NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21046 |
2gzz   |
7109 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 0 AMB 10-2:1013 0 AMB 10-1:1013 4.50 (# 1013:10 Double Ambig)
&rst
ixpk= 1013, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1= 54, 563, 564,
igr2= 805, 789,
&end
#
# 0 AMB 10-2:1016 0 AMB 10-1:1016 3.50 (# 1016:10 Double Ambig)
&rst
ixpk= 1016, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 780, 781, 56, 57, 58, 60, 61, 62, 56, 57,
58, 60, 61, 62,1128,1129,1130,1132,1133,1134,
igr2= 789, 805,
&end
#
# 0 AMB 10-2:1079 0 AMB 10-1:1079 3.50 (# 1079:10 Double Ambig)
&rst
ixpk= 1079, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 934,1250,
igr2= 947,1192,
&end
#
# 0 AMB 10-2:118 0 AMB 10-1:118 2.80 (# 118:10 Double Ambig)
&rst
ixpk= 118, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 776, 777, 778, 277, 278, 279, 281, 282, 283, 296,
297, 298, 300, 301, 302,
igr2= 789, 805,
&end
#
# 23 ASP HN 0 AMB 10-1:126 3.50 (# 126:10 Single Ambig)
&rst
ixpk= 126, nxpk= 10, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 789, 805,
&end
#
# 0 AMB 10-2:1274 0 AMB 10-1:1274 5.50 (# 1274:10 Double Ambig)
&rst
ixpk= 1274, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1472,1473,1489,1490,
igr2=1541,1542,1541,1542,
&end
#
# 0 AMB 10-2:1276 0 AMB 10-1:1276 4.50 (# 1276:10 Double Ambig)
&rst
ixpk= 1276, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 682, 683, 684,1469,1470,1520,
igr2=1541,1542,1541,1542,1541,1542,
&end
#
# 0 AMB 10-2:128 0 AMB 10-1:128 2.80 (# 128:10 Double Ambig)
&rst
ixpk= 128, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 791, 772, 807,
igr2= 805, 789,
&end
#
# 0 AMB 10-2:1298 0 AMB 10-1:1298 3.50 (# 1298:10 Double Ambig)
&rst
ixpk= 1298, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 890, 891, 850, 851,
igr2= 910, 911, 910, 911,
&end
#
# 0 AMB 10-2:130 0 AMB 10-1:130 2.80 (# 130:10 Double Ambig)
&rst
ixpk= 130, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 37, 38, 39, 277, 278, 279, 281, 282, 283, 568,
569, 570, 572, 573, 574, 568, 569, 570, 572, 573,
574,
igr2= 805, 789,
&end
#
# 0 AMB 10-2:131 0 AMB 10-1:131 2.80 (# 131:10 Double Ambig)
&rst
ixpk= 131, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 789, 805,
&end
#
# 0 AMB 10-2:228 0 AMB 10-1:228 2.80 (# 228:10 Double Ambig)
&rst
ixpk= 228, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 308,1140,
igr2= 316,1309,
&end
#
# 0 AMB 10-2:301 0 AMB 10-1:301 2.80 (# 301:10 Double Ambig)
&rst
ixpk= 301, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 936, 937,1237,1238,
igr2= 947,1192,
&end
#
# 0 AMB 10-2:551 0 AMB 10-1:551 5.50 (# 551:10 Double Ambig)
&rst
ixpk= 551, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 922, 923, 131, 132,
igr2= 927, 928, 136, 137,
&end
#
# 0 AMB 10-2:581 0 AMB 10-1:581 2.80 (# 581:10 Double Ambig)
&rst
ixpk= 581, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1338,1339, 453, 447,
igr2=1336, 451,
&end
#
# 0 AMB 10-2:582 0 AMB 10-1:582 3.50 (# 582:10 Double Ambig)
&rst
ixpk= 582, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 444, 445,1095,1096,1095,1096, 468, 469,
igr2= 451,1336,
&end
#
# 0 AMB 10-2:583 0 AMB 10-1:583 2.80 (# 583:10 Double Ambig)
&rst
ixpk= 583, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1092,1093, 456,
igr2= 451,1336,
&end
#
# 0 AMB 10-2:590 0 AMB 10-1:590 4.50 (# 590:10 Double Ambig)
&rst
ixpk= 590, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1472,1473,1428,1429,
igr2=1477,1478,1477,1478,
&end
#
# 0 AMB 10-2:69 0 AMB 10-1:69 2.80 (# 69:10 Double Ambig)
&rst
ixpk= 69, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 755, 756, 291, 292,
igr2= 770, 287,
&end
#
# 0 AMB 10-2:70 0 AMB 10-1:70 2.80 (# 70:10 Double Ambig)
&rst
ixpk= 70, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 738, 739, 740, 742, 743, 744, 277, 278, 279, 281,
282, 283, 783, 784, 785, 41, 42, 261, 262, 263,
265, 266, 267,
igr2= 287, 770,
&end
#
# 0 AMB 10-2:71 0 AMB 10-1:71 2.80 (# 71:10 Double Ambig)
&rst
ixpk= 71, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 273, 772,
igr2= 287, 770,
&end
#
# 0 AMB 10-2:72 0 AMB 10-1:72 2.80 (# 72:10 Double Ambig)
&rst
ixpk= 72, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
301, 302,
igr2= 287, 770,
&end
#
# 51 LYS HN 0 AMB 10-1:770 3.50 (# 770:10 Single Ambig)
&rst
ixpk= 770, nxpk= 10, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 287, 770,
&end
#
# 0 AMB 10-2:774 0 AMB 10-1:774 4.50 (# 774:10 Double Ambig)
&rst
ixpk= 774, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 770, 287,
&end
#
# 0 AMB 10-2:792 0 AMB 10-1:792 4.50 (# 792:10 Double Ambig)
&rst
ixpk= 792, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
573, 574,1145,1034,1035,1036,1038,1039,1040, 277,
278, 279, 281, 282, 283,
igr2= 316,1309,
&end
#
# 0 AMB 10-2:793 0 AMB 10-1:793 4.50 (# 793:10 Double Ambig)
&rst
ixpk= 793, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 296, 297, 298, 300, 301, 302, 776, 777, 778,1506,
1507,1508,1510,1511,1512,
igr2= 316,1309,
&end
#
# 0 AMB 10-2:794 0 AMB 10-1:794 5.50 (# 794:10 Double Ambig)
&rst
ixpk= 794, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1123,1124, 812, 813, 294,
igr2=1309, 316,
&end
#
# 0 AMB 10-2:799 0 AMB 10-1:799 4.50 (# 799:10 Double Ambig)
&rst
ixpk= 799, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 827,1138,
igr2= 316,1309,
&end
#
# 0 AMB 10-2:847 0 AMB 10-1:847 5.50 (# 847:10 Double Ambig)
&rst
ixpk= 847, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 424,1376,1377,
igr2= 451,1336,
&end
#
# 0 AMB 10-2:854 0 AMB 10-1:854 3.50 (# 854:10 Double Ambig)
&rst
ixpk= 854, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1324,1098,1099,1098,1099,
igr2=1336, 451,
&end
#
# 0 AMB 10-2:1000 96 LEU HN 5.50 (# 1000:10 Single Ambig)
&rst
ixpk= 1000, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1469,1470,1425,1426,1520,
&end
#
# 0 AMB 10-2:1001 96 LEU HN 5.50 (# 1001:10 Single Ambig)
&rst
ixpk= 1001, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1469,1470,1486,1487,
&end
#
# 0 AMB 10-2:1002 96 LEU HN 4.50 (# 1002:10 Single Ambig)
&rst
ixpk= 1002, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1370,1371,1367,1368,
&end
#
# 0 AMB 10-2:1003 96 LEU HN 5.50 (# 1003:10 Single Ambig)
&rst
ixpk= 1003, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 549, 550, 551, 553, 554, 555,1506,1507,1508,1510,
1511,1512,1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 10-2:1004 96 LEU HN 4.50 (# 1004:10 Single Ambig)
&rst
ixpk= 1004, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 10-2:1005 51 LYS HN 4.50 (# 1005:10 Single Ambig)
&rst
ixpk= 1005, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 10-2:1010 83 VAL HN 5.50 (# 1010:10 Single Ambig)
&rst
ixpk= 1010, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1233,1280,
&end
#
# 0 AMB 10-2:1018 83 VAL HN 5.50 (# 1018:10 Single Ambig)
&rst
ixpk= 1018, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1180,1177,1178,
&end
#
# 0 AMB 10-2:1024 55 ILE HN 5.50 (# 1024:10 Single Ambig)
&rst
ixpk= 1024, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 840, 841, 842, 376, 377, 378,
&end
#
# 0 AMB 10-2:1025 55 ILE HN 5.50 (# 1025:10 Single Ambig)
&rst
ixpk= 1025, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 837, 838, 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 10-2:1026 55 ILE HN 3.50 (# 1026:10 Single Ambig)
&rst
ixpk= 1026, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 831, 812, 813, 310, 311, 312,
&end
#
# 0 AMB 10-2:1029 55 ILE HN 5.50 (# 1029:10 Single Ambig)
&rst
ixpk= 1029, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 320, 321, 818, 819, 850, 851,
&end
#
# 0 AMB 10-2:1030 55 ILE HN 4.50 (# 1030:10 Single Ambig)
&rst
ixpk= 1030, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 320, 321, 905, 906,
&end
#
# 0 AMB 10-2:1034 56 ASP HN 4.50 (# 1034:10 Single Ambig)
&rst
ixpk= 1034, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 831, 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 10-2:1038 56 ASP HN 5.50 (# 1038:10 Single Ambig)
&rst
ixpk= 1038, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 840, 841, 842, 376, 377, 378,
&end
#
# 0 AMB 10-2:1039 56 ASP HN 5.50 (# 1039:10 Single Ambig)
&rst
ixpk= 1039, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 890, 891, 76, 77, 809, 810,
&end
#
# 0 AMB 10-2:104 51 LYS HN 3.50 (# 104:10 Single Ambig)
&rst
ixpk= 104, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 287, 770,
&end
#
# 0 AMB 10-2:1047 57 VAL HN 5.50 (# 1047:10 Single Ambig)
&rst
ixpk= 1047, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 850, 851, 922, 923,
&end
#
# 0 AMB 10-2:1048 57 VAL HN 4.50 (# 1048:10 Single Ambig)
&rst
ixpk= 1048, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 376, 377, 378,1085,1086,1087,
&end
#
# 0 AMB 10-2:1053 58 ASP HN 5.50 (# 1053:10 Single Ambig)
&rst
ixpk= 1053, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 862, 893, 894,
&end
#
# 0 AMB 10-2:1054 58 ASP HN 5.50 (# 1054:10 Single Ambig)
&rst
ixpk= 1054, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 850, 851, 922, 923,
&end
#
# 0 AMB 10-2:1055 58 ASP HN 3.50 (# 1055:10 Single Ambig)
&rst
ixpk= 1055, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 860, 848,
&end
#
# 0 AMB 10-2:1059 59 GLU HN 4.50 (# 1059:10 Single Ambig)
&rst
ixpk= 1059, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 850, 851, 922, 923,
&end
#
# 0 AMB 10-2:1068 60 ASN HN 5.50 (# 1068:10 Single Ambig)
&rst
ixpk= 1068, nxpk= 10, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 862, 893, 894,
&end
#
# 0 AMB 10-2:1069 60 ASN HN 3.50 (# 1069:10 Single Ambig)
&rst
ixpk= 1069, nxpk= 10, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 890, 891, 850, 851, 893, 894,
&end
#
# 0 AMB 10-2:1071 61 GLN HN 4.50 (# 1071:10 Single Ambig)
&rst
ixpk= 1071, nxpk= 10, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906, 116, 117,
&end
#
# 0 AMB 10-2:1075 62 GLU HN 4.50 (# 1075:10 Single Ambig)
&rst
ixpk= 1075, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906, 116, 117,
&end
#
# 0 AMB 10-2:1076 62 GLU HN 5.50 (# 1076:10 Single Ambig)
&rst
ixpk= 1076, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 905, 906, 922, 923,
&end
#
# 0 AMB 10-2:1081 79 LYS HN 3.50 (# 1081:10 Single Ambig)
&rst
ixpk= 1081, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1264,1214,
&end
#
# 0 AMB 10-2:109 51 LYS HN 2.80 (# 109:10 Single Ambig)
&rst
ixpk= 109, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
743, 744,
&end
#
# 0 AMB 10-2:1093 66 LYS HN 4.50 (# 1093:10 Single Ambig)
&rst
