 67 ARG+ HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 992,1002, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 66 ALA QB 67 ARG+ HA 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 996, 997, 998,
&end
#
# 66 ALA QB 67 ARG+ HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 996, 997, 998,
&end
#
# 66 ALA QB 68 ASP- HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 996, 997, 998,
&end
#
# 66 ALA QB 70 VAL HN 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 996, 997, 998,
&end
#
# 67 ARG+ HA 67 ARG+ HD2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1004,1012, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 67 ARG+ HA 67 ARG+ HD3 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1004,1013, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 67 ARG+ HA 67 ARG+ QG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2=1009,1010,
&end
#
# 67 ARG+ HA 70 VAL HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1004,1062, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 67 ARG+ HA 70 VAL HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1004,1058, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 67 ARG+ HA 70 VAL QG1 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1064,1065,1066,
&end
#
# 67 ARG+ HA 70 VAL QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1068,1069,1070,
&end
#
# 67 ARG+ HB2 68 ASP- HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1006,1026, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 67 ARG+ HB3 68 ASP- HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1007,1026, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 67 ARG+ HN 67 ARG+ HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1002,1006, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 67 ARG+ HN 67 ARG+ HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 67 ARG+ HN 67 ARG+ HD2 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1002,1012, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 67 ARG+ HN 67 ARG+ HD3 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1002,1013, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 67 ARG+ HN 67 ARG+ HG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1002,1009, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 67 ARG+ HN 67 ARG+ HG3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1002,1010, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 67 ARG+ HN 67 ARG+ QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2=1006,1007,
&end
#
# 67 ARG+ HN 67 ARG+ QD 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1012,1013,
&end
#
# 67 ARG+ HN 68 ASP- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1002,1026, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 67 ARG+ HN 68 ASP- QB 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1030,1031,
&end
#
# 67 ARG+ QB 68 ASP- HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1006,1007,
&end
#
# 68 ASP- HA 71 ASN HD21 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1028,1083, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 68 ASP- HA 71 ASN HD22 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1028,1084, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 68 ASP- HA 71 ASN HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1028,1074, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 ASP- HA 71 ASN QB 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1078,1079,
&end
#
# 68 ASP- HA 71 ASN QD2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1083,1084,
&end
#
# 68 ASP- HB2 69 PHE HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 ASP- HB3 69 PHE HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1031,1038, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 ASP- HN 68 ASP- HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 68 ASP- HN 68 ASP- HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1026,1031, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 68 ASP- HN 68 ASP- QB 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1030,1031,
&end
#
# 68 ASP- HN 69 PHE HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1026,1038, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 68 ASP- HN 70 VAL HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1026,1058, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 68 ASP- QB 69 PHE HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1=1030,1031,
&end
#
# 69 PHE HA 69 PHE QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2=1046,1054,
&end
#
# 69 PHE HA 72 TYR HB2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1040,1092, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 69 PHE HA 72 TYR HB3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1040,1093, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 69 PHE HA 72 TYR HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1040,1088, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 69 PHE HA 72 TYR QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1092,1093,
&end
#
# 69 PHE HA 72 TYR QD 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1096,1105,
&end
#
# 69 PHE HA 73 LEU HN 1.80 5.29
&rst
ixpk= 0, nxpk= 0, iat=1040,1109, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 69 PHE HB2 70 VAL HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1042,1058, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 69 PHE HB2 70 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1042, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1068,1069,1070,
&end
#
# 69 PHE HB3 70 VAL HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 69 PHE HB3 70 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1043, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1068,1069,1070,
&end
#
# 69 PHE HN 69 PHE HB2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 69 PHE HN 69 PHE HB3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 69 PHE HN 69 PHE QB 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1042,1043,
&end
#
# 69 PHE HN 69 PHE QD 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1046,1054,
&end
#
# 69 PHE HN 70 VAL HB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 69 PHE HN 70 VAL HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1038,1058, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 69 PHE HN 70 VAL QG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2=1068,1069,1070,
&end
#
# 69 PHE HZ 72 TYR QD 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1096,1105,
&end
#
# 69 PHE HZ 72 TYR QE 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1098,1103,
&end
#
# 69 PHE HZ 73 LEU QD2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1122,1123,1124,
&end
#
# 69 PHE QB 70 VAL HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1042,1043,
&end
#
# 69 PHE QB 70 VAL QG2 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=1042,1043,
igr2=1068,1069,1070,
&end
