NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
588173 |
2mmy   |
19320 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 19 VAL QG1 83 HIS HE1 5.50 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 255, 256, 257,
&end
#
# 23 GLN HE21 83 HIS HE1 4.75 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat= 314,1249, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 82 PHE QE 83 HIS HE1 5.50 (#SUP 3.42)
&rst
ixpk= 3, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1229,1233,
&end
#
# 23 GLN HE22 83 HIS HE1 4.71 (#SUP 2.81)
&rst
ixpk= 2, nxpk= 0, iat= 315,1249, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 19 VAL HA 83 HIS HE1 5.50 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 251,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 HIS HA 83 HIS HE1 5.50 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat=1241,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLN HG2 83 HIS HE1 5.30 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= 309,1249, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 23 GLN HG3 83 HIS HE1 5.24 (#SUP 2.45)
&rst
ixpk= 2, nxpk= 0, iat= 310,1249, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 24 VAL QG1 83 HIS HE1 5.26 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 325, 326, 327,
&end
#
# 48 TYR QD 60 ALA HA 3.76 (#SUP 7.48)
&rst
ixpk= 7, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 728, 737,
&end
#
# 48 TYR HA 48 TYR QD 3.49 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 728, 737,
&end
#
# 48 TYR QD 59 GLU QG 5.17 (#SUP 1.90)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1= 728, 737,
igr2= 894, 895,
&end
#
# 47 LEU QQD 48 TYR QD 5.36 (#SUP 3.95)
&rst
ixpk= 3, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 8.22, r4= 8.72,
igr2= 728, 737,
&end
#
# 82 PHE H 82 PHE QD 4.54 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1227,1235,
&end
#
# 82 PHE QD 83 HIS H 4.71 (#SUP 8.62)
&rst
ixpk= 8, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1=1227,1235,
&end
#
# 82 PHE HA 82 PHE QD 3.92 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1227,1235,
&end
#
# 27 PHE HB2 82 PHE QD 4.43 (#SUP 2.32)
&rst
ixpk= 2, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1227,1235,
&end
#
# 82 PHE QD 87 ILE QG2 3.98 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1227,1235,
igr2=1303,1304,1305,
&end
#
# 48 TYR QD 60 ALA H 4.53 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 728, 737,
&end
#
# 48 TYR QD 61 THR H 4.14 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 728, 737,
&end
#
# 48 TYR H 48 TYR QD 3.63 (#SUP 7.52)
&rst
ixpk= 7, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 728, 737,
&end
#
# 48 TYR QD 61 THR QG2 4.47 (#SUP 4.16)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 728, 737,
igr2= 918, 919, 920,
&end
#
# 48 TYR QD 60 ALA QB 4.45 (#SUP 8.45)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 728, 737,
igr2= 906, 907, 908,
&end
#
# 27 PHE QE 28 PHE QD 4.58 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 367, 371,
igr2= 385, 393,
&end
#
# 27 PHE QE 28 PHE HB3 3.74 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat= -1, 382, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 367, 371,
&end
#
# 71 LYS HA 91 PHE QD 4.94 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1373,1381,
&end
#
# 91 PHE HA 91 PHE QD 3.38 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1373,1381,
&end
#
# 70 ALA QB 91 PHE QD 3.40 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1040,1041,1042,
igr2=1373,1381,
&end
#
# 10 ILE QG2 91 PHE QD 4.59 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
igr1= 128, 129, 130,
igr2=1373,1381,
&end
#
# 74 ILE QD1 91 PHE QD 3.76 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1=1101,1102,1103,
igr2=1373,1381,
&end
#
# 11 PHE QD 60 ALA HA 4.97 (#SUP 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 149, 157,
&end
#
# 11 PHE QD 92 ALA HA 5.50 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 149, 157,
&end
#
# 11 PHE QE 61 THR QG2 3.72 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 151, 155,
igr2= 918, 919, 920,
&end
#
# 11 PHE QE 60 ALA H 4.85 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 151, 155,
&end
#
# 33 ILE H 64 PHE QD 5.21 (#SUP 3.40)
&rst
ixpk= 3, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 961, 969,
&end
#
# 64 PHE H 64 PHE QD 4.28 (#SUP 5.51)
&rst
ixpk= 5, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 961, 969,
&end
#
# 35 LYS H 64 PHE QD 5.41 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 961, 969,
&end
#
# 64 PHE HA 64 PHE QD 3.87 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat= 955, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 961, 969,
&end
#
# 64 PHE QD 70 ALA HA 4.33 (#SUP 1.64)
&rst
ixpk= 1, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 961, 969,
&end
#
# 64 PHE QD 70 ALA QB 3.80 (#SUP 2.59)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 961, 969,
igr2=1040,1041,1042,
&end
#
# 62 VAL QG2 64 PHE QD 4.94 (#SUP 2.45)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 936, 937, 938,
igr2= 961, 969,
&end
#
# 76 TRP H 77 PHE QD 5.50 (#SUP 3.29)
&rst
ixpk= 3, nxpk= 0, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1151,1159,
&end
#
# 77 PHE H 77 PHE QD 5.37 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1151,1159,
&end
#
# 73 ALA HA 77 PHE QD 4.56 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1151,1159,
&end
#
# 31 ILE HB 77 PHE QD 4.80 (#SUP 3.22)
&rst
ixpk= 3, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2=1151,1159,
&end
#
# 27 PHE H 28 PHE QE 5.50 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 391,
&end
#
# 27 PHE HB2 28 PHE QE 4.94 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 387, 391,
&end
#
# 28 PHE QE 29 LYS HB2 5.50 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat= -1, 401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 387, 391,
&end
#
# 28 PHE HA 28 PHE QD 3.75 (#SUP 5.42)
&rst
ixpk= 5, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 385, 393,
&end
#
# 27 PHE HB2 28 PHE QD 3.99 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 385, 393,
&end
#
# 28 PHE QD 87 ILE QD1 4.36 (#SUP 1.80)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 385, 393,
igr2=1310,1311,1312,
&end
#
# 28 PHE HA 77 PHE QD 4.25 (#SUP 1.85)
&rst
ixpk= 1, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1151,1159,
&end
#
# 28 PHE H 28 PHE QE 5.50 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 387, 391,
&end
#
# 28 PHE QD 89 VAL QG2 5.50 (#SUP 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 385, 393,
igr2=1348,1349,1350,
&end
#
# 24 VAL HA 82 PHE QE 3.98 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1229,1233,
&end
#
# 27 PHE HB2 82 PHE QE 4.19 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1229,1233,
&end
#
# 27 PHE HB3 82 PHE QE 4.37 (#SUP 2.15)
&rst
ixpk= 2, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1229,1233,
&end
#
# 19 VAL QG1 82 PHE QE 3.89 (#SUP 5.78)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 255, 256, 257,
igr2=1229,1233,
&end
#
# 24 VAL QG2 27 PHE QD 3.45 (#SUP 1.81)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 329, 330, 331,
igr2= 365, 373,
&end
#
# 27 PHE QD 87 ILE QD1 3.39 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 365, 373,
igr2=1310,1311,1312,
&end
#
# 19 VAL HA 82 PHE QE 4.22 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1229,1233,
&end
#
# 72 ALA H 91 PHE HZ 5.50 (#SUP 2.98)
&rst
ixpk= 2, nxpk= 0, iat=1068,1377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 71 LYS HA 91 PHE HZ 4.25 (#SUP 5.55)
&rst
ixpk= 5, nxpk= 0, iat=1048,1377, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 71 LYS HB2 91 PHE HZ 4.08 (#SUP 3.47)
&rst
ixpk= 3, nxpk= 0, iat=1050,1377, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 71 LYS HB3 91 PHE HZ 4.84 (#SUP 3.47)
&rst
ixpk= 3, nxpk= 0, iat=1051,1377, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 71 LYS QD 91 PHE HZ 5.21 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1056,1057,
&end
#
# 74 ILE QG2 91 PHE HZ 5.50 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1094,1095,1096,
&end
#
# 74 ILE QD1 91 PHE HZ 4.48 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat= -1,1377, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1101,1102,1103,
&end
#
# 31 ILE QD1 77 PHE HZ 5.05 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 449, 450, 451,
&end
#
# 27 PHE QE 77 PHE HZ 4.64 (#SUP 2.78)
&rst
ixpk= 2, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 367, 371,
&end
#
# 73 ALA HA 77 PHE HZ 5.50 (#SUP 1.86)
&rst
ixpk= 1, nxpk= 0, iat=1080,1155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HB3 77 PHE HZ 4.64 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 382,1155, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 82 PHE HZ 83 HIS HD2 4.94 (#SUP 5.14)
&rst
ixpk= 5, nxpk= 0, iat=1231,1253, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 24 VAL H 82 PHE HZ 5.50 (#SUP 3.79)
&rst
ixpk= 3, nxpk= 0, iat= 319,1231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 SER H 82 PHE HZ 5.23 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 265,1231, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 19 VAL HA 82 PHE HZ 5.37 (#SUP 3.98)
&rst
ixpk= 3, nxpk= 0, iat= 251,1231, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 24 VAL HA 82 PHE HZ 4.39 (#SUP 3.51)
&rst
ixpk= 3, nxpk= 0, iat= 321,1231, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 19 VAL QG1 82 PHE HZ 3.90 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 255, 256, 257,
&end
#
# 24 VAL QG1 82 PHE HZ 3.82 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 325, 326, 327,
&end
#
# 27 PHE HB2 82 PHE HZ 5.50 (#SUP 1.47)
&rst
ixpk= 1, nxpk= 0, iat= 361,1231, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ALA HA 76 TRP HH2 4.65 (#SUP 2.64)
&rst
ixpk= 2, nxpk= 0, iat=1070,1134, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 72 ALA QB 76 TRP HH2 4.29 (#SUP 2.44)
&rst
ixpk= 2, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1=1072,1073,1074,
&end
#
# 31 ILE QG2 76 TRP HH2 5.08 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 442, 443, 444,
&end
#
# 31 ILE HB 76 TRP HH2 5.46 (#SUP 3.33)
&rst
ixpk= 3, nxpk= 0, iat= 440,1134, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 76 TRP HB2 76 TRP HZ3 5.50 (#SUP 2.90)
&rst
ixpk= 2, nxpk= 0, iat=1123,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP H 76 TRP HE3 4.98 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat=1107,1138, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 3 HIS HA 3 HIS HD2 4.96 (#SUP 2.63)
&rst
ixpk= 2, nxpk= 0, iat= 24, 36, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 48 TYR QE 61 THR H 3.82 (#SUP 8.26)
&rst
ixpk= 8, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 730, 735,
&end
#
# 48 TYR H 48 TYR QE 4.51 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 730, 735,
&end
#
# 48 TYR QE 60 ALA HA 4.05 (#SUP 7.58)
&rst
ixpk= 7, nxpk= 0, iat= -1, 904, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 730, 735,
&end
#
# 48 TYR QE 61 THR QG2 3.38 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 730, 735,
igr2= 918, 919, 920,
&end
#
# 48 TYR QE 60 ALA QB 4.77 (#SUP 8.49)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 730, 735,
igr2= 906, 907, 908,
&end
#
# 83 HIS HD2 84 GLY H 5.50 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat=1253,1257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR QE 61 THR HB 5.50 (#SUP 2.41)
&rst
ixpk= 2, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 730, 735,
&end
#
# 47 LEU QQD 48 TYR QE 5.50 (#SUP 3.58)
&rst
ixpk= 3, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 8.37, r4= 8.87,
igr2= 730, 735,
&end
#
# 83 HIS H 83 HIS HD2 3.59 (#SUP 9.21)
&rst
ixpk= 9, nxpk= 0, iat=1239,1253, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 82 PHE QE 83 HIS HD2 3.86 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1229,1233,
&end
#
# 82 PHE QD 83 HIS HD2 4.03 (#SUP 8.88)
&rst
ixpk= 8, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1227,1235,
&end
#
# 82 PHE HA 83 HIS HD2 4.60 (#SUP 6.85)
&rst
ixpk= 6, nxpk= 0, iat=1221,1253, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 83 HIS HA 83 HIS HD2 3.85 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat=1241,1253, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 82 PHE HB3 83 HIS HD2 5.50 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat=1224,1253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 ASP HB3 76 TRP HZ2 5.08 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat=1112,1132, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 93 THR QG2 94 ARG HA 4.64 (#SUP 3.55)
&rst
ixpk= 3, nxpk= 0, iat= -1,1411, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1401,1402,1403,
&end
#
# 7 ASN H 94 ARG HA 3.44 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 80,1411, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 93 THR HB 94 ARG HA 3.89 (#SUP 2.97)
&rst
ixpk= 2, nxpk= 0, iat=1399,1411, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 94 ARG HA 94 ARG QD 4.33 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1419,1420,
&end
#
# 94 ARG HA 94 ARG QG 3.65 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat=1411, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1416,1417,
&end
#
# 31 ILE QD1 76 TRP HB3 4.74 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat= -1,1124, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 449, 450, 451,
&end
#
# 76 TRP HB3 77 PHE H 4.11 (#SUP 6.66)
&rst
ixpk= 6, nxpk= 0, iat=1124,1143, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 73 ALA HA 77 PHE QB 4.29 (#SUP 3.38)
&rst
ixpk= 3, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1147,1148,
&end
#
# 20 SER HA 23 GLN HG2 4.51 (#SUP 2.09)
&rst
ixpk= 2, nxpk= 0, iat= 267, 309, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 31 ILE QG2 73 ALA HA 4.60 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 442, 443, 444,
&end
#
# 73 ALA HA 76 TRP HE3 4.07 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat=1080,1138, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 73 ALA HA 76 TRP HB2 5.05 (#SUP 2.20)
&rst
ixpk= 2, nxpk= 0, iat=1080,1123, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 72 ALA QB 73 ALA HA 4.65 (#SUP 3.95)
&rst
ixpk= 3, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1=1072,1073,1074,
&end
#
# 31 ILE QD1 73 ALA HA 4.35 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat= -1,1080, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 449, 450, 451,
&end
#
# 16 GLY HA3 17 GLU QB 4.51 (#SUP 3.64)
&rst
ixpk= 3, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 231, 232,
&end
#
# 30 GLN HB3 30 GLN HE22 4.89 (#SUP 4.71)
&rst
ixpk= 4, nxpk= 0, iat= 424, 432, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 29 LYS QD 34 ILE QG1 4.02 (#SUP 0.41)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 407, 408,
igr2= 491, 492,
&end
#
# 25 GLY H 26 GLU HB3 5.50 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HA 11 PHE QE 4.29 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 151, 155,
&end
#
# 11 PHE HA 60 ALA H 5.22 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat= 143, 902, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 71 LYS HB3 72 ALA HA 5.20 (#SUP 3.46)
&rst
ixpk= 3, nxpk= 0, iat=1051,1070, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 10 ILE QG2 70 ALA HA 4.16 (#SUP 3.41)
&rst
ixpk= 3, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 128, 129, 130,
&end
#
# 10 ILE QD1 70 ALA HA 5.10 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= -1,1038, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 135, 136, 137,
&end
#
# 26 GLU HB2 27 PHE HA 4.73 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat= 346, 359, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 26 GLU H 26 GLU HB3 3.46 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 26 GLU HB3 27 PHE H 4.56 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 35 LYS QD 36 THR H 5.50 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 35 LYS QD 65 ASP HA 4.87 (#SUP 3.19)
&rst
ixpk= 3, nxpk= 0, iat= -1, 975, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 510, 511,
&end
#
# 35 LYS HA 35 LYS QD 4.12 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 510, 511,
&end
#
# 71 LYS QG 72 ALA HA 5.02 (#SUP 4.02)
&rst
ixpk= 4, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1053,1054,
&end
#
# 72 ALA HA 76 TRP H 4.94 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat=1070,1119, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 72 ALA HA 74 ILE H 4.93 (#SUP 5.64)
&rst
ixpk= 5, nxpk= 0, iat=1070,1088, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 72 ALA HA 75 ASP HB2 3.65 (#SUP 2.81)
&rst
ixpk= 2, nxpk= 0, iat=1070,1111, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 72 ALA HA 75 ASP HB3 3.85 (#SUP 2.29)
&rst
ixpk= 2, nxpk= 0, iat=1070,1112, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 28 PHE HA 31 ILE HG12 5.50 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat= 379, 446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HA 31 ILE HG13 5.50 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat= 379, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN H 31 ILE HG13 5.50 (#SUP 7.09)
&rst
ixpk= 7, nxpk= 0, iat= 419, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE QG1 89 VAL QG1 5.09 (#SUP 8.62)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1098,1099,
igr2=1344,1345,1346,
&end
#
# 80 LYS HA 86 ILE QG2 5.50 (#SUP 3.46)
&rst
ixpk= 3, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1284,1285,1286,
&end
#
# 51 LYS HA 51 LYS QD 4.43 (#SUP 4.89)
&rst
ixpk= 4, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 777, 778,
&end
#
# 49 THR HA 57 LYS QD 4.90 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 868, 869,
&end
#
# 30 GLN HG3 31 ILE HG13 5.50 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat= 427, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS QD 55 LYS H 5.50 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 777, 778,
&end
#
# 71 LYS HB3 71 LYS QD 3.58 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1056,1057,
&end
#
# 71 LYS QG 71 LYS QD 2.45 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr1=1053,1054,
igr2=1056,1057,
&end
#
# 38 LYS QG 38 LYS QD 2.50 (#SUP 3.84)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 557, 558,
igr2= 560, 561,
&end
#
# 88 LYS H 88 LYS QD 4.83 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1326,1327,
&end
#
# 48 TYR HB2 57 LYS QD 4.44 (#SUP 3.43)
&rst
ixpk= 3, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 868, 869,
&end
#
# 56 PRO HA 57 LYS QD 4.69 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 868, 869,
&end
#
# 78 ASP HA 88 LYS HA 4.54 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat=1165,1318, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 88 LYS HA 89 VAL HB 5.42 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat=1318,1342, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 12 VAL QG1 13 GLN HA 3.63 (#SUP 3.50)
&rst
ixpk= 3, nxpk= 0, iat= -1, 179, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 167, 168, 169,
&end
#
# 71 LYS HA 71 LYS QD 5.00 (#SUP 4.13)
&rst
ixpk= 4, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1056,1057,
&end
#
# 37 ASN HB2 39 LYS QD 4.99 (#SUP 1.83)
&rst
ixpk= 1, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2= 582, 583,
&end
#
# 49 THR HB 51 LYS QD 5.06 (#SUP 1.09)
&rst
ixpk= 1, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 777, 778,
&end
#
# 39 LYS QD 40 THR HB 4.79 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 582, 583,
&end
#
# 33 ILE HA 34 ILE QG1 5.50 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 491, 492,
&end
#
# 88 LYS HA 89 VAL HA 4.86 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat=1318,1340, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 6 ASP HA 95 ARG H 3.59 (#SUP 2.09)
&rst
ixpk= 2, nxpk= 0, iat= 70,1433, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 7 ASN HA 7 ASN HD21 4.80 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= 82, 89, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 5 SER HA 67 PRO HG3 5.07 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= 59,1002, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 37 ASN HA 38 LYS H 3.02 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat= 538, 550, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 36 THR QG2 37 ASN HA 5.50 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 528, 529, 530,
&end
#
# 51 LYS QD 56 PRO HG3 4.39 (#SUP 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 777, 778,
&end
#
# 80 LYS QD 81 GLU H 5.49 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1=1192,1193,
&end
#
# 80 LYS HA 80 LYS QD 4.43 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1192,1193,
&end
#
# 12 VAL H 59 GLU HA 5.38 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat= 161, 889, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 13 GLN H 59 GLU HA 4.91 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat= 177, 889, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 14 GLY H 59 GLU HA 4.61 (#SUP 4.11)
&rst
ixpk= 4, nxpk= 0, iat= 194, 889, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 59 GLU HA 59 GLU QG 3.98 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 894, 895,
&end
#
# 12 VAL QG1 59 GLU HA 5.50 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat= -1, 889, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 167, 168, 169,
&end
#
# 13 GLN HE22 59 GLU HA 5.10 (#SUP 2.18)
&rst
ixpk= 2, nxpk= 0, iat= 190, 889, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 42 LYS QB 43 PRO QG 3.62 (#SUP 3.66)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 619, 620,
igr2= 641, 642,
&end
#
# 44 MET HB2 45 ILE QG1 5.50 (#SUP 3.60)
&rst
ixpk= 3, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 678, 679,
&end
#
# 45 ILE QG1 46 ASN H 5.50 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 678, 679,
&end
#
# 43 PRO QG 45 ILE QG1 4.02 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 641, 642,
igr2= 678, 679,
&end
#
# 43 PRO QG 44 MET H 5.28 (#SUP 7.96)
&rst
ixpk= 7, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 641, 642,
&end
#
# 86 ILE QG2 86 ILE HG12 3.93 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat= -1,1288, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1284,1285,1286,
&end
#
# 45 ILE QG1 62 VAL QG1 5.04 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 678, 679,
igr2= 932, 933, 934,
&end
#
# 43 PRO QG 45 ILE HB 4.18 (#SUP 3.45)
&rst
ixpk= 3, nxpk= 0, iat= -1, 672, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 641, 642,
&end
#
# 11 PHE QE 92 ALA HA 5.13 (#SUP 3.36)
&rst
ixpk= 3, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 151, 155,
&end
#
# 11 PHE HB3 92 ALA HA 3.65 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= 146,1387, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 9 THR QG2 92 ALA HA 4.70 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1387, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 114, 115, 116,
&end
#
# 82 PHE QD 83 HIS HB2 5.32 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1227,1235,
&end
#
# 82 PHE QE 83 HIS HB3 5.50 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1229,1233,
&end
#
# 82 PHE QD 83 HIS HB3 5.07 (#SUP 6.40)
&rst
ixpk= 6, nxpk= 0, iat= -1,1244, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1227,1235,
&end
#
# 6 ASP HA 94 ARG QG 4.94 (#SUP 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1416,1417,
&end
#
# 10 ILE QG1 62 VAL HB 3.78 (#SUP 2.31)
&rst
ixpk= 2, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 132, 133,
&end
#
# 85 ASN HA 86 ILE HB 4.76 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat=1266,1282, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 85 ASN HA 86 ILE HG12 4.20 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=1266,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 80 LYS QG 86 ILE QD1 5.25 (#SUP 1.66)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1=1189,1190,
igr2=1291,1292,1293,
&end
#
# 10 ILE QG1 62 VAL H 5.12 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 132, 133,
&end
#
# 66 ASP HB2 67 PRO HD3 5.44 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 989, 999, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 80 LYS QG 81 GLU HA 4.80 (#SUP 2.98)
&rst
ixpk= 2, nxpk= 0, iat= -1,1206, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1189,1190,