ixpk= 1093, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 988, 989, 965, 966, 967,
&end
#
# 0 AMB 10-2:1094 66 LYS HN 5.50 (# 1094:10 Single Ambig)
&rst
ixpk= 1094, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 939, 940,1004,1005,
&end
#
# 0 AMB 10-2:1099 67 TYR HN 3.50 (# 1099:10 Single Ambig)
&rst
ixpk= 1099, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 980, 973, 974,
&end
#
# 0 AMB 10-2:1102 67 TYR HN 5.50 (# 1102:10 Single Ambig)
&rst
ixpk= 1102, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 988, 989, 965, 966, 967,
&end
#
# 0 AMB 10-2:1104 67 TYR HN 4.50 (# 1104:10 Single Ambig)
&rst
ixpk= 1104, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 985, 986,1145,
&end
#
# 0 AMB 10-2:1111 69 VAL HN 4.50 (# 1111:10 Single Ambig)
&rst
ixpk= 1111, nxpk= 10, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1000,1008,1017,
&end
#
# 0 AMB 10-2:1113 69 VAL HN 5.50 (# 1113:10 Single Ambig)
&rst
ixpk= 1113, nxpk= 10, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1004,1005,1048,1049,
&end
#
# 0 AMB 10-2:1129 72 ILE HN 4.50 (# 1129:10 Single Ambig)
&rst
ixpk= 1129, nxpk= 10, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1085,1086,1087, 376, 377, 378,
&end
#
# 0 AMB 10-2:1132 72 ILE HN 5.50 (# 1132:10 Single Ambig)
&rst
ixpk= 1132, nxpk= 10, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1326,1327,1328,1330,1331,1332, 864, 865, 866, 868,
869, 870,
&end
#
# 0 AMB 10-2:1141 74 THR HN 5.50 (# 1141:10 Single Ambig)
&rst
ixpk= 1141, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1128,1129,1130,1132,1133,1134,1326,1327,1328,1330,
1331,1332,
&end
#
# 0 AMB 10-2:1144 75 LEU HN 3.50 (# 1144:10 Single Ambig)
&rst
ixpk= 1144, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1128,1129,1130,1132,1133,1134,1326,1327,1328,1330,
1331,1332,
&end
#
# 0 AMB 10-2:1146 75 LEU HN 5.50 (# 1146:10 Single Ambig)
&rst
ixpk= 1146, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1313,1314, 332, 333,
&end
#
# 0 AMB 10-2:1157 76 LEU HN 5.50 (# 1157:10 Single Ambig)
&rst
ixpk= 1157, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1159,1107,
&end
#
# 0 AMB 10-2:1158 76 LEU HN 2.80 (# 1158:10 Single Ambig)
&rst
ixpk= 1158, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 296, 297, 298, 300, 301, 302,1182,1183,1184,1186,
1187,1188,1182,1183,1184,1186,1187,1188,
&end
#
# 0 AMB 10-2:1159 76 LEU HN 2.80 (# 1159:10 Single Ambig)
&rst
ixpk= 1159, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1147,1148,1149,1151,1152,1153,1128,1129,1130,1132,
1133,1134,
&end
#
# 0 AMB 10-2:1160 76 LEU HN 4.50 (# 1160:10 Single Ambig)
&rst
ixpk= 1160, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1111,1112,1113,1301,1302,1303,
&end
#
# 0 AMB 10-2:1161 76 LEU HN 3.50 (# 1161:10 Single Ambig)
&rst
ixpk= 1161, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1123,1124, 294,
&end
#
# 0 AMB 10-2:1163 77 VAL HN 5.50 (# 1163:10 Single Ambig)
&rst
ixpk= 1163, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1301,1302,1303, 261, 262, 263, 265, 266, 267,1111,
1112,1113,
&end
#
# 0 AMB 10-2:1164 77 VAL HN 5.50 (# 1164:10 Single Ambig)
&rst
ixpk= 1164, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1254,1255,1256,1258,1259,1260, 310, 311, 312,
&end
#
# 0 AMB 10-2:1171 77 VAL HN 5.50 (# 1171:10 Single Ambig)
&rst
ixpk= 1171, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1138,1248,
&end
#
# 0 AMB 10-2:1176 80 ASP HN 4.50 (# 1176:10 Single Ambig)
&rst
ixpk= 1176, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 275,1202,1203, 237, 238, 711, 712,
&end
#
# 0 AMB 10-2:1178 81 GLY HN 4.50 (# 1178:10 Single Ambig)
&rst
ixpk= 1178, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1182,1183,1184,1186,1187,1188, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 10-2:1188 82 GLU HN 5.50 (# 1188:10 Single Ambig)
&rst
ixpk= 1188, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 224,1250, 226, 227,
&end
#
# 0 AMB 10-2:1191 82 GLU HN 3.50 (# 1191:10 Single Ambig)
&rst
ixpk= 1191, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1177,1178,1180,
&end
#
# 0 AMB 10-2:1192 82 GLU HN 4.50 (# 1192:10 Single Ambig)
&rst
ixpk= 1192, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1182,1183,1184,1186,1187,1188, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 10-2:1198 84 VAL HN 4.50 (# 1198:10 Single Ambig)
&rst
ixpk= 1198, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1180,1177,1178,
&end
#
# 0 AMB 10-2:1202 84 VAL HN 4.50 (# 1202:10 Single Ambig)
&rst
ixpk= 1202, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1163,1164,1165,1167,1168,1169,1182,1183,1184,1186,
1187,1188,
&end
#
# 0 AMB 10-2:1203 86 THR HN 4.50 (# 1203:10 Single Ambig)
&rst
ixpk= 1203, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
1259,1260,
&end
#
# 0 AMB 10-2:1204 86 THR HN 4.50 (# 1204:10 Single Ambig)
&rst
ixpk= 1204, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1301,1302,1303,1111,1112,1113,
&end
#
# 0 AMB 10-2:1209 88 VAL HN 5.50 (# 1209:10 Single Ambig)
&rst
ixpk= 1209, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1111,1112,1113,1301,1302,1303,
&end
#
# 0 AMB 10-2:1213 90 PHE HN 5.50 (# 1213:10 Single Ambig)
&rst
ixpk= 1213, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 513, 514, 515,1326,1327,1328,1330,1331,1332,1128,
1129,1130,1132,1133,1134,
&end
#
# 0 AMB 10-2:1214 90 PHE HN 4.50 (# 1214:10 Single Ambig)
&rst
ixpk= 1214, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1095,1096, 444, 445,
&end
#
# 0 AMB 10-2:1219 90 PHE HN 5.50 (# 1219:10 Single Ambig)
&rst
ixpk= 1219, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1336, 451,
&end
#
# 0 AMB 10-2:1222 91 LYS HN 3.50 (# 1222:10 Single Ambig)
&rst
ixpk= 1222, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1367,1368,1453,
&end
#
# 0 AMB 10-2:1225 91 LYS HN 5.50 (# 1225:10 Single Ambig)
&rst
ixpk= 1225, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
&end
#
# 0 AMB 10-2:1226 93 LYS HN 4.50 (# 1226:10 Single Ambig)
&rst
ixpk= 1226, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1409,1410, 615,
&end
#
# 0 AMB 10-2:123 36 ALA HN 4.50 (# 123:10 Single Ambig)
&rst
ixpk= 123, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 504, 533, 534, 487, 488,
&end
#
# 0 AMB 10-2:1232 94 GLU HN 4.50 (# 1232:10 Single Ambig)
&rst
ixpk= 1232, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1440,1441,1442,1453,1367,1368,
&end
#
# 0 AMB 10-2:1233 94 GLU HN 4.80 (# 1233:10 Single Ambig)
&rst
ixpk= 1233, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1409,1410, 615,
&end
#
# 0 AMB 10-2:1235 99 LEU HN 3.50 (# 1235:10 Single Ambig)
&rst
ixpk= 1235, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1506,1507,1508,1510,1511,1512, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 10-2:1237 99 LEU HN 5.50 (# 1237:10 Single Ambig)
&rst
ixpk= 1237, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1440,1441,1442,1550,1551,1453,1367,1368,
&end
#
# 0 AMB 10-2:1238 99 LEU HN 4.50 (# 1238:10 Single Ambig)
&rst
ixpk= 1238, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1489,1490,1472,1473,
&end
#
# 0 AMB 10-2:1239 99 LEU HN 5.50 (# 1239:10 Single Ambig)
&rst
ixpk= 1239, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1489,1490,1287,1288,
&end
#
# 0 AMB 10-2:1244 100 VAL HN 3.50 (# 1244:10 Single Ambig)
&rst
ixpk= 1244, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1499,1484,
&end
#
# 0 AMB 10-2:1246 100 VAL HN 5.50 (# 1246:10 Single Ambig)
&rst
ixpk= 1246, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,1559,1560,
&end
#
# 0 AMB 10-2:1247 100 VAL HN 3.50 (# 1247:10 Single Ambig)
&rst
ixpk= 1247, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 617, 618, 619, 621, 622, 623, 296, 297, 298, 300,
301, 302,1163,1164,1165,1167,1168,1169,
&end
#
# 0 AMB 10-2:1255 103 HIS HN 4.50 (# 1255:10 Single Ambig)
&rst
ixpk= 1255, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1592,1202,1203,
&end
#
# 0 AMB 10-2:1256 103 HIS HN 3.50 (# 1256:10 Single Ambig)
&rst
ixpk= 1256, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1550,1551,1589,1590,
&end
#
# 0 AMB 10-2:1259 103 HIS HN 5.50 (# 1259:10 Single Ambig)
&rst
ixpk= 1259, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1594,1595,1596,1598,1599,1600,1270,1271,1272,1274,
1275,1276,
&end
#
# 0 AMB 10-2:1262 103 HIS HN 4.50 (# 1262:10 Single Ambig)
&rst
ixpk= 1262, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1548,1499,
&end
#
# 0 AMB 10-2:1271 104 LEU HN 5.50 (# 1271:10 Single Ambig)
&rst
ixpk= 1271, nxpk= 10, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262, 263, 265, 266, 267,1522,1523,1524,1526,
1527,1528,
&end
#
# 0 AMB 10-2:1285 101 ASN HD2- 5.50 (# 1285:10 Single Ambig)
&rst
ixpk= 1285, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1472,1473,1489,1490,
igr2=1541,1542,
&end
#
# 0 AMB 10-2:1286 101 ASN HD2- 3.50 (# 1286:10 Single Ambig)
&rst
ixpk= 1286, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 682, 683, 684,1469,1470,1520,
igr2=1541,1542,
&end
#
# 0 AMB 10-2:1289 60 ASN HD2- 5.50 (# 1289:10 Single Ambig)
&rst
ixpk= 1289, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 112, 88,
igr2= 910, 911,
&end
#
# 0 AMB 10-2:1299 60 ASN HD2- 3.50 (# 1299:10 Single Ambig)
&rst
ixpk= 1299, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 890, 891, 850, 851,
igr2= 910, 911,
&end
#
# 0 AMB 10-2:132 54 LYS HN 2.80 (# 132:10 Single Ambig)
&rst
ixpk= 132, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 809, 810, 73, 74,
&end
#
# 0 AMB 10-2:146 66 LYS HN 2.80 (# 146:10 Single Ambig)
&rst
ixpk= 146, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1000,1008,1017,
&end
#
# 0 AMB 10-2:147 66 LYS HN 2.80 (# 147:10 Single Ambig)
&rst
ixpk= 147, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 980, 973, 974,
&end
#
# 0 AMB 10-2:151 19 VAL HN 3.50 (# 151:10 Single Ambig)
&rst
ixpk= 151, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 257,1194,
&end
#
# 0 AMB 10-2:156 19 VAL HN 3.50 (# 156:10 Single Ambig)
&rst
ixpk= 156, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 10-2:174 62 GLU HN 2.80 (# 174:10 Single Ambig)
&rst
ixpk= 174, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 939, 940, 919, 920,
&end
#
# 0 AMB 10-2:185 64 ALA HN 2.80 (# 185:10 Single Ambig)
&rst
ixpk= 185, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 963, 949,
&end
#
# 0 AMB 10-2:197 55 ILE HN 2.80 (# 197:10 Single Ambig)
&rst
ixpk= 197, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 807, 330,
&end
#
# 29 CYS HB3 29 CYS HN 2.80 (# 205:10 Unique)
&rst