#
# 69 PHE QD 70 VAL HA 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1046,1054,
&end
#
# 69 PHE QD 70 VAL HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1,1058, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1046,1054,
&end
#
# 69 PHE QD 70 VAL QG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1046,1054,
igr2=1068,1069,1070,
&end
#
# 69 PHE QD 72 TYR QD 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr1=1046,1054,
igr2=1096,1105,
&end
#
# 69 PHE QD 73 LEU HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1046,1054,
&end
#
# 69 PHE QD 73 LEU QD1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1046,1054,
igr2=1118,1119,1120,
&end
#
# 69 PHE QD 73 LEU QD2 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=1046,1054,
igr2=1122,1123,1124,
&end
#
# 69 PHE QE 72 TYR QE 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=1048,1052,
igr2=1098,1103,
&end
#
# 69 PHE QE 73 LEU HG 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1048,1052,
&end
#
# 69 PHE QE 73 LEU QD1 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=1048,1052,
igr2=1118,1119,1120,
&end
#
# 69 PHE QE 73 LEU QD2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1048,1052,
igr2=1122,1123,1124,
&end
#
# 70 VAL HA 70 VAL QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1064,1065,1066,
&end
#
# 70 VAL HA 70 VAL QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1068,1069,1070,
&end
#
# 70 VAL HA 73 LEU HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1060,1113, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 70 VAL HA 73 LEU HB3 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1060,1114, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 70 VAL HA 73 LEU HG 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1060,1116, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 70 VAL HA 73 LEU HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1060,1109, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 70 VAL HA 73 LEU QD1 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1118,1119,1120,
&end
#
# 70 VAL HA 74 VAL HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1060,1128, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 70 VAL HA 84 VAL QG2 1.80 5.08
&rst
ixpk= 0, nxpk= 0, iat=1060, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2=1305,1306,1307,
&end
#
# 70 VAL HB 71 ASN HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1062,1074, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 70 VAL HB 73 LEU QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1118,1119,1120,
&end
#
# 70 VAL HN 70 VAL HB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1058,1062, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 70 VAL HN 70 VAL QG1 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1064,1065,1066,
&end
#
# 70 VAL HN 70 VAL QG2 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1058, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2=1068,1069,1070,
&end
#
# 70 VAL HN 71 ASN HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1058,1074, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 70 VAL HN 72 TYR HN 1.80 5.20
&rst
ixpk= 0, nxpk= 0, iat=1058,1088, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 70 VAL QG1 71 ASN HA 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1064,1065,1066,
&end
#
# 70 VAL QG1 71 ASN HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1=1064,1065,1066,
&end
#
# 70 VAL QG1 73 LEU HB2 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1113, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1064,1065,1066,
&end
#
# 70 VAL QG1 73 LEU HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1064,1065,1066,
&end
#
# 70 VAL QG1 73 LEU QD1 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1064,1065,1066,
igr2=1118,1119,1120,
&end
#
# 70 VAL QG1 74 VAL HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1064,1065,1066,
&end
#
# 70 VAL QG1 84 VAL QG1 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1064,1065,1066,
igr2=1301,1302,1303,
&end
#
# 70 VAL QG1 84 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1064,1065,1066,
igr2=1305,1306,1307,
&end
#
# 70 VAL QG2 71 ASN HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1074, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1068,1069,1070,
&end
#
# 70 VAL QG2 73 LEU QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1068,1069,1070,
igr2=1118,1119,1120,
&end
#
# 70 VAL QG2 84 VAL QG1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1068,1069,1070,
igr2=1301,1302,1303,
&end
#
# 70 VAL QG2 84 VAL QG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1=1068,1069,1070,
igr2=1305,1306,1307,
&end
#
# 71 ASN HA 71 ASN QD2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1083,1084,
&end
#
# 71 ASN HA 74 VAL HB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1076,1132, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 71 ASN HA 74 VAL HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1076,1128, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 71 ASN HA 74 VAL QG2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1138,1139,1140,
&end
#
# 71 ASN HA 75 ARG+ HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1076,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 71 ASN HB2 72 TYR HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 71 ASN HB3 72 TYR HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1079,1088, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 71 ASN HN 71 ASN HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 71 ASN HN 71 ASN HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 71 ASN HN 71 ASN HD21 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1074,1083, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 71 ASN HN 71 ASN HD22 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1074,1084, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 71 ASN HN 71 ASN QD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1074, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1083,1084,
&end
#
# 71 ASN HN 72 TYR HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1074,1088, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 71 ASN HN 73 LEU HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1074,1109, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 71 ASN QB 71 ASN QD2 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=1078,1079,
igr2=1083,1084,
&end
#
# 71 ASN QB 72 TYR HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1078,1079,
&end
#
# 72 TYR HA 72 TYR QD 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1096,1105,
&end