&end
#
# 67 PRO HD2 68 PRO HD3 5.05 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat= 998,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 67 PRO HD3 68 PRO HD3 4.32 (#SUP 8.42)
&rst
ixpk= 8, nxpk= 0, iat= 999,1013, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 55 LYS H 56 PRO HD2 5.50 (#SUP 1.82)
&rst
ixpk= 1, nxpk= 0, iat= 822, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 THR QG2 56 PRO HD2 5.50 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 747, 748, 749,
&end
#
# 55 LYS H 56 PRO HD3 5.50 (#SUP 1.72)
&rst
ixpk= 1, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS QD 56 PRO HD3 4.52 (#SUP 2.95)
&rst
ixpk= 2, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 777, 778,
&end
#
# 47 LEU QQD 60 ALA HA 5.10 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= 707, 904, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80, &end
#
# 60 ALA HA 62 VAL QG1 5.26 (#SUP 2.85)
&rst
ixpk= 2, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 932, 933, 934,
&end
#
# 66 ASP HA 67 PRO HD2 3.45 (#SUP 7.32)
&rst
ixpk= 7, nxpk= 0, iat= 987, 998, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 66 ASP HA 67 PRO HD3 3.64 (#SUP 8.18)
&rst
ixpk= 8, nxpk= 0, iat= 987, 999, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 66 ASP HA 68 PRO HD2 4.71 (#SUP 5.15)
&rst
ixpk= 5, nxpk= 0, iat= 987,1012, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 66 ASP HA 68 PRO HD3 4.76 (#SUP 9.71)
&rst
ixpk= 9, nxpk= 0, iat= 987,1013, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 66 ASP HA 67 PRO HG2 5.08 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= 987,1001, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 66 ASP HA 67 PRO HG3 4.78 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= 987,1002, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 36 THR QG2 43 PRO HD2 5.50 (#SUP 3.47)
&rst
ixpk= 3, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 528, 529, 530,
&end
#
# 42 LYS QB 43 PRO HD2 4.78 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat= -1, 638, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 619, 620,
&end
#
# 7 ASN H 96 PRO HD2 5.19 (#SUP 1.04)
&rst
ixpk= 1, nxpk= 0, iat= 80,1458, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 95 ARG H 96 PRO HD2 5.44 (#SUP 2.28)
&rst
ixpk= 2, nxpk= 0, iat=1433,1458, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 42 LYS H 43 PRO HD3 5.50 (#SUP 3.76)
&rst
ixpk= 3, nxpk= 0, iat= 615, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LYS QB 43 PRO HD3 4.36 (#SUP 4.30)
&rst
ixpk= 4, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 619, 620,
&end
#
# 36 THR QG2 43 PRO HD3 5.50 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 528, 529, 530,
&end
#
# 95 ARG H 96 PRO HD3 5.18 (#SUP 2.28)
&rst
ixpk= 2, nxpk= 0, iat=1433,1459, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 66 ASP HB3 68 PRO HD3 4.95 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat= 990,1013, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 67 PRO HG2 68 PRO HD3 5.07 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat=1001,1013, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 35 LYS QG 65 ASP HB3 5.38 (#SUP 1.01)
&rst
ixpk= 1, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 507, 508,
&end
#
# 39 LYS HG2 39 LYS QD 3.00 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 582, 583,
&end
#
# 39 LYS HG2 40 THR QG2 4.11 (#SUP 7.51)
&rst
ixpk= 7, nxpk= 0, iat= 579, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 600, 601, 602,
&end
#
# 38 LYS QG 39 LYS H 4.99 (#SUP 6.24)
&rst
ixpk= 6, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1= 557, 558,
&end
#
# 71 LYS H 71 LYS QG 4.69 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1053,1054,
&end
#
# 71 LYS QG 72 ALA H 5.15 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1=1053,1054,
&end
#
# 71 LYS QG 74 ILE QD1 5.50 (#SUP 3.14)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1053,1054,
igr2=1101,1102,1103,
&end
#
# 38 LYS H 38 LYS QG 4.67 (#SUP 5.57)
&rst
ixpk= 5, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 557, 558,
&end
#
# 57 LYS H 57 LYS QG 4.31 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 865, 866,
&end
#
# 57 LYS QG 58 GLY H 5.11 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 865, 866,
&end
#
# 39 LYS H 39 LYS HG3 4.15 (#SUP 6.70)
&rst
ixpk= 6, nxpk= 0, iat= 572, 580, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 39 LYS HG3 40 THR HA 4.32 (#SUP 3.06)
&rst
ixpk= 3, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 51 LYS QG 51 LYS QE 4.00 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 774, 775,
igr2= 780, 781,
&end
#
# 49 THR HB 51 LYS QG 5.50 (#SUP 2.29)
&rst
ixpk= 2, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 774, 775,
&end
#
# 13 GLN HA 87 ILE QG1 4.42 (#SUP 0.02)
&rst
ixpk= 0, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1307,1308,
&end
#
# 51 LYS QG 56 PRO HD3 5.47 (#SUP 1.94)
&rst
ixpk= 1, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 774, 775,
&end
#
# 51 LYS QG 51 LYS QD 2.69 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr1= 774, 775,
igr2= 777, 778,
&end
#
# 87 ILE H 87 ILE QG1 4.51 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2=1307,1308,
&end
#
# 88 LYS H 88 LYS QG 5.50 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1323,1324,
&end
#
# 51 LYS QG 52 ASP H 5.04 (#SUP 6.80)
&rst
ixpk= 6, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 774, 775,
&end
#
# 86 ILE QG2 88 LYS QG 5.50 (#SUP 1.08)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1284,1285,1286,
igr2=1323,1324,
&end
#
# 89 VAL H 89 VAL QG1 4.65 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2=1344,1345,1346,
&end
#
# 77 PHE H 89 VAL QG1 5.50 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1344,1345,1346,
&end
#
# 77 PHE QD 89 VAL QG1 4.90 (#SUP 2.75)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1151,1159,
igr2=1344,1345,1346,
&end
#
# 89 VAL HA 89 VAL QG1 4.05 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1344,1345,1346,
&end
#
# 74 ILE HA 89 VAL QG1 3.90 (#SUP 8.13)
&rst
ixpk= 8, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1344,1345,1346,
&end
#
# 73 ALA QB 89 VAL QG1 4.77 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr1=1082,1083,1084,
igr2=1344,1345,1346,
&end
#
# 87 ILE QG1 89 VAL QG1 5.17 (#SUP 2.40)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
igr1=1307,1308,
igr2=1344,1345,1346,
&end
#
# 10 ILE QG1 89 VAL QG1 4.42 (#SUP 2.54)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 132, 133,
igr2=1344,1345,1346,
&end
#
# 23 GLN QB 24 VAL QG1 5.50 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 306, 307,
igr2= 325, 326, 327,
&end
#
# 60 ALA QB 62 VAL HA 5.50 (#SUP 3.29)
&rst
ixpk= 3, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 906, 907, 908,
&end
#
# 12 VAL QG2 89 VAL QG1 4.16 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 171, 172, 173,
igr2=1344,1345,1346,
&end
#
# 24 VAL QG1 25 GLY H 4.73 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 325, 326, 327,
&end
#
# 24 VAL QG1 27 PHE H 5.50 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 325, 326, 327,
&end
#
# 24 VAL QG1 27 PHE QD 5.50 (#SUP 1.54)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 325, 326, 327,
igr2= 365, 373,
&end
#
# 24 VAL QG1 82 PHE QE 5.28 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 325, 326, 327,
igr2=1229,1233,
&end
#
# 46 ASN HA 60 ALA QB 5.48 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 906, 907, 908,
&end
#
# 47 LEU QQD 60 ALA QB 3.65 (#SUP 8.98)
&rst
ixpk= 8, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2= 906, 907, 908,
&end
#
# 12 VAL H 60 ALA QB 5.29 (#SUP 7.89)
&rst
ixpk= 7, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr2= 906, 907, 908,
&end
#
# 60 ALA H 60 ALA QB 3.99 (#SUP 4.99)
&rst
ixpk= 4, nxpk= 0, iat= 902, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 906, 907, 908,
&end
#
# 60 ALA QB 61 THR H 3.61 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 906, 907, 908,
&end
#
# 48 TYR H 60 ALA QB 4.65 (#SUP 9.05)
&rst
ixpk= 9, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 906, 907, 908,
&end
#
# 59 GLU HA 60 ALA QB 4.53 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat= 889, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 906, 907, 908,
&end
#
# 47 LEU HA 60 ALA QB 3.81 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 906, 907, 908,
&end
#
# 60 ALA QB 62 VAL QG1 3.59 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 906, 907, 908,
igr2= 932, 933, 934,
&end
#
# 15 LEU QQD 60 ALA QB 5.48 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 8.78, r4= 9.28,
igr2= 906, 907, 908,
&end
#
# 19 VAL HA 24 VAL QG1 5.50 (#SUP 3.76)
&rst
ixpk= 3, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 325, 326, 327,
&end
#
# 15 LEU QB 19 VAL QG1 5.50 (#SUP 2.03)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 205, 206,
igr2= 255, 256, 257,
&end
#
# 15 LEU HA 19 VAL QG1 4.87 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 255, 256, 257,
&end
#
# 19 VAL QG1 24 VAL H 5.50 (#SUP 2.10)
&rst
ixpk= 2, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 255, 256, 257,
&end
#
# 19 VAL H 19 VAL QG1 4.14 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 255, 256, 257,
&end
#
# 19 VAL HA 19 VAL QG1 3.78 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 255, 256, 257,
&end
#
# 19 VAL QG1 23 GLN HG2 4.84 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= -1, 309, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 255, 256, 257,
&end
#
# 19 VAL QG1 24 VAL QG1 3.10 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 255, 256, 257,
igr2= 325, 326, 327,
&end
#
# 19 VAL QG1 82 PHE QD 5.50 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 255, 256, 257,
igr2=1227,1235,
&end
#
# 15 LEU HG 19 VAL QG1 5.50 (#SUP 2.03)
&rst
ixpk= 2, nxpk= 0, iat= 208, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 255, 256, 257,
&end
#
# 25 GLY HA2 28 PHE H 5.50 (#SUP 1.42)
&rst
ixpk= 1, nxpk= 0, iat= 337, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 GLY HA2 45 ILE QD1 4.17 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 681, 682, 683,
&end
#
# 25 GLY HA2 34 ILE QD1 4.31 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 494, 495, 496,
&end
#
# 24 VAL H 25 GLY HA2 5.50 (#SUP 3.55)
&rst
ixpk= 3, nxpk= 0, iat= 319, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 VAL H 25 GLY HA3 5.34 (#SUP 3.55)
&rst
ixpk= 3, nxpk= 0, iat= 319, 338, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 25 GLY HA3 45 ILE QD1 4.38 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 681, 682, 683,
&end
#
# 21 THR H 21 THR QG2 3.84 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 282, 283, 284,
&end
#
# 21 THR QG2 22 ASP H 4.88 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat= -1, 290, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 282, 283, 284,
&end
#
# 21 THR QG2 24 VAL H 5.50 (#SUP 1.97)
&rst
ixpk= 1, nxpk= 0, iat= -1, 319, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 282, 283, 284,
&end
#
# 21 THR QG2 22 ASP HA 4.75 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 282, 283, 284,
&end
#
# 21 THR QG2 22 ASP HB2 5.50 (#SUP 4.15)
&rst
ixpk= 4, nxpk= 0, iat= -1, 294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 282, 283, 284,
&end
#
# 24 VAL H 24 VAL QG2 5.02 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2= 329, 330, 331,
&end
#
# 24 VAL QG2 82 PHE QE 5.50 (#SUP 3.14)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 329, 330, 331,
igr2=1229,1233,
&end
#
# 24 VAL QG2 25 GLY H 4.71 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 329, 330, 331,
&end
#
# 24 VAL QG2 28 PHE H 5.50 (#SUP 2.45)
&rst
ixpk= 2, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 329, 330, 331,
&end
#
# 24 VAL HA 24 VAL QG2 3.94 (#SUP 4.12)
&rst
ixpk= 4, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 329, 330, 331,
&end
#
# 24 VAL QG2 62 VAL QG1 3.98 (#SUP 2.62)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 329, 330, 331,
igr2= 932, 933, 934,
&end
#
# 24 VAL QG2 62 VAL QG2 5.46 (#SUP 1.84)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
igr1= 329, 330, 331,
igr2= 936, 937, 938,
&end
#
# 60 ALA HA 61 THR QG2 4.88 (#SUP 3.10)
&rst
ixpk= 3, nxpk= 0, iat= 904, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 918, 919, 920,
&end
#
# 61 THR HA 61 THR QG2 3.63 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 918, 919, 920,
&end
#
# 11 PHE HA 61 THR QG2 3.95 (#SUP 8.71)
&rst
ixpk= 8, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 918, 919, 920,
&end
#
# 12 VAL H 61 THR QG2 4.63 (#SUP 9.65)
&rst
ixpk= 9, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 918, 919, 920,
&end
#
# 61 THR H 61 THR QG2 4.31 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 918, 919, 920,
&end
#
# 61 THR QG2 62 VAL H 4.28 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 918, 919, 920,
&end
#
# 46 ASN HD21 61 THR QG2 4.44 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 918, 919, 920,
&end
#
# 11 PHE HB2 61 THR QG2 5.40 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2= 918, 919, 920,
&end
#
# 11 PHE HB3 61 THR QG2 4.73 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 918, 919, 920,
&end
#
# 9 THR QG2 61 THR QG2 3.97 (#SUP 3.69)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 114, 115, 116,
igr2= 918, 919, 920,
&end
#
# 78 ASP HB2 89 VAL QG2 5.50 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat=1167, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1348,1349,1350,
&end
#
# 73 ALA QB 89 VAL QG2 5.32 (#SUP 2.21)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
igr1=1082,1083,1084,
igr2=1348,1349,1350,
&end
#
# 79 GLY H 89 VAL QG2 4.55 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2=1348,1349,1350,
&end
#
# 77 PHE H 89 VAL QG2 5.03 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1348,1349,1350,
&end
#
# 77 PHE QE 89 VAL QG2 5.50 (#SUP 2.43)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1153,1157,
igr2=1348,1349,1350,
&end
#
# 77 PHE QD 89 VAL QG2 4.26 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1=1151,1159,
igr2=1348,1349,1350,
&end
#
# 88 LYS HA 89 VAL QG2 4.98 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1348,1349,1350,
&end
#
# 89 VAL HA 89 VAL QG2 3.98 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat=1340, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1348,1349,1350,
&end
#
# 78 ASP HA 89 VAL QG2 4.14 (#SUP 8.17)
&rst
ixpk= 8, nxpk= 0, iat=1165, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2=1348,1349,1350,
&end
#
# 77 PHE QB 89 VAL QG2 3.88 (#SUP 2.83)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1=1147,1148,
igr2=1348,1349,1350,
&end
#
# 10 ILE HB 89 VAL QG2 4.67 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2=1348,1349,1350,
&end
#
# 87 ILE QG1 89 VAL QG2 5.34 (#SUP 3.01)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1=1307,1308,
igr2=1348,1349,1350,
&end
#
# 87 ILE QD1 89 VAL QG2 3.84 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1310,1311,1312,
igr2=1348,1349,1350,
&end
#
# 10 ILE QD1 89 VAL QG2 5.50 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 135, 136, 137,
igr2=1348,1349,1350,
&end
#
# 74 ILE QG1 89 VAL QG2 5.50 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1098,1099,
igr2=1348,1349,1350,
&end
#
# 11 PHE HA 12 VAL QG1 5.50 (#SUP 4.73)
&rst
ixpk= 4, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 167, 168, 169,
&end
#
# 12 VAL QG1 87 ILE HA 5.50 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 167, 168, 169,
&end
#
# 10 ILE QD1 12 VAL QG1 5.50 (#SUP 3.04)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 135, 136, 137,
igr2= 167, 168, 169,
&end
#
# 49 THR HB 56 PRO HA 4.21 (#SUP 5.43)
&rst
ixpk= 5, nxpk= 0, iat= 745, 854, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 49 THR HB 50 ASP H 3.78 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat= 745, 755, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 12 VAL HA 12 VAL QG1 4.07 (#SUP 4.77)
&rst
ixpk= 4, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 167, 168, 169,
&end
#
# 12 VAL QG1 62 VAL QG1 4.48 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 167, 168, 169,
igr2= 932, 933, 934,
&end
#
# 12 VAL QG1 88 LYS H 5.32 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 167, 168, 169,
&end
#
# 46 ASN HD21 61 THR HB 4.90 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 696, 916, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 11 PHE HA 61 THR HB 5.50 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 143, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 THR HB 57 LYS QD 5.50 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat= 745, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 868, 869,
&end
#
# 49 THR QG2 57 LYS QD 5.25 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
igr1= 747, 748, 749,
igr2= 868, 869,
&end
#
# 47 LEU HG 49 THR QG2 4.83 (#SUP 1.32)
&rst
ixpk= 1, nxpk= 0, iat= 708, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 747, 748, 749,
&end
#
# 12 VAL QG2 27 PHE QE 5.50 (#SUP 1.11)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 171, 172, 173,
igr2= 367, 371,
&end
#
# 10 ILE QG1 12 VAL QG2 4.38 (#SUP 3.15)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 132, 133,
igr2= 171, 172, 173,
&end
#
# 12 VAL QG2 60 ALA H 4.84 (#SUP 7.73)
&rst
ixpk= 7, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 171, 172, 173,
&end
#
# 12 VAL QG2 13 GLN H 4.58 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 171, 172, 173,
&end
#
# 12 VAL QG2 88 LYS H 5.50 (#SUP 6.47)
&rst
ixpk= 6, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 12 VAL QG2 62 VAL H 5.50 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 11 PHE HA 12 VAL QG2 5.08 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr2= 171, 172, 173,
&end
#
# 12 VAL HA 12 VAL QG2 4.06 (#SUP 5.07)
&rst
ixpk= 5, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 171, 172, 173,
&end
#
# 10 ILE HB 12 VAL QG2 4.62 (#SUP 3.45)
&rst
ixpk= 3, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2= 171, 172, 173,
&end
#
# 12 VAL QG2 89 VAL QG2 4.38 (#SUP 5.85)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 171, 172, 173,
igr2=1348,1349,1350,
&end
#
# 12 VAL QG2 60 ALA QB 3.98 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 171, 172, 173,
igr2= 906, 907, 908,
&end
#
# 12 VAL QG2 62 VAL QG1 4.31 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 171, 172, 173,
igr2= 932, 933, 934,
&end
#
# 9 THR HB 10 ILE H 5.05 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= 112, 122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 93 THR H 93 THR QG2 3.90 (#SUP 3.72)
&rst
ixpk= 3, nxpk= 0, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1401,1402,1403,
&end
#
# 93 THR HA 93 THR QG2 3.52 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1401,1402,1403,
&end
#
# 49 THR H 49 THR QG2 4.14 (#SUP 6.49)
&rst
ixpk= 6, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 747, 748, 749,
&end
#
# 49 THR QG2 58 GLY H 4.01 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 747, 748, 749,
&end
#
# 49 THR QG2 57 LYS H 4.19 (#SUP 9.25)
&rst
ixpk= 9, nxpk= 0, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 747, 748, 749,
&end
#
# 48 TYR H 49 THR QG2 5.50 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 747, 748, 749,
&end
#
# 49 THR QG2 59 GLU H 5.50 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 747, 748, 749,
&end
#
# 49 THR HA 49 THR QG2 3.52 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 747, 748, 749,
&end
#
# 49 THR QG2 56 PRO HA 3.59 (#SUP 8.08)
&rst
ixpk= 8, nxpk= 0, iat= -1, 854, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 747, 748, 749,
&end
#
# 49 THR QG2 58 GLY HA2 5.00 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= -1, 882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 747, 748, 749,
&end
#
# 48 TYR HB2 49 THR QG2 5.50 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 747, 748, 749,
&end
#
# 49 THR QG2 56 PRO HG3 4.44 (#SUP 2.44)
&rst
ixpk= 2, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 747, 748, 749,
&end
#
# 15 LEU QQD 49 THR QG2 5.31 (#SUP 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr2= 747, 748, 749,
&end
#
# 39 LYS QE 40 THR HB 4.81 (#SUP 3.83)
&rst
ixpk= 3, nxpk= 0, iat= -1, 598, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 585, 586,
&end
#
# 9 THR QG2 92 ALA QB 2.81 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 114, 115, 116,
igr2=1389,1390,1391,
&end
#
# 7 ASN HB3 93 THR QG2 5.50 (#SUP 2.13)
&rst
ixpk= 2, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1401,1402,1403,
&end
#
# 9 THR QG2 10 ILE QG2 5.27 (#SUP 4.82)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
igr1= 114, 115, 116,
igr2= 128, 129, 130,
&end
#
# 36 THR QG2 44 MET H 4.65 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 528, 529, 530,
&end
#
# 36 THR H 36 THR QG2 4.09 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 528, 529, 530,
&end
#
# 36 THR QG2 43 PRO HA 4.16 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 528, 529, 530,
&end
#
# 36 THR HA 36 THR QG2 3.68 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 528, 529, 530,
&end
#
# 36 THR QG2 41 GLY HA2 4.36 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 528, 529, 530,
&end
#
# 36 THR QG2 38 LYS HA 4.32 (#SUP 1.72)
&rst
ixpk= 1, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 528, 529, 530,
&end
#
# 36 THR QG2 37 ASN HB3 5.09 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= -1, 541, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 528, 529, 530,
&end
#
# 36 THR QG2 37 ASN H 3.80 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat= -1, 536, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 528, 529, 530,
&end
#
# 36 THR QG2 42 LYS H 4.78 (#SUP 8.08)
&rst
ixpk= 8, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 528, 529, 530,
&end
#
# 36 THR QG2 43 PRO QG 4.95 (#SUP 3.59)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 528, 529, 530,
igr2= 641, 642,
&end
#
# 45 ILE HA 62 VAL QG2 5.25 (#SUP 4.43)
&rst
ixpk= 4, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr2= 936, 937, 938,
&end
#
# 62 VAL HA 62 VAL QG2 4.05 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 936, 937, 938,
&end
#
# 34 ILE HA 62 VAL QG2 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 25 GLY HA3 62 VAL QG2 5.50 (#SUP 2.10)
&rst
ixpk= 2, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 40 THR HB 42 LYS H 4.75 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat= 598, 615, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 16 GLY H 58 GLY HA3 4.68 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat= 220, 883, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 15 LEU H 58 GLY HA3 5.13 (#SUP 4.11)
&rst
ixpk= 4, nxpk= 0, iat= 201, 883, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 9 THR HA 9 THR QG2 4.04 (#SUP 4.13)
&rst
ixpk= 4, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 114, 115, 116,
&end
#
# 9 THR QG2 62 VAL QG1 5.50 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 114, 115, 116,
igr2= 932, 933, 934,
&end
#
# 39 LYS QD 40 THR QG2 4.34 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 582, 583,
igr2= 600, 601, 602,
&end
#
# 40 THR H 40 THR QG2 3.58 (#SUP 9.32)
&rst
ixpk= 9, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 600, 601, 602,
&end
#
# 79 GLY HA3 88 LYS HA 5.50 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat=1178,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ASP HA 53 THR QG2 5.50 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 807, 808, 809,
&end
#
# 53 THR H 53 THR QG2 3.46 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 801, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 807, 808, 809,
&end
#
# 53 THR QG2 55 LYS H 5.04 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 807, 808, 809,
&end
#
# 52 ASP HA 53 THR QG2 4.85 (#SUP 6.27)
&rst
ixpk= 6, nxpk= 0, iat= 791, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 807, 808, 809,
&end
#
# 51 LYS HA 53 THR QG2 5.50 (#SUP 6.81)
&rst
ixpk= 6, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 807, 808, 809,
&end
#
# 50 ASP HB2 53 THR QG2 5.50 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 759, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 807, 808, 809,
&end
#
# 52 ASP HB2 53 THR QG2 4.04 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 807, 808, 809,
&end