ixpk= 205, nxpk= 10, iat= 425, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 0 AMB 10-2:211 84 VAL HN 2.80 (# 211:10 Single Ambig)
&rst
ixpk= 211, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1270,1271,1272,1274,1275,1276,1254,1255,1256,1258,
1259,1260,
&end
#
# 0 AMB 10-2:217 77 VAL HN 2.80 (# 217:10 Single Ambig)
&rst
ixpk= 217, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
1259,1260,
&end
#
# 0 AMB 10-2:218 77 VAL HN 2.80 (# 218:10 Single Ambig)
&rst
ixpk= 218, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1163,1164,1165,1167,1168,1169,1182,1183,1184,1186,
1187,1188,1182,1183,1184,1186,1187,1188,
&end
#
# 0 AMB 10-2:225 95 ALA HN 2.80 (# 225:10 Single Ambig)
&rst
ixpk= 225, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1440,1441,1442,1367,1368,
&end
#
# 0 AMB 10-2:229 23 ASP HN 2.80 (# 229:10 Single Ambig)
&rst
ixpk= 229, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 807, 318,
&end
#
# 0 AMB 10-2:232 23 ASP HN 3.50 (# 232:10 Single Ambig)
&rst
ixpk= 232, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 310, 311, 312, 812, 813,
&end
#
# 0 AMB 10-2:238 82 GLU HN 5.50 (# 238:10 Single Ambig)
&rst
ixpk= 238, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1214,1264,
&end
#
# 0 AMB 10-2:243 87 SER HN 2.80 (# 243:10 Single Ambig)
&rst
ixpk= 243, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1301,1302,1303,1111,1112,1113,
&end
#
# 0 AMB 10-2:244 87 SER HN 2.80 (# 244:10 Single Ambig)
&rst
ixpk= 244, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1297,1311,
&end
#
# 0 AMB 10-2:248 93 LYS HN 3.50 (# 248:10 Single Ambig)
&rst
ixpk= 248, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1392,1393,1428,1429,
&end
#
# 0 AMB 10-2:252 93 LYS HN 2.80 (# 252:10 Single Ambig)
&rst
ixpk= 252, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 549, 550, 551, 553, 554, 555,1406,1407,
&end
#
# 0 AMB 10-2:259 76 LEU HN 3.50 (# 259:10 Single Ambig)
&rst
ixpk= 259, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1140, 289, 308,
&end
#
# 0 AMB 10-2:265 8 ASP HN 2.80 (# 265:10 Single Ambig)
&rst
ixpk= 265, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 116, 117, 905, 906,
&end
#
# 0 AMB 10-2:266 8 ASP HN 3.50 (# 266:10 Single Ambig)
&rst
ixpk= 266, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 104, 105, 106, 92, 93, 94,
&end
#
# 0 AMB 10-2:268 41 GLU HN 5.50 (# 268:10 Single Ambig)
&rst
ixpk= 268, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 651, 652, 543,
&end
#
# 0 AMB 10-2:275 42 LEU HN 2.80 (# 275:10 Single Ambig)
&rst
ixpk= 275, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 610, 580,
&end
#
# 0 AMB 10-2:278 69 VAL HN 2.80 (# 278:10 Single Ambig)
&rst
ixpk= 278, nxpk= 10, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1023,1024, 963,
&end
#
# 0 AMB 10-2:283 42 LEU HN 2.80 (# 283:10 Single Ambig)
&rst
ixpk= 283, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 593, 639,
&end
#
# 0 AMB 10-2:284 42 LEU HN 2.80 (# 284:10 Single Ambig)
&rst
ixpk= 284, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 597, 598, 663, 664,
&end
#
# 0 AMB 10-2:288 38 VAL HN 4.50 (# 288:10 Single Ambig)
&rst
ixpk= 288, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 519,1353,1357,
&end
#
# 0 AMB 10-2:297 79 LYS HN 2.80 (# 297:10 Single Ambig)
&rst
ixpk= 297, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1177,1178,1180,
&end
#
# 0 AMB 10-2:31 78 LEU HN 5.50 (# 31:10 Single Ambig)
&rst
ixpk= 31, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1192, 287,
&end
#
# 0 AMB 10-2:314 60 ASN HN 2.80 (# 314:10 Single Ambig)
&rst
ixpk= 314, nxpk= 10, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 905, 906, 922, 923,
&end
#
# 0 AMB 10-2:326 96 LEU HN 2.80 (# 326:10 Single Ambig)
&rst
ixpk= 326, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1453,1440,1441,1442,1367,1368,
&end
#
# 0 AMB 10-2:328 96 LEU HN 2.80 (# 328:10 Single Ambig)
&rst
ixpk= 328, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
&end
#
# 0 AMB 10-2:329 43 ASP HN 5.50 (# 329:10 Single Ambig)
&rst
ixpk= 329, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 671, 31,
&end
#
# 0 AMB 10-2:330 43 ASP HN 2.80 (# 330:10 Single Ambig)
&rst
ixpk= 330, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 639, 593,
&end
#
# 0 AMB 10-2:332 43 ASP HN 3.50 (# 332:10 Single Ambig)
&rst
ixpk= 332, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 580, 610,
&end
#
# 0 AMB 10-2:335 43 ASP HN 2.80 (# 335:10 Single Ambig)
&rst
ixpk= 335, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 612, 613, 615,
&end
#
# 0 AMB 10-2:336 43 ASP HN 2.80 (# 336:10 Single Ambig)
&rst
ixpk= 336, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744, 41,
42,
&end
#
# 0 AMB 10-2:347 101 ASN HN 2.80 (# 347:10 Single Ambig)
&rst
ixpk= 347, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1546,1497,
&end
#
# 0 AMB 10-2:349 101 ASN HN 3.50 (# 349:10 Single Ambig)
&rst
ixpk= 349, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1484,1499,
&end
#
# 0 AMB 10-2:35 78 LEU HN 2.80 (# 35:10 Single Ambig)
&rst
ixpk= 35, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1177,1178,1180,
&end
#
# 0 AMB 10-2:352 101 ASN HN 2.80 (# 352:10 Single Ambig)
&rst
ixpk= 352, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1520, 682, 683, 684,
&end
#
# 0 AMB 10-2:36 78 LEU HN 2.80 (# 36:10 Single Ambig)
&rst
ixpk= 36, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1182,1183,1184,1186,1187,1188,1182,1183,1184,1186,
1187,1188,1163,1164,1165,1167,1168,1169,
&end
#
# 0 AMB 10-2:37 78 LEU HN 2.80 (# 37:10 Single Ambig)
&rst
ixpk= 37, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1163,1164,1165,1167,1168,1169, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 10-2:380 17 GLU HN 2.80 (# 380:10 Single Ambig)
&rst
ixpk= 380, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 224, 226, 227,
&end
#
# 0 AMB 10-2:388 99 LEU HN 2.80 (# 388:10 Single Ambig)
&rst
ixpk= 388, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1499,1484,
&end
#
# 0 AMB 10-2:389 99 LEU HN 2.80 (# 389:10 Single Ambig)
&rst
ixpk= 389, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1486,1487,1469,1470,
&end
#
# 0 AMB 10-2:404 39 LEU HN 2.80 (# 404:10 Single Ambig)
&rst
ixpk= 404, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
&end
#
# 0 AMB 10-2:410 98 GLU HN 2.80 (# 410:10 Single Ambig)
&rst
ixpk= 410, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1472,1473,1489,1490,
&end
#
# 0 AMB 10-2:411 98 GLU HN 2.80 (# 411:10 Single Ambig)
&rst
ixpk= 411, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1486,1487,1469,1470,
&end
#
# 0 AMB 10-2:418 40 GLU HN 2.80 (# 418:10 Single Ambig)
&rst
ixpk= 418, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 580, 521,
&end
#
# 0 AMB 10-2:422 40 GLU HN 2.80 (# 422:10 Single Ambig)
&rst
ixpk= 422, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 563, 564, 597, 598,
&end
#
# 0 AMB 10-2:43 22 ALA HN 2.80 (# 43:10 Single Ambig)
&rst
ixpk= 43, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 289, 308,
&end
#
# 0 AMB 10-2:434 45 GLU HN 2.80 (# 434:10 Single Ambig)
&rst
ixpk= 434, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 663, 664, 643, 644,
&end
#
# 0 AMB 10-2:438 35 ILE HN 2.80 (# 438:10 Single Ambig)
&rst
ixpk= 438, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 519,1353,1357,
&end
#
# 0 AMB 10-2:440 35 ILE HN 2.80 (# 440:10 Single Ambig)
&rst
ixpk= 440, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 504, 487, 488,
&end
#
# 0 AMB 10-2:445 34 MET HN 4.50 (# 445:10 Single Ambig)
&rst
ixpk= 445, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 519,1353,1357,
&end
#
# 0 AMB 10-2:45 22 ALA HN 2.80 (# 45:10 Single Ambig)
&rst
ixpk= 45, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 296, 297, 298, 300, 301, 302,1182,1183,1184,1186,
1187,1188,
&end
#
# 0 AMB 10-2:454 102 LYS HN 2.80 (# 454:10 Single Ambig)
&rst
ixpk= 454, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1548,1499,
&end
#
# 0 AMB 10-2:455 102 LYS HN 2.80 (# 455:10 Single Ambig)
&rst
ixpk= 455, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1550,1551,1556,1557,
&end
#
# 0 AMB 10-2:458 102 LYS HN 3.50 (# 458:10 Single Ambig)
&rst
ixpk= 458, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1536,1537,1559,1560,
&end
#
# 0 AMB 10-2:463 59 GLU HN 2.80 (# 463:10 Single Ambig)
&rst
ixpk= 463, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 890, 891, 893, 894, 850, 851,
&end
#
# 0 AMB 10-2:469 94 GLU HN 3.50 (# 469:10 Single Ambig)
&rst
ixpk= 469, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1428,1429,1392,1393,
&end
#
# 0 AMB 10-2:47 20 VAL HN 4.50 (# 47:10 Single Ambig)
&rst
ixpk= 47, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 287,1192,
&end
#
# 0 AMB 10-2:470 94 GLU HN 2.80 (# 470:10 Single Ambig)
&rst
ixpk= 470, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1392,1393,1472,1473,
&end
#
# 0 AMB 10-2:48 20 VAL HN 2.80 (# 48:10 Single Ambig)
&rst
ixpk= 48, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 257,1194,
&end
#
# 0 AMB 10-2:484 12 SER HN 2.80 (# 484:10 Single Ambig)
&rst
ixpk= 484, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 183, 193,
&end
#
# 0 AMB 10-2:494 16 SER HN 4.50 (# 494:10 Single Ambig)
&rst
ixpk= 494, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 193, 183,
&end
#
# 0 AMB 10-2:496 16 SER HN 2.80 (# 496:10 Single Ambig)
&rst
ixpk= 496, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 226, 227, 224,
&end
#
# 0 AMB 10-2:50 20 VAL HN 2.80 (# 50:10 Single Ambig)
&rst
ixpk= 50, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 277, 278, 279, 281, 282, 283, 261, 262, 263, 265,
266, 267, 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 10-2:501 46 MET HN 3.50 (# 501:10 Single Ambig)
&rst
ixpk= 501, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 658, 690, 691,
&end
#
# 0 AMB 10-2:524 10 SER HN 5.50 (# 524:10 Single Ambig)
&rst
ixpk= 524, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 112, 88,
&end
#
# 0 AMB 10-2:530 67 TYR HN 3.50 (# 530:10 Single Ambig)
&rst
ixpk= 530, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1028, 971,
&end
#
# 0 AMB 10-2:57 4 VAL HN 3.50 (# 57:10 Single Ambig)
&rst
ixpk= 57, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 776, 777, 778, 41, 42, 783, 784, 785,
&end
#
# 0 AMB 10-2:574 100 VAL HN 2.80 (# 574:10 Single Ambig)
&rst
ixpk= 574, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1497,1546,
&end
#
# 0 AMB 10-2:586 32 CYS HN 3.50 (# 586:10 Single Ambig)
&rst
ixpk= 586, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 438, 439, 432, 433,
&end