#
# 72 TYR HA 74 VAL HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1090,1128, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 72 TYR HA 75 ARG+ HB2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1090,1148, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 72 TYR HA 75 ARG+ HB3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1090,1149, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 72 TYR HA 75 ARG+ HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1090,1144, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 72 TYR HA 75 ARG+ QB 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1148,1149,
&end
#
# 72 TYR HA 75 ARG+ QG 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1151,1152,
&end
#
# 72 TYR HB2 73 LEU HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 72 TYR HB3 73 LEU HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1093,1109, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 72 TYR HN 72 TYR HB2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 72 TYR HN 72 TYR HB3 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1088,1093, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 72 TYR HN 72 TYR QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2=1092,1093,
&end
#
# 72 TYR HN 72 TYR QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2=1096,1105,
&end
#
# 72 TYR HN 73 LEU HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1088,1109, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 72 TYR QB 73 LEU HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1092,1093,
&end
#
# 72 TYR QD 73 LEU HA 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1111, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1096,1105,
&end
#
# 72 TYR QD 73 LEU HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1116, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1096,1105,
&end
#
# 72 TYR QD 73 LEU HN 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1096,1105,
&end
#
# 72 TYR QD 73 LEU QD2 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=1096,1105,
igr2=1122,1123,1124,
&end
#
# 72 TYR QD 76 ILE QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1096,1105,
igr2=1181,1182,1183,
&end
#
# 72 TYR QD 76 ILE QG2 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=1096,1105,
igr2=1174,1175,1176,
&end
#
# 72 TYR QE 73 LEU QD2 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=1098,1103,
igr2=1122,1123,1124,
&end
#
# 72 TYR QE 76 ILE QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1098,1103,
igr2=1181,1182,1183,
&end
#
# 72 TYR QE 76 ILE QG2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1098,1103,
igr2=1174,1175,1176,
&end
#
# 73 LEU HA 73 LEU HG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 73 LEU HA 73 LEU QD1 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2=1118,1119,1120,
&end
#
# 73 LEU HA 73 LEU QD2 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1122,1123,1124,
&end
#
# 73 LEU HA 75 ARG+ HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat=1111,1144, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 73 LEU HA 76 ILE HB 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=1111,1172, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 73 LEU HA 76 ILE HG12 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1111,1178, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 73 LEU HA 76 ILE HG13 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat=1111,1179, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 73 LEU HA 76 ILE HN 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1111,1168, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 73 LEU HA 76 ILE QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1181,1182,1183,
&end
#
# 73 LEU HA 76 ILE QG2 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr2=1174,1175,1176,
&end
#
# 73 LEU HA 78 GLU- HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1111,1205, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 73 LEU HA 78 GLU- HB3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1111,1206, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 73 LEU HA 78 GLU- HG2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1111,1208, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 73 LEU HA 78 GLU- HG3 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat=1111,1209, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 73 LEU HA 78 GLU- HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat=1111,1201, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 73 LEU HA 78 GLU- QG 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2=1208,1209,
&end
#
# 73 LEU HA 79 VAL HN 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat=1111,1216, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 73 LEU HA 79 VAL QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1111, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1226,1227,1228,
&end
#
# 73 LEU HB2 73 LEU QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1118,1119,1120,
&end
#
# 73 LEU HB2 73 LEU QD2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1122,1123,1124,
&end
#
# 73 LEU HB2 74 VAL HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat=1113,1128, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 73 LEU HB2 74 VAL QG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1138,1139,1140,
&end
#
# 73 LEU HB2 79 VAL HB 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1113,1220, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 73 LEU HB2 79 VAL QG2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1226,1227,1228,
&end
#
# 73 LEU HB3 73 LEU QD1 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2=1118,1119,1120,
&end
#
# 73 LEU HB3 73 LEU QD2 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1122,1123,1124,
&end
#
# 73 LEU HB3 74 VAL HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1114,1128, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 73 LEU HB3 78 GLU- HB2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1114,1205, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 73 LEU HB3 78 GLU- HB3 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1114,1206, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 73 LEU HB3 79 VAL HB 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1114,1220, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 73 LEU HB3 79 VAL HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat=1114,1216, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 73 LEU HB3 79 VAL QG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1226,1227,1228,
&end
#
# 73 LEU HN 73 LEU HB2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1109,1113, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 73 LEU HN 73 LEU HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1109,1114, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 73 LEU HN 73 LEU HG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 73 LEU HN 73 LEU QD1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1118,1119,1120,
&end
#
# 73 LEU HN 73 LEU QD2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1122,1123,1124,
&end
#
# 73 LEU HN 74 VAL HB 1.80 5.30
&rst