#
# 52 ASP HB3 53 THR QG2 4.22 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 807, 808, 809,
&end
#
# 39 LYS QE 40 THR QG2 5.50 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 585, 586,
igr2= 600, 601, 602,
&end
#
# 39 LYS QB 40 THR QG2 3.76 (#SUP 8.44)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 576, 577,
igr2= 600, 601, 602,
&end
#
# 78 ASP HA 79 GLY HA2 4.87 (#SUP 2.88)
&rst
ixpk= 2, nxpk= 0, iat=1165,1177, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 15 LEU H 19 VAL QG2 5.50 (#SUP 2.45)
&rst
ixpk= 2, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 259, 260, 261,
&end
#
# 19 VAL QG2 20 SER HA 5.50 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= -1, 267, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 259, 260, 261,
&end
#
# 19 VAL QG2 20 SER H 4.49 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 259, 260, 261,
&end
#
# 19 VAL QG2 82 PHE HZ 5.15 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= -1,1231, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 259, 260, 261,
&end
#
# 19 VAL HA 19 VAL QG2 4.25 (#SUP 5.13)
&rst
ixpk= 5, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 259, 260, 261,
&end
#
# 17 GLU HA 19 VAL QG2 4.82 (#SUP 2.65)
&rst
ixpk= 2, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 259, 260, 261,
&end
#
# 15 LEU HA 19 VAL QG2 4.43 (#SUP 3.44)
&rst
ixpk= 3, nxpk= 0, iat= 203, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 259, 260, 261,
&end
#
# 19 VAL QG2 82 PHE QE 5.08 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 259, 260, 261,
igr2=1229,1233,
&end
#
# 19 VAL QG2 83 HIS HB2 5.50 (#SUP 1.14)
&rst
ixpk= 1, nxpk= 0, iat= -1,1243, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 259, 260, 261,
&end
#
# 15 LEU QQD 19 VAL QG2 4.69 (#SUP 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
igr2= 259, 260, 261,
&end
#
# 41 GLY HA2 42 LYS HA 5.21 (#SUP 2.04)
&rst
ixpk= 2, nxpk= 0, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 46 ASN H 62 VAL QG1 5.20 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 932, 933, 934,
&end
#
# 62 VAL H 62 VAL QG1 4.47 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 932, 933, 934,
&end
#
# 45 ILE HA 62 VAL QG1 4.82 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 932, 933, 934,
&end
#
# 62 VAL HA 62 VAL QG1 4.14 (#SUP 6.98)
&rst
ixpk= 6, nxpk= 0, iat= 928, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 932, 933, 934,
&end
#
# 51 LYS QG 54 GLY HA3 5.50 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= -1, 818, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 774, 775,
&end
#
# 36 THR QG2 41 GLY HA3 4.51 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= -1, 611, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 528, 529, 530,
&end
#
# 25 GLY HA3 62 VAL QG1 5.50 (#SUP 1.80)
&rst
ixpk= 1, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 24 VAL HB 62 VAL QG1 5.50 (#SUP 1.32)
&rst
ixpk= 1, nxpk= 0, iat= 323, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 12 VAL HB 62 VAL QG1 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 13 GLN HA 14 GLY HA2 5.35 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat= 179, 196, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 17 GLU QB 18 GLY HA2 5.50 (#SUP 3.06)
&rst
ixpk= 3, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 231, 232,
&end
#
# 14 GLY HA3 87 ILE QG2 5.50 (#SUP 4.15)
&rst
ixpk= 4, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1303,1304,1305,
&end
#
# 93 THR H 93 THR HB 3.95 (#SUP 3.38)
&rst
ixpk= 3, nxpk= 0, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 32 GLY HA3 64 PHE QE 5.20 (#SUP 1.71)
&rst
ixpk= 1, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 963, 967,
&end
#
# 32 GLY HA2 33 ILE HB 5.38 (#SUP 4.06)
&rst
ixpk= 4, nxpk= 0, iat= 457, 466, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 31 ILE QG2 32 GLY HA3 5.50 (#SUP 4.39)
&rst
ixpk= 4, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 442, 443, 444,
&end
#
# 32 GLY HA3 69 SER HB3 5.11 (#SUP 2.30)
&rst
ixpk= 2, nxpk= 0, iat= 458,1030, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 91 PHE HB2 92 ALA QB 5.50 (#SUP 3.59)
&rst
ixpk= 3, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1389,1390,1391,
&end
#
# 10 ILE H 92 ALA QB 5.15 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr2=1389,1390,1391,
&end
#
# 92 ALA H 92 ALA QB 3.53 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat=1385, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1389,1390,1391,
&end
#
# 7 ASN HD21 92 ALA QB 5.31 (#SUP 3.52)
&rst
ixpk= 3, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2=1389,1390,1391,
&end
#
# 11 PHE QE 92 ALA QB 5.21 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
igr1= 151, 155,
igr2=1389,1390,1391,
&end
#
# 7 ASN HD22 92 ALA QB 5.00 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1389,1390,1391,
&end
#
# 11 PHE HA 92 ALA QB 5.21 (#SUP 3.84)
&rst
ixpk= 3, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr2=1389,1390,1391,
&end
#
# 10 ILE HA 92 ALA QB 4.64 (#SUP 7.54)
&rst
ixpk= 7, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1389,1390,1391,
&end
#
# 9 THR HB 92 ALA QB 3.86 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1389,1390,1391,
&end
#
# 11 PHE HB3 92 ALA QB 3.99 (#SUP 7.45)
&rst
ixpk= 7, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1389,1390,1391,
&end
#
# 61 THR HA 92 ALA QB 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1389,1390,1391,
&end
#
# 10 ILE HB 92 ALA QB 4.95 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1389,1390,1391,
&end
#
# 12 VAL H 92 ALA QB 5.50 (#SUP 2.59)
&rst
ixpk= 2, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1389,1390,1391,
&end
#
# 10 ILE QG2 70 ALA H 5.06 (#SUP 2.02)
&rst
ixpk= 2, nxpk= 0, iat= -1,1036, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1= 128, 129, 130,
&end
#
# 10 ILE QG2 62 VAL H 5.50 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 128, 129, 130,
&end
#
# 28 PHE HA 31 ILE QG2 5.50 (#SUP 8.36)
&rst
ixpk= 8, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 442, 443, 444,
&end
#
# 31 ILE HA 31 ILE QG2 3.77 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 442, 443, 444,
&end
#
# 30 GLN HG2 31 ILE QG2 5.50 (#SUP 8.48)
&rst
ixpk= 8, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 442, 443, 444,
&end
#
# 31 ILE QG2 73 ALA QB 4.22 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 442, 443, 444,
igr2=1082,1083,1084,
&end
#
# 31 ILE QG2 72 ALA QB 3.81 (#SUP 3.98)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 442, 443, 444,
igr2=1072,1073,1074,
&end
#
# 31 ILE QG2 31 ILE QD1 4.17 (#SUP 8.23)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 442, 443, 444,
igr2= 449, 450, 451,
&end
#
# 31 ILE H 31 ILE QG2 4.07 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 442, 443, 444,
&end
#
# 31 ILE QG2 77 PHE HZ 4.53 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat= -1,1155, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 442, 443, 444,
&end
#
# 72 ALA H 73 ALA QB 5.50 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1082,1083,1084,
&end
#
# 10 ILE QG2 91 PHE QE 5.50 (#SUP 1.75)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 128, 129, 130,
igr2=1375,1379,
&end
#
# 10 ILE QG2 91 PHE HA 4.85 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 128, 129, 130,
&end
#
# 10 ILE H 10 ILE QG2 4.43 (#SUP 7.74)
&rst
ixpk= 7, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 128, 129, 130,
&end
#
# 10 ILE HA 10 ILE QG2 3.95 (#SUP 7.32)
&rst
ixpk= 7, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 128, 129, 130,
&end
#
# 10 ILE QG2 89 VAL QG1 3.97 (#SUP 4.47)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 128, 129, 130,
igr2=1344,1345,1346,
&end
#
# 10 ILE QG2 74 ILE QD1 4.70 (#SUP 3.97)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
igr1= 128, 129, 130,
igr2=1101,1102,1103,
&end
#
# 28 PHE HB2 31 ILE QG2 5.50 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 442, 443, 444,
&end
#
# 31 ILE QG2 69 SER HB3 4.72 (#SUP 2.46)
&rst
ixpk= 2, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 442, 443, 444,
&end
#
# 73 ALA H 73 ALA QB 3.42 (#SUP 5.75)
&rst
ixpk= 5, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1082,1083,1084,
&end
#
# 73 ALA QB 74 ILE H 3.99 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1082,1083,1084,
&end
#
# 70 ALA HA 73 ALA QB 4.20 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1082,1083,1084,
&end
#
# 73 ALA QB 77 PHE QB 4.87 (#SUP 1.73)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1=1082,1083,1084,
igr2=1147,1148,
&end
#
# 31 ILE HB 73 ALA QB 4.89 (#SUP 1.96)
&rst
ixpk= 1, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2=1082,1083,1084,
&end
#
# 73 ALA QB 74 ILE QG1 4.20 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1=1082,1083,1084,
igr2=1098,1099,
&end
#
# 73 ALA QB 74 ILE QD1 5.50 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1082,1083,1084,
igr2=1101,1102,1103,
&end
#
# 73 ALA QB 77 PHE QE 4.37 (#SUP 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1=1082,1083,1084,
igr2=1153,1157,
&end
#
# 16 GLY HA2 19 VAL H 5.23 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat= 222, 249, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 16 GLY HA2 56 PRO HG3 5.47 (#SUP 1.48)
&rst
ixpk= 1, nxpk= 0, iat= 222, 849, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 16 GLY HA2 56 PRO HG2 5.50 (#SUP 1.48)
&rst
ixpk= 1, nxpk= 0, iat= 222, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLU H 87 ILE QG2 5.50 (#SUP 5.78)
&rst
ixpk= 5, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1303,1304,1305,
&end
#
# 13 GLN H 87 ILE QG2 5.50 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1303,1304,1305,
&end
#
# 87 ILE QG2 88 LYS H 4.24 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1303,1304,1305,
&end
#
# 87 ILE HA 87 ILE QG2 3.82 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1303,1304,1305,
&end
#
# 81 GLU HA 87 ILE QG2 5.07 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat=1206, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2=1303,1304,1305,
&end
#
# 86 ILE HA 87 ILE QG2 4.85 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2=1303,1304,1305,
&end
#
# 82 PHE HB3 87 ILE QG2 4.26 (#SUP 3.44)
&rst
ixpk= 3, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1303,1304,1305,
&end
#
# 6 ASP H 67 PRO HA 5.24 (#SUP 1.87)
&rst
ixpk= 1, nxpk= 0, iat= 68,1007, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 64 PHE H 70 ALA QB 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 953, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1040,1041,1042,
&end
#
# 10 ILE HB 70 ALA QB 5.50 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1040,1041,1042,
&end
#
# 47 LEU QB 49 THR QG2 5.50 (#SUP 2.30)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 705, 706,
igr2= 747, 748, 749,
&end
#
# 69 SER HB3 72 ALA QB 5.50 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 50 ASP HB2 53 THR H 4.15 (#SUP 6.40)
&rst
ixpk= 6, nxpk= 0, iat= 759, 801, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 50 ASP HB2 52 ASP H 4.35 (#SUP 7.49)
&rst
ixpk= 7, nxpk= 0, iat= 759, 789, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 50 ASP H 50 ASP HB2 3.75 (#SUP 4.89)
&rst
ixpk= 4, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 49 THR QG2 50 ASP HB3 5.50 (#SUP 4.25)
&rst
ixpk= 4, nxpk= 0, iat= -1, 760, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 747, 748, 749,
&end
#
# 50 ASP HB3 52 ASP H 5.50 (#SUP 7.01)
&rst
ixpk= 7, nxpk= 0, iat= 760, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 ASP HB3 55 LYS H 4.84 (#SUP 2.93)
&rst
ixpk= 2, nxpk= 0, iat= 760, 822, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 49 THR HA 50 ASP HB3 4.99 (#SUP 5.06)
&rst
ixpk= 5, nxpk= 0, iat= 743, 760, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 50 ASP HB3 57 LYS QD 4.82 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 868, 869,
&end
#
# 50 ASP HB3 53 THR QG2 5.50 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 807, 808, 809,
&end
#
# 70 ALA QB 71 LYS H 3.97 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1040,1041,1042,
&end
#
# 70 ALA QB 71 LYS HA 5.05 (#SUP 4.46)
&rst
ixpk= 4, nxpk= 0, iat= -1,1048, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1040,1041,1042,
&end
#
# 10 ILE QG2 70 ALA QB 3.97 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 128, 129, 130,
igr2=1040,1041,1042,
&end
#
# 10 ILE QD1 70 ALA QB 5.50 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 135, 136, 137,
igr2=1040,1041,1042,
&end
#
# 72 ALA QB 73 ALA H 3.71 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1072,1073,1074,
&end
#
# 72 ALA QB 74 ILE H 5.49 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= -1,1088, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1=1072,1073,1074,
&end
#
# 71 LYS H 72 ALA QB 5.22 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1072,1073,1074,
&end
#
# 69 SER HA 72 ALA QB 3.72 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat=1027, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1072,1073,1074,
&end
#
# 69 SER HB2 72 ALA QB 5.50 (#SUP 2.98)
&rst
ixpk= 2, nxpk= 0, iat=1029, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 72 ALA QB 73 ALA QB 4.56 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1=1072,1073,1074,
igr2=1082,1083,1084,
&end
#
# 33 ILE QG2 65 ASP H 4.91 (#SUP 4.38)
&rst
ixpk= 4, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 468, 469, 470,
&end
#
# 33 ILE H 33 ILE QG2 4.37 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 468, 469, 470,
&end
#
# 33 ILE HA 33 ILE QG2 3.64 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 468, 469, 470,
&end
#
# 33 ILE QG2 34 ILE HA 5.50 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 468, 469, 470,
&end
#
# 33 ILE QG2 65 ASP HB2 5.32 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 468, 469, 470,
&end
#
# 33 ILE QG2 65 ASP HB3 4.40 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 468, 469, 470,
&end
#
# 33 ILE QG2 33 ILE HG12 3.84 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= -1, 472, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 468, 469, 470,
&end
#
# 33 ILE QG2 33 ILE HG13 3.99 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 468, 469, 470,
&end
#
# 33 ILE QG2 34 ILE QG1 4.93 (#SUP 6.02)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 468, 469, 470,
igr2= 491, 492,
&end
#
# 20 SER HB2 83 HIS HE1 4.51 (#SUP 1.26)
&rst
ixpk= 1, nxpk= 0, iat= 269,1249, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 19 VAL QG2 20 SER HB2 5.50 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= -1, 269, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 259, 260, 261,
&end
#
# 21 THR HB 22 ASP H 5.00 (#SUP 3.79)
&rst
ixpk= 3, nxpk= 0, iat= 280, 290, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 24 VAL HA 24 VAL QG1 3.39 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat= 321, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 325, 326, 327,
&end
#
# 24 VAL HA 27 PHE HB2 5.42 (#SUP 2.15)
&rst
ixpk= 2, nxpk= 0, iat= 321, 361, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 24 VAL HA 27 PHE HB3 5.10 (#SUP 1.65)
&rst
ixpk= 1, nxpk= 0, iat= 321, 362, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 66 ASP HB2 68 PRO HD3 4.66 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat= 989,1013, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 66 ASP HB2 67 PRO HD2 5.27 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 989, 998, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 66 ASP HB2 68 PRO HG3 5.27 (#SUP 3.56)
&rst
ixpk= 3, nxpk= 0, iat= 989,1016, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 66 ASP HB3 67 PRO HD2 4.97 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 990, 998, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 66 ASP HB3 67 PRO HD3 5.02 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 990, 999, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 66 ASP HB3 68 PRO HD2 5.28 (#SUP 3.40)
&rst
ixpk= 3, nxpk= 0, iat= 990,1012, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 50 ASP HB3 57 LYS QE 4.23 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= 760, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 871, 872,
&end
#
# 33 ILE QG2 64 PHE QD 5.50 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 468, 469, 470,
igr2= 961, 969,
&end
#
# 33 ILE QG2 35 LYS HB2 5.50 (#SUP 2.15)
&rst
ixpk= 2, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 468, 469, 470,
&end
#
# 82 PHE H 86 ILE QG2 5.50 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1284,1285,1286,
&end
#
# 85 ASN HA 86 ILE QG2 5.50 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1284,1285,1286,
&end
#
# 86 ILE QG2 88 LYS H 5.50 (#SUP 3.20)
&rst
ixpk= 3, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1284,1285,1286,
&end
#
# 86 ILE HA 86 ILE QG2 3.83 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1284,1285,1286,
&end
#
# 79 GLY HA2 86 ILE QG2 4.17 (#SUP 2.67)
&rst
ixpk= 2, nxpk= 0, iat=1177, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1284,1285,1286,
&end
#
# 79 GLY HA3 86 ILE QG2 3.98 (#SUP 2.67)
&rst
ixpk= 2, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1284,1285,1286,
&end
#
# 80 LYS QB 86 ILE QG2 5.50 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1186,1187,
igr2=1284,1285,1286,
&end
#
# 80 LYS H 86 ILE QG2 5.40 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr2=1284,1285,1286,
&end
#
# 39 LYS QE 40 THR H 5.23 (#SUP 7.02)
&rst
ixpk= 7, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 585, 586,
&end
#
# 49 THR HA 51 LYS QE 4.82 (#SUP 2.84)
&rst
ixpk= 2, nxpk= 0, iat= 743, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 780, 781,
&end
#
# 85 ASN HB3 86 ILE H 4.98 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat=1269,1278, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 64 PHE HB3 65 ASP HA 4.68 (#SUP 3.89)
&rst
ixpk= 3, nxpk= 0, iat= 958, 975, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 74 ILE QG2 90 SER HB2 5.50 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1094,1095,1096,
&end
#
# 90 SER HB2 91 PHE HB3 4.85 (#SUP 3.84)
&rst
ixpk= 3, nxpk= 0, iat=1358,1370, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 90 SER HB3 91 PHE HB3 4.70 (#SUP 3.84)
&rst
ixpk= 3, nxpk= 0, iat=1359,1370, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 38 LYS QG 38 LYS QE 3.61 (#SUP 2.82)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 557, 558,
igr2= 563, 564,
&end
#
# 39 LYS QD 39 LYS QE 3.00 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1= 582, 583,
igr2= 585, 586,
&end
#
# 82 PHE HB2 87 ILE QG1 5.18 (#SUP 0.02)
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1307,1308,
&end
#
# 33 ILE H 65 ASP HB2 4.17 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat= 462, 977, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 33 ILE HB 65 ASP HB2 4.58 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= 466, 977, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 33 ILE QD1 65 ASP HB2 5.50 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= -1, 977, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 475, 476, 477,
&end
#
# 65 ASP HB3 66 ASP H 4.47 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= 978, 985, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 64 PHE HA 65 ASP HB3 4.35 (#SUP 2.52)
&rst
ixpk= 2, nxpk= 0, iat= 955, 978, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 33 ILE HB 65 ASP HB3 4.65 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 466, 978, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 74 ILE QG2 89 VAL QG2 5.10 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1=1094,1095,1096,
igr2=1348,1349,1350,
&end
#
# 74 ILE QG2 90 SER H 5.35 (#SUP 7.50)
&rst
ixpk= 7, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1094,1095,1096,
&end
#
# 74 ILE QG2 91 PHE QD 5.50 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1094,1095,1096,
igr2=1373,1381,
&end
#
# 74 ILE HA 74 ILE QG2 3.85 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1094,1095,1096,
&end
#
# 74 ILE QG2 78 ASP HB2 4.44 (#SUP 1.36)
&rst
ixpk= 1, nxpk= 0, iat= -1,1167, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1094,1095,1096,
&end
#
# 74 ILE QG2 89 VAL HB 4.57 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= -1,1342, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1094,1095,1096,
&end
#
# 74 ILE QG2 89 VAL QG1 3.62 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1094,1095,1096,
igr2=1344,1345,1346,
&end
#
# 34 ILE QG2 43 PRO HA 5.02 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= -1, 647, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 487, 488, 489,
&end
#
# 33 ILE HA 34 ILE QG2 5.50 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 487, 488, 489,
&end
#
# 34 ILE QG2 62 VAL QG1 5.50 (#SUP 1.46)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 487, 488, 489,
igr2= 932, 933, 934,
&end
#
# 45 ILE QG2 46 ASN HA 5.29 (#SUP 3.96)
&rst
ixpk= 3, nxpk= 0, iat= -1, 689, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 674, 675, 676,
&end
#
# 45 ILE QG2 46 ASN H 3.94 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 674, 675, 676,
&end
#
# 45 ILE HA 45 ILE QG2 3.92 (#SUP 4.94)
&rst
ixpk= 4, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 674, 675, 676,
&end
#
# 45 ILE QG2 46 ASN QB 5.50 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 674, 675, 676,
igr2= 691, 692,
&end
#
# 68 PRO HA 71 LYS H 4.37 (#SUP 3.21)
&rst
ixpk= 3, nxpk= 0, iat=1021,1046, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 34 ILE QG2 35 LYS H 4.06 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 487, 488, 489,
&end
#
# 34 ILE QG2 43 PRO HB2 4.35 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 487, 488, 489,
&end
#
# 34 ILE QG2 62 VAL QG2 4.49 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 487, 488, 489,
igr2= 936, 937, 938,
&end
#
# 68 PRO HA 70 ALA H 5.35 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat=1021,1036, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 44 MET HA 45 ILE HB 5.50 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= 653, 672, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE HA 78 ASP HB2 5.29 (#SUP 1.43)
&rst
ixpk= 1, nxpk= 0, iat=1090,1167, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 74 ILE HA 89 VAL HB 4.18 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat=1090,1342, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 56 PRO HA 57 LYS QE 5.39 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 871, 872,
&end
#
# 57 LYS H 57 LYS QE 5.50 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 871, 872,
&end
#
# 75 ASP H 75 ASP HB2 4.11 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat=1107,1111, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 ASP H 22 ASP HB2 3.93 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= 290, 294, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 6 ASP QB 7 ASN H 3.38 (#SUP 3.21)
&rst
ixpk= 3, nxpk= 0, iat= -1, 80, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 72, 73,
&end
#
# 22 ASP HB3 23 GLN H 4.70 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 295, 302, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 86 ILE HA 87 ILE HB 5.50 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat=1280,1301, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HB 77 PHE QE 4.41 (#SUP 3.83)
&rst
ixpk= 3, nxpk= 0, iat= 440, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1153,1157,
&end
#
# 91 PHE HB3 92 ALA H 3.64 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat=1370,1385, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 46 ASN QB 60 ALA QB 5.50 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 691, 692,
igr2= 906, 907, 908,
&end
#
# 46 ASN QB 61 THR H 3.79 (#SUP 4.41)
&rst
ixpk= 4, nxpk= 0, iat= -1, 912, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 691, 692,
&end
#
# 8 ASN HD22 63 SER HB2 5.50 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 104, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 MET HB2 63 SER HB2 4.22 (#SUP 4.08)
&rst
ixpk= 4, nxpk= 0, iat= 655, 946, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 44 MET HB3 63 SER HB2 5.03 (#SUP 4.83)
&rst
ixpk= 4, nxpk= 0, iat= 656, 946, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 80 LYS H 87 ILE QD1 5.50 (#SUP 1.22)
&rst
ixpk= 1, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1310,1311,1312,
&end
#
# 87 ILE H 87 ILE QD1 4.73 (#SUP 6.21)
&rst
ixpk= 6, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1310,1311,1312,