#
# 0 AMB 10-2:601 47 GLY HN 2.80 (# 601:10 Single Ambig)
&rst
ixpk= 601, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 671, 695,
&end
#
# 0 AMB 10-2:602 47 GLY HN 5.50 (# 602:10 Single Ambig)
&rst
ixpk= 602, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 729, 639,
&end
#
# 0 AMB 10-2:608 18 GLY HN 2.80 (# 608:10 Single Ambig)
&rst
ixpk= 608, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 250, 251, 224,
&end
#
# 0 AMB 10-2:621 7 THR HN 2.80 (# 621:10 Single Ambig)
&rst
ixpk= 621, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 92, 93, 94, 104, 105, 106,
&end
#
# 0 AMB 10-2:630 81 GLY HN 2.80 (# 630:10 Single Ambig)
&rst
ixpk= 630, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1228,1229,1216,
&end
#
# 0 AMB 10-2:632 15 THR HN 2.80 (# 632:10 Single Ambig)
&rst
ixpk= 632, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 193, 183,
&end
#
# 0 AMB 10-2:638 65 GLY HN 5.50 (# 638:10 Single Ambig)
&rst
ixpk= 638, nxpk= 10, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1=1000,1008,1017, 338, 342,
&end
#
# 0 AMB 10-2:655 3 ILE HN 5.50 (# 655:10 Single Ambig)
&rst
ixpk= 655, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 50, 770,
&end
#
# 0 AMB 10-2:657 4 VAL HN 3.50 (# 657:10 Single Ambig)
&rst
ixpk= 657, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 10-2:659 4 VAL HN 4.50 (# 659:10 Single Ambig)
&rst
ixpk= 659, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 31, 66,
&end
#
# 0 AMB 10-2:660 5 LYS HN 4.50 (# 660:10 Single Ambig)
&rst
ixpk= 660, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 73, 74, 92, 93, 94,
&end
#
# 0 AMB 10-2:661 5 LYS HN 4.50 (# 661:10 Single Ambig)
&rst
ixpk= 661, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 73, 74, 809, 810,
&end
#
# 0 AMB 10-2:664 5 LYS HN 4.50 (# 664:10 Single Ambig)
&rst
ixpk= 664, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 50, 805,
&end
#
# 0 AMB 10-2:667 6 ALA HN 3.50 (# 667:10 Single Ambig)
&rst
ixpk= 667, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 73, 74, 809, 810,
&end
#
# 0 AMB 10-2:668 6 ALA HN 3.50 (# 668:10 Single Ambig)
&rst
ixpk= 668, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 10-2:670 7 THR HN 5.50 (# 670:10 Single Ambig)
&rst
ixpk= 670, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 128, 129, 200, 201,
&end
#
# 0 AMB 10-2:676 7 THR HN 4.50 (# 676:10 Single Ambig)
&rst
ixpk= 676, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 112, 88,
&end
#
# 0 AMB 10-2:677 8 ASP HN 5.50 (# 677:10 Single Ambig)
&rst
ixpk= 677, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 128, 129, 919, 920,
&end
#
# 0 AMB 10-2:678 8 ASP HN 4.50 (# 678:10 Single Ambig)
&rst
ixpk= 678, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906, 131, 132,
&end
#
# 0 AMB 10-2:690 9 GLN HN 4.50 (# 690:10 Single Ambig)
&rst
ixpk= 690, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 104, 105, 106, 92, 93, 94,
&end
#
# 0 AMB 10-2:694 10 SER HN 4.50 (# 694:10 Single Ambig)
&rst
ixpk= 694, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 92, 93, 94, 104, 105, 106,
&end
#
# 0 AMB 10-2:695 10 SER HN 5.50 (# 695:10 Single Ambig)
&rst
ixpk= 695, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 131, 132, 200, 201,
&end
#
# 0 AMB 10-2:699 11 PHE HN 4.50 (# 699:10 Single Ambig)
&rst
ixpk= 699, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 183, 193,
&end
#
# 0 AMB 10-2:708 12 SER HN 5.50 (# 708:10 Single Ambig)
&rst
ixpk= 708, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 187, 188, 189, 988, 989,
&end
#
# 0 AMB 10-2:716 13 ALA HN 5.50 (# 716:10 Single Ambig)
&rst
ixpk= 716, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 195, 126,
&end
#
# 0 AMB 10-2:718 14 GLU HN 5.50 (# 718:10 Single Ambig)
&rst
ixpk= 718, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 10-2:731 15 THR HN 5.50 (# 731:10 Single Ambig)
&rst
ixpk= 731, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 187, 188, 189, 793, 755, 756,
&end
#
# 0 AMB 10-2:732 15 THR HN 5.50 (# 732:10 Single Ambig)
&rst
ixpk= 732, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 10-2:733 15 THR HN 5.50 (# 733:10 Single Ambig)
&rst
ixpk= 733, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
1187,1188,
&end
#
# 0 AMB 10-2:737 16 SER HN 3.50 (# 737:10 Single Ambig)
&rst
ixpk= 737, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 185, 212,
&end
#
# 0 AMB 10-2:738 16 SER HN 5.50 (# 738:10 Single Ambig)
&rst
ixpk= 738, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 235, 143,
&end
#
# 0 AMB 10-2:741 85 GLU HN 4.70 (# 741:10 Single Ambig)
&rst
ixpk= 741, nxpk= 10, iat=1140,1280, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 0 AMB 10-2:743 17 GLU HN 4.50 (# 743:10 Single Ambig)
&rst
ixpk= 743, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 226, 227, 250, 251,
&end
#
# 0 AMB 10-2:744 17 GLU HN 3.50 (# 744:10 Single Ambig)
&rst
ixpk= 744, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 210,1216,
&end
#
# 0 AMB 10-2:746 85 GLU HN 4.50 (# 746:10 Single Ambig)
&rst
ixpk= 746, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1287,1288,1252,
&end
#
# 0 AMB 10-2:750 85 GLU HN 3.50 (# 750:10 Single Ambig)
&rst
ixpk= 750, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1163,1164,1165,1167,1168,1169,1182,1183,1184,1186,
1187,1188,1182,1183,1184,1186,1187,1188,
&end
#
# 0 AMB 10-2:752 18 GLY HN 4.50 (# 752:10 Single Ambig)
&rst
ixpk= 752, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 237, 238, 275, 711, 712, 752, 753,
&end
#
# 0 AMB 10-2:753 18 GLY HN 4.50 (# 753:10 Single Ambig)
&rst
ixpk= 753, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 237, 238, 711, 712,
&end
#
# 0 AMB 10-2:761 20 VAL HN 2.80 (# 761:10 Single Ambig)
&rst
ixpk= 761, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 10-2:763 20 VAL HN 4.50 (# 763:10 Single Ambig)
&rst
ixpk= 763, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1177,1178,1180,
&end
#
# 0 AMB 10-2:768 20 VAL HN 5.50 (# 768:10 Single Ambig)
&rst
ixpk= 768, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1214,1264,
&end
#
# 0 AMB 10-2:771 21 LEU HN 3.50 (# 771:10 Single Ambig)
&rst
ixpk= 771, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 289, 308,
&end
#
# 0 AMB 10-2:775 22 ALA HN 4.50 (# 775:10 Single Ambig)
&rst
ixpk= 775, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1128,1129,1130,1132,1133,1134, 780, 781,1506,1507,
1508,1510,1511,1512,1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 10-2:776 22 ALA HN 4.50 (# 776:10 Single Ambig)
&rst
ixpk= 776, nxpk= 10, iat= 294, 306, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 10-2:777 22 ALA HN 5.50 (# 777:10 Single Ambig)
&rst
ixpk= 777, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1142,1143, 793,
&end
#
# 0 AMB 10-2:778 22 ALA HN 3.50 (# 778:10 Single Ambig)
&rst
ixpk= 778, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1142,1143, 780, 781,
&end
#
# 0 AMB 10-2:782 22 ALA HN 4.50 (# 782:10 Single Ambig)
&rst
ixpk= 782, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 287, 805,
&end
#
# 0 AMB 10-2:785 78 LEU HN 5.50 (# 785:10 Single Ambig)
&rst
ixpk= 785, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1264,1214,
&end
#
# 0 AMB 10-2:786 78 LEU HN 3.50 (# 786:10 Single Ambig)
&rst
ixpk= 786, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 289,1140,
&end
#
# 0 AMB 10-2:789 78 LEU HN 5.50 (# 789:10 Single Ambig)
&rst
ixpk= 789, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 291, 292, 310, 311, 312,1254,1255,1256,1258,1259,
1260,
&end
#
# 0 AMB 10-2:791 23 ASP HN 4.50 (# 791:10 Single Ambig)
&rst
ixpk= 791, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 10-2:796 87 SER HN 3.50 (# 796:10 Single Ambig)
&rst
ixpk= 796, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1123,1124,1161,
&end
#
# 0 AMB 10-2:798 23 ASP HN 3.50 (# 798:10 Single Ambig)
&rst
ixpk= 798, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 789, 805,
&end
#
# 0 AMB 10-2:804 24 PHE HN 5.50 (# 804:10 Single Ambig)
&rst
ixpk= 804, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1128,1129,1130,1132,1133,1134, 864, 865, 866, 868,
869, 870,
&end
#
# 0 AMB 10-2:816 26 ALA HN 2.80 (# 816:10 Single Ambig)
&rst
ixpk= 816, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1085,1086,1087, 376, 377, 378,
&end
#
# 0 AMB 10-2:819 26 ALA HN 3.50 (# 819:10 Single Ambig)
&rst
ixpk= 819, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 456, 374,
&end
#
# 28 TRP HA 28 TRP HN 2.90 (# 824:11 Single Ambig)
&rst
ixpk= 824, nxpk= 11, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 29 CYS HA 28 TRP HN 5.00 (# 824:12 Single Ambig)
&rst
ixpk= 824, nxpk= 12, iat= 422, 396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 PRO HD- 28 TRP HN 4.50 (# 829:10 Unique)
&rst
ixpk= 829, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 383, 384,
&end
#
# 29 CYS HA 29 CYS HN 2.80 (# 834:11 Single Ambig)
&rst
ixpk= 834, nxpk= 11, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 28 TRP HA 29 CYS HN 3.50 (# 834:12 Single Ambig)
&rst
ixpk= 834, nxpk= 12, iat= 398, 420, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ALA MB 29 CYS HN 3.50 (# 837:10 Unique)
&rst
ixpk= 837, nxpk= 10, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 376, 377, 378,
&end
#
# 0 AMB 10-2:838 95 ALA HN 4.50 (# 838:10 Single Ambig)
&rst
ixpk= 838, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1450,1451,1403,1404,1504,
&end
#
# 0 AMB 10-2:841 95 ALA HN 4.50 (# 841:10 Single Ambig)
&rst
ixpk= 841, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1392,1393,1428,1429,
&end
#
# 0 AMB 10-2:842 95 ALA HN 4.50 (# 842:10 Single Ambig)
&rst
ixpk= 842, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1386,1387,1401,
&end
#
# 0 AMB 10-2:846 32 CYS HN 5.50 (# 846:10 Single Ambig)
&rst
ixpk= 846, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 425, 474, 475,1347,1348,
&end
#
# 0 AMB 10-2:85 6 ALA HN 4.50 (# 85:10 Single Ambig)
&rst
ixpk= 85, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 66, 152,
&end
#
# 0 AMB 10-2:853 89 GLY HN 2.80 (# 853:10 Single Ambig)
&rst
ixpk= 853, nxpk= 10, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1326,1327,1328,1330,1331,1332,1128,1129,1130,1132,
1133,1134,
&end
#
# 0 AMB 10-2:855 33 LYS HN 4.50 (# 855:10 Single Ambig)
&rst
ixpk= 855, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 432, 433, 438, 439,
&end
#
# 0 AMB 10-2:857 33 LYS HN 4.50 (# 857:10 Single Ambig)
&rst
ixpk= 857, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 453, 447,
&end
#
# 0 AMB 10-2:859 33 LYS HN 5.50 (# 859:10 Single Ambig)
&rst