ixpk= 0, nxpk= 0, iat=1109,1132, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 73 LEU HN 74 VAL HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1109,1128, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 73 LEU HN 76 ILE QD1 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr2=1181,1182,1183,
&end
#
# 73 LEU QD1 74 VAL HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1128, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1118,1119,1120,
&end
#
# 73 LEU QD1 78 GLU- HB3 1.80 4.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1118,1119,1120,
&end
#
# 73 LEU QD1 79 VAL HB 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat= -1,1220, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
igr1=1118,1119,1120,
&end
#
# 73 LEU QD1 79 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1118,1119,1120,
&end
#
# 73 LEU QD1 79 VAL QG1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1118,1119,1120,
igr2=1222,1223,1224,
&end
#
# 73 LEU QD1 79 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1118,1119,1120,
igr2=1226,1227,1228,
&end
#
# 73 LEU QD2 76 ILE HG12 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 76 ILE HG13 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 76 ILE HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 76 ILE QD1 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1122,1123,1124,
igr2=1181,1182,1183,
&end
#
# 73 LEU QD2 78 GLU- HA 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 78 GLU- HB2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 78 GLU- HB3 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 78 GLU- HG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 78 GLU- HG3 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 78 GLU- HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1122,1123,1124,
&end
#
# 73 LEU QD2 78 GLU- QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1122,1123,1124,
igr2=1208,1209,
&end
#
# 73 LEU QD2 79 VAL HN 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1122,1123,1124,
&end
#
# 74 VAL HA 74 VAL QG1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1134,1135,1136,
&end
#
# 74 VAL HA 74 VAL QG2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1130, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1138,1139,1140,
&end
#
# 74 VAL HA 77 ASN HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1130,1187, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 74 VAL HA 78 GLU- HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1130,1201, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 74 VAL HA 79 VAL HB 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat=1130,1220, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 74 VAL HA 79 VAL HN 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1130,1216, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 74 VAL HB 75 ARG+ HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 74 VAL HN 74 VAL HB 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1128,1132, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 74 VAL HN 74 VAL QG1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1134,1135,1136,
&end
#
# 74 VAL HN 74 VAL QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1138,1139,1140,
&end
#
# 74 VAL HN 75 ARG+ HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1128,1144, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 74 VAL HN 79 VAL HB 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1128,1220, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 74 VAL HN 79 VAL HN 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1128,1216, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 74 VAL HN 79 VAL QG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat=1128, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1226,1227,1228,
&end
#
# 74 VAL QG1 75 ARG+ HA 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1,1146, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 75 ARG+ HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 77 ASN HA 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1189, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 77 ASN HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 80 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 81 SER HA 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 81 SER HN 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1=1134,1135,1136,
&end
#
# 74 VAL QG1 81 SER QB 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1=1134,1135,1136,
igr2=1258,1259,
&end
#
# 74 VAL QG2 75 ARG+ HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1144, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 77 ASN HN 1.80 5.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 79 VAL HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 80 LYS+ HA 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 81 SER HA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 81 SER HB2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1258, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 81 SER HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1259, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 81 SER HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 81 SER QB 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=1138,1139,1140,
igr2=1258,1259,
&end
#
# 74 VAL QG2 82 GLU- HN 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr1=1138,1139,1140,
&end
#
# 74 VAL QG2 84 VAL QG2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1138,1139,1140,
igr2=1305,1306,1307,
&end
#
# 75 ARG+ HA 75 ARG+ QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1146, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1151,1152,
&end
#
# 75 ARG+ HA 77 ASN HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat=1146,1187, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 75 ARG+ HB2 76 ILE HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1148,1168, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 75 ARG+ HB2 76 ILE QG2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1174,1175,1176,
&end
#
# 75 ARG+ HB3 76 ILE HN 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1149,1168, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 75 ARG+ HB3 76 ILE QG2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat=1149, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1174,1175,1176,
&end