&end
#
# 28 PHE QE 87 ILE QD1 4.47 (#SUP 1.29)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 387, 391,
igr2=1310,1311,1312,
&end
#
# 87 ILE HA 87 ILE QD1 5.18 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1310,1311,1312,
&end
#
# 12 VAL HA 87 ILE QD1 5.50 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1310,1311,1312,
&end
#
# 14 GLY HA3 87 ILE QD1 5.00 (#SUP 4.89)
&rst
ixpk= 4, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2=1310,1311,1312,
&end
#
# 77 PHE QB 87 ILE QD1 4.18 (#SUP 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1147,1148,
igr2=1310,1311,1312,
&end
#
# 28 PHE HB3 87 ILE QD1 5.04 (#SUP 1.29)
&rst
ixpk= 1, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1310,1311,1312,
&end
#
# 82 PHE HB3 87 ILE QD1 4.99 (#SUP 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1224, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1310,1311,1312,
&end
#
# 87 ILE QD1 89 VAL QG1 5.50 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1310,1311,1312,
igr2=1344,1345,1346,
&end
#
# 77 PHE QE 87 ILE QD1 5.50 (#SUP 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1153,1157,
igr2=1310,1311,1312,
&end
#
# 12 VAL QG1 87 ILE QD1 4.06 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 167, 168, 169,
igr2=1310,1311,1312,
&end
#
# 9 THR QG2 63 SER HB3 5.50 (#SUP 3.50)
&rst
ixpk= 3, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 37 ASN HB3 38 LYS H 4.86 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat= 541, 550, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 8 ASN HD21 37 ASN HB3 4.41 (#SUP 3.59)
&rst
ixpk= 3, nxpk= 0, iat= 103, 541, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 37 ASN HB3 40 THR QG2 5.50 (#SUP 3.02)
&rst
ixpk= 3, nxpk= 0, iat= 541, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 600, 601, 602,
&end
#
# 8 ASN HB2 63 SER HB2 5.50 (#SUP 2.31)
&rst
ixpk= 2, nxpk= 0, iat= 98, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 27 PHE QE 28 PHE HB2 5.00 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 367, 371,
&end
#
# 28 PHE HB2 77 PHE HZ 4.98 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= 381,1155, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 33 ILE HB 33 ILE QD1 3.81 (#SUP 6.71)
&rst
ixpk= 6, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 475, 476, 477,
&end
#
# 74 ILE HB 89 VAL QG1 5.50 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1344,1345,1346,
&end
#
# 56 PRO HA 57 LYS H 3.42 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 854, 858, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 50 ASP HB3 56 PRO HA 3.89 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= 760, 854, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 5 SER QB 67 PRO HG3 5.50 (#SUP 1.33)
&rst
ixpk= 1, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 61, 62,
&end
#
# 5 SER QB 6 ASP H 4.07 (#SUP 2.42)
&rst
ixpk= 2, nxpk= 0, iat= -1, 68, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 61, 62,
&end
#
# 5 SER H 5 SER QB 4.13 (#SUP 2.30)
&rst
ixpk= 2, nxpk= 0, iat= 57, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 61, 62,
&end
#
# 8 ASN HB3 35 LYS QD 5.42 (#SUP 1.70)
&rst
ixpk= 1, nxpk= 0, iat= 99, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 510, 511,
&end
#
# 7 ASN HB3 8 ASN H 5.39 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= 85, 94, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 33 ILE HB 34 ILE QD1 5.50 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 494, 495, 496,
&end
#
# 22 ASP H 45 ILE QD1 5.50 (#SUP 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 681, 682, 683,
&end
#
# 44 MET H 45 ILE QD1 5.50 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 681, 682, 683,
&end
#
# 24 VAL H 45 ILE QD1 5.50 (#SUP 2.54)
&rst
ixpk= 2, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 681, 682, 683,
&end
#
# 45 ILE H 45 ILE QD1 4.81 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 681, 682, 683,
&end
#
# 45 ILE HA 45 ILE QD1 4.84 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 681, 682, 683,
&end
#
# 45 ILE HB 45 ILE QD1 3.41 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat= 672, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 681, 682, 683,
&end
#
# 45 ILE QD1 62 VAL QG1 4.71 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
igr1= 681, 682, 683,
igr2= 932, 933, 934,
&end
#
# 45 ILE QD1 62 VAL QG2 4.85 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
igr1= 681, 682, 683,
igr2= 936, 937, 938,
&end
#
# 26 GLU H 45 ILE QD1 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 681, 682, 683,
&end
#
# 22 ASP HA 45 ILE QD1 5.46 (#SUP 1.94)
&rst
ixpk= 1, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2= 681, 682, 683,
&end
#
# 10 ILE H 10 ILE QD1 4.80 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 135, 136, 137,
&end
#
# 10 ILE QD1 89 VAL HA 5.46 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 135, 136, 137,
&end
#
# 10 ILE QD1 64 PHE HB2 5.50 (#SUP 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 135, 136, 137,
&end
#
# 10 ILE HB 10 ILE QD1 4.23 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 135, 136, 137,
&end
#
# 10 ILE QD1 89 VAL QG1 4.08 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 135, 136, 137,
igr2=1344,1345,1346,
&end
#
# 10 ILE QG2 10 ILE QD1 3.91 (#SUP 6.21)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 128, 129, 130,
igr2= 135, 136, 137,
&end
#
# 10 ILE QD1 12 VAL QG2 4.11 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 135, 136, 137,
igr2= 171, 172, 173,
&end
#
# 10 ILE QD1 62 VAL QG1 3.90 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 135, 136, 137,
igr2= 932, 933, 934,
&end
#
# 10 ILE QD1 62 VAL QG2 4.84 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
igr1= 135, 136, 137,
igr2= 936, 937, 938,
&end
#
# 10 ILE HA 10 ILE QD1 5.50 (#SUP 5.75)
&rst
ixpk= 5, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 135, 136, 137,
&end
#
# 48 TYR HB3 59 GLU HB3 5.50 (#SUP 4.49)
&rst
ixpk= 4, nxpk= 0, iat= 725, 892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 34 ILE QD1 4.25 (#SUP 7.89)
&rst
ixpk= 7, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 494, 495, 496,
&end
#
# 34 ILE HA 34 ILE QD1 4.84 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 494, 495, 496,
&end
#
# 25 GLY HA3 34 ILE QD1 4.10 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 338, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 494, 495, 496,
&end
#
# 29 LYS HB3 34 ILE QD1 5.32 (#SUP 1.52)
&rst
ixpk= 1, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr2= 494, 495, 496,
&end
#
# 34 ILE HB 34 ILE QD1 3.47 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 494, 495, 496,
&end
#
# 34 ILE QD1 62 VAL QG2 4.10 (#SUP 2.64)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 494, 495, 496,
igr2= 936, 937, 938,
&end
#
# 28 PHE HB2 34 ILE QD1 5.28 (#SUP 1.73)
&rst
ixpk= 1, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
igr2= 494, 495, 496,
&end
#
# 7 ASN HB2 96 PRO HA 5.25 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 84,1467, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 33 ILE HA 34 ILE HB 4.77 (#SUP 7.05)
&rst
ixpk= 7, nxpk= 0, iat= 464, 485, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 64 PHE QD 69 SER HB3 5.19 (#SUP 2.23)
&rst
ixpk= 2, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr1= 961, 969,
&end
#
# 74 ILE QD1 91 PHE HA 4.77 (#SUP 4.45)
&rst
ixpk= 4, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1101,1102,1103,
&end
#
# 74 ILE QD1 90 SER HB3 5.50 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= -1,1359, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1101,1102,1103,
&end
#
# 74 ILE QD1 91 PHE HB3 5.50 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1101,1102,1103,
&end
#
# 10 ILE HA 74 ILE QD1 5.39 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr2=1101,1102,1103,
&end
#
# 74 ILE QD1 90 SER HB2 5.50 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1101,1102,1103,
&end
#
# 71 LYS HA 74 ILE QD1 4.09 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1101,1102,1103,
&end
#
# 74 ILE HA 74 ILE QD1 5.02 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat=1090, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1101,1102,1103,
&end
#
# 71 LYS HB2 74 ILE QD1 5.50 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat=1050, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1101,1102,1103,
&end
#
# 74 ILE HB 74 ILE QD1 4.03 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat=1092, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1101,1102,1103,
&end
#
# 70 ALA QB 74 ILE QD1 5.14 (#SUP 3.03)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1040,1041,1042,
igr2=1101,1102,1103,
&end
#
# 74 ILE QD1 89 VAL QG1 4.89 (#SUP 8.57)
&rst
ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
igr1=1101,1102,1103,
igr2=1344,1345,1346,
&end
#
# 74 ILE QG2 74 ILE QD1 3.74 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1094,1095,1096,
igr2=1101,1102,1103,
&end
#
# 69 SER HB3 70 ALA HA 4.71 (#SUP 2.70)
&rst
ixpk= 2, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 9 THR HA 62 VAL H 5.50 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= 110, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR HA 63 SER HB2 5.17 (#SUP 4.22)
&rst
ixpk= 4, nxpk= 0, iat= 110, 946, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 9 THR HA 10 ILE QG2 5.50 (#SUP 4.94)
&rst
ixpk= 4, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 128, 129, 130,
&end
#
# 32 GLY HA3 33 ILE QD1 5.50 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 475, 476, 477,
&end
#
# 53 THR HA 53 THR QG2 3.47 (#SUP 4.07)
&rst
ixpk= 4, nxpk= 0, iat= 803, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 807, 808, 809,
&end
#
# 27 PHE HB2 28 PHE HA 5.21 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= 361, 379, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 28 PHE HA 30 GLN H 3.94 (#SUP 9.92)
&rst
ixpk= 9, nxpk= 0, iat= 379, 419, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 28 PHE HA 77 PHE HZ 4.46 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= 379,1155, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 28 PHE HA 77 PHE QE 5.02 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1153,1157,
&end
#
# 92 ALA H 93 THR HA 5.50 (#SUP 2.56)
&rst
ixpk= 2, nxpk= 0, iat=1385,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HD21 93 THR HA 5.49 (#SUP 4.23)
&rst
ixpk= 4, nxpk= 0, iat= 89,1397, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 93 THR HA 93 THR HB 2.90 (#SUP 3.42)
&rst
ixpk= 3, nxpk= 0, iat=1397,1399, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 93 THR HA 94 ARG QB 5.28 (#SUP 3.71)
&rst
ixpk= 3, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1413,1414,
&end
#
# 93 THR HA 94 ARG QG 5.50 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1397, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1416,1417,
&end
#
# 31 ILE QG2 69 SER HA 5.18 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1027, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 442, 443, 444,
&end
#
# 86 ILE HB 87 ILE H 5.22 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat=1282,1297, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 33 ILE QD1 34 ILE H 5.21 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 475, 476, 477,
&end
#
# 33 ILE HA 33 ILE QD1 4.25 (#SUP 7.52)
&rst
ixpk= 7, nxpk= 0, iat= 464, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 475, 476, 477,
&end
#
# 28 PHE HA 31 ILE QD1 5.50 (#SUP 7.86)
&rst
ixpk= 7, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 449, 450, 451,
&end
#
# 36 THR HA 43 PRO HA 3.52 (#SUP 3.37)
&rst
ixpk= 3, nxpk= 0, iat= 524, 647, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 36 THR HA 37 ASN HB3 5.17 (#SUP 3.78)
&rst
ixpk= 3, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 57 LYS QD 59 GLU QG 4.37 (#SUP 2.71)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 868, 869,
igr2= 894, 895,
&end
#
# 81 GLU QG 82 PHE H 4.85 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1=1211,1212,
&end
#
# 81 GLU QG 86 ILE QD1 4.81 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1=1211,1212,
igr2=1291,1292,1293,
&end
#
# 81 GLU H 81 GLU QG 4.44 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1211,1212,
&end
#
# 33 ILE HA 33 ILE HG12 3.85 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= 464, 472, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 33 ILE HA 33 ILE HG13 4.23 (#SUP 7.38)
&rst
ixpk= 7, nxpk= 0, iat= 464, 473, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 34 ILE HA 64 PHE QD 5.50 (#SUP 2.56)
&rst
ixpk= 2, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 961, 969,
&end
#
# 16 GLY HA3 17 GLU QG 4.77 (#SUP 4.06)
&rst
ixpk= 4, nxpk= 0, iat= 223, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 234, 235,
&end
#
# 17 GLU HA 17 GLU QG 3.56 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 234, 235,
&end
#
# 17 GLU QB 17 GLU QG 2.89 (#SUP 5.20)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr1= 231, 232,
igr2= 234, 235,
&end
#
# 59 GLU H 59 GLU QG 5.25 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr2= 894, 895,
&end
#
# 80 LYS HA 81 GLU QG 5.50 (#SUP 3.16)
&rst
ixpk= 3, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1211,1212,
&end
#
# 30 GLN H 31 ILE QD1 5.31 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat= 419, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr2= 449, 450, 451,
&end
#
# 31 ILE QD1 76 TRP HH2 5.29 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1= 449, 450, 451,
&end
#
# 31 ILE QD1 73 ALA QB 5.22 (#SUP 5.13)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
igr1= 449, 450, 451,
igr2=1082,1083,1084,
&end
#
# 31 ILE QD1 76 TRP HE3 4.70 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 449, 450, 451,
&end
#
# 31 ILE QD1 77 PHE QD 4.86 (#SUP 7.15)
&rst
ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 449, 450, 451,
igr2=1151,1159,
&end
#
# 31 ILE HA 31 ILE QD1 3.95 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat= 438, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 449, 450, 451,
&end
#
# 28 PHE HB2 31 ILE QD1 5.50 (#SUP 4.71)
&rst
ixpk= 4, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 449, 450, 451,
&end
#
# 31 ILE QD1 76 TRP HB2 4.57 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat= -1,1123, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 449, 450, 451,
&end
#
# 40 THR HA 40 THR QG2 3.44 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 600, 601, 602,
&end
#
# 61 THR QG2 62 VAL HA 5.50 (#SUP 4.94)
&rst
ixpk= 4, nxpk= 0, iat= -1, 928, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 918, 919, 920,
&end
#
# 62 VAL HA 63 SER HB3 5.50 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 928, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE HA 34 ILE HA 4.66 (#SUP 7.70)
&rst
ixpk= 7, nxpk= 0, iat= 464, 483, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 26 GLU H 26 GLU QG 3.85 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 349, 350,
&end
#
# 57 LYS H 59 GLU QG 5.48 (#SUP 4.30)
&rst
ixpk= 4, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 894, 895,
&end
#
# 30 GLN HG2 31 ILE QD1 4.73 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 449, 450, 451,
&end
#
# 40 THR HA 42 LYS H 4.92 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 596, 615, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 39 LYS QB 40 THR HA 4.85 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 576, 577,
&end
#
# 40 THR HA 41 GLY HA3 5.04 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat= 596, 611, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 26 GLU QG 27 PHE HA 5.50 (#SUP 3.71)
&rst
ixpk= 3, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 349, 350,
&end
#
# 86 ILE QD1 87 ILE H 4.97 (#SUP 5.22)
&rst
ixpk= 5, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1=1291,1292,1293,
&end
#
# 81 GLU H 86 ILE QD1 4.84 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1291,1292,1293,
&end
#
# 81 GLU QB 86 ILE QD1 4.71 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
igr1=1208,1209,
igr2=1291,1292,1293,
&end
#
# 86 ILE H 86 ILE QD1 4.69 (#SUP 5.61)
&rst
ixpk= 5, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2=1291,1292,1293,
&end
#
# 86 ILE HA 86 ILE QD1 4.03 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1291,1292,1293,
&end
#
# 27 PHE HA 30 GLN HG3 5.10 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= 359, 427, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 82 PHE H 86 ILE HA 4.64 (#SUP 7.71)
&rst
ixpk= 7, nxpk= 0, iat=1219,1280, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 81 GLU HA 86 ILE HA 4.08 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat=1206,1280, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 81 GLU QG 86 ILE HA 5.50 (#SUP 5.37)
&rst
ixpk= 5, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1211,1212,
&end
#
# 49 THR HA 56 PRO HA 3.42 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 743, 854, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 88 LYS HB3 88 LYS QD 3.80 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1326,1327,
&end
#
# 10 ILE QD1 62 VAL HB 4.77 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 135, 136, 137,
&end
#
# 88 LYS HB2 88 LYS QD 4.06 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat=1320, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2=1326,1327,
&end
#
# 13 GLN QG 88 LYS HB2 4.12 (#SUP 1.87)
&rst
ixpk= 1, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 184, 185,
&end
#
# 45 ILE HA 45 ILE QG1 3.94 (#SUP 5.50)
&rst
ixpk= 5, nxpk= 0, iat= 670, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 678, 679,
&end
#
# 28 PHE HA 30 GLN HG2 5.50 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat= 379, 426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL HB 60 ALA QB 4.91 (#SUP 3.73)
&rst
ixpk= 3, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 906, 907, 908,
&end
#
# 10 ILE QD1 12 VAL HB 5.50 (#SUP 2.31)
&rst
ixpk= 2, nxpk= 0, iat= -1, 165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 135, 136, 137,
&end
#
# 11 PHE H 61 THR HA 5.50 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat= 141, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE H 61 THR HA 5.38 (#SUP 8.20)
&rst
ixpk= 8, nxpk= 0, iat= 122, 914, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end
#
# 61 THR HA 62 VAL H 3.30 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 914, 926, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 11 PHE QE 61 THR HA 5.01 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 151, 155,
&end
#
# 46 ASN HD21 61 THR HA 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 696, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HA 61 THR HA 3.86 (#SUP 9.48)
&rst
ixpk= 9, nxpk= 0, iat= 143, 914, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 11 PHE HB3 61 THR HA 5.50 (#SUP 5.79)
&rst
ixpk= 5, nxpk= 0, iat= 146, 914, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE QG1 61 THR HA 4.56 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 132, 133,
&end
#
# 9 THR QG2 61 THR HA 4.80 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 114, 115, 116,
&end
#
# 60 ALA QB 61 THR HA 5.50 (#SUP 4.67)
&rst
ixpk= 4, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 906, 907, 908,
&end
#
# 12 VAL QG2 61 THR HA 5.50 (#SUP 7.01)
&rst
ixpk= 7, nxpk= 0, iat= -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 171, 172, 173,
&end
#
# 61 THR HA 62 VAL QG1 5.12 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 914, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 932, 933, 934,
&end
#
# 87 ILE HA 88 LYS H 3.37 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=1299,1316, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 14 GLY HA2 87 ILE HA 4.41 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 196,1299, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 14 GLY HA3 87 ILE HA 4.58 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat= 197,1299, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 23 GLN HG2 24 VAL QG1 5.50 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 325, 326, 327,
&end
#
# 30 GLN HG2 32 GLY H 5.50 (#SUP 6.12)
&rst
ixpk= 6, nxpk= 0, iat= 426, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HA 30 GLN HG2 4.19 (#SUP 8.55)
&rst
ixpk= 8, nxpk= 0, iat= 421, 426, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 23 GLN H 23 GLN HG3 4.61 (#SUP 5.33)
&rst
ixpk= 5, nxpk= 0, iat= 302, 310, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 23 GLN HG3 24 VAL H 4.47 (#SUP 6.10)
&rst
ixpk= 6, nxpk= 0, iat= 310, 319, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 30 GLN H 30 GLN HG3 3.84 (#SUP 8.49)
&rst
ixpk= 8, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 30 GLN HG3 77 PHE HZ 4.84 (#SUP 1.22)
&rst
ixpk= 1, nxpk= 0, iat= 427,1155, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 28 PHE HA 30 GLN HG3 5.50 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 379, 427, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 THR HA 62 VAL HA 5.48 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 914, 928, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 75 ASP HB3 76 TRP HA 5.05 (#SUP 3.17)
&rst
ixpk= 3, nxpk= 0, iat=1112,1121, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 33 ILE QG2 35 LYS HB3 4.79 (#SUP 2.19)
&rst
ixpk= 2, nxpk= 0, iat= -1, 505, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 468, 469, 470,
&end
#
# 10 ILE HA 91 PHE HA 4.01 (#SUP 4.34)
&rst
ixpk= 4, nxpk= 0, iat= 124,1367, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 10 ILE HA 11 PHE HB3 5.50 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= 124, 146, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE HA 89 VAL QG1 5.50 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1344,1345,1346,
&end
#
# 57 LYS QB 57 LYS QE 5.44 (#SUP 4.69)
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 862, 863,
igr2= 871, 872,
&end
#
# 57 LYS QB 59 GLU QG 4.25 (#SUP 3.96)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 862, 863,
igr2= 894, 895,
&end
#
# 57 LYS QB 57 LYS QD 3.49 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 862, 863,
igr2= 868, 869,
&end
#
# 48 TYR HB2 57 LYS QB 5.18 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 724, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 862, 863,
&end
#
# 13 GLN QB 87 ILE QD1 5.50 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 181, 182,
igr2=1310,1311,1312,
&end
#
# 13 GLN QB 88 LYS HB2 3.66 (#SUP 3.72)
&rst
ixpk= 3, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 181, 182,
&end
#
# 13 GLN QB 88 LYS HA 5.23 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 181, 182,
&end
#
# 35 LYS HB2 36 THR H 5.50 (#SUP 6.54)
&rst
ixpk= 6, nxpk= 0, iat= 504, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LYS HB3 36 THR H 5.24 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat= 505, 522, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 35 LYS HB3 64 PHE HA 5.50 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat= 505, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE HA 91 PHE QD 5.29 (#SUP 4.49)
&rst
ixpk= 4, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2=1373,1381,
&end
#
# 10 ILE HA 11 PHE HB2 5.30 (#SUP 4.84)
&rst
ixpk= 4, nxpk= 0, iat= 124, 145, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 26 GLU HA 28 PHE H 5.07 (#SUP 5.38)
&rst
ixpk= 5, nxpk= 0, iat= 344, 377, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end
#
# 26 GLU HA 26 GLU QG 3.83 (#SUP 4.37)
&rst
ixpk= 4, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 349, 350,
&end
#
# 26 GLU HA 29 LYS HB3 4.30 (#SUP 2.70)
&rst
ixpk= 2, nxpk= 0, iat= 344, 402, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 38 LYS HA 38 LYS QD 3.48 (#SUP 3.65)
&rst
ixpk= 3, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 560, 561,
&end
#
# 26 GLU HA 29 LYS QG 4.74 (#SUP 2.64)
&rst
ixpk= 2, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 404, 405,
&end
#
# 71 LYS HA 74 ILE HB 4.30 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat=1048,1092, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 71 LYS HA 71 LYS QG 4.09 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1053,1054,
&end
#
# 71 LYS HA 74 ILE QG2 5.50 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat=1048, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1094,1095,1096,
&end