ixpk= 859, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 474, 475, 474, 475,
&end
#
# 0 AMB 10-2:860 33 LYS HN 4.50 (# 860:10 Single Ambig)
&rst
ixpk= 860, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 456,1092,1093,
&end
#
# 0 AMB 10-2:865 34 MET HN 3.50 (# 865:10 Single Ambig)
&rst
ixpk= 865, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 447, 453,
&end
#
# 0 AMB 10-2:869 35 ILE HN 4.50 (# 869:10 Single Ambig)
&rst
ixpk= 869, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 510, 511, 494, 495, 496,
&end
#
# 0 AMB 10-2:870 35 ILE HN 5.50 (# 870:10 Single Ambig)
&rst
ixpk= 870, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1095,1096, 444, 445, 468, 469,
&end
#
# 0 AMB 10-2:873 35 ILE HN 5.50 (# 873:10 Single Ambig)
&rst
ixpk= 873, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 530, 531, 521,
&end
#
# 0 AMB 10-2:874 35 ILE HN 3.50 (# 874:10 Single Ambig)
&rst
ixpk= 874, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 453, 447,
&end
#
# 0 AMB 10-2:875 35 ILE HN 3.50 (# 875:10 Single Ambig)
&rst
ixpk= 875, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 485, 455,
&end
#
# 0 AMB 10-2:878 44 GLN HN 4.50 (# 878:10 Single Ambig)
&rst
ixpk= 878, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 580, 610,
&end
#
# 0 AMB 10-2:881 44 GLN HN 5.50 (# 881:10 Single Ambig)
&rst
ixpk= 881, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 612, 613, 41, 42,
&end
#
# 0 AMB 10-2:882 44 GLN HN 5.50 (# 882:10 Single Ambig)
&rst
ixpk= 882, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 44, 45, 46, 617, 618, 619, 621, 622, 623, 617,
618, 619, 621, 622, 623,
&end
#
# 0 AMB 10-2:883 44 GLN HN 5.50 (# 883:10 Single Ambig)
&rst
ixpk= 883, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744, 41,
42,
&end
#
# 0 AMB 10-2:885 36 ALA HN 4.50 (# 885:10 Single Ambig)
&rst
ixpk= 885, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 539,
&end
#
# 0 AMB 10-2:886 36 ALA HN 5.50 (# 886:10 Single Ambig)
&rst
ixpk= 886, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 453, 447,
&end
#
# 0 AMB 10-2:888 36 ALA HN 5.50 (# 888:10 Single Ambig)
&rst
ixpk= 888, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 566, 468, 469,1095,1096, 444, 445,
&end
#
# 0 AMB 10-2:890 38 VAL HN 5.50 (# 890:10 Single Ambig)
&rst
ixpk= 890, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
&end
#
# 0 AMB 10-2:891 38 VAL HN 5.50 (# 891:10 Single Ambig)
&rst
ixpk= 891, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 566,1403,1404,1450,1451,
&end
#
# 0 AMB 10-2:892 38 VAL HN 4.50 (# 892:10 Single Ambig)
&rst
ixpk= 892, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 536, 537, 585, 586,
&end
#
# 0 AMB 10-2:895 38 VAL HN 3.50 (# 895:10 Single Ambig)
&rst
ixpk= 895, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 502, 539,
&end
#
# 0 AMB 10-2:897 39 LEU HN 4.50 (# 897:10 Single Ambig)
&rst
ixpk= 897, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 502, 539,
&end
#
# 0 AMB 10-2:898 39 LEU HN 4.50 (# 898:10 Single Ambig)
&rst
ixpk= 898, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 612, 613, 41, 42,
&end
#
# 0 AMB 10-2:899 39 LEU HN 3.50 (# 899:10 Single Ambig)
&rst
ixpk= 899, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 549, 550, 551, 553, 554, 555, 780, 781,
&end
#
# 0 AMB 10-2:901 40 GLU HN 3.50 (# 901:10 Single Ambig)
&rst
ixpk= 901, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 44, 45, 46, 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 10-2:903 40 GLU HN 4.50 (# 903:10 Single Ambig)
&rst
ixpk= 903, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 566, 774,
&end
#
# 0 AMB 10-2:907 40 GLU HN 4.50 (# 907:10 Single Ambig)
&rst
ixpk= 907, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 543, 651, 652,
&end
#
# 0 AMB 10-2:912 98 GLU HN 5.50 (# 912:10 Single Ambig)
&rst
ixpk= 912, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1501,1502,1389,1390,
&end
#
# 0 AMB 10-2:913 98 GLU HN 4.50 (# 913:10 Single Ambig)
&rst
ixpk= 913, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1504,1450,1451,
&end
#
# 0 AMB 10-2:914 98 GLU HN 5.50 (# 914:10 Single Ambig)
&rst
ixpk= 914, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1501,1502, 615,1556,1557,1550,1551,1373,1374,
&end
#
# 0 AMB 10-2:915 98 GLU HN 5.50 (# 915:10 Single Ambig)
&rst
ixpk= 915, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1440,1441,1442,1453,1367,1368,1550,1551,
&end
#
# 0 AMB 10-2:916 98 GLU HN 5.50 (# 916:10 Single Ambig)
&rst
ixpk= 916, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 10-2:917 41 GLU HN 5.50 (# 917:10 Single Ambig)
&rst
ixpk= 917, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
igr1= 617, 618, 619, 621, 622, 623, 44, 45, 46, 568,
569, 570, 572, 573, 574,
&end
#
# 0 AMB 10-2:918 41 GLU HN 5.50 (# 918:10 Single Ambig)
&rst
ixpk= 918, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1= 549, 550, 551, 553, 554, 555, 563, 564,1406,1407,
&end
#
# 0 AMB 10-2:919 41 GLU HN 4.50 (# 919:10 Single Ambig)
&rst
ixpk= 919, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1= 612, 613,1409,1410, 615,
&end
#
# 0 AMB 10-2:921 41 GLU HN 3.50 (# 921:10 Single Ambig)
&rst
ixpk= 921, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 580, 610,
&end
#
# 0 AMB 10-2:924 42 LEU HN 4.50 (# 924:10 Single Ambig)
&rst
ixpk= 924, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1477,1478, 578,
&end
#
# 0 AMB 10-2:926 42 LEU HN 4.50 (# 926:10 Single Ambig)
&rst
ixpk= 926, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 600, 601, 678, 679,
&end
#
# 0 AMB 10-2:927 42 LEU HN 5.50 (# 927:10 Single Ambig)
&rst
ixpk= 927, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1412,1413, 631, 632,
&end
#
# 0 AMB 10-2:928 42 LEU HN 5.50 (# 928:10 Single Ambig)
&rst
ixpk= 928, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
igr1=1406,1407, 549, 550, 551, 553, 554, 555, 563, 564,
&end
#
# 0 AMB 10-2:929 42 LEU HN 3.50 (# 929:10 Single Ambig)
&rst
ixpk= 929, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 10-2:930 42 LEU HN 4.50 (# 930:10 Single Ambig)
&rst
ixpk= 930, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 783, 784, 785, 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 10-2:931 43 ASP HN 3.50 (# 931:10 Single Ambig)
&rst
ixpk= 931, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 44, 45, 46, 617, 618, 619, 621, 622, 623, 568,
569, 570, 572, 573, 574,
&end
#
# 0 AMB 10-2:932 43 ASP HN 4.50 (# 932:10 Single Ambig)
&rst
ixpk= 932, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 660, 661, 582, 583, 675, 676,
&end
#
# 0 AMB 10-2:933 43 ASP HN 4.50 (# 933:10 Single Ambig)
&rst
ixpk= 933, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 643, 644, 597, 598, 663, 664,1472,1473,
&end
#
# 0 AMB 10-2:936 44 GLN HN 5.50 (# 936:10 Single Ambig)
&rst
ixpk= 936, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 671, 31,
&end
#
# 0 AMB 10-2:937 45 GLU HN 5.50 (# 937:10 Single Ambig)
&rst
ixpk= 937, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 615, 612, 613,
&end
#
# 0 AMB 10-2:938 45 GLU HN 5.50 (# 938:10 Single Ambig)
&rst
ixpk= 938, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 617, 618, 619, 621, 622, 623, 44, 45, 46,
&end
#
# 0 AMB 10-2:939 45 GLU HN 4.50 (# 939:10 Single Ambig)
&rst
ixpk= 939, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 678, 679, 646, 647,
&end
#
# 0 AMB 10-2:944 46 MET HN 5.50 (# 944:10 Single Ambig)
&rst
ixpk= 944, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 639, 729,
&end
#
# 0 AMB 10-2:950 47 GLY HN 5.50 (# 950:10 Single Ambig)
&rst
ixpk= 950, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 678, 679, 646, 647,
&end
#
# 0 AMB 10-2:951 47 GLY HN 5.50 (# 951:10 Single Ambig)
&rst
ixpk= 951, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 678, 679, 663, 664, 646, 647,
&end
#
# 0 AMB 10-2:954 47 GLY HN 4.50 (# 954:10 Single Ambig)
&rst
ixpk= 954, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 675, 676, 660, 661, 682, 683, 684,
&end
#
# 0 AMB 10-2:955 47 GLY HN 5.50 (# 955:10 Single Ambig)
&rst
ixpk= 955, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 738, 739, 740, 742, 743, 744, 783, 784, 785,
&end
#
# 0 AMB 10-2:961 48 ASP HN 5.50 (# 961:10 Single Ambig)
&rst
ixpk= 961, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 675, 676, 682, 683, 684, 259,
&end
#
# 0 AMB 10-2:963 97 GLN HN 4.50 (# 963:10 Single Ambig)
&rst
ixpk= 963, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1453,1440,1441,1442,1367,1368,
&end
#
# 0 AMB 10-2:966 97 GLN HN 4.50 (# 966:10 Single Ambig)
&rst
ixpk= 966, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
&end
#
# 0 AMB 10-2:967 97 GLN HN 3.50 (# 967:10 Single Ambig)
&rst
ixpk= 967, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 10-2:968 97 GLN HN 5.50 (# 968:10 Single Ambig)
&rst
ixpk= 968, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 549, 550, 551, 553, 554, 555,1506,1507,1508,1510,
1511,1512,1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 10-2:969 101 ASN HN 4.50 (# 969:10 Single Ambig)
&rst
ixpk= 969, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1589,1590,1550,1551,1501,1502,1556,1557,
&end
#
# 0 AMB 10-2:985 49 LYS HN 5.50 (# 985:10 Single Ambig)
&rst
ixpk= 985, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 675, 676, 259, 682, 683, 684,
&end
#
# 0 AMB 10-2:988 49 LYS HN 5.50 (# 988:10 Single Ambig)
&rst
ixpk= 988, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 261, 262, 263, 265, 266, 267, 738, 739, 740, 742,
743, 744, 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 10-2:989 50 LEU HN 3.50 (# 989:10 Single Ambig)
&rst
ixpk= 989, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
743, 744, 261, 262, 263, 265, 266, 267, 783, 784,
785,
&end
#
# 0 AMB 10-2:993 50 LEU HN 3.50 (# 993:10 Single Ambig)
&rst
ixpk= 993, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 675, 676, 259,
&end
#
# 0 AMB 10-2:996 50 LEU HN 5.50 (# 996:10 Single Ambig)
&rst
ixpk= 996, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 673, 750,
&end
#
# 0 AMB 10-2:997 96 LEU HN 3.50 (# 997:10 Single Ambig)
&rst
ixpk= 997, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1438,1365,
&end
#
# 0 AMB 10-2:999 96 LEU HN 3.50 (# 999:10 Single Ambig)
&rst
ixpk= 999, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1401,1386,1387,
&end
#
# 0 AMB 20-2:1001 0 AMB 20-1:1001 3.50 (# 1001:20 Double Ambig)
&rst
ixpk= 1001, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 758, 759, 758, 759,
&end
#
# 0 AMB 20-2:1020 0 AMB 20-1:1020 2.80 (# 1020:20 Double Ambig)
&rst