#
# 75 ARG+ HG2 76 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1151,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ARG+ HG3 76 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1152,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ARG+ HN 75 ARG+ HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1144,1148, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 75 ARG+ HN 75 ARG+ HB3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1144,1149, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 75 ARG+ HN 75 ARG+ HD2 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 75 ARG+ HN 75 ARG+ HD3 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1144,1155, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 75 ARG+ HN 75 ARG+ HG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1144,1151, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 75 ARG+ HN 75 ARG+ HG3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1144,1152, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 75 ARG+ HN 75 ARG+ QB 1.80 3.06
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1148,1149,
&end
#
# 75 ARG+ HN 75 ARG+ QD 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1154,1155,
&end
#
# 75 ARG+ HN 75 ARG+ QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1151,1152,
&end
#
# 75 ARG+ HN 76 ILE HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1144,1168, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 75 ARG+ HN 76 ILE QG2 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1144, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1174,1175,1176,
&end
#
# 75 ARG+ QB 76 ILE HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1148,1149,
&end
#
# 75 ARG+ QB 76 ILE QG2 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=1148,1149,
igr2=1174,1175,1176,
&end
#
# 75 ARG+ QB 77 ASN HN 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1148,1149,
&end
#
# 75 ARG+ QG 76 ILE HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1151,1152,
&end
#
# 76 ILE HA 76 ILE QD1 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1181,1182,1183,
&end
#
# 76 ILE HA 76 ILE QG2 1.80 2.97
&rst
ixpk= 0, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2=1174,1175,1176,
&end
#
# 76 ILE HB 76 ILE QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1172, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1181,1182,1183,
&end
#
# 76 ILE HB 77 ASN HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1172,1187, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 76 ILE HG12 78 GLU- HG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1178,1208, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 ILE HG12 78 GLU- HG3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1178,1209, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 ILE HG12 78 GLU- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1178,1201, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 76 ILE HG13 78 GLU- HG2 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1179,1208, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 ILE HG13 78 GLU- HG3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1179,1209, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 76 ILE HG13 78 GLU- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1179,1201, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 76 ILE HN 76 ILE HB 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 76 ILE HN 76 ILE HG12 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1168,1178, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 76 ILE HN 76 ILE HG13 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1168,1179, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 76 ILE HN 76 ILE QG1 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1178,1179,
&end
#
# 76 ILE HN 76 ILE QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1168, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1174,1175,1176,
&end
#
# 76 ILE HN 77 ASN HA 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1168,1189, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 76 ILE HN 77 ASN HN 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat=1168,1187, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 76 ILE HN 78 GLU- HB2 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat=1168,1205, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 76 ILE HN 78 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1168,1201, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 76 ILE QD1 78 GLU- HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1181,1182,1183,
&end
#
# 76 ILE QD1 78 GLU- HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1181,1182,1183,
&end
#
# 76 ILE QD1 78 GLU- HB3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1181,1182,1183,
&end
#
# 76 ILE QD1 78 GLU- HG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1208, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1181,1182,1183,
&end
#
# 76 ILE QD1 78 GLU- HG3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1209, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1181,1182,1183,
&end
#
# 76 ILE QD1 78 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1181,1182,1183,
&end
#
# 76 ILE QD1 78 GLU- QG 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1181,1182,1183,
igr2=1208,1209,
&end
#
# 76 ILE QD1 79 VAL HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1181,1182,1183,
&end
#
# 76 ILE QG1 78 GLU- HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1178,1179,
&end
#
# 76 ILE QG1 78 GLU- HB2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1205, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1178,1179,
&end
#
# 76 ILE QG1 78 GLU- HB3 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1178,1179,
&end
#
# 76 ILE QG1 78 GLU- HN 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1=1178,1179,
&end
#
# 76 ILE QG1 78 GLU- QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1178,1179,
igr2=1208,1209,
&end
#
# 76 ILE QG1 79 VAL HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1178,1179,
&end
#
# 76 ILE QG2 76 ILE HG12 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1174,1175,1176,
&end
#
# 76 ILE QG2 76 ILE HG13 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1,1179, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1174,1175,1176,
&end
#
# 76 ILE QG2 76 ILE QD1 1.80 2.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr1=1174,1175,1176,
igr2=1181,1182,1183,
&end
#
# 76 ILE QG2 77 ASN HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1,1187, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1174,1175,1176,
&end
#
# 76 ILE QG2 78 GLU- HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1201, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1=1174,1175,1176,
&end
#
# 77 ASN HA 77 ASN HD21 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1189,1196, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 77 ASN HA 77 ASN HD22 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat=1189,1197, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 77 ASN HA 77 ASN QD2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1196,1197,
&end