#
# 51 LYS HA 52 ASP HA 5.17 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 769, 791, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 51 LYS HA 54 GLY HA3 3.79 (#SUP 4.08)
&rst
ixpk= 4, nxpk= 0, iat= 769, 818, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 51 LYS HA 51 LYS QG 4.19 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 774, 775,
&end
#
# 50 ASP HA 51 LYS HA 4.97 (#SUP 5.19)
&rst
ixpk= 5, nxpk= 0, iat= 757, 769, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 38 LYS HA 41 GLY HA3 5.16 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 552, 611, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 38 LYS HA 38 LYS QG 4.23 (#SUP 4.64)
&rst
ixpk= 4, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 557, 558,
&end
#
# 78 ASP HA 79 GLY H 3.28 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat=1165,1175, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 78 ASP HA 89 VAL HB 4.77 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat=1165,1342, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 78 ASP HA 80 LYS H 4.68 (#SUP 2.48)
&rst
ixpk= 2, nxpk= 0, iat=1165,1182, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 5 SER HA 67 PRO HA 4.58 (#SUP 3.76)
&rst
ixpk= 3, nxpk= 0, iat= 59,1007, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 5 SER HA 67 PRO HG2 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 59,1001, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LYS HA 39 LYS HG3 4.23 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat= 574, 580, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 39 LYS HA 39 LYS QD 4.77 (#SUP 6.19)
&rst
ixpk= 6, nxpk= 0, iat= 574, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 582, 583,
&end
#
# 5 SER HA 6 ASP QB 4.71 (#SUP 2.26)
&rst
ixpk= 2, nxpk= 0, iat= 59, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 72, 73,
&end
#
# 35 LYS H 44 MET QG 4.72 (#SUP 1.06)
&rst
ixpk= 1, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 658, 659,
&end
#
# 39 LYS QB 39 LYS QE 5.50 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 576, 577,
igr2= 585, 586,
&end
#
# 39 LYS H 39 LYS QB 3.55 (#SUP 8.07)
&rst
ixpk= 8, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 576, 577,
&end
#
# 39 LYS QB 41 GLY H 5.50 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 576, 577,
&end
#
# 51 LYS QG 56 PRO HB2 5.33 (#SUP 2.35)
&rst
ixpk= 2, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 774, 775,
&end
#
# 50 ASP H 56 PRO HB2 4.68 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat= 755, 851, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 43 PRO HB2 44 MET QG 4.29 (#SUP 3.97)
&rst
ixpk= 3, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 658, 659,
&end
#
# 44 MET QG 45 ILE H 4.43 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 658, 659,
&end
#
# 36 THR HA 44 MET QG 5.01 (#SUP 3.36)
&rst
ixpk= 3, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2= 658, 659,
&end
#
# 36 THR HA 43 PRO HB2 4.96 (#SUP 3.26)
&rst
ixpk= 3, nxpk= 0, iat= 524, 644, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 43 PRO HB2 45 ILE QG1 4.35 (#SUP 2.42)
&rst
ixpk= 2, nxpk= 0, iat= 644, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 678, 679,
&end
#
# 4 MET QB 5 SER H 4.45 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 44, 45,
&end
#
# 3 HIS HA 4 MET QB 5.29 (#SUP 1.71)
&rst
ixpk= 1, nxpk= 0, iat= 24, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr2= 44, 45,
&end
#
# 29 LYS H 30 GLN HA 5.50 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 397, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HA 32 GLY H 4.99 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 421, 455, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 30 GLN HA 30 GLN HG3 3.66 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat= 421, 427, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 29 LYS QG 30 GLN HA 4.88 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= -1, 421, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 404, 405,
&end
#
# 17 GLU HA 19 VAL H 4.30 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= 229, 249, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 17 GLU HA 17 GLU QB 2.98 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 231, 232,
&end
#
# 51 LYS QE 56 PRO HB2 4.84 (#SUP 1.07)
&rst
ixpk= 1, nxpk= 0, iat= -1, 851, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 780, 781,
&end
#
# 38 LYS QB 39 LYS H 4.12 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= -1, 572, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 554, 555,
&end
#
# 38 LYS H 38 LYS QB 3.31 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 554, 555,
&end
#
# 63 SER HA 64 PHE QD 5.09 (#SUP 4.38)
&rst
ixpk= 4, nxpk= 0, iat= 944, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2= 961, 969,
&end
#
# 9 THR HA 63 SER HA 3.78 (#SUP 5.19)
&rst
ixpk= 5, nxpk= 0, iat= 110, 944, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 62 VAL HA 63 SER HA 5.41 (#SUP 5.32)
&rst
ixpk= 5, nxpk= 0, iat= 928, 944, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 9 THR QG2 63 SER HA 4.76 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 114, 115, 116,
&end
#
# 62 VAL QG2 63 SER HA 5.50 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat= -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 936, 937, 938,
&end
#
# 35 LYS HB3 65 ASP HA 3.97 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat= 505, 975, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 19 VAL HB 82 PHE QE 5.50 (#SUP 2.25)
&rst
ixpk= 2, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1229,1233,
&end
#
# 50 ASP HA 51 LYS QB 4.90 (#SUP 4.88)
&rst
ixpk= 4, nxpk= 0, iat= 757, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 771, 772,
&end
#
# 35 LYS H 65 ASP HA 4.49 (#SUP 5.09)
&rst
ixpk= 5, nxpk= 0, iat= 500, 975, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 35 LYS HA 65 ASP HA 4.70 (#SUP 3.58)
&rst
ixpk= 3, nxpk= 0, iat= 502, 975, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 74 ILE HA 75 ASP HA 5.20 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat=1090,1109, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 74 ILE QG2 75 ASP HA 4.25 (#SUP 6.19)
&rst
ixpk= 6, nxpk= 0, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1094,1095,1096,
&end
#
# 17 GLU H 19 VAL HB 4.50 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= 227, 253, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLU QB 84 GLY HA3 4.22 (#SUP 1.74)
&rst
ixpk= 1, nxpk= 0, iat= -1,1260, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1208,1209,
&end
#
# 74 ILE H 75 ASP HA 5.19 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat=1088,1109, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 24 VAL HB 26 GLU H 5.39 (#SUP 2.69)
&rst
ixpk= 2, nxpk= 0, iat= 323, 342, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 24 VAL H 24 VAL HB 3.28 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat= 319, 323, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 7 ASN HB2 96 PRO QB 4.48 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1464,1465,
&end
#
# 74 ILE QD1 90 SER HA 3.95 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1101,1102,1103,
&end
#
# 74 ILE QG2 90 SER HA 4.35 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1094,1095,1096,
&end
#
# 7 ASN H 94 ARG QB 3.91 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1413,1414,
&end
#
# 94 ARG QB 94 ARG QD 4.21 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1413,1414,
igr2=1419,1420,
&end
#
# 7 ASN HB3 94 ARG QB 3.99 (#SUP 1.26)
&rst
ixpk= 1, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1413,1414,
&end
#
# 57 LYS HA 57 LYS QE 4.62 (#SUP 4.72)
&rst
ixpk= 4, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 871, 872,
&end
#
# 57 LYS HA 57 LYS QD 4.15 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 868, 869,
&end
#
# 4 MET HA 5 SER H 3.16 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat= 42, 57, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 4 MET HA 4 MET QG 3.96 (#SUP 1.36)
&rst
ixpk= 1, nxpk= 0, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 47, 48,
&end
#
# 82 PHE QD 83 HIS HA 5.01 (#SUP 5.90)
&rst
ixpk= 5, nxpk= 0, iat= -1,1241, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1=1227,1235,
&end
#
# 67 PRO HD2 68 PRO QB 4.76 (#SUP 3.61)
&rst
ixpk= 3, nxpk= 0, iat= 998, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1018,1019,
&end
#
# 44 MET HB2 63 SER HB3 4.99 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= 655, 947, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 44 MET HB2 63 SER HA 5.27 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 655, 944, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 44 MET HB3 63 SER HB3 4.32 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat= 656, 947, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 44 MET HB3 62 VAL QG2 4.24 (#SUP 4.52)
&rst
ixpk= 4, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 936, 937, 938,
&end
#
# 33 ILE H 34 ILE H 4.81 (#SUP 7.17)
&rst
ixpk= 7, nxpk= 0, iat= 462, 481, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 34 ILE H 64 PHE QE 5.50 (#SUP 1.85)
&rst
ixpk= 1, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 963, 967,
&end
#
# 33 ILE HA 34 ILE H 3.03 (#SUP 9.32)
&rst
ixpk= 9, nxpk= 0, iat= 464, 481, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 33 ILE HB 34 ILE H 4.79 (#SUP 7.50)
&rst
ixpk= 7, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 34 ILE H 34 ILE HB 3.13 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 33 ILE HG13 34 ILE H 4.80 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat= 473, 481, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 33 ILE QG2 34 ILE H 3.81 (#SUP 8.25)
&rst
ixpk= 8, nxpk= 0, iat= -1, 481, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 468, 469, 470,
&end
#
# 34 ILE H 34 ILE QD1 4.19 (#SUP 7.28)
&rst
ixpk= 7, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 494, 495, 496,
&end
#
# 34 ILE H 34 ILE QG1 4.34 (#SUP 7.14)
&rst
ixpk= 7, nxpk= 0, iat= 481, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 491, 492,
&end
#
# 35 LYS H 64 PHE HA 3.97 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= 500, 955, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 34 ILE HA 35 LYS H 3.56 (#SUP 4.90)
&rst
ixpk= 4, nxpk= 0, iat= 483, 500, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 35 LYS H 65 ASP HB3 5.50 (#SUP 3.24)
&rst
ixpk= 3, nxpk= 0, iat= 500, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 ILE QG1 35 LYS H 5.50 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 491, 492,
&end
#
# 35 LYS H 62 VAL QG2 5.50 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 37 ASN HB2 38 LYS H 5.10 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= 540, 550, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 35 LYS QE 38 LYS H 5.50 (#SUP 0.62)
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 513, 514,
&end
#
# 11 PHE H 12 VAL H 5.12 (#SUP 5.63)
&rst
ixpk= 5, nxpk= 0, iat= 141, 161, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 12 VAL H 62 VAL H 5.50 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 161, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL H 12 VAL QG1 4.70 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 167, 168, 169,
&end
#
# 12 VAL H 60 ALA H 3.66 (#SUP 9.49)
&rst
ixpk= 9, nxpk= 0, iat= 161, 902, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 12 VAL H 12 VAL HB 3.82 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat= 161, 165, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 38 LYS H 39 LYS H 3.67 (#SUP 8.67)
&rst
ixpk= 8, nxpk= 0, iat= 550, 572, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 38 LYS H 39 LYS HG2 4.11 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 550, 579, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 75 ASP HB3 76 TRP HE1 5.50 (#SUP 3.46)
&rst
ixpk= 3, nxpk= 0, iat=1112,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ALA QB 76 TRP HE1 5.50 (#SUP 1.08)
&rst
ixpk= 1, nxpk= 0, iat= -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1072,1073,1074,
&end
#
# 12 VAL H 60 ALA HA 5.50 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 161, 904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HB3 12 VAL H 4.89 (#SUP 5.26)
&rst
ixpk= 5, nxpk= 0, iat= 146, 161, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 12 VAL H 61 THR HA 4.49 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 161, 914, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 11 PHE HA 12 VAL H 3.25 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 143, 161, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 12 VAL H 61 THR HB 5.50 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= 161, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HB2 12 VAL H 5.11 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= 145, 161, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 12 VAL H 12 VAL QG2 4.19 (#SUP 6.75)
&rst
ixpk= 6, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 171, 172, 173,
&end
#
# 12 VAL H 62 VAL QG1 5.50 (#SUP 5.63)
&rst
ixpk= 5, nxpk= 0, iat= 161, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 51 LYS H 53 THR H 4.97 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat= 767, 801, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 51 LYS H 52 ASP HA 5.10 (#SUP 6.59)
&rst
ixpk= 6, nxpk= 0, iat= 767, 791, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 50 ASP HA 51 LYS H 3.02 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= 757, 767, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 50 ASP HB2 51 LYS H 4.95 (#SUP 6.72)
&rst
ixpk= 6, nxpk= 0, iat= 759, 767, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 51 LYS H 51 LYS QE 5.50 (#SUP 5.29)
&rst
ixpk= 5, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 780, 781,
&end
#
# 50 ASP HB3 51 LYS H 4.59 (#SUP 5.93)
&rst
ixpk= 5, nxpk= 0, iat= 760, 767, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 51 LYS H 51 LYS QB 3.35 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2= 771, 772,
&end
#
# 51 LYS H 51 LYS QD 4.53 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 777, 778,
&end
#
# 51 LYS H 51 LYS QG 4.05 (#SUP 6.45)
&rst
ixpk= 6, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 774, 775,
&end
#
# 96 PRO HA 97 GLU H 2.87 (#SUP 3.31)
&rst
ixpk= 3, nxpk= 0, iat=1467,1471, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 96 PRO HD2 97 GLU H 5.50 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat=1458,1471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 PRO QB 97 GLU H 3.98 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= -1,1471, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1464,1465,
&end
#
# 96 PRO HD3 97 GLU H 5.18 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat=1459,1471, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 79 GLY HA3 89 VAL H 5.50 (#SUP 3.28)
&rst
ixpk= 3, nxpk= 0, iat=1178,1338, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 GLY H 89 VAL H 4.19 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat=1175,1338, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 88 LYS H 89 VAL H 4.95 (#SUP 6.92)
&rst
ixpk= 6, nxpk= 0, iat=1316,1338, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 78 ASP H 89 VAL H 5.15 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat=1163,1338, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 88 LYS HA 89 VAL H 3.10 (#SUP 7.05)
&rst
ixpk= 7, nxpk= 0, iat=1318,1338, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 78 ASP HA 89 VAL H 3.90 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat=1165,1338, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 74 ILE HA 89 VAL H 5.31 (#SUP 3.50)
&rst
ixpk= 3, nxpk= 0, iat=1090,1338, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 78 ASP HB2 89 VAL H 5.06 (#SUP 4.15)
&rst
ixpk= 4, nxpk= 0, iat=1167,1338, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 89 VAL H 89 VAL HB 4.00 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat=1338,1342, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 88 LYS HB2 89 VAL H 4.19 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat=1320,1338, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 88 LYS QD 89 VAL H 4.98 (#SUP 5.47)
&rst
ixpk= 5, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1=1326,1327,
&end
#
# 88 LYS HB3 89 VAL H 4.14 (#SUP 6.11)
&rst
ixpk= 6, nxpk= 0, iat=1321,1338, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 89 VAL H 89 VAL QG2 4.23 (#SUP 6.15)
&rst
ixpk= 6, nxpk= 0, iat=1338, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1348,1349,1350,
&end
#
# 74 ILE QG2 89 VAL H 5.50 (#SUP 5.42)
&rst
ixpk= 5, nxpk= 0, iat= -1,1338, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1094,1095,1096,
&end
#
# 46 ASN H 46 ASN HD21 5.50 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= 687, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 ILE HA 46 ASN H 3.23 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 670, 687, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 46 ASN H 60 ALA QB 5.23 (#SUP 2.03)
&rst
ixpk= 2, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 906, 907, 908,
&end
#
# 82 PHE QE 83 HIS H 5.50 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1229,1233,
&end
#
# 82 PHE HA 83 HIS H 3.12 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat=1221,1239, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 82 PHE HB3 83 HIS H 4.64 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat=1224,1239, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 81 GLU QB 83 HIS H 5.50 (#SUP 3.84)
&rst
ixpk= 3, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1208,1209,
&end
#
# 83 HIS H 87 ILE QG2 5.50 (#SUP 2.61)
&rst
ixpk= 2, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1303,1304,1305,
&end
#
# 44 MET H 62 VAL QG2 5.50 (#SUP 4.39)
&rst
ixpk= 4, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 36 THR H 44 MET H 5.50 (#SUP 2.17)
&rst
ixpk= 2, nxpk= 0, iat= 522, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 MET H 63 SER H 5.50 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= 651, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 PRO HA 44 MET H 3.20 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 36 THR HA 44 MET H 3.83 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat= 524, 651, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 44 MET H 44 MET QG 4.06 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat= 651, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 658, 659,
&end
#
# 43 PRO HB2 44 MET H 4.08 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 644, 651, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 44 MET H 44 MET HB3 3.74 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 651, 656, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 34 ILE QG2 44 MET H 4.02 (#SUP 2.51)
&rst
ixpk= 2, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 487, 488, 489,
&end
#
# 46 ASN H 62 VAL HA 4.66 (#SUP 3.39)
&rst
ixpk= 3, nxpk= 0, iat= 687, 928, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 45 ILE HB 46 ASN H 4.40 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 672, 687, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 45 ILE QD1 46 ASN H 4.67 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 681, 682, 683,
&end
#
# 46 ASN H 62 VAL QG2 5.50 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 45 ILE H 62 VAL QG1 5.50 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 45 ILE H 62 VAL QG2 5.50 (#SUP 5.83)
&rst
ixpk= 5, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 44 MET H 45 ILE H 4.57 (#SUP 9.10)
&rst
ixpk= 9, nxpk= 0, iat= 651, 668, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 45 ILE H 46 ASN H 4.77 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 668, 687, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 43 PRO HA 45 ILE H 5.50 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 647, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 MET HA 45 ILE H 3.06 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= 653, 668, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 43 PRO QG 45 ILE H 4.62 (#SUP 7.38)
&rst
ixpk= 7, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 641, 642,
&end
#
# 42 LYS QB 45 ILE H 4.95 (#SUP 1.62)
&rst
ixpk= 1, nxpk= 0, iat= -1, 668, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 619, 620,
&end
#
# 45 ILE H 45 ILE HB 3.49 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= 668, 672, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 45 ILE H 45 ILE QG1 4.06 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 678, 679,
&end
#
# 45 ILE H 45 ILE QG2 4.46 (#SUP 6.41)
&rst
ixpk= 6, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 674, 675, 676,
&end
#
# 44 MET HB3 45 ILE H 5.50 (#SUP 5.92)
&rst
ixpk= 5, nxpk= 0, iat= 656, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 PHE H 83 HIS H 5.09 (#SUP 7.03)
&rst
ixpk= 7, nxpk= 0, iat=1219,1239, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 82 PHE H 87 ILE H 4.87 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1219,1297, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 82 PHE H 87 ILE QG2 4.44 (#SUP 7.68)
&rst
ixpk= 7, nxpk= 0, iat=1219, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2=1303,1304,1305,
&end
#
# 81 GLU HA 82 PHE H 3.19 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat=1206,1219, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 82 PHE H 85 ASN HB3 4.96 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat=1219,1269, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 82 PHE H 82 PHE HB3 4.03 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat=1219,1224, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 81 GLU QB 82 PHE H 4.11 (#SUP 5.21)
&rst
ixpk= 5, nxpk= 0, iat= -1,1219, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1208,1209,
&end
#
# 37 ASN H 44 MET H 4.31 (#SUP 2.98)
&rst
ixpk= 2, nxpk= 0, iat= 536, 651, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 37 ASN H 42 LYS H 4.19 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 536, 615, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 36 THR HA 37 ASN H 3.08 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat= 524, 536, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 37 ASN H 37 ASN HB2 3.51 (#SUP 3.55)
&rst
ixpk= 3, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 37 ASN H 41 GLY H 4.39 (#SUP 6.99)
&rst
ixpk= 6, nxpk= 0, iat= 536, 608, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 37 ASN H 37 ASN HB3 3.43 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= 536, 541, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 11 PHE HB3 92 ALA H 5.50 (#SUP 5.91)
&rst
ixpk= 5, nxpk= 0, iat= 146,1385, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE H 92 ALA H 4.47 (#SUP 6.97)
&rst
ixpk= 6, nxpk= 0, iat= 141,1385, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 10 ILE HA 92 ALA H 3.73 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 124,1385, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 91 PHE HA 92 ALA H 3.30 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat=1367,1385, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 91 PHE HB2 92 ALA H 4.22 (#SUP 5.78)
&rst
ixpk= 5, nxpk= 0, iat=1369,1385, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 10 ILE QG2 92 ALA H 5.48 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr1= 128, 129, 130,
&end
#
# 74 ILE QD1 92 ALA H 5.50 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat= -1,1385, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1101,1102,1103,
&end
#
# 7 ASN H 95 ARG H 3.91 (#SUP 5.14)
&rst
ixpk= 5, nxpk= 0, iat= 80,1433, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 94 ARG HA 95 ARG H 2.84 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat=1411,1433, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 7 ASN HD22 95 ARG H 5.50 (#SUP 1.21)
&rst
ixpk= 1, nxpk= 0, iat= 90,1433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 ARG QD 95 ARG H 4.81 (#SUP 2.60)
&rst
ixpk= 2, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1419,1420,
&end
#
# 94 ARG QB 95 ARG H 3.29 (#SUP 2.82)
&rst
ixpk= 2, nxpk= 0, iat= -1,1433, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr1=1413,1414,
&end
#
# 50 ASP H 56 PRO HA 3.37 (#SUP 7.27)
&rst
ixpk= 7, nxpk= 0, iat= 755, 854, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 50 ASP H 50 ASP HB3 3.33 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= 755, 760, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 47 LEU H 48 TYR H 4.70 (#SUP 4.81)