ixpk= 1020, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,1254,
1255,1256,1258,1259,1260,
igr2= 510, 511, 510, 511, 988, 989,
&end
#
# 0 AMB 20-2:1026 0 AMB 20-1:1026 2.80 (# 1026:20 Double Ambig)
&rst
ixpk= 1026, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 504,1284,1285,1486,1487,
igr2= 510, 511,1556,1557,
&end
#
# 0 AMB 20-2:1030 0 AMB 20-1:1030 2.80 (# 1030:20 Double Ambig)
&rst
ixpk= 1030, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1= 985, 986,1182,1183,1184,1186,1187,1188,1182,1183,
1184,1186,1187,1188,
igr2= 988, 989, 988, 989, 988, 989,
&end
#
# 0 AMB 20-2:1045 0 AMB 20-1:1045 4.50 (# 1045:20 Double Ambig)
&rst
ixpk= 1045, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 116, 117, 905, 906,
igr2= 936, 937, 936, 937,
&end
#
# 0 AMB 20-2:1049 0 AMB 20-1:1049 2.80 (# 1049:20 Double Ambig)
&rst
ixpk= 1049, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1559,1560,1412,1413,
igr2=1556,1557,1409,1410,
&end
#
# 0 AMB 20-2:1050 0 AMB 20-1:1050 2.80 (# 1050:20 Double Ambig)
&rst
ixpk= 1050, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 597, 598, 663, 664,
igr2=1409,1410,1409,1410,
&end
#
# 0 AMB 20-2:1055 0 AMB 20-1:1055 2.80 (# 1055:20 Double Ambig)
&rst
ixpk= 1055, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 37, 38, 39, 568, 569, 570, 572, 573, 574,
igr2= 815, 816, 815, 816,
&end
#
# 0 AMB 20-2:1057 0 AMB 20-1:1057 2.80 (# 1057:20 Double Ambig)
&rst
ixpk= 1057, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 809, 810, 76, 77,
igr2= 815, 816, 815, 816,
&end
#
# 0 AMB 20-2:1070 0 AMB 20-1:1070 2.80 (# 1070:20 Double Ambig)
&rst
ixpk= 1070, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1128,1129,1130,1132,1133,1134,1594,1595,1596,1598,
1599,1600,
igr2=1126, 717, 718,
&end
#
# 0 AMB 20-2:1083 0 AMB 20-1:1083 2.80 (# 1083:20 Double Ambig)
&rst
ixpk= 1083, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1477,1478, 578,
igr2=1469,1470, 582, 583,
&end
#
# 0 AMB 20-2:1084 0 AMB 20-1:1084 4.50 (# 1084:20 Double Ambig)
&rst
ixpk= 1084, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 143,
igr2= 128, 129, 128, 129,
&end
#
# 0 AMB 20-2:1085 0 AMB 20-1:1085 2.80 (# 1085:20 Double Ambig)
&rst
ixpk= 1085, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 539, 145, 146,
igr2= 582, 583, 128, 129,
&end
#
# 0 AMB 20-2:1089 0 AMB 20-1:1089 2.80 (# 1089:20 Double Ambig)
&rst
ixpk= 1089, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 922, 923, 131, 132, 678, 679,
igr2= 919, 920, 128, 129,1469,1470,
&end
#
# 0 AMB 20-2:1090 0 AMB 20-1:1090 2.80 (# 1090:20 Double Ambig)
&rst
ixpk= 1090, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1472,1473, 585, 586,
igr2=1469,1470, 582, 583,
&end
#
# 0 AMB 20-2:1091 0 AMB 20-1:1091 3.50 (# 1091:20 Double Ambig)
&rst
ixpk= 1091, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623, 44, 45, 46,
igr2=1469,1470, 582, 583,
&end
#
# 0 AMB 20-2:1110 0 AMB 20-1:1110 3.50 (# 1110:20 Double Ambig)
&rst
ixpk= 1110, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 444, 445,1095,1096,
igr2= 441, 442, 441, 442,
&end
#
# 94 GLU HA 0 AMB 20-1:1118 2.80 (# 1118:20 Single Ambig)
&rst
ixpk= 1118, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1425,1426,1469,1470,
&end
#
# 0 AMB 20-2:1119 0 AMB 20-1:1119 2.80 (# 1119:20 Double Ambig)
&rst
ixpk= 1119, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1428,1429,1392,1393,
igr2=1425,1426,1425,1426,
&end
#
# 0 AMB 20-2:1120 0 AMB 20-1:1120 2.80 (# 1120:20 Double Ambig)
&rst
ixpk= 1120, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1428,1429,1472,1473,
igr2=1425,1426,1469,1470,
&end
#
# 0 AMB 20-2:1128 0 AMB 20-1:1128 2.80 (# 1128:20 Double Ambig)
&rst
ixpk= 1128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744,
igr2= 780, 781, 780, 781,
&end
#
# 0 AMB 20-2:1177 0 AMB 20-1:1177 2.80 (# 1177:20 Double Ambig)
&rst
ixpk= 1177, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 291, 292,1254,1255,1256,1258,1259,1260, 310, 311,
312,
igr2= 296, 297, 298, 300, 301, 302,1145,
&end
#
# 0 AMB 20-2:1184 0 AMB 20-1:1184 2.80 (# 1184:20 Double Ambig)
&rst
ixpk= 1184, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1594,1595,1596,1598,1599,1600, 513, 514, 515,
igr2=1592, 566,
&end
#
# 0 AMB 20-2:1189 0 AMB 20-1:1189 4.00 (# 1189:20 Double Ambig)
&rst
ixpk= 1189, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
igr1=1301,1302,1303, 261, 262, 263, 265, 266, 267,
igr2=1145, 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1190 0 AMB 20-1:1190 2.80 (# 1190:20 Double Ambig)
&rst
ixpk= 1190, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1522,1523,1524,1526,1527,1528,1147,1148,1149,1151,
1152,1153, 513, 514, 515,
igr2= 296, 297, 298, 300, 301, 302,1145, 568, 569, 570,
572, 573, 574,
&end
#
# 0 AMB 20-2:1192 0 AMB 20-1:1192 5.50 (# 1192:20 Double Ambig)
&rst
ixpk= 1192, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.58, r4=10.08,
igr1=1004,1005, 352, 353,
igr2=1145, 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 20-2:1193 0 AMB 20-1:1193 2.80 (# 1193:20 Double Ambig)
&rst
ixpk= 1193, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1142,1143, 780, 781,1450,1451,1504,
igr2=1145, 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1205 0 AMB 20-1:1205 2.80 (# 1205:20 Double Ambig)
&rst
ixpk= 1205, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 320, 321, 818, 819, 320, 321,
igr2= 568, 569, 570, 572, 573, 574, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:1206 0 AMB 20-1:1206 2.80 (# 1206:20 Double Ambig)
&rst
ixpk= 1206, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1126, 566,1450,1451,
igr2= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
573, 574,
&end
#
# 0 AMB 20-2:1237 0 AMB 20-1:1237 3.50 (# 1237:20 Double Ambig)
&rst
ixpk= 1237, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 465, 466, 818, 819,
igr2= 468, 469, 73, 74,
&end
#
# 0 AMB 20-2:1238 0 AMB 20-1:1238 4.50 (# 1238:20 Double Ambig)
&rst
ixpk= 1238, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 56, 57, 58, 60, 61, 62, 56, 57, 58, 60,
61, 62,
igr2= 73, 74, 73, 74,
&end
#
# 0 AMB 20-2:1242 0 AMB 20-1:1242 3.50 (# 1242:20 Double Ambig)
&rst
ixpk= 1242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 257,1194,
igr2=1199,1200,1199,1200,
&end
#
# 0 AMB 20-2:1244 0 AMB 20-1:1244 3.50 (# 1244:20 Double Ambig)
&rst
ixpk= 1244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1=1205,1206, 79, 80,
igr2=1199,1200, 73, 74,
&end
#
# 0 AMB 20-2:1251 0 AMB 20-1:1251 4.50 (# 1251:20 Double Ambig)
&rst
ixpk= 1251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 474, 475, 79, 80,
igr2= 468, 469, 73, 74,
&end
#
# 0 AMB 20-2:1261 0 AMB 20-1:1261 2.80 (# 1261:20 Double Ambig)
&rst
ixpk= 1261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1594,1595,1596,1598,1599,1600, 56, 57, 58, 60,
61, 62,
igr2= 714, 715, 755, 756,
&end
#
# 0 AMB 20-2:1265 0 AMB 20-1:1265 2.80 (# 1265:20 Double Ambig)
&rst
ixpk= 1265, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 610, 980,
igr2= 617, 618, 619, 621, 622, 623, 985, 986,
&end
#
# 0 AMB 20-2:1280 0 AMB 20-1:1280 2.80 (# 1280:20 Double Ambig)
&rst
ixpk= 1280, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1594,1595,1596,1598,1599,1600, 864, 865, 866, 868,
869, 870,
igr2= 714, 715,1082,1083,
&end
#
# 0 AMB 20-2:1282 0 AMB 20-1:1282 2.80 (# 1282:20 Double Ambig)
&rst
ixpk= 1282, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 73, 74, 809, 810,
igr2= 812, 813, 812, 813,
&end
#
# 0 AMB 20-2:1286 0 AMB 20-1:1286 2.80 (# 1286:20 Double Ambig)
&rst
ixpk= 1286, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 991, 992,1376,1377,
igr2= 985, 986,1370,1371,
&end
#
# 0 AMB 20-2:1287 0 AMB 20-1:1287 2.80 (# 1287:20 Double Ambig)
&rst
ixpk= 1287, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr1=1367,1368,1440,1441,1442,1453, 988, 989,
igr2=1370,1371,1370,1371,1370,1371, 985, 986,
&end
#
# 0 AMB 20-2:1293 0 AMB 20-1:1293 2.80 (# 1293:20 Double Ambig)
&rst
ixpk= 1293, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 988, 989,1453,
igr2= 985, 986, 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1295 0 AMB 20-1:1295 3.50 (# 1295:20 Double Ambig)
&rst
ixpk= 1295, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 991, 992,1412,1413,1412,1413,
igr2= 985, 986, 617, 618, 619, 621, 622, 623, 617, 618,
619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1296 0 AMB 20-1:1296 4.50 (# 1296:20 Double Ambig)
&rst
ixpk= 1296, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,
igr2=1095,1096,1095,1096,
&end
#
# 0 AMB 20-2:1300 0 AMB 20-1:1300 3.50 (# 1300:20 Double Ambig)
&rst
ixpk= 1300, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 37, 38, 39, 568, 569, 570, 572, 573, 574,
igr2= 812, 813, 812, 813,
&end
#
# 0 AMB 20-2:1302 0 AMB 20-1:1302 2.80 (# 1302:20 Double Ambig)
&rst
ixpk= 1302, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1386,1387,1401,
igr2=1370,1371,1406,1407,
&end
#
# 0 AMB 20-2:1303 0 AMB 20-1:1303 2.80 (# 1303:20 Double Ambig)
&rst
ixpk= 1303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1373,1374,1556,1557, 809, 810,
igr2=1370,1371,1553,1554, 812, 813,
&end
#
# 0 AMB 20-2:1327 0 AMB 20-1:1327 3.50 (# 1327:20 Double Ambig)
&rst
ixpk= 1327, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 776, 777, 778, 41, 42,
igr2= 812, 813, 812, 813,
&end
#
# 0 AMB 20-2:1328 0 AMB 20-1:1328 3.50 (# 1328:20 Double Ambig)
&rst
ixpk= 1328, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 807, 330,1101,
igr2= 812, 813, 864, 865, 866, 868, 869, 870,1082,1083,
&end
#
# 0 AMB 20-2:1330 0 AMB 20-1:1330 3.50 (# 1330:20 Double Ambig)
&rst
ixpk= 1330, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1085,1086,1087, 376, 377, 378,
igr2= 864, 865, 866, 868, 869, 870,1082,1083,
&end
#
# 0 AMB 20-2:1333 0 AMB 20-1:1333 4.50 (# 1333:20 Double Ambig)
&rst
ixpk= 1333, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1313,1314,1313,1314,
igr2=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:1335 0 AMB 20-1:1335 3.50 (# 1335:20 Double Ambig)
&rst
ixpk= 1335, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1284,1285,1520,
igr2=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:1337 0 AMB 20-1:1337 2.80 (# 1337:20 Double Ambig)
&rst
ixpk= 1337, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1123,1124,1556,1557, 780, 781,
igr2= 296, 297, 298, 300, 301, 302,1506,1507,1508,1510,
1511,1512,
&end
#
# 0 AMB 20-2:1342 0 AMB 20-1:1342 2.80 (# 1342:20 Double Ambig)
&rst
ixpk= 1342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1499, 860,1548,