#
# 77 ASN HA 79 VAL HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1189,1216, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 77 ASN HB2 78 GLU- HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 77 ASN HB3 78 GLU- HN 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1192,1201, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 77 ASN HN 77 ASN HB2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1187,1191, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 77 ASN HN 77 ASN HB3 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1187,1192, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 77 ASN HN 78 GLU- HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1187,1201, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 77 ASN HN 79 VAL HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1187,1216, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 77 ASN QB 77 ASN QD2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1191,1192,
igr2=1196,1197,
&end
#
# 78 GLU- HA 78 GLU- QG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1208,1209,
&end
#
# 78 GLU- HA 79 VAL QG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1226,1227,1228,
&end
#
# 78 GLU- HB2 79 VAL HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1205,1216, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 78 GLU- HB2 79 VAL QG2 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2=1226,1227,1228,
&end
#
# 78 GLU- HB3 79 VAL HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 78 GLU- HB3 79 VAL QG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1226,1227,1228,
&end
#
# 78 GLU- HN 78 GLU- HB2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1201,1205, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 78 GLU- HN 78 GLU- HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1201,1206, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 78 GLU- HN 78 GLU- HG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1201,1208, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 78 GLU- HN 78 GLU- HG3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat=1201,1209, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 78 GLU- HN 78 GLU- QG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1208,1209,
&end
#
# 78 GLU- HN 79 VAL HB 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 78 GLU- HN 79 VAL HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1201,1216, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 78 GLU- HN 79 VAL QG2 1.80 5.04
&rst
ixpk= 0, nxpk= 0, iat=1201, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1226,1227,1228,
&end
#
# 78 GLU- QG 79 VAL HN 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1208,1209,
&end
#
# 78 GLU- QG 79 VAL QG2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
igr1=1208,1209,
igr2=1226,1227,1228,
&end
#
# 79 VAL HA 79 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1222,1223,1224,
&end
#
# 79 VAL HA 79 VAL QG2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2=1226,1227,1228,
&end
#
# 79 VAL HA 80 LYS+ HN 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1218,1232, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41, &end
#
# 79 VAL HA 80 LYS+ QG 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2=1239,1240,
&end
#
# 79 VAL HB 80 LYS+ HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1220,1232, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 79 VAL HN 79 VAL HB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1216,1220, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 79 VAL HN 79 VAL QG1 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1222,1223,1224,
&end
#
# 79 VAL HN 79 VAL QG2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1226,1227,1228,
&end
#
# 79 VAL HN 80 LYS+ HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat=1216,1232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 79 VAL QG1 80 LYS+ HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 80 LYS+ HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 83 GLU- HB2 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1284, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 83 GLU- HB3 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1,1285, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 83 GLU- HG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1287, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 83 GLU- HG3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 83 GLU- HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 83 GLU- QG 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1222,1223,1224,
igr2=1287,1288,
&end
#
# 79 VAL QG1 84 VAL HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1222,1223,1224,
&end
#
# 79 VAL QG1 84 VAL QG2 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=1222,1223,1224,
igr2=1305,1306,1307,
&end
#
# 79 VAL QG2 80 LYS+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1232, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1226,1227,1228,
&end
#
# 80 LYS+ HA 80 LYS+ HG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 80 LYS+ HA 80 LYS+ HG3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1234,1240, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 80 LYS+ HA 81 SER HN 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1234,1254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 80 LYS+ HA 81 SER QB 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1258,1259,
&end
#
# 80 LYS+ HA 82 GLU- HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1234,1265, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 80 LYS+ HB2 81 SER HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1236,1254, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 80 LYS+ HB2 82 GLU- HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1236,1265, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 80 LYS+ HB2 83 GLU- HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1236,1280, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 80 LYS+ HB2 83 GLU- QG 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1287,1288,
&end
#
# 80 LYS+ HB3 81 SER HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 80 LYS+ HB3 82 GLU- HG2 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat=1237,1272, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 80 LYS+ HB3 82 GLU- HG3 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat=1237,1273, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 80 LYS+ HB3 82 GLU- HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1237,1265, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 80 LYS+ HB3 82 GLU- QG 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1272,1273,
&end
#
# 80 LYS+ HN 80 LYS+ HB2 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1232,1236, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 80 LYS+ HN 80 LYS+ HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1232,1237, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 80 LYS+ HN 80 LYS+ HG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 80 LYS+ HN 80 LYS+ HG3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1232,1240, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 80 LYS+ HN 80 LYS+ QG 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1239,1240,
&end