&rst
ixpk= 4, nxpk= 0, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 46 ASN HA 47 LEU H 3.01 (#SUP 2.58)
&rst
ixpk= 2, nxpk= 0, iat= 689, 701, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 46 ASN QB 47 LEU H 4.04 (#SUP 2.26)
&rst
ixpk= 2, nxpk= 0, iat= -1, 701, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 691, 692,
&end
#
# 47 LEU H 60 ALA QB 5.50 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 906, 907, 908,
&end
#
# 47 LEU H 47 LEU QQD 4.63 (#SUP 3.56)
&rst
ixpk= 3, nxpk= 0, iat= 701, 707, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 49 THR H 50 ASP H 4.44 (#SUP 4.39)
&rst
ixpk= 4, nxpk= 0, iat= 741, 755, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 50 ASP H 57 LYS H 3.97 (#SUP 9.30)
&rst
ixpk= 9, nxpk= 0, iat= 755, 858, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 49 THR HA 50 ASP H 3.21 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 50 ASP H 57 LYS QB 4.89 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 862, 863,
&end
#
# 50 ASP H 57 LYS QD 4.44 (#SUP 8.82)
&rst
ixpk= 8, nxpk= 0, iat= 755, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 868, 869,
&end
#
# 49 THR QG2 50 ASP H 4.12 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 747, 748, 749,
&end
#
# 11 PHE H 11 PHE QD 5.50 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 149, 157,
&end
#
# 10 ILE HA 11 PHE H 3.38 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 11 PHE H 89 VAL HA 5.15 (#SUP 3.21)
&rst
ixpk= 3, nxpk= 0, iat= 141,1340, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 11 PHE H 91 PHE HA 4.60 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat= 141,1367, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 11 PHE H 92 ALA HA 4.89 (#SUP 4.58)
&rst
ixpk= 4, nxpk= 0, iat= 141,1387, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 11 PHE H 90 SER HB2 5.50 (#SUP 1.49)
&rst
ixpk= 1, nxpk= 0, iat= 141,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE H 11 PHE HB2 3.86 (#SUP 6.95)
&rst
ixpk= 6, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 11 PHE H 11 PHE HB3 3.96 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat= 141, 146, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 10 ILE HB 11 PHE H 3.74 (#SUP 6.58)
&rst
ixpk= 6, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 11 PHE H 61 THR QG2 5.50 (#SUP 6.25)
&rst
ixpk= 6, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 11 PHE H 92 ALA QB 4.68 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1389,1390,1391,
&end
#
# 11 PHE H 89 VAL QG1 5.23 (#SUP 6.62)
&rst
ixpk= 6, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2=1344,1345,1346,
&end
#
# 10 ILE QG2 11 PHE H 4.44 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 128, 129, 130,
&end
#
# 11 PHE H 12 VAL QG2 5.50 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 171, 172, 173,
&end
#
# 10 ILE QD1 11 PHE H 5.34 (#SUP 7.30)
&rst
ixpk= 7, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1= 135, 136, 137,
&end
#
# 11 PHE H 74 ILE QD1 5.50 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1101,1102,1103,
&end
#
# 82 PHE H 86 ILE H 5.50 (#SUP 3.67)
&rst
ixpk= 3, nxpk= 0, iat=1219,1278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 85 ASN HA 86 ILE H 3.09 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat=1266,1278, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 86 ILE H 86 ILE HB 3.19 (#SUP 7.20)
&rst
ixpk= 7, nxpk= 0, iat=1278,1282, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 86 ILE H 86 ILE HG12 3.82 (#SUP 6.70)
&rst
ixpk= 6, nxpk= 0, iat=1278,1288, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 86 ILE H 86 ILE HG13 3.77 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat=1278,1289, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 86 ILE H 86 ILE QG2 4.03 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat=1278, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1284,1285,1286,
&end
#
# 14 GLY HA3 86 ILE H 5.50 (#SUP 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 197,1278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR H 58 GLY H 5.50 (#SUP 3.90)
&rst
ixpk= 3, nxpk= 0, iat= 720, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR H 60 ALA HA 4.01 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 720, 904, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 47 LEU HA 48 TYR H 2.95 (#SUP 3.98)
&rst
ixpk= 3, nxpk= 0, iat= 703, 720, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 48 TYR H 48 TYR HB2 3.92 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 48 TYR H 48 TYR HB3 3.74 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= 720, 725, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 LEU QB 48 TYR H 4.15 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 705, 706,
&end
#
# 47 LEU QQD 48 TYR H 4.70 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= 707, 720, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, &end
#
# 48 TYR H 49 THR H 4.51 (#SUP 5.66)
&rst
ixpk= 5, nxpk= 0, iat= 720, 741, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 48 TYR H 57 LYS QB 5.49 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr2= 862, 863,
&end
#
# 64 PHE H 65 ASP HA 5.50 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat= 953, 975, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL HA 60 ALA H 5.11 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat= 163, 902, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end
#
# 62 VAL QG2 64 PHE H 5.50 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 936, 937, 938,
&end
#
# 64 PHE H 65 ASP H 5.04 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat= 953, 973, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 63 SER HA 64 PHE H 3.35 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= 944, 953, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 63 SER HB2 64 PHE H 4.22 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat= 946, 953, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 8 ASN HB2 64 PHE H 4.35 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat= 98, 953, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 64 PHE H 64 PHE HB2 4.10 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 953, 957, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 64 PHE H 64 PHE HB3 3.83 (#SUP 6.10)
&rst
ixpk= 6, nxpk= 0, iat= 953, 958, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 8 ASN HB3 64 PHE H 4.88 (#SUP 2.65)
&rst
ixpk= 2, nxpk= 0, iat= 99, 953, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 9 THR QG2 64 PHE H 5.50 (#SUP 3.88)
&rst
ixpk= 3, nxpk= 0, iat= -1, 953, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 59 GLU H 60 ALA H 4.53 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat= 887, 902, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 59 GLU HA 60 ALA H 3.18 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= 889, 902, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 12 VAL HB 60 ALA H 4.67 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= 165, 902, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 VAL QG1 60 ALA H 4.71 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 167, 168, 169,
&end
#
# 60 ALA H 61 THR H 5.30 (#SUP 3.15)
&rst
ixpk= 3, nxpk= 0, iat= 902, 912, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 48 TYR QE 60 ALA H 5.50 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 730, 735,
&end
#
# 59 GLU QG 60 ALA H 4.77 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat= -1, 902, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr1= 894, 895,
&end
#
# 59 GLU HB2 60 ALA H 4.19 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat= 891, 902, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 59 GLU HB3 60 ALA H 4.51 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat= 892, 902, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 13 GLN H 14 GLY HA3 5.50 (#SUP 3.59)
&rst
ixpk= 3, nxpk= 0, iat= 177, 197, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 VAL H 13 GLN H 5.31 (#SUP 4.91)
&rst
ixpk= 4, nxpk= 0, iat= 161, 177, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 13 GLN H 88 LYS H 3.85 (#SUP 9.71)
&rst
ixpk= 9, nxpk= 0, iat= 177,1316, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 13 GLN H 13 GLN HE22 5.50 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat= 177, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLN H 87 ILE HA 5.00 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat= 177,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 12 VAL HA 13 GLN H 3.17 (#SUP 4.77)
&rst
ixpk= 4, nxpk= 0, iat= 163, 177, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 13 GLN H 13 GLN QG 4.77 (#SUP 6.36)
&rst
ixpk= 6, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 184, 185,
&end
#
# 13 GLN H 13 GLN QB 3.90 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 181, 182,
&end
#
# 12 VAL QG1 13 GLN H 4.11 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 167, 168, 169,
&end
#
# 13 GLN H 87 ILE QD1 4.38 (#SUP 7.72)
&rst
ixpk= 7, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2=1310,1311,1312,
&end
#
# 13 GLN H 89 VAL QG2 5.48 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
igr2=1348,1349,1350,
&end
#
# 66 ASP H 70 ALA H 5.50 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= 985,1036, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 ALA H 71 LYS H 3.65 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=1036,1046, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 69 SER HB2 70 ALA H 4.26 (#SUP 4.43)
&rst
ixpk= 4, nxpk= 0, iat=1029,1036, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 69 SER HB3 70 ALA H 4.78 (#SUP 5.16)
&rst
ixpk= 5, nxpk= 0, iat=1030,1036, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 64 PHE HB3 70 ALA H 4.98 (#SUP 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 958,1036, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 70 ALA H 71 LYS HB2 5.45 (#SUP 4.14)
&rst
ixpk= 4, nxpk= 0, iat=1036,1050, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 70 ALA H 70 ALA QB 3.60 (#SUP 5.07)
&rst
ixpk= 5, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1040,1041,1042,
&end
#
# 70 ALA H 72 ALA QB 5.50 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 81 GLU H 87 ILE H 5.50 (#SUP 6.26)
&rst
ixpk= 6, nxpk= 0, iat=1204,1297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLU HA 87 ILE H 4.33 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat=1206,1297, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 86 ILE HA 87 ILE H 3.27 (#SUP 6.97)
&rst
ixpk= 6, nxpk= 0, iat=1280,1297, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 86 ILE QG2 87 ILE H 3.98 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat= -1,1297, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1=1284,1285,1286,
&end
#
# 87 ILE H 87 ILE QG2 4.05 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat=1297, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1303,1304,1305,
&end
#
# 80 LYS H 87 ILE H 5.28 (#SUP 2.81)
&rst
ixpk= 2, nxpk= 0, iat=1182,1297, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 14 GLY HA3 88 LYS H 5.29 (#SUP 4.32)
&rst
ixpk= 4, nxpk= 0, iat= 197,1316, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 87 ILE H 88 LYS H 5.43 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat=1297,1316, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 5 SER HA 6 ASP H 2.97 (#SUP 3.17)
&rst
ixpk= 3, nxpk= 0, iat= 59, 68, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 6 ASP H 6 ASP QB 3.16 (#SUP 2.59)
&rst
ixpk= 2, nxpk= 0, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 72, 73,
&end
#
# 13 GLN QB 88 LYS H 4.09 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 181, 182,
&end
#
# 12 VAL HA 88 LYS H 4.50 (#SUP 6.66)
&rst
ixpk= 6, nxpk= 0, iat= 163,1316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 88 LYS H 88 LYS HB2 3.68 (#SUP 6.90)
&rst
ixpk= 6, nxpk= 0, iat=1316,1320, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 87 ILE QD1 88 LYS H 4.56 (#SUP 7.55)
&rst
ixpk= 7, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1310,1311,1312,
&end
#
# 62 VAL H 63 SER H 5.50 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat= 926, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR HA 63 SER H 5.50 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat= 110, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 VAL HA 63 SER H 3.17 (#SUP 7.16)
&rst
ixpk= 7, nxpk= 0, iat= 928, 942, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 44 MET HB3 63 SER H 4.75 (#SUP 4.96)
&rst
ixpk= 4, nxpk= 0, iat= 656, 942, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 62 VAL HB 63 SER H 5.10 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 62 VAL QG1 63 SER H 4.85 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 932, 933, 934,
&end
#
# 62 VAL QG2 63 SER H 4.09 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 936, 937, 938,
&end
#
# 63 SER H 64 PHE H 4.85 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat= 942, 953, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 63 SER H 64 PHE HA 5.46 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat= 942, 955, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 63 SER H 63 SER HB2 3.73 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 942, 946, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 44 MET QG 63 SER H 5.50 (#SUP 1.50)
&rst
ixpk= 1, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 658, 659,
&end
#
# 9 THR QG2 63 SER H 5.50 (#SUP 7.64)
&rst
ixpk= 7, nxpk= 0, iat= -1, 942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 114, 115, 116,
&end
#
# 50 ASP HB2 55 LYS H 4.13 (#SUP 2.53)
&rst
ixpk= 2, nxpk= 0, iat= 759, 822, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 22 ASP H 23 GLN QB 4.56 (#SUP 3.38)
&rst
ixpk= 3, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 306, 307,
&end
#
# 56 PRO HG2 57 LYS H 5.50 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= 848, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER HB3 73 ALA H 5.50 (#SUP 3.13)
&rst
ixpk= 3, nxpk= 0, iat=1030,1078, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 VAL H 82 PHE QE 5.50 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1229,1233,
&end
#
# 24 VAL H 25 GLY H 3.62 (#SUP 6.91)
&rst
ixpk= 6, nxpk= 0, iat= 319, 335, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 GLN H 24 VAL H 3.67 (#SUP 6.05)
&rst
ixpk= 6, nxpk= 0, iat= 302, 319, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 51 LYS HA 55 LYS H 4.50 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 769, 822, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 GLN HG2 24 VAL H 3.90 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat= 309, 319, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 24 VAL H 24 VAL QG1 3.45 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= 319, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 325, 326, 327,
&end
#
# 35 LYS H 65 ASP H 4.17 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat= 500, 973, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 65 ASP H 66 ASP H 3.58 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat= 973, 985, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 64 PHE HA 65 ASP H 3.37 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 955, 973, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 64 PHE HB2 65 ASP H 4.04 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 957, 973, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 65 ASP H 65 ASP HB3 3.43 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= 973, 978, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 33 ILE HB 65 ASP H 5.35 (#SUP 3.58)
&rst
ixpk= 3, nxpk= 0, iat= 466, 973, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 64 PHE HB3 65 ASP H 3.49 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= 958, 973, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 65 ASP H 65 ASP HB2 3.19 (#SUP 4.29)
&rst
ixpk= 4, nxpk= 0, iat= 973, 977, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 57 LYS H 58 GLY HA3 5.50 (#SUP 4.08)
&rst
ixpk= 4, nxpk= 0, iat= 858, 883, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 THR HB 57 LYS H 5.50 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 745, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 THR HA 57 LYS H 4.09 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat= 743, 858, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 57 LYS H 57 LYS QD 4.36 (#SUP 7.01)
&rst
ixpk= 7, nxpk= 0, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 868, 869,
&end
#
# 73 ALA H 74 ILE H 3.81 (#SUP 7.14)
&rst
ixpk= 7, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 71 LYS H 73 ALA H 5.41 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat=1046,1078, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 70 ALA HA 73 ALA H 4.41 (#SUP 5.40)
&rst
ixpk= 5, nxpk= 0, iat=1038,1078, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 31 ILE QG2 73 ALA H 4.38 (#SUP 3.26)
&rst
ixpk= 3, nxpk= 0, iat= -1,1078, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 442, 443, 444,
&end
#
# 73 ALA H 74 ILE QG1 4.54 (#SUP 6.29)
&rst
ixpk= 6, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1098,1099,
&end
#
# 73 ALA H 74 ILE QD1 5.50 (#SUP 5.71)
&rst
ixpk= 5, nxpk= 0, iat=1078, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1101,1102,1103,
&end
#
# 71 LYS HA 73 ALA H 5.47 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat=1048,1078, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 91 PHE H 91 PHE QD 3.80 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1373,1381,
&end
#
# 91 PHE H 91 PHE HB2 3.75 (#SUP 5.86)
&rst
ixpk= 5, nxpk= 0, iat=1365,1369, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 91 PHE H 91 PHE HB3 3.44 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat=1365,1370, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 69 SER HA 73 ALA H 4.89 (#SUP 3.61)
&rst
ixpk= 3, nxpk= 0, iat=1027,1078, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 62 VAL H 62 VAL QG2 5.19 (#SUP 6.08)
&rst
ixpk= 6, nxpk= 0, iat= 926, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 936, 937, 938,
&end
#
# 10 ILE H 62 VAL H 4.21 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 122, 926, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 61 THR HB 62 VAL H 3.79 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 10 ILE QD1 62 VAL H 5.10 (#SUP 6.97)
&rst
ixpk= 6, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 135, 136, 137,
&end
#
# 11 PHE HA 62 VAL H 4.97 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= 143, 926, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 62 VAL H 62 VAL HB 3.82 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat= 926, 930, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 9 THR QG2 62 VAL H 4.19 (#SUP 9.10)
&rst
ixpk= 9, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 114, 115, 116,
&end
#
# 39 LYS H 42 LYS H 5.50 (#SUP 3.54)
&rst
ixpk= 3, nxpk= 0, iat= 572, 615, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LYS H 43 PRO HA 5.50 (#SUP 3.65)
&rst
ixpk= 3, nxpk= 0, iat= 615, 647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 LYS H 42 LYS QB 3.77 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat= 615, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 619, 620,
&end
#
# 40 THR QG2 42 LYS H 5.30 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 600, 601, 602,
&end
#
# 42 LYS H 43 PRO HD2 5.50 (#SUP 3.74)
&rst
ixpk= 3, nxpk= 0, iat= 615, 638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ASN HB3 42 LYS H 4.99 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 541, 615, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 90 SER HB2 91 PHE H 3.31 (#SUP 4.18)
&rst
ixpk= 4, nxpk= 0, iat=1358,1365, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 74 ILE QD1 91 PHE H 4.08 (#SUP 8.45)
&rst
ixpk= 8, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1101,1102,1103,
&end
#
# 91 PHE H 92 ALA H 4.83 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=1365,1385, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 90 SER HA 91 PHE H 3.31 (#SUP 3.60)
&rst
ixpk= 3, nxpk= 0, iat=1356,1365, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 90 SER HB3 91 PHE H 3.44 (#SUP 4.18)
&rst
ixpk= 4, nxpk= 0, iat=1359,1365, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 25 GLY H 26 GLU H 3.60 (#SUP 6.68)
&rst
ixpk= 6, nxpk= 0, iat= 335, 342, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 GLU H 27 PHE HB2 5.19 (#SUP 3.34)
&rst
ixpk= 3, nxpk= 0, iat= 342, 361, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 26 GLU H 26 GLU HB2 3.73 (#SUP 5.78)
&rst
ixpk= 5, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 77 PHE HA 80 LYS H 5.15 (#SUP 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1145,1182, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 80 LYS H 80 LYS QG 4.56 (#SUP 3.90)
&rst
ixpk= 3, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1189,1190,
&end
#
# 72 ALA H 73 ALA H 3.73 (#SUP 7.35)
&rst
ixpk= 7, nxpk= 0, iat=1068,1078, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 71 LYS H 72 ALA H 3.56 (#SUP 7.18)
&rst
ixpk= 7, nxpk= 0, iat=1046,1068, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 69 SER HA 72 ALA H 4.13 (#SUP 2.31)
&rst
ixpk= 2, nxpk= 0, iat=1027,1068, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 71 LYS HB2 72 ALA H 4.02 (#SUP 5.56)
&rst
ixpk= 5, nxpk= 0, iat=1050,1068, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 71 LYS HB3 72 ALA H 3.73 (#SUP 6.16)
&rst
ixpk= 6, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 70 ALA QB 72 ALA H 4.47 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1040,1041,1042,
&end
#
# 72 ALA H 72 ALA QB 3.36 (#SUP 5.67)
&rst
ixpk= 5, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1072,1073,1074,
&end
#
# 72 ALA H 74 ILE QG1 5.50 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1098,1099,
&end
#
# 72 ALA H 74 ILE QD1 5.50 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1101,1102,1103,
&end
#
# 19 VAL H 20 SER H 4.64 (#SUP 4.51)
&rst
ixpk= 4, nxpk= 0, iat= 249, 265, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 GLU QG 19 VAL H 5.50 (#SUP 4.60)
&rst
ixpk= 4, nxpk= 0, iat= -1, 249, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 234, 235,
&end
#
# 19 VAL H 19 VAL HB 3.21 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= 249, 253, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 19 VAL H 19 VAL QG2 3.69 (#SUP 6.56)
&rst
ixpk= 6, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 259, 260, 261,
&end
#
# 11 PHE H 90 SER H 3.74 (#SUP 5.95)
&rst
ixpk= 5, nxpk= 0, iat= 141,1354, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 89 VAL HA 90 SER H 3.16 (#SUP 4.25)
&rst
ixpk= 4, nxpk= 0, iat=1340,1354, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 10 ILE HB 90 SER H 4.66 (#SUP 2.74)
&rst
ixpk= 2, nxpk= 0, iat= 126,1354, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 89 VAL QG2 90 SER H 4.84 (#SUP 4.39)
&rst
ixpk= 4, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1=1348,1349,1350,
&end
#
# 89 VAL QG1 90 SER H 3.99 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1=1344,1345,1346,
&end
#
# 12 VAL QG2 90 SER H 5.44 (#SUP 3.75)
&rst
ixpk= 3, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 171, 172, 173,
&end
#
# 74 ILE QG1 90 SER H 5.02 (#SUP 4.01)
&rst
ixpk= 4, nxpk= 0, iat= -1,1354, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1098,1099,
&end
#
# 89 VAL HB 90 SER H 5.28 (#SUP 4.39)
&rst
ixpk= 4, nxpk= 0, iat=1342,1354, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 35 LYS H 36 THR H 4.44 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 35 LYS HA 36 THR H 2.94 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat= 502, 522, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 36 THR H 36 THR HB 3.37 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 35 LYS QG 36 THR H 4.41 (#SUP 6.50)
&rst
ixpk= 6, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 507, 508,
&end
#
# 35 LYS QE 36 THR H 5.32 (#SUP 4.19)
&rst
ixpk= 4, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 513, 514,
&end
#
# 7 ASN H 7 ASN HD21 4.81 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 80, 89, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 6 ASP HA 7 ASN H 2.87 (#SUP 3.23)
&rst