igr2=1553,1554, 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1343 0 AMB 20-1:1343 3.50 (# 1343:20 Double Ambig)
&rst
ixpk= 1343, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 332, 333,1572,1573, 878, 879,
igr2= 864, 865, 866, 868, 869, 870,1553,1554,
&end
#
# 0 AMB 20-2:139 0 AMB 20-1:139 3.50 (# 139:20 Double Ambig)
&rst
ixpk= 139, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 275, 70, 71,
igr2= 210, 52,
&end
#
# 0 AMB 20-2:1425 0 AMB 20-1:1425 2.80 (# 1425:20 Double Ambig)
&rst
ixpk= 1425, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1516,1280,
igr2=1522,1523,1524,1526,1527,1528,1254,1255,1256,1258,
1259,1260,
&end
#
# 53 VAL HB 0 AMB 20-1:1487 2.80 (# 1487:20 Single Ambig)
&rst
ixpk= 1487, nxpk= 20, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 20-2:1510 0 AMB 20-1:1510 2.80 (# 1510:20 Double Ambig)
&rst
ixpk= 1510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
igr1=1163,1164,1165,1167,1168,1169, 617, 618, 619, 621,
622, 623, 617, 618, 619, 621, 622, 623,
igr2=1270,1271,1272,1274,1275,1276, 549, 550, 551, 553,
554, 555,
&end
#
# 0 AMB 20-2:1511 0 AMB 20-1:1511 2.80 (# 1511:20 Double Ambig)
&rst
ixpk= 1511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
igr1=1455,1456,1457,1459,1460,1461,1163,1164,1165,1167,
1168,1169,
igr2= 549, 550, 551, 553, 554, 555,1270,1271,1272,1274,
1275,1276,
&end
#
# 20 VAL HN 0 AMB 20-1:1523 4.50 (# 1523:20 Single Ambig)
&rst
ixpk= 1523, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:1524 0 AMB 20-1:1524 2.80 (# 1524:20 Double Ambig)
&rst
ixpk= 1524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 287, 770,1192,
igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:1530 0 AMB 20-1:1530 2.80 (# 1530:20 Double Ambig)
&rst
ixpk= 1530, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 793,1550,1551,
igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:1531 0 AMB 20-1:1531 2.80 (# 1531:20 Double Ambig)
&rst
ixpk= 1531, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1= 755, 756, 291, 292, 310, 311, 312,1553,1554,1553,
1554,
igr2= 277, 278, 279, 281, 282, 283,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:1578 0 AMB 20-1:1578 4.50 (# 1578:20 Double Ambig)
&rst
ixpk= 1578, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 33,1338,1339,
igr2= 56, 57, 58, 60, 61, 62,1326,1327,1328,1330,
1331,1332,
&end
#
# 0 AMB 20-2:1582 0 AMB 20-1:1582 2.80 (# 1582:20 Double Ambig)
&rst
ixpk= 1582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1324, 597, 598,
igr2=1326,1327,1328,1330,1331,1332, 549, 550, 551, 553,
554, 555,
&end
#
# 0 AMB 20-2:1603 0 AMB 20-1:1603 2.80 (# 1603:20 Double Ambig)
&rst
ixpk= 1603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1032,1161,1501,1502,
igr2=1034,1035,1036,1038,1039,1040,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:1608 0 AMB 20-1:1608 3.50 (# 1608:20 Double Ambig)
&rst
ixpk= 1608, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 963,1518,
igr2=1034,1035,1036,1038,1039,1040,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:161 0 AMB 20-1:161 2.80 (# 161:20 Double Ambig)
&rst
ixpk= 161, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1472,1473,1428,1429, 939, 940,
igr2=1423, 934,
&end
#
# 0 AMB 20-2:162 0 AMB 20-1:162 2.80 (# 162:20 Double Ambig)
&rst
ixpk= 162, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 936, 937,1425,1426,1469,1470,
igr2= 934,1423,
&end
#
# 0 AMB 20-2:1728 0 AMB 20-1:1728 3.50 (# 1728:20 Double Ambig)
&rst
ixpk= 1728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 860, 226, 227,
igr2= 965, 966, 967, 187, 188, 189,
&end
#
# 0 AMB 20-2:2009 0 AMB 20-1:2009 3.50 (# 2009:20 Double Ambig)
&rst
ixpk= 2009, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 291, 292,1254,1255,1256,1258,1259,1260,
igr2= 289,1140,
&end
#
# 0 AMB 20-2:2010 0 AMB 20-1:2010 2.80 (# 2010:20 Double Ambig)
&rst
ixpk= 2010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
1168,1169,1182,1183,1184,1186,1187,1188,
igr2= 289,1140,
&end
#
# 76 LEU HN 0 AMB 20-1:2015 4.50 (# 2015:20 Single Ambig)
&rst
ixpk= 2015, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1140, 289,
&end
#
# 0 AMB 20-2:2019 0 AMB 20-1:2019 4.50 (# 2019:20 Double Ambig)
&rst
ixpk= 2019, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1301,1302,1303, 261, 262, 263, 265, 266, 267,1111,
1112,1113,
igr2=1140, 289,
&end
#
# 0 AMB 20-2:2021 0 AMB 20-1:2021 4.50 (# 2021:20 Double Ambig)
&rst
ixpk= 2021, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 294,1123,1124,
igr2= 289,1140,
&end
#
# 0 AMB 20-2:2080 0 AMB 20-1:2080 5.50 (# 2080:20 Double Ambig)
&rst
ixpk= 2080, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.85, r4=10.35,
igr1= 92, 93, 94, 563, 564, 549, 550, 551, 553, 554,
555,
igr2= 145, 146, 539,
&end
#
# 0 AMB 20-2:2086 0 AMB 20-1:2086 5.50 (# 2086:20 Double Ambig)
&rst
ixpk= 2086, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1048,1049,1324,
igr2=1065,1066,1065,1066,
&end
#
# 0 AMB 20-2:2092 0 AMB 20-1:2092 5.50 (# 2092:20 Double Ambig)
&rst
ixpk= 2092, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1123,1124,1373,1374,
igr2=1313,1314,1313,1314,
&end
#
# 0 AMB 20-2:2094 0 AMB 20-1:2094 5.50 (# 2094:20 Double Ambig)
&rst
ixpk= 2094, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1111,1112,1113,1301,1302,1303,
igr2=1313,1314,1313,1314,
&end
#
# 0 AMB 20-2:2096 0 AMB 20-1:2096 5.50 (# 2096:20 Double Ambig)
&rst
ixpk= 2096, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1313,1314,1313,1314,
&end
#
# 0 AMB 20-2:2100 0 AMB 20-1:2100 5.50 (# 2100:20 Double Ambig)
&rst
ixpk= 2100, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 874, 248,
igr2= 860, 226, 227,
&end
#
# 0 AMB 20-2:2128 0 AMB 20-1:2128 4.50 (# 2128:20 Double Ambig)
&rst
ixpk= 2128, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 210, 52,
&end
#
# 0 AMB 20-2:2138 0 AMB 20-1:2138 5.50 (# 2138:20 Double Ambig)
&rst
ixpk= 2138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 791, 273, 772,
igr2= 52, 210,
&end
#
# 0 AMB 20-2:2159 0 AMB 20-1:2159 4.50 (# 2159:20 Double Ambig)
&rst
ixpk= 2159, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 961, 639,
igr2= 917, 658,
&end
#
# 0 AMB 20-2:2165 0 AMB 20-1:2165 4.50 (# 2165:20 Double Ambig)
&rst
ixpk= 2165, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 559, 639, 593,
igr2= 521, 610,
&end
#
# 0 AMB 20-2:218 0 AMB 20-1:218 2.80 (# 218:20 Double Ambig)
&rst
ixpk= 218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 663, 664, 922, 923,
igr2= 658, 917,
&end
#
# 0 AMB 20-2:2195 0 AMB 20-1:2195 5.50 (# 2195:20 Double Ambig)
&rst
ixpk= 2195, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 805, 858,
igr2= 818, 819, 850, 851,
&end
#
# 0 AMB 20-2:220 0 AMB 20-1:220 2.80 (# 220:20 Double Ambig)
&rst
ixpk= 220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 919, 920, 660, 661,
igr2= 917, 658,
&end
#
# 0 AMB 20-2:2202 0 AMB 20-1:2202 5.50 (# 2202:20 Double Ambig)
&rst
ixpk= 2202, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1264,1214,
igr2=1177,1178,1177,1178,
&end
#
# 0 AMB 20-2:2213 0 AMB 20-1:2213 5.50 (# 2213:20 Double Ambig)
&rst
ixpk= 2213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1214,1264,
igr2=1196,1197,1196,1197,
&end
#
# 0 AMB 20-2:2214 0 AMB 20-1:2214 3.50 (# 2214:20 Double Ambig)
&rst
ixpk= 2214, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 770, 287, 789,
igr2= 752, 753, 752, 753, 752, 753,
&end
#
# 0 AMB 20-2:2216 0 AMB 20-1:2216 5.50 (# 2216:20 Double Ambig)
&rst
ixpk= 2216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 770, 50, 789,
igr2= 758, 759, 758, 759, 758, 759,
&end
#
# 0 AMB 20-2:222 0 AMB 20-1:222 2.80 (# 222:20 Double Ambig)
&rst
ixpk= 222, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1497,1546,
igr2=1499,1548,
&end
#
# 0 AMB 20-2:2223 0 AMB 20-1:2223 4.50 (# 2223:20 Double Ambig)
&rst
ixpk= 2223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 770, 287, 789,
igr2= 780, 781, 780, 781, 780, 781,
&end
#
# 0 AMB 20-2:223 0 AMB 20-1:223 2.80 (# 223:20 Double Ambig)
&rst
ixpk= 223, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1550,1551,1501,1502,1556,1557,1556,1557,
igr2=1548,1499,
&end
#
# 0 AMB 20-2:2230 0 AMB 20-1:2230 5.50 (# 2230:20 Double Ambig)
&rst
ixpk= 2230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1214,1264,
igr2=1199,1200,1199,1200,
&end
#
# 0 AMB 20-2:2232 0 AMB 20-1:2232 5.50 (# 2232:20 Double Ambig)
&rst
ixpk= 2232, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 287, 770, 805,
igr2= 296, 297, 298, 300, 301, 302, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 20-2:224 0 AMB 20-1:224 2.80 (# 224:20 Double Ambig)
&rst
ixpk= 224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1550,1551,1550,1551,
igr2=1548,1499,
&end
#
# 0 AMB 20-2:225 0 AMB 20-1:225 3.50 (# 225:20 Double Ambig)
&rst
ixpk= 225, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1553,1554,1553,1554,
igr2=1499,1548,
&end
#
# 0 AMB 20-2:2288 0 AMB 20-1:2288 5.50 (# 2288:20 Double Ambig)
&rst
ixpk= 2288, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 66, 348,
igr2= 76, 77, 76, 77,
&end
#
# 0 AMB 20-2:2289 0 AMB 20-1:2289 5.50 (# 2289:20 Double Ambig)
&rst
ixpk= 2289, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 500,1516,
igr2= 510, 511,1556,1557,
&end
#
# 103 HIS HD2 0 AMB 20-1:2291 5.50 (# 2291:20 Single Ambig)
&rst
ixpk= 2291, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1550,1551,1161,
&end
#
# 0 AMB 20-2:2316 0 AMB 20-1:2316 5.50 (# 2316:20 Double Ambig)
&rst
ixpk= 2316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1233, 729,
igr2=1218,1219, 699, 700,
&end
#
# 0 AMB 20-2:2329 0 AMB 20-1:2329 5.50 (# 2329:20 Double Ambig)
&rst
ixpk= 2329, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 141, 656,
igr2= 131, 132, 646, 647,
&end
#
# 0 AMB 20-2:2331 0 AMB 20-1:2331 5.50 (# 2331:20 Double Ambig)
&rst
ixpk= 2331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1061, 656,
igr2=1048,1049, 675, 676,
&end
#
# 0 AMB 20-2:2347 0 AMB 20-1:2347 5.50 (# 2347:20 Double Ambig)
&rst
ixpk= 2347, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 451,1336,
igr2=1092,1093,1092,1093,
&end
#
# 0 AMB 20-2:236 0 AMB 20-1:236 4.50 (# 236:20 Double Ambig)
&rst
ixpk= 236, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 559, 639,
igr2= 521, 610,
&end
#
# 0 AMB 20-2:2360 0 AMB 20-1:2360 4.50 (# 2360:20 Double Ambig)
&rst
ixpk= 2360, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 500, 729,
igr2= 485, 629,
&end
#
# 103 HIS HN 0 AMB 20-1:2362 4.50 (# 2362:20 Single Ambig)
&rst
ixpk= 2362, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1548,1499,