#
# 80 LYS+ HN 81 SER HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1232,1254, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 80 LYS+ HN 83 GLU- HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1232,1284, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 80 LYS+ HN 83 GLU- HG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1232,1287, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 80 LYS+ HN 83 GLU- HG3 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1232,1288, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 80 LYS+ HN 83 GLU- HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat=1232,1280, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 80 LYS+ HN 83 GLU- QG 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1232, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1287,1288,
&end
#
# 80 LYS+ QG 81 SER HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1254, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1=1239,1240,
&end
#
# 81 SER HA 84 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1305,1306,1307,
&end
#
# 81 SER HB2 84 VAL HB 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1258,1299, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 81 SER HB3 84 VAL HB 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat=1259,1299, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 81 SER HN 81 SER QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1254, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1258,1259,
&end
#
# 81 SER HN 82 GLU- HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1254,1265, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 81 SER HN 83 GLU- HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1254,1280, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 81 SER QB 82 GLU- HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1265, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1258,1259,
&end
#
# 81 SER QB 83 GLU- HN 1.80 5.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1258,1259,
&end
#
# 81 SER QB 84 VAL HB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1258,1259,
&end
#
# 81 SER QB 84 VAL HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1258,1259,
&end
#
# 81 SER QB 84 VAL QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1258,1259,
igr2=1301,1302,1303,
&end
#
# 81 SER QB 84 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1=1258,1259,
igr2=1305,1306,1307,
&end
#
# 82 GLU- HA 82 GLU- QG 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1272,1273,
&end
#
# 82 GLU- HG2 83 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU- HG3 83 GLU- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1273,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU- HN 82 GLU- QB 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1269,1270,
&end
#
# 82 GLU- HN 82 GLU- QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1272,1273,
&end
#
# 82 GLU- HN 83 GLU- HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1265,1280, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 82 GLU- HN 84 VAL HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1265,1295, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 82 GLU- HN 84 VAL QG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1305,1306,1307,
&end
#
# 82 GLU- QB 83 GLU- HN 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1269,1270,
&end
#
# 82 GLU- QG 83 GLU- HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1272,1273,
&end
#
# 83 GLU- HA 83 GLU- HG2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1282,1287, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 83 GLU- HA 83 GLU- HG3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1282,1288, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 83 GLU- HA 83 GLU- QG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1282, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1287,1288,
&end
#
# 83 GLU- HB2 84 VAL HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1284,1295, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 83 GLU- HB3 84 VAL HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1285,1295, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 83 GLU- HB3 84 VAL QG2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1285, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1305,1306,1307,
&end
#
# 83 GLU- HN 83 GLU- HB2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1280,1284, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 83 GLU- HN 83 GLU- HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat=1280,1285, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 83 GLU- HN 83 GLU- HG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1280,1287, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 GLU- HN 83 GLU- HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1280,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 83 GLU- HN 84 VAL HB 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat=1280,1299, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 83 GLU- HN 84 VAL HN 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 83 GLU- HN 84 VAL QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1305,1306,1307,
&end
#
# 83 GLU- QG 84 VAL HN 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1287,1288,
&end
#
# 84 VAL HA 84 VAL QG1 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2=1301,1302,1303,
&end
#
# 84 VAL HA 84 VAL QG2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1305,1306,1307,
&end
#
# 84 VAL HA 85 PRO HD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1297,1312, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 84 VAL HA 85 PRO HD3 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1297,1313, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 84 VAL HN 84 VAL HB 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 84 VAL HN 84 VAL QG1 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1301,1302,1303,
&end
#
# 84 VAL HN 84 VAL QG2 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1305,1306,1307,
&end
#
# 84 VAL HN 85 PRO HD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1295,1312, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 84 VAL HN 85 PRO HD3 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1295,1313, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 84 VAL HN 85 PRO QD 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1312,1313,
&end
#
# 84 VAL QG1 85 PRO HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1301,1302,1303,
&end
#
# 84 VAL QG1 85 PRO HD2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1301,1302,1303,
&end
#
# 84 VAL QG1 85 PRO HD3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1301,1302,1303,
&end