ixpk= 3, nxpk= 0, iat= 70, 80, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 7 ASN H 7 ASN HB2 3.25 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 80, 84, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 7 ASN H 7 ASN HB3 3.30 (#SUP 4.97)
&rst
ixpk= 4, nxpk= 0, iat= 80, 85, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 26 GLU HA 29 LYS H 4.47 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 344, 397, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 25 GLY HA3 29 LYS H 5.41 (#SUP 1.27)
&rst
ixpk= 1, nxpk= 0, iat= 338, 397, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 80 LYS H 88 LYS HA 5.50 (#SUP 3.63)
&rst
ixpk= 3, nxpk= 0, iat=1182,1318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 PHE QB 80 LYS H 5.50 (#SUP 1.54)
&rst
ixpk= 1, nxpk= 0, iat= -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1147,1148,
&end
#
# 80 LYS H 89 VAL QG2 5.50 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat=1182, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1348,1349,1350,
&end
#
# 71 LYS HA 74 ILE H 4.47 (#SUP 5.45)
&rst
ixpk= 5, nxpk= 0, iat=1048,1088, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 70 ALA HA 74 ILE H 5.50 (#SUP 2.30)
&rst
ixpk= 2, nxpk= 0, iat=1038,1088, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 ILE H 74 ILE HB 3.49 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 74 ILE H 89 VAL QG1 5.05 (#SUP 5.25)
&rst
ixpk= 5, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1344,1345,1346,
&end
#
# 74 ILE H 74 ILE QG2 4.20 (#SUP 7.36)
&rst
ixpk= 7, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1094,1095,1096,
&end
#
# 74 ILE H 74 ILE QG1 4.20 (#SUP 7.93)
&rst
ixpk= 7, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2=1098,1099,
&end
#
# 74 ILE H 74 ILE QD1 4.40 (#SUP 8.05)
&rst
ixpk= 8, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1101,1102,1103,
&end
#
# 74 ILE H 75 ASP HB2 5.50 (#SUP 4.85)
&rst
ixpk= 4, nxpk= 0, iat=1088,1111, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 LYS H 30 GLN H 3.74 (#SUP 8.93)
&rst
ixpk= 8, nxpk= 0, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 29 LYS H 32 GLY H 5.50 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= 397, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HB2 29 LYS H 5.15 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat= 381, 397, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 28 PHE HB3 29 LYS H 5.33 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= 382, 397, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 29 LYS H 29 LYS HB2 3.72 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat= 397, 401, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 LYS H 29 LYS HB3 3.69 (#SUP 5.52)
&rst
ixpk= 5, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 29 LYS H 29 LYS QG 4.67 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 404, 405,
&end
#
# 29 LYS H 34 ILE QD1 4.52 (#SUP 2.93)
&rst
ixpk= 2, nxpk= 0, iat= 397, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 494, 495, 496,
&end
#
# 82 PHE H 85 ASN H 3.66 (#SUP 9.85)
&rst
ixpk= 9, nxpk= 0, iat=1219,1264, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 85 ASN H 86 ILE H 4.57 (#SUP 4.61)
&rst
ixpk= 4, nxpk= 0, iat=1264,1278, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 82 PHE QD 85 ASN H 5.50 (#SUP 3.71)
&rst
ixpk= 3, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1227,1235,
&end
#
# 81 GLU QG 85 ASN H 4.94 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1=1211,1212,
&end
#
# 85 ASN H 87 ILE QG2 5.50 (#SUP 2.45)
&rst
ixpk= 2, nxpk= 0, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1303,1304,1305,
&end
#
# 83 HIS H 85 ASN H 5.04 (#SUP 5.24)
&rst
ixpk= 5, nxpk= 0, iat=1239,1264, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 84 GLY H 85 ASN H 3.63 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat=1257,1264, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 81 GLU HA 85 ASN H 4.60 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat=1206,1264, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 82 PHE HA 85 ASN H 5.14 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat=1221,1264, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 83 HIS HA 85 ASN H 5.22 (#SUP 4.21)
&rst
ixpk= 4, nxpk= 0, iat=1241,1264, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 85 ASN H 85 ASN HB3 3.53 (#SUP 3.27)
&rst
ixpk= 3, nxpk= 0, iat=1264,1269, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 81 GLU QB 85 ASN H 4.54 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1208,1209,
&end
#
# 7 ASN HA 8 ASN H 3.04 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat= 82, 94, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 7 ASN HB2 8 ASN H 4.52 (#SUP 6.03)
&rst
ixpk= 6, nxpk= 0, iat= 84, 94, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 8 ASN H 8 ASN HB3 3.85 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 94, 99, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 9 THR H 10 ILE H 5.50 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 108, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR HA 10 ILE H 3.46 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= 110, 122, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 10 ILE H 10 ILE QG1 3.72 (#SUP 5.65)
&rst
ixpk= 5, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 132, 133,
&end
#
# 10 ILE H 62 VAL QG2 5.50 (#SUP 6.06)
&rst
ixpk= 6, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 936, 937, 938,
&end
#
# 10 ILE H 63 SER H 5.50 (#SUP 8.65)
&rst
ixpk= 8, nxpk= 0, iat= 122, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE H 62 VAL HA 5.50 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat= 122, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE H 63 SER HB2 5.50 (#SUP 4.20)
&rst
ixpk= 4, nxpk= 0, iat= 122, 946, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ILE H 61 THR QG2 5.50 (#SUP 7.71)
&rst
ixpk= 7, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 9 THR QG2 10 ILE H 3.90 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 114, 115, 116,
&end
#
# 10 ILE H 62 VAL QG1 5.50 (#SUP 8.81)
&rst
ixpk= 8, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 932, 933, 934,
&end
#
# 9 THR H 63 SER HA 5.50 (#SUP 2.83)
&rst
ixpk= 2, nxpk= 0, iat= 108, 944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HB2 9 THR H 5.50 (#SUP 4.57)
&rst
ixpk= 4, nxpk= 0, iat= 98, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR H 92 ALA QB 5.18 (#SUP 2.81)
&rst
ixpk= 2, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr2=1389,1390,1391,
&end
#
# 7 ASN HD22 9 THR H 5.50 (#SUP 3.69)
&rst
ixpk= 3, nxpk= 0, iat= 90, 108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 THR H 9 THR HB 3.39 (#SUP 4.35)
&rst
ixpk= 4, nxpk= 0, iat= 108, 112, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 7 ASN HB2 9 THR H 5.48 (#SUP 2.08)
&rst
ixpk= 2, nxpk= 0, iat= 84, 108, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 8 ASN HB3 9 THR H 4.84 (#SUP 4.98)
&rst
ixpk= 4, nxpk= 0, iat= 99, 108, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 9 THR H 70 ALA QB 5.02 (#SUP 1.78)
&rst
ixpk= 1, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1040,1041,1042,
&end
#
# 9 THR H 9 THR QG2 4.52 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 114, 115, 116,
&end
#
# 9 THR H 10 ILE QG2 5.50 (#SUP 4.93)
&rst
ixpk= 4, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 128, 129, 130,
&end
#
# 23 GLN H 25 GLY H 4.91 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= 302, 335, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 20 SER H 20 SER HB3 3.95 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= 265, 270, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 21 THR HB 23 GLN H 4.52 (#SUP 3.04)
&rst
ixpk= 3, nxpk= 0, iat= 280, 302, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 22 ASP HB2 23 GLN H 4.22 (#SUP 5.11)
&rst
ixpk= 5, nxpk= 0, iat= 294, 302, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 23 GLN H 23 GLN HG2 3.17 (#SUP 5.54)
&rst
ixpk= 5, nxpk= 0, iat= 302, 309, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 23 GLN H 23 GLN QB 3.47 (#SUP 5.63)
&rst
ixpk= 5, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 306, 307,
&end
#
# 19 VAL QG1 20 SER H 3.81 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat= -1, 265, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 255, 256, 257,
&end
#
# 20 SER H 24 VAL QG1 3.90 (#SUP 5.74)
&rst
ixpk= 5, nxpk= 0, iat= 265, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 325, 326, 327,
&end
#
# 19 VAL HA 20 SER H 2.94 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 251, 265, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 21 THR QG2 23 GLN H 5.50 (#SUP 5.59)
&rst
ixpk= 5, nxpk= 0, iat= -1, 302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 282, 283, 284,
&end
#
# 25 GLY H 27 PHE H 5.16 (#SUP 6.37)
&rst
ixpk= 6, nxpk= 0, iat= 335, 357, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 26 GLU H 27 PHE H 3.57 (#SUP 7.25)
&rst
ixpk= 7, nxpk= 0, iat= 342, 357, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 27 PHE H 28 PHE H 3.64 (#SUP 6.01)
&rst
ixpk= 6, nxpk= 0, iat= 357, 377, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 27 PHE H 82 PHE QE 5.01 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1229,1233,
&end
#
# 24 VAL HA 27 PHE H 4.25 (#SUP 6.53)
&rst
ixpk= 6, nxpk= 0, iat= 321, 357, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 27 PHE H 27 PHE HB2 3.47 (#SUP 7.60)
&rst
ixpk= 7, nxpk= 0, iat= 357, 361, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 27 PHE H 27 PHE HB3 3.50 (#SUP 4.63)
&rst
ixpk= 4, nxpk= 0, iat= 357, 362, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 GLU QG 27 PHE H 4.62 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 349, 350,
&end
#
# 26 GLU HB2 27 PHE H 3.82 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 346, 357, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 24 VAL QG2 27 PHE H 5.32 (#SUP 5.12)
&rst
ixpk= 5, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
igr1= 329, 330, 331,
&end
#
# 74 ILE QG1 75 ASP H 4.88 (#SUP 6.88)
&rst
ixpk= 6, nxpk= 0, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1098,1099,
&end
#
# 74 ILE QD1 75 ASP H 5.07 (#SUP 6.18)
&rst
ixpk= 6, nxpk= 0, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1101,1102,1103,
&end
#
# 77 PHE H 78 ASP H 3.42 (#SUP 3.84)
&rst
ixpk= 3, nxpk= 0, iat=1143,1163, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 78 ASP H 78 ASP HB2 3.43 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1163,1167, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 78 ASP H 89 VAL QG2 4.63 (#SUP 6.77)
&rst
ixpk= 6, nxpk= 0, iat=1163, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1348,1349,1350,
&end
#
# 75 ASP H 89 VAL QG1 4.87 (#SUP 6.46)
&rst
ixpk= 6, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2=1344,1345,1346,
&end
#
# 51 LYS QD 52 ASP H 5.14 (#SUP 7.77)
&rst
ixpk= 7, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 777, 778,
&end
#
# 51 LYS H 52 ASP H 3.52 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 767, 789, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 52 ASP H 53 THR H 3.01 (#SUP 9.25)
&rst
ixpk= 9, nxpk= 0, iat= 789, 801, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 50 ASP HA 52 ASP H 4.24 (#SUP 6.79)
&rst
ixpk= 6, nxpk= 0, iat= 757, 789, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 52 ASP H 53 THR HA 5.12 (#SUP 4.17)
&rst
ixpk= 4, nxpk= 0, iat= 789, 803, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 52 ASP H 52 ASP HB2 3.28 (#SUP 6.16)
&rst
ixpk= 6, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 51 LYS QB 52 ASP H 3.77 (#SUP 8.04)
&rst
ixpk= 8, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 771, 772,
&end
#
# 52 ASP H 53 THR QG2 4.55 (#SUP 7.00)
&rst
ixpk= 7, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 807, 808, 809,
&end
#
# 74 ILE H 75 ASP H 3.47 (#SUP 8.44)
&rst
ixpk= 8, nxpk= 0, iat=1088,1107, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 72 ALA HA 75 ASP H 3.91 (#SUP 4.10)
&rst
ixpk= 4, nxpk= 0, iat=1070,1107, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 71 LYS HA 75 ASP H 4.91 (#SUP 4.00)
&rst
ixpk= 4, nxpk= 0, iat=1048,1107, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 75 ASP H 75 ASP HB3 3.58 (#SUP 6.32)
&rst
ixpk= 6, nxpk= 0, iat=1107,1112, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 74 ILE HB 75 ASP H 3.38 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat=1092,1107, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 74 ILE QG2 75 ASP H 3.90 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1094,1095,1096,
&end
#
# 52 ASP H 52 ASP HB3 3.48 (#SUP 6.16)
&rst
ixpk= 6, nxpk= 0, iat= 789, 794, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 37 ASN HB2 39 LYS H 5.50 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat= 540, 572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE H 69 SER HB3 5.50 (#SUP 1.79)
&rst
ixpk= 1, nxpk= 0, iat= 462,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 ILE H 33 ILE QD1 3.95 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 475, 476, 477,
&end
#
# 33 ILE H 65 ASP HB3 5.50 (#SUP 5.76)
&rst
ixpk= 5, nxpk= 0, iat= 462, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ASP H 66 ASP HB2 3.79 (#SUP 4.27)
&rst
ixpk= 4, nxpk= 0, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 16 GLY HA3 17 GLU H 3.22 (#SUP 4.40)
&rst
ixpk= 4, nxpk= 0, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 17 GLU H 18 GLY H 4.23 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= 227, 242, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 17 GLU H 19 VAL H 5.19 (#SUP 6.77)
&rst
ixpk= 6, nxpk= 0, iat= 227, 249, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 17 GLU H 17 GLU QG 3.47 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 234, 235,
&end
#
# 17 GLU H 17 GLU QB 3.00 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 231, 232,
&end
#
# 37 ASN HA 39 LYS H 4.80 (#SUP 2.85)
&rst
ixpk= 2, nxpk= 0, iat= 538, 572, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 39 LYS H 39 LYS QD 4.58 (#SUP 8.14)
&rst
ixpk= 8, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 582, 583,
&end
#
# 39 LYS H 39 LYS HG2 4.19 (#SUP 8.60)
&rst
ixpk= 8, nxpk= 0, iat= 572, 579, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 39 LYS H 40 THR QG2 4.79 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat= 572, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 600, 601, 602,
&end
#
# 33 ILE H 64 PHE QE 5.15 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 963, 967,
&end
#
# 32 GLY HA2 33 ILE H 3.17 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= 457, 462, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 32 GLY HA3 33 ILE H 3.47 (#SUP 5.01)
&rst
ixpk= 5, nxpk= 0, iat= 458, 462, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 33 ILE H 33 ILE HB 3.30 (#SUP 8.06)
&rst
ixpk= 8, nxpk= 0, iat= 462, 466, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 33 ILE H 33 ILE HG13 3.89 (#SUP 6.76)
&rst
ixpk= 6, nxpk= 0, iat= 462, 473, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 33 ILE H 34 ILE QD1 5.49 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat= 462, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr2= 494, 495, 496,
&end
#
# 74 ILE H 76 TRP H 4.99 (#SUP 4.86)
&rst
ixpk= 4, nxpk= 0, iat=1088,1119, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 64 PHE HB3 66 ASP H 3.47 (#SUP 3.60)
&rst
ixpk= 3, nxpk= 0, iat= 958, 985, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 65 ASP HB2 66 ASP H 3.72 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat= 977, 985, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 66 ASP H 69 SER HB2 5.18 (#SUP 1.64)
&rst
ixpk= 1, nxpk= 0, iat= 985,1029, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 17 GLU H 19 VAL QG1 5.50 (#SUP 5.06)
&rst
ixpk= 5, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 255, 256, 257,
&end
#
# 75 ASP H 76 TRP H 3.63 (#SUP 7.37)
&rst
ixpk= 7, nxpk= 0, iat=1107,1119, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 76 TRP H 76 TRP HE3 4.85 (#SUP 5.81)
&rst
ixpk= 5, nxpk= 0, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 73 ALA HA 76 TRP H 4.16 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat=1080,1119, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 76 TRP H 76 TRP HB2 3.46 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 76 TRP H 76 TRP HB3 3.52 (#SUP 5.89)
&rst
ixpk= 5, nxpk= 0, iat=1119,1124, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 72 ALA QB 76 TRP H 5.50 (#SUP 2.84)
&rst
ixpk= 2, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1072,1073,1074,
&end
#
# 74 ILE QG2 76 TRP H 5.50 (#SUP 4.08)
&rst
ixpk= 4, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1094,1095,1096,
&end
#
# 31 ILE QD1 76 TRP H 5.37 (#SUP 4.37)
&rst
ixpk= 4, nxpk= 0, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 449, 450, 451,
&end
#
# 15 LEU H 58 GLY H 5.50 (#SUP 4.24)
&rst
ixpk= 4, nxpk= 0, iat= 201, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LEU H 59 GLU H 5.50 (#SUP 3.80)
&rst
ixpk= 3, nxpk= 0, iat= 201, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 LEU H 16 GLY HA2 5.42 (#SUP 1.76)
&rst
ixpk= 1, nxpk= 0, iat= 201, 222, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 13 GLN HA 15 LEU H 4.60 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= 179, 201, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 15 LEU H 58 GLY HA2 4.58 (#SUP 4.15)
&rst
ixpk= 4, nxpk= 0, iat= 201, 882, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 12 VAL QG1 15 LEU H 4.79 (#SUP 2.48)
&rst
ixpk= 2, nxpk= 0, iat= -1, 201, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 167, 168, 169,
&end
#
# 21 THR H 24 VAL H 5.50 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 276, 319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 THR H 23 GLN H 4.35 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= 276, 302, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 20 SER HA 21 THR H 3.22 (#SUP 4.16)
&rst
ixpk= 4, nxpk= 0, iat= 267, 276, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 20 SER HB2 21 THR H 3.47 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= 269, 276, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 20 SER HB3 21 THR H 3.77 (#SUP 3.93)
&rst
ixpk= 3, nxpk= 0, iat= 270, 276, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 THR H 21 THR HB 3.68 (#SUP 3.90)
&rst
ixpk= 3, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 19 VAL QG1 21 THR H 5.50 (#SUP 2.24)
&rst
ixpk= 2, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 255, 256, 257,
&end
#
# 15 LEU H 59 GLU HA 5.15 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 201, 889, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 13 GLN HE22 15 LEU H 5.50 (#SUP 2.22)
&rst
ixpk= 2, nxpk= 0, iat= 190, 201, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 81 GLU H 82 PHE H 4.62 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat=1204,1219, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 LYS HA 81 GLU H 3.15 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat=1184,1204, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 80 LYS QB 81 GLU H 3.12 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr1=1186,1187,
&end
#
# 81 GLU H 81 GLU QB 3.38 (#SUP 4.66)
&rst
ixpk= 4, nxpk= 0, iat=1204, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1208,1209,
&end
#
# 80 LYS QG 81 GLU H 4.58 (#SUP 5.72)
&rst
ixpk= 5, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1189,1190,
&end
#
# 4 MET H 5 SER H 3.46 (#SUP 3.18)
&rst
ixpk= 3, nxpk= 0, iat= 40, 57, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 5 SER H 5 SER HA 2.89 (#SUP 2.89)
&rst
ixpk= 2, nxpk= 0, iat= 57, 59, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 3 HIS HB2 5 SER H 4.88 (#SUP 2.38)
&rst
ixpk= 2, nxpk= 0, iat= 26, 57, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 3 HIS HB3 5 SER H 5.28 (#SUP 2.50)
&rst
ixpk= 2, nxpk= 0, iat= 27, 57, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end
#
# 81 GLU H 86 ILE HA 5.50 (#SUP 8.16)
&rst
ixpk= 8, nxpk= 0, iat=1204,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR HA 49 THR H 2.92 (#SUP 4.50)
&rst
ixpk= 4, nxpk= 0, iat= 722, 741, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 48 TYR HB2 49 THR H 3.82 (#SUP 5.53)
&rst
ixpk= 5, nxpk= 0, iat= 724, 741, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 49 THR H 57 LYS QD 5.31 (#SUP 7.06)
&rst
ixpk= 7, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr2= 868, 869,
&end
#
# 49 THR H 57 LYS H 5.50 (#SUP 6.11)
&rst
ixpk= 6, nxpk= 0, iat= 741, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 TYR QD 49 THR H 4.61 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat= -1, 741, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr1= 728, 737,
&end
#
# 49 THR H 49 THR HB 3.90 (#SUP 4.87)
&rst
ixpk= 4, nxpk= 0, iat= 741, 745, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 49 THR H 51 LYS QE 5.50 (#SUP 1.61)
&rst
ixpk= 1, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 780, 781,
&end
#
# 29 LYS H 31 ILE H 5.09 (#SUP 6.12)
&rst
ixpk= 6, nxpk= 0, iat= 397, 436, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 GLN HG3 31 ILE H 5.41 (#SUP 8.90)
&rst
ixpk= 8, nxpk= 0, iat= 427, 436, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, &end
#
# 69 SER H 71 LYS H 4.88 (#SUP 4.36)
&rst
ixpk= 4, nxpk= 0, iat=1025,1046, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 71 LYS H 71 LYS HB2 3.82 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat=1046,1050, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 71 LYS H 71 LYS HB3 3.70 (#SUP 6.51)
&rst
ixpk= 6, nxpk= 0, iat=1046,1051, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 71 LYS H 74 ILE QD1 5.50 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1101,1102,1103,
&end
#
# 28 PHE HA 31 ILE H 4.82 (#SUP 9.30)
&rst
ixpk= 9, nxpk= 0, iat= 379, 436, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 28 PHE HB2 31 ILE H 5.50 (#SUP 6.22)
&rst
ixpk= 6, nxpk= 0, iat= 381, 436, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN H 31 ILE H 3.40 (#SUP 9.85)
&rst
ixpk= 9, nxpk= 0, iat= 419, 436, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 31 ILE H 32 GLY HA3 5.50 (#SUP 4.33)
&rst
ixpk= 4, nxpk= 0, iat= 436, 458, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HG2 31 ILE H 5.26 (#SUP 10.00)
&rst
ixpk= 10, nxpk= 0, iat= 426, 436, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 30 GLN HB2 31 ILE H 4.63 (#SUP 9.07)
&rst
ixpk= 9, nxpk= 0, iat= 423, 436, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 31 ILE H 31 ILE HB 3.54 (#SUP 7.61)
&rst
ixpk= 7, nxpk= 0, iat= 436, 440, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 31 ILE H 31 ILE HG12 4.38 (#SUP 8.28)
&rst
ixpk= 8, nxpk= 0, iat= 436, 446, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 31 ILE H 31 ILE HG13 4.30 (#SUP 9.24)
&rst
ixpk= 9, nxpk= 0, iat= 436, 447, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 31 ILE H 31 ILE QD1 4.83 (#SUP 8.91)
&rst
ixpk= 8, nxpk= 0, iat= 436, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2= 449, 450, 451,
&end
#
# 57 LYS H 59 GLU H 4.83 (#SUP 4.70)
&rst
ixpk= 4, nxpk= 0, iat= 858, 887, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 57 LYS QB 59 GLU H 4.02 (#SUP 4.26)
&rst
ixpk= 4, nxpk= 0, iat= -1, 887, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 862, 863,
&end
#
# 78 ASP H 79 GLY H 5.15 (#SUP 3.99)
&rst
ixpk= 3, nxpk= 0, iat=1163,1175, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end
#
# 79 GLY H 80 LYS H 3.65 (#SUP 4.53)
&rst
ixpk= 4, nxpk= 0, iat=1175,1182, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 79 GLY H 88 LYS HA 3.92 (#SUP 6.82)
&rst
ixpk= 6, nxpk= 0, iat=1175,1318, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 78 ASP HB2 79 GLY H 5.02 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat=1167,1175, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end
#
# 78 ASP HB3 79 GLY H 5.10 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat=1168,1175, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 79 GLY H 89 VAL HB 5.50 (#SUP 4.03)
&rst
ixpk= 4, nxpk= 0, iat=1175,1342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 GLY H 86 ILE QG2 4.72 (#SUP 3.22)
&rst
ixpk= 3, nxpk= 0, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1284,1285,1286,
&end
#
# 48 TYR H 59 GLU H 5.32 (#SUP 7.26)
&rst
ixpk= 7, nxpk= 0, iat= 720, 887, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 48 TYR HB3 59 GLU H 5.18 (#SUP 3.49)