#
# 84 VAL QG1 85 PRO HG2 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1315, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1301,1302,1303,
&end
#
# 84 VAL QG1 85 PRO HG3 1.80 5.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1=1301,1302,1303,
&end
#
# 84 VAL QG1 85 PRO QD 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1301,1302,1303,
igr2=1312,1313,
&end
#
# 84 VAL QG1 85 PRO QG 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1=1301,1302,1303,
igr2=1315,1316,
&end
#
# 84 VAL QG2 85 PRO HD2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 84 VAL QG2 85 PRO HD3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1305,1306,1307,
&end
#
# 84 VAL QG2 85 PRO QD 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1305,1306,1307,
igr2=1312,1313,
&end
#
# 85 PRO HA 86 ALA HN 1.80 2.61
&rst
ixpk= 0, nxpk= 0, iat=1321,1325, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 85 PRO HA 86 ALA QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1329,1330,1331,
&end
#
# 85 PRO HB2 86 ALA HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1318,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 85 PRO HB3 86 ALA HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1319,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 85 PRO QB 86 ALA HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1325, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1318,1319,
&end
#
# 86 ALA HA 87 VAL HN 1.80 2.77
&rst
ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27, &end
#
# 86 ALA HN 86 ALA QB 1.80 2.80
&rst
ixpk= 0, nxpk= 0, iat=1325, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1329,1330,1331,
&end
#
# 86 ALA HN 87 VAL HN 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat=1325,1335, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 86 ALA QB 87 VAL HA 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1337, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1329,1330,1331,
&end
#
# 86 ALA QB 87 VAL HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1335, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr1=1329,1330,1331,
&end
#
# 86 ALA QB 88 GLY HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1329,1330,1331,
&end
#
# 87 VAL HA 87 VAL QG1 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1341,1342,1343,
&end
#
# 87 VAL HA 87 VAL QG2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1337, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1345,1346,1347,
&end
#
# 87 VAL HB 88 GLY HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1339,1351, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 87 VAL HN 87 VAL HB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1335,1339, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 87 VAL HN 87 VAL QG1 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1341,1342,1343,
&end
#
# 87 VAL HN 87 VAL QG2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1345,1346,1347,
&end
#
# 87 VAL HN 87 VAL QQG 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat=1335, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1341,1342,1343,1345,1346,1347,
&end
#
# 87 VAL HN 88 GLY HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat=1335,1351, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 87 VAL QG1 88 GLY HA2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1341,1342,1343,
&end
#
# 87 VAL QG1 88 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1341,1342,1343,
&end
#
# 87 VAL QG1 88 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1341,1342,1343,
&end
#
# 87 VAL QG2 88 GLY HA2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1345,1346,1347,
&end
#
# 87 VAL QG2 88 GLY HA3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1345,1346,1347,
&end
#
# 87 VAL QG2 88 GLY HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1=1345,1346,1347,
&end
#
# 87 VAL QQG 88 GLY HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1351, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1341,1342,1343,1345,1346,1347,
&end
#
# 87 VAL QQG 88 GLY QA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1=1341,1342,1343,1345,1346,1347,
igr2=1353,1354,
&end
#
# 88 GLY HA2 89 ILE HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1353,1358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 GLY HA3 89 ILE HN 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 GLY HN 89 ILE HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1351,1358, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 88 GLY QA 89 ILE HN 1.80 2.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
igr1=1353,1354,
&end
#
# 89 ILE HA 90 VAL HN 1.80 2.87
&rst
ixpk= 0, nxpk= 0, iat=1360,1377, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 89 ILE HB 89 ILE QD1 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat=1362, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1371,1372,1373,
&end
#
# 89 ILE HB 90 VAL HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1362,1377, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 89 ILE HN 89 ILE HB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 89 ILE HN 89 ILE HG12 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1358,1368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 89 ILE HN 89 ILE HG13 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1358,1369, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 89 ILE HN 89 ILE QD1 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1371,1372,1373,
&end
#
# 89 ILE HN 89 ILE QG1 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1368,1369,
&end
#
# 89 ILE HN 89 ILE QG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1364,1365,1366,
&end
#
# 89 ILE HN 90 VAL QQG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2=1383,1384,1385,1387,1388,1389,
&end
#
# 89 ILE QG2 90 VAL HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1364,1365,1366,
&end
#
# 90 VAL HA 91 PRO HD2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1379,1394, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 90 VAL HA 91 PRO HD3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1379,1395, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 90 VAL HA 91 PRO QD 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1379, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1394,1395,
&end
#
# 90 VAL HN 90 VAL HB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1377,1381, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 90 VAL HN 90 VAL QG1 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1383,1384,1385,
&end
#
# 90 VAL HN 90 VAL QG2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1387,1388,1389,
&end
#
# 90 VAL HN 90 VAL QQG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1377, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1383,1384,1385,1387,1388,1389,
&end
# 1495 atoms read from pdb file leap.pdb.