&rst
ixpk= 3, nxpk= 0, iat= 725, 887, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 47 LEU QQD 59 GLU H 5.50 (#SUP 4.44)
&rst
ixpk= 4, nxpk= 0, iat= 707, 887, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 48 TYR HB2 59 GLU H 5.50 (#SUP 3.77)
&rst
ixpk= 3, nxpk= 0, iat= 724, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE HB2 30 GLN H 5.50 (#SUP 6.39)
&rst
ixpk= 6, nxpk= 0, iat= 381, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN H 30 GLN HG2 3.73 (#SUP 9.05)
&rst
ixpk= 9, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 30 GLN H 30 GLN HB2 3.55 (#SUP 7.66)
&rst
ixpk= 7, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 30 GLN H 30 GLN HB3 3.33 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 29 LYS QG 30 GLN H 4.53 (#SUP 5.82)
&rst
ixpk= 5, nxpk= 0, iat= -1, 419, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 404, 405,
&end
#
# 92 ALA HA 93 THR H 3.01 (#SUP 3.30)
&rst
ixpk= 3, nxpk= 0, iat=1387,1395, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 92 ALA QB 93 THR H 3.84 (#SUP 3.05)
&rst
ixpk= 3, nxpk= 0, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1389,1390,1391,
&end
#
# 7 ASN HD21 93 THR H 5.50 (#SUP 2.49)
&rst
ixpk= 2, nxpk= 0, iat= 89,1395, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 66 ASP H 69 SER H 5.50 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 985,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER H 70 ALA H 3.47 (#SUP 8.02)
&rst
ixpk= 8, nxpk= 0, iat=1025,1036, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 66 ASP HA 69 SER H 5.50 (#SUP 5.39)
&rst
ixpk= 5, nxpk= 0, iat= 987,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 SER H 69 SER HB2 3.56 (#SUP 5.05)
&rst
ixpk= 5, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 68 PRO HD3 69 SER H 4.10 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 69 SER H 69 SER HB3 3.88 (#SUP 5.48)
&rst
ixpk= 5, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 66 ASP HB2 69 SER H 4.32 (#SUP 4.94)
&rst
ixpk= 4, nxpk= 0, iat= 989,1025, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 66 ASP HB3 69 SER H 4.28 (#SUP 4.23)
&rst
ixpk= 4, nxpk= 0, iat= 990,1025, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 68 PRO HG2 69 SER H 4.82 (#SUP 5.49)
&rst
ixpk= 5, nxpk= 0, iat=1015,1025, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 68 PRO HG3 69 SER H 4.85 (#SUP 6.43)
&rst
ixpk= 6, nxpk= 0, iat=1016,1025, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 69 SER H 70 ALA QB 4.81 (#SUP 3.53)
&rst
ixpk= 3, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2=1040,1041,1042,
&end
#
# 69 SER H 72 ALA QB 5.50 (#SUP 4.71)
&rst
ixpk= 4, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1072,1073,1074,
&end
#
# 68 PRO QB 69 SER H 4.54 (#SUP 5.10)
&rst
ixpk= 5, nxpk= 0, iat= -1,1025, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1018,1019,
&end
#
# 8 ASN HD21 35 LYS QE 5.50 (#SUP 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 513, 514,
&end
#
# 8 ASN HD21 38 LYS H 5.50 (#SUP 5.03)
&rst
ixpk= 5, nxpk= 0, iat= 103, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HD21 39 LYS H 5.50 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 103, 572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HD21 37 ASN HA 5.03 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 103, 538, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 8 ASN HD21 37 ASN HB2 4.20 (#SUP 3.87)
&rst
ixpk= 3, nxpk= 0, iat= 103, 540, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 8 ASN HD21 39 LYS QB 5.50 (#SUP 1.84)
&rst
ixpk= 1, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 576, 577,
&end
#
# 8 ASN HD21 40 THR QG2 5.01 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 600, 601, 602,
&end
#
# 8 ASN HD22 37 ASN H 5.50 (#SUP 2.38)
&rst
ixpk= 2, nxpk= 0, iat= 104, 536, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HD22 39 LYS H 5.50 (#SUP 3.85)
&rst
ixpk= 3, nxpk= 0, iat= 104, 572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HD22 37 ASN HB2 4.68 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= 104, 540, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 8 ASN HD22 37 ASN HA 5.50 (#SUP 4.54)
&rst
ixpk= 4, nxpk= 0, iat= 104, 538, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 8 ASN HD22 39 LYS QD 5.50 (#SUP 1.65)
&rst
ixpk= 1, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 582, 583,
&end
#
# 8 ASN HB3 8 ASN HD21 3.92 (#SUP 2.87)
&rst
ixpk= 2, nxpk= 0, iat= 99, 103, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 8 ASN HD22 38 LYS H 5.50 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= 104, 550, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLN QG 13 GLN HE21 3.89 (#SUP 3.76)
&rst
ixpk= 3, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 184, 185,
&end
#
# 13 GLN QB 13 GLN HE21 3.90 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= -1, 189, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 181, 182,
&end
#
# 13 GLN QB 13 GLN HE22 4.93 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 181, 182,
&end
#
# 13 GLN HA 13 GLN HE21 5.50 (#SUP 3.80)
&rst
ixpk= 3, nxpk= 0, iat= 179, 189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLN HE22 14 GLY HA3 5.21 (#SUP 4.56)
&rst
ixpk= 4, nxpk= 0, iat= 190, 197, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end
#
# 13 GLN HE22 88 LYS QE 4.31 (#SUP 0.02)
&rst
ixpk= 0, nxpk= 0, iat= 190, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1329,1330,
&end
#
# 28 PHE H 29 LYS H 3.61 (#SUP 7.83)
&rst
ixpk= 7, nxpk= 0, iat= 377, 397, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 25 GLY HA3 28 PHE H 4.48 (#SUP 3.55)
&rst
ixpk= 3, nxpk= 0, iat= 338, 377, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 77 PHE H 89 VAL HB 5.24 (#SUP 2.89)
&rst
ixpk= 2, nxpk= 0, iat=1143,1342, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 76 TRP HE3 77 PHE H 4.31 (#SUP 6.52)
&rst
ixpk= 6, nxpk= 0, iat=1138,1143, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 77 PHE H 77 PHE QB 3.53 (#SUP 3.98)
&rst
ixpk= 3, nxpk= 0, iat=1143, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2=1147,1148,
&end
#
# 28 PHE H 29 LYS HB3 5.50 (#SUP 5.18)
&rst
ixpk= 5, nxpk= 0, iat= 377, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 PHE H 28 PHE QD 4.63 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 385, 393,
&end
#
# 28 PHE H 28 PHE HB2 3.90 (#SUP 7.56)
&rst
ixpk= 7, nxpk= 0, iat= 377, 381, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 27 PHE HB2 28 PHE H 4.11 (#SUP 7.12)
&rst
ixpk= 7, nxpk= 0, iat= 361, 377, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 28 PHE H 28 PHE HB3 3.49 (#SUP 6.96)
&rst
ixpk= 6, nxpk= 0, iat= 377, 382, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 28 PHE H 29 LYS HB2 5.30 (#SUP 5.98)
&rst
ixpk= 5, nxpk= 0, iat= 377, 401, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end
#
# 76 TRP HB2 77 PHE H 4.26 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat=1123,1143, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 76 TRP H 77 PHE H 3.61 (#SUP 6.20)
&rst
ixpk= 6, nxpk= 0, iat=1119,1143, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 31 ILE QD1 77 PHE H 5.50 (#SUP 4.59)
&rst
ixpk= 4, nxpk= 0, iat= -1,1143, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 449, 450, 451,
&end
#
# 30 GLN HE21 31 ILE QD1 5.50 (#SUP 5.62)
&rst
ixpk= 5, nxpk= 0, iat= 431, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 449, 450, 451,
&end
#
# 27 PHE HA 30 GLN HE22 5.09 (#SUP 2.86)
&rst
ixpk= 2, nxpk= 0, iat= 359, 432, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 GLN HA 30 GLN HE21 5.50 (#SUP 6.55)
&rst
ixpk= 6, nxpk= 0, iat= 421, 431, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 30 GLN HB2 30 GLN HE21 4.77 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 423, 431, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 30 GLN HG2 30 GLN HE21 4.07 (#SUP 7.04)
&rst
ixpk= 7, nxpk= 0, iat= 426, 431, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 30 GLN HB3 30 GLN HE21 4.50 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= 424, 431, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 46 ASN HA 46 ASN HD21 5.50 (#SUP 3.62)
&rst
ixpk= 3, nxpk= 0, iat= 689, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ASN HD21 61 THR H 5.09 (#SUP 6.60)
&rst
ixpk= 6, nxpk= 0, iat= 696, 912, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end
#
# 30 GLN HB2 30 GLN HE22 5.50 (#SUP 5.17)
&rst
ixpk= 5, nxpk= 0, iat= 423, 432, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ASN HA 46 ASN HD22 5.50 (#SUP 2.91)
&rst
ixpk= 2, nxpk= 0, iat= 689, 697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 ASN HD22 61 THR QG2 5.50 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 918, 919, 920,
&end
#
# 46 ASN HD22 61 THR H 5.50 (#SUP 4.41)
&rst
ixpk= 4, nxpk= 0, iat= 697, 912, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LYS H 41 GLY H 4.32 (#SUP 7.81)
&rst
ixpk= 7, nxpk= 0, iat= 572, 608, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 41 GLY H 42 LYS H 3.40 (#SUP 6.00)
&rst
ixpk= 6, nxpk= 0, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 40 THR H 41 GLY H 3.04 (#SUP 8.94)
&rst
ixpk= 8, nxpk= 0, iat= 594, 608, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 40 THR HB 41 GLY H 4.69 (#SUP 5.77)
&rst
ixpk= 5, nxpk= 0, iat= 598, 608, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 37 ASN HB2 41 GLY H 4.43 (#SUP 5.69)
&rst
ixpk= 5, nxpk= 0, iat= 540, 608, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 37 ASN HB3 41 GLY H 5.08 (#SUP 8.65)
&rst
ixpk= 8, nxpk= 0, iat= 541, 608, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 38 LYS QD 41 GLY H 5.50 (#SUP 2.72)
&rst
ixpk= 2, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 560, 561,
&end
#
# 36 THR QG2 41 GLY H 4.67 (#SUP 7.31)
&rst
ixpk= 7, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 528, 529, 530,
&end
#
# 38 LYS H 41 GLY H 5.50 (#SUP 7.43)
&rst
ixpk= 7, nxpk= 0, iat= 550, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 ASN HA 41 GLY H 5.50 (#SUP 4.32)
&rst
ixpk= 4, nxpk= 0, iat= 538, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 LYS HA 41 GLY H 4.20 (#SUP 6.73)
&rst
ixpk= 6, nxpk= 0, iat= 552, 608, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 39 LYS HG2 41 GLY H 5.50 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= 579, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 THR QG2 41 GLY H 4.71 (#SUP 7.76)
&rst
ixpk= 7, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 600, 601, 602,
&end
#
# 52 ASP H 54 GLY H 4.15 (#SUP 6.38)
&rst
ixpk= 6, nxpk= 0, iat= 789, 815, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 54 GLY H 55 LYS H 3.42 (#SUP 3.25)
&rst
ixpk= 3, nxpk= 0, iat= 815, 822, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 52 ASP HA 54 GLY H 4.98 (#SUP 4.31)
&rst
ixpk= 4, nxpk= 0, iat= 791, 815, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 51 LYS HA 54 GLY H 4.54 (#SUP 8.12)
&rst
ixpk= 8, nxpk= 0, iat= 769, 815, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 50 ASP HB2 54 GLY H 4.11 (#SUP 4.74)
&rst
ixpk= 4, nxpk= 0, iat= 759, 815, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 50 ASP HB3 54 GLY H 4.71 (#SUP 5.23)
&rst
ixpk= 5, nxpk= 0, iat= 760, 815, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 51 LYS QD 54 GLY H 5.24 (#SUP 5.73)
&rst
ixpk= 5, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 777, 778,
&end
#
# 51 LYS QG 54 GLY H 5.41 (#SUP 5.41)
&rst
ixpk= 5, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 774, 775,
&end
#
# 53 THR QG2 54 GLY H 4.85 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 807, 808, 809,
&end
#
# 7 ASN HD21 8 ASN H 5.50 (#SUP 5.96)
&rst
ixpk= 5, nxpk= 0, iat= 89, 94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HD21 91 PHE HB2 4.40 (#SUP 2.00)
&rst
ixpk= 2, nxpk= 0, iat= 89,1369, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 7 ASN HB2 7 ASN HD21 4.08 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= 84, 89, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 7 ASN HB3 7 ASN HD21 3.92 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= 85, 89, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 7 ASN HD21 94 ARG QG 5.50 (#SUP 2.01)
&rst
ixpk= 2, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1416,1417,
&end
#
# 7 ASN HD21 93 THR QG2 5.50 (#SUP 5.04)
&rst
ixpk= 5, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1401,1402,1403,
&end
#
# 7 ASN HD22 8 ASN H 5.50 (#SUP 6.48)
&rst
ixpk= 6, nxpk= 0, iat= 90, 94, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HD22 91 PHE HA 5.50 (#SUP 1.09)
&rst
ixpk= 1, nxpk= 0, iat= 90,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN H 7 ASN HD22 5.50 (#SUP 4.95)
&rst
ixpk= 4, nxpk= 0, iat= 80, 90, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HA 7 ASN HD22 5.50 (#SUP 5.00)
&rst
ixpk= 5, nxpk= 0, iat= 82, 90, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HD22 93 THR HA 5.50 (#SUP 2.44)
&rst
ixpk= 2, nxpk= 0, iat= 90,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 ASN HD22 91 PHE HB2 4.67 (#SUP 2.96)
&rst
ixpk= 2, nxpk= 0, iat= 90,1369, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 7 ASN HD22 9 THR QG2 5.50 (#SUP 2.51)
&rst
ixpk= 2, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 114, 115, 116,
&end
#
# 20 SER H 23 GLN HE21 5.29 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 265, 314, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 19 VAL HA 23 GLN HE21 5.49 (#SUP 3.91)
&rst
ixpk= 3, nxpk= 0, iat= 251, 314, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 23 GLN HG2 23 GLN HE21 4.09 (#SUP 4.65)
&rst
ixpk= 4, nxpk= 0, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 23 GLN HG3 23 GLN HE21 4.00 (#SUP 3.89)
&rst
ixpk= 3, nxpk= 0, iat= 310, 314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 23 GLN QB 23 GLN HE21 5.31 (#SUP 4.92)
&rst
ixpk= 4, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 306, 307,
&end
#
# 19 VAL QG1 23 GLN HE21 5.50 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 255, 256, 257,
&end
#
# 23 GLN HE21 24 VAL QG1 5.50 (#SUP 4.80)
&rst
ixpk= 4, nxpk= 0, iat= 314, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 325, 326, 327,
&end
#
# 20 SER H 23 GLN HE22 5.50 (#SUP 4.75)
&rst
ixpk= 4, nxpk= 0, iat= 265, 315, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLN QB 23 GLN HE22 5.50 (#SUP 5.08)
&rst
ixpk= 5, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 306, 307,
&end
#
# 23 GLN HE22 24 VAL QG1 5.50 (#SUP 5.46)
&rst
ixpk= 5, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 325, 326, 327,
&end
#
# 57 LYS H 58 GLY H 3.40 (#SUP 9.03)
&rst
ixpk= 9, nxpk= 0, iat= 858, 880, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 18 GLY H 19 VAL H 3.34 (#SUP 7.63)
&rst
ixpk= 7, nxpk= 0, iat= 242, 249, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 17 GLU HA 18 GLY H 2.90 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= 229, 242, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 17 GLU QG 18 GLY H 4.06 (#SUP 6.10)
&rst
ixpk= 6, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 234, 235,
&end
#
# 17 GLU QB 18 GLY H 3.83 (#SUP 5.28)
&rst
ixpk= 5, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 231, 232,
&end
#
# 18 GLY H 19 VAL QG2 4.64 (#SUP 4.55)
&rst
ixpk= 4, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2= 259, 260, 261,
&end
#
# 47 LEU QQD 58 GLY H 5.50 (#SUP 2.66)
&rst
ixpk= 2, nxpk= 0, iat= 707, 880, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 13 GLN HE22 14 GLY H 5.50 (#SUP 5.84)
&rst
ixpk= 5, nxpk= 0, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLN QG 14 GLY H 4.80 (#SUP 5.99)
&rst
ixpk= 5, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 184, 185,
&end
#
# 13 GLN H 14 GLY H 5.43 (#SUP 6.23)
&rst
ixpk= 6, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 14 GLY H 16 GLY H 5.50 (#SUP 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 194, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLY H 59 GLU H 5.50 (#SUP 1.67)
&rst
ixpk= 1, nxpk= 0, iat= 194, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 GLN HA 14 GLY H 3.43 (#SUP 5.80)
&rst
ixpk= 5, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 14 GLY H 15 LEU HG 4.60 (#SUP 1.47)
&rst
ixpk= 1, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 13 GLN QB 14 GLY H 5.36 (#SUP 5.31)
&rst
ixpk= 5, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr1= 181, 182,
&end
#
# 58 GLY H 59 GLU HA 5.50 (#SUP 3.76)
&rst
ixpk= 3, nxpk= 0, iat= 880, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 GLY H 59 GLU QG 5.50 (#SUP 5.94)
&rst
ixpk= 5, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 894, 895,
&end
#
# 58 GLY H 59 GLU H 3.30 (#SUP 6.87)
&rst
ixpk= 6, nxpk= 0, iat= 880, 887, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 56 PRO HA 58 GLY H 4.83 (#SUP 3.88)
&rst
ixpk= 3, nxpk= 0, iat= 854, 880, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end
#
# 57 LYS QB 58 GLY H 4.24 (#SUP 7.42)
&rst
ixpk= 7, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 862, 863,
&end
#
# 57 LYS QD 58 GLY H 4.57 (#SUP 6.63)
&rst
ixpk= 6, nxpk= 0, iat= -1, 880, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 868, 869,
&end
#
# 60 ALA HA 61 THR H 3.19 (#SUP 4.76)
&rst
ixpk= 4, nxpk= 0, iat= 904, 912, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 47 LEU QQD 61 THR H 5.50 (#SUP 6.86)
&rst
ixpk= 6, nxpk= 0, iat= 707, 912, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20, &end
#
# 61 THR H 62 VAL H 4.47 (#SUP 5.97)
&rst
ixpk= 5, nxpk= 0, iat= 912, 926, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 47 LEU HA 61 THR H 5.01 (#SUP 4.09)
&rst
ixpk= 4, nxpk= 0, iat= 703, 912, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 61 THR H 62 VAL QG1 5.38 (#SUP 6.57)
&rst
ixpk= 6, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 932, 933, 934,
&end
#
# 46 ASN HA 61 THR H 5.49 (#SUP 4.42)
&rst
ixpk= 4, nxpk= 0, iat= 689, 912, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 61 THR H 62 VAL HA 5.50 (#SUP 6.04)
&rst
ixpk= 6, nxpk= 0, iat= 912, 928, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 LYS HA 53 THR H 5.50 (#SUP 9.07)
&rst
ixpk= 9, nxpk= 0, iat= 769, 801, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 53 THR H 55 LYS H 4.67 (#SUP 2.72)
&rst
ixpk= 2, nxpk= 0, iat= 801, 822, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 53 THR H 54 GLY HA3 4.96 (#SUP 2.72)
&rst
ixpk= 2, nxpk= 0, iat= 801, 818, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 52 ASP HB2 53 THR H 3.86 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= 793, 801, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 52 ASP HB3 53 THR H 4.04 (#SUP 5.88)
&rst
ixpk= 5, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 50 ASP HB3 53 THR H 4.65 (#SUP 6.14)
&rst
ixpk= 6, nxpk= 0, iat= 760, 801, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 51 LYS QB 53 THR H 5.50 (#SUP 5.36)
&rst
ixpk= 5, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 771, 772,
&end
#
# 51 LYS QD 53 THR H 5.50 (#SUP 6.07)
&rst
ixpk= 6, nxpk= 0, iat= -1, 801, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 777, 778,
&end
#
# 22 ASP HA 25 GLY H 4.22 (#SUP 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 292, 335, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 24 VAL HB 25 GLY H 3.67 (#SUP 6.17)
&rst
ixpk= 6, nxpk= 0, iat= 323, 335, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 GLY H 45 ILE QD1 3.71 (#SUP 3.00)
&rst
ixpk= 3, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 681, 682, 683,
&end
#
# 32 GLY H 33 ILE H 4.50 (#SUP 5.30)
&rst
ixpk= 5, nxpk= 0, iat= 455, 462, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 31 ILE H 32 GLY H 3.12 (#SUP 9.01)
&rst
ixpk= 9, nxpk= 0, iat= 436, 455, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 28 PHE HB2 32 GLY H 5.50 (#SUP 3.82)
&rst
ixpk= 3, nxpk= 0, iat= 381, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 ILE HG12 32 GLY H 5.08 (#SUP 7.21)
&rst
ixpk= 7, nxpk= 0, iat= 446, 455, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 31 ILE HG13 32 GLY H 5.20 (#SUP 6.65)
&rst
ixpk= 6, nxpk= 0, iat= 447, 455, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 32 GLY H 33 ILE QD1 5.50 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 475, 476, 477,
&end
#
# 31 ILE QG2 32 GLY H 4.14 (#SUP 8.32)
&rst
ixpk= 8, nxpk= 0, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 442, 443, 444,
&end
#
# 38 LYS H 40 THR H 5.04 (#SUP 7.82)
&rst
ixpk= 7, nxpk= 0, iat= 550, 594, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 39 LYS H 40 THR H 3.22 (#SUP 9.59)
&rst
ixpk= 9, nxpk= 0, iat= 572, 594, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 40 THR H 42 LYS H 4.48 (#SUP 6.69)
&rst
ixpk= 6, nxpk= 0, iat= 594, 615, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 40 THR H 41 GLY HA2 4.79 (#SUP 4.05)
&rst
ixpk= 4, nxpk= 0, iat= 594, 610, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 38 LYS HA 40 THR H 4.88 (#SUP 7.10)
&rst
ixpk= 7, nxpk= 0, iat= 552, 594, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 40 THR H 41 GLY HA3 4.67 (#SUP 4.68)
&rst
ixpk= 4, nxpk= 0, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 37 ASN HB2 40 THR H 4.50 (#SUP 6.61)
&rst
ixpk= 6, nxpk= 0, iat= 540, 594, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 37 ASN HB3 40 THR H 5.10 (#SUP 6.83)
&rst
ixpk= 6, nxpk= 0, iat= 541, 594, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 39 LYS QB 40 THR H 3.58 (#SUP 9.60)
&rst
ixpk= 9, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1= 576, 577,
&end
#
# 39 LYS HG2 40 THR H 5.27 (#SUP 9.39)
&rst
ixpk= 9, nxpk= 0, iat= 579, 594, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 37 ASN H 40 THR H 5.27 (#SUP 4.65)
&rst
ixpk= 4, nxpk= 0, iat= 536, 594, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 39 LYS QD 40 THR H 5.40 (#SUP 8.13)
&rst
ixpk= 8, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1= 582, 583,
&end
#
# 36 THR QG2 40 THR H 5.50 (#SUP 5.44)
&rst
ixpk= 5, nxpk= 0, iat= -1, 594, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 528, 529, 530,
&end
#
# 16 GLY H 17 GLU H 4.10 (#SUP 4.83)
&rst
ixpk= 4, nxpk= 0, iat= 220, 227, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 15 LEU H 16 GLY H 3.89 (#SUP 2.68)
&rst
ixpk= 2, nxpk= 0, iat= 201, 220, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 16 GLY H 82 PHE QD 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1227,1235,
&end
#
# 16 GLY H 58 GLY HA2 3.99 (#SUP 2.82)
&rst
ixpk= 2, nxpk= 0, iat= 220, 882, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 15 LEU HA 16 GLY H 3.07 (#SUP 2.06)
&rst
ixpk= 2, nxpk= 0, iat= 203, 220, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 16 GLY H 19 VAL HB 5.05 (#SUP 3.86)
&rst
ixpk= 3, nxpk= 0, iat= 220, 253, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 16 GLY H 19 VAL QG1 5.04 (#SUP 6.33)
&rst
ixpk= 6, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2= 255, 256, 257,
&end
#
# 16 GLY H 19 VAL QG2 5.41 (#SUP 6.64)
&rst
ixpk= 6, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr2= 259, 260, 261,
&end
#
# 16 GLY H 82 PHE QE 5.50 (#SUP 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1229,1233,
&end
#
# 16 GLY H 17 GLU QG 5.50 (#SUP 4.48)
&rst
ixpk= 4, nxpk= 0, iat= 220, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 234, 235,
&end
#
# 82 PHE H 84 GLY H 4.81 (#SUP 7.65)
&rst
ixpk= 7, nxpk= 0, iat=1219,1257, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 83 HIS H 84 GLY H 3.71 (#SUP 7.84)
&rst
ixpk= 7, nxpk= 0, iat=1239,1257, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 81 GLU HA 84 GLY H 5.36 (#SUP 4.15)
&rst
ixpk= 4, nxpk= 0, iat=1206,1257, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 83 HIS HA 84 GLY H 3.37 (#SUP 6.81)
&rst
ixpk= 6, nxpk= 0, iat=1241,1257, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 83 HIS HB2 84 GLY H 4.90 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1243,1257, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 83 HIS HB3 84 GLY H 5.01 (#SUP 5.70)
&rst
ixpk= 5, nxpk= 0, iat=1244,1257, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 81 GLU QG 84 GLY H 4.78 (#SUP 5.27)
&rst
ixpk= 5, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1=1211,1212,
&end
#
# 81 GLU QB 84 GLY H 4.03 (#SUP 6.31)
&rst
ixpk= 6, nxpk= 0, iat= -1,1257, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1208,1209,
&end
#
# 82 PHE HA 84 GLY H 4.85 (#SUP 6.30)
&rst
ixpk= 6, nxpk= 0, iat=1221,1257, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
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