&end
#
# 28 TRP HN 28 TRP HA 2.90 (# 2368:20 Unique)
&rst
ixpk= 2368, nxpk= 20, iat= 396, 398, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 29 CYS HN 29 CYS HA 3.00 (# 2369:20 Unique)
&rst
ixpk= 2369, nxpk= 20, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 0 AMB 20-2:2376 0 AMB 20-1:2376 5.50 (# 2376:20 Double Ambig)
&rst
ixpk= 2376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1000,1008,1017,
igr2=1023,1024,1023,1024,
&end
#
# 0 AMB 20-2:2377 0 AMB 20-1:2377 5.50 (# 2377:20 Double Ambig)
&rst
ixpk= 2377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1000,1008,1017,
igr2= 973, 974, 973, 974,
&end
#
# 0 AMB 20-2:2384 0 AMB 20-1:2384 5.50 (# 2384:20 Double Ambig)
&rst
ixpk= 2384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 519, 363, 367,
igr2= 533, 534, 386, 387, 386, 387,
&end
#
# 0 AMB 20-2:2388 0 AMB 20-1:2388 5.50 (# 2388:20 Double Ambig)
&rst
ixpk= 2388, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 927, 928, 543,
igr2= 862, 536, 537,
&end
#
# 0 AMB 20-2:2391 0 AMB 20-1:2391 4.50 (# 2391:20 Double Ambig)
&rst
ixpk= 2391, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1477,1478, 927, 928,
igr2= 678, 679,1051,1052,
&end
#
# 0 AMB 20-2:24 0 AMB 20-1:24 2.80 (# 24:20 Double Ambig)
&rst
ixpk= 24, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 389, 390, 200, 201,
igr2= 392, 145, 146,
&end
#
# 0 AMB 20-2:2405 0 AMB 20-1:2405 5.50 (# 2405:20 Double Ambig)
&rst
ixpk= 2405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 927, 928, 651, 652,
igr2= 922, 923, 646, 647,
&end
#
# 0 AMB 20-2:2406 0 AMB 20-1:2406 5.50 (# 2406:20 Double Ambig)
&rst
ixpk= 2406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 927, 928, 651, 652,
igr2= 922, 923, 646, 647,
&end
#
# 0 AMB 20-2:242 0 AMB 20-1:242 3.50 (# 242:20 Double Ambig)
&rst
ixpk= 242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 530, 531, 641,
igr2= 485, 629,
&end
#
# 0 AMB 20-2:2437 0 AMB 20-1:2437 4.50 (# 2437:20 Double Ambig)
&rst
ixpk= 2437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1353,1357,1008,1017,
igr2= 510, 511, 988, 989,
&end
#
# 0 AMB 20-2:248 0 AMB 20-1:248 2.80 (# 248:20 Double Ambig)
&rst
ixpk= 248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1450,1451, 566,
igr2=1448, 521,
&end
#
# 0 AMB 20-2:250 0 AMB 20-1:250 3.50 (# 250:20 Double Ambig)
&rst
ixpk= 250, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 506, 507, 508,1522,1523,1524,1526,1527,1528,
igr2= 521,1448,
&end
#
# 0 AMB 20-2:2512 0 AMB 20-1:2512 4.50 (# 2512:20 Double Ambig)
&rst
ixpk= 2512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 453,1338,1339,
igr2=1095,1096,1095,1096,
&end
#
# 0 AMB 20-2:2514 0 AMB 20-1:2514 5.50 (# 2514:20 Double Ambig)
&rst
ixpk= 2514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1=1297,1311,
igr2=1145, 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2515 0 AMB 20-1:2515 5.50 (# 2515:20 Double Ambig)
&rst
ixpk= 2515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 318, 772, 807, 791,
igr2= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
573, 574,
&end
#
# 0 AMB 20-2:2525 0 AMB 20-1:2525 4.50 (# 2525:20 Double Ambig)
&rst
ixpk= 2525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 257,1194,
igr2=1202,1203,1202,1203,
&end
#
# 0 AMB 20-2:2540 0 AMB 20-1:2540 5.50 (# 2540:20 Double Ambig)
&rst
ixpk= 2540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1194,1159, 257,
igr2=1177,1178,1177,1178,1177,1178,
&end
#
# 0 AMB 20-2:2548 0 AMB 20-1:2548 5.50 (# 2548:20 Double Ambig)
&rst
ixpk= 2548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 447, 453,
igr2= 441, 442, 441, 442,
&end
#
# 0 AMB 20-2:255 0 AMB 20-1:255 5.50 (# 255:20 Double Ambig)
&rst
ixpk= 255, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
igr1= 714, 715, 187, 188, 189, 755, 756,
igr2=1587, 195,
&end
#
# 0 AMB 20-2:2553 0 AMB 20-1:2553 4.50 (# 2553:20 Double Ambig)
&rst
ixpk= 2553, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 102, 143,
igr2= 131, 132, 200, 201,
&end
#
# 0 AMB 20-2:2560 0 AMB 20-1:2560 4.50 (# 2560:20 Double Ambig)
&rst
ixpk= 2560, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1338,1339, 453,
igr2=1092,1093,1092,1093,
&end
#
# 0 AMB 20-2:2565 0 AMB 20-1:2565 5.50 (# 2565:20 Double Ambig)
&rst
ixpk= 2565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 447, 453,
igr2= 438, 439, 438, 439,
&end
#
# 0 AMB 20-2:257 0 AMB 20-1:257 3.50 (# 257:20 Double Ambig)
&rst
ixpk= 257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1450,1451, 815, 816,
igr2=1448, 521,
&end
#
# 0 AMB 20-2:2580 0 AMB 20-1:2580 4.50 (# 2580:20 Double Ambig)
&rst
ixpk= 2580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 539, 502,
igr2= 530, 531, 530, 531,
&end
#
# 29 CYS HA 30 GLY HA- 4.50 (# 2585:20 Unique )
&rst
ixpk= 2585, nxpk= 20, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 432, 433,
&end
#
# 0 AMB 20-2:2587 0 AMB 20-1:2587 4.50 (# 2587:20 Double Ambig)
&rst
ixpk= 2587, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 530, 531, 154,
igr2= 539, 145, 146,
&end
#
# 0 AMB 20-2:2589 0 AMB 20-1:2589 5.50 (# 2589:20 Double Ambig)
&rst
ixpk= 2589, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 250, 251, 438, 439,
igr2= 720, 721, 474, 475,
&end
#
# 0 AMB 20-2:2591 0 AMB 20-1:2591 5.50 (# 2591:20 Double Ambig)
&rst
ixpk= 2591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 455,1587,
igr2= 474, 475, 720, 721,
&end
#
# 0 AMB 20-2:2593 0 AMB 20-1:2593 5.50 (# 2593:20 Double Ambig)
&rst
ixpk= 2593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 697, 453, 447,
igr2= 720, 721, 474, 475,
&end
#
# 0 AMB 20-2:261 0 AMB 20-1:261 2.80 (# 261:20 Double Ambig)
&rst
ixpk= 261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1589,1590, 197, 198,
igr2=1587, 195,
&end
#
# 0 AMB 20-2:2642 0 AMB 20-1:2642 4.50 (# 2642:20 Double Ambig)
&rst
ixpk= 2642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1438,1365,
igr2=1389,1390,1389,1390,
&end
#
# 0 AMB 20-2:2644 0 AMB 20-1:2644 3.50 (# 2644:20 Double Ambig)
&rst
ixpk= 2644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 539, 502,
igr2= 533, 534, 533, 534,
&end
#
# 0 AMB 20-2:2645 0 AMB 20-1:2645 5.50 (# 2645:20 Double Ambig)
&rst
ixpk= 2645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1386,1387,1313,1314,
igr2=1373,1374,1373,1374,
&end
#
# 0 AMB 20-2:2647 0 AMB 20-1:2647 4.50 (# 2647:20 Double Ambig)
&rst
ixpk= 2647, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1548,1499,
igr2=1556,1557,1556,1557,
&end
#
# 0 AMB 20-2:2654 0 AMB 20-1:2654 5.50 (# 2654:20 Double Ambig)
&rst
ixpk= 2654, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1092,1093, 456,
igr2=1098,1099,1098,1099,
&end
#
# 0 AMB 20-2:2655 0 AMB 20-1:2655 5.50 (# 2655:20 Double Ambig)
&rst
ixpk= 2655, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1092,1093,1065,1066,
igr2=1098,1099,1048,1049,
&end
#
# 0 AMB 20-2:2668 0 AMB 20-1:2668 5.50 (# 2668:20 Double Ambig)
&rst
ixpk= 2668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1250, 224,
igr2=1177,1178,1177,1178,
&end
#
# 87 SER HB- 0 AMB 20-1:2670 5.50 (# 2670:20 Single Ambig)
&rst
ixpk= 2670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1313,1314,
igr2=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:2707 0 AMB 20-1:2707 5.50 (# 2707:20 Double Ambig)
&rst
ixpk= 2707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 474, 475, 474, 475,
igr2= 465, 466, 465, 466,
&end
#
# 0 AMB 20-2:2733 0 AMB 20-1:2733 5.50 (# 2733:20 Double Ambig)
&rst
ixpk= 2733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 389, 390, 850, 851,
igr2= 383, 384, 383, 384,
&end
#
# 102 LYS HE- 0 AMB 20-1:2740 5.50 (# 2740:20 Single Ambig)
&rst
ixpk= 2740, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560,
igr2=1548,1499,
&end
#
# 0 AMB 20-2:2755 0 AMB 20-1:2755 5.50 (# 2755:20 Double Ambig)
&rst
ixpk= 2755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 92, 93, 94, 831,
igr2= 156, 157, 156, 157,
&end
#
# 0 AMB 20-2:2758 0 AMB 20-1:2758 4.50 (# 2758:20 Double Ambig)
&rst
ixpk= 2758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1095,1096, 444, 445,
igr2=1338,1339,1338,1339,
&end
#
# 0 AMB 20-2:2761 0 AMB 20-1:2761 5.50 (# 2761:20 Double Ambig)
&rst
ixpk= 2761, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 711, 712, 237, 238, 752, 753,
igr2= 250, 251, 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:2764 0 AMB 20-1:2764 5.50 (# 2764:20 Double Ambig)
&rst
ixpk= 2764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1177,1178,1180,
igr2=1228,1229,1228,1229,
&end
#
# 0 AMB 20-2:2765 0 AMB 20-1:2765 5.50 (# 2765:20 Double Ambig)
&rst
ixpk= 2765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1= 965, 966, 967, 988, 989,
igr2= 973, 974, 973, 974,
&end
#
# 0 AMB 20-2:2776 0 AMB 20-1:2776 4.50 (# 2776:20 Double Ambig)
&rst
ixpk= 2776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 444, 445,1095,1096,
igr2= 438, 439, 438, 439,
&end
#
# 0 AMB 20-2:2792 0 AMB 20-1:2792 3.50 (# 2792:20 Double Ambig)
&rst
ixpk= 2792, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 468, 469, 73, 74, 809, 810,
igr2= 474, 475, 474, 475, 79, 80, 79, 80,
&end
#
# 0 AMB 20-2:2794 0 AMB 20-1:2794 5.50 (# 2794:20 Double Ambig)
&rst
ixpk= 2794, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 711, 712,1202,1203,
igr2= 699, 700,1218,1219,
&end
#
# 0 AMB 20-2:2797 0 AMB 20-1:2797 5.50 (# 2797:20 Double Ambig)
&rst
ixpk= 2797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 187, 188, 189, 793,
igr2= 200, 201, 200, 201,
&end
#
# 0 AMB 20-2:2801 0 AMB 20-1:2801 5.50 (# 2801:20 Double Ambig)
&rst
ixpk= 2801, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr1=1440,1441,1442,1367,1368,
igr2=1392,1393,1392,1393,
&end
#
# 0 AMB 20-2:2804 0 AMB 20-1:2804 5.50 (# 2804:20 Double Ambig)
&rst
ixpk= 2804, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1370,1371,1406,1407,
igr2=1392,1393,1392,1393,
&end
#
# 0 AMB 20-2:2805 0 AMB 20-1:2805 5.50 (# 2805:20 Double Ambig)
&rst
ixpk= 2805, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 468, 469, 615,
igr2= 389, 390, 678, 679,
&end
#
# 0 AMB 20-2:2807 0 AMB 20-1:2807 5.50 (# 2807:20 Double Ambig)
&rst
ixpk= 2807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 615, 612, 613,1032,
igr2= 678, 679, 678, 679,1051,1052,
&end
#
# 0 AMB 20-2:2811 0 AMB 20-1:2811 4.50 (# 2811:20 Double Ambig)
&rst
ixpk= 2811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
igr1= 549, 550, 551, 553, 554, 555, 563, 564,
igr2= 536, 537, 536, 537,
&end
#
# 0 AMB 20-2:2815 0 AMB 20-1:2815 5.50 (# 2815:20 Double Ambig)
&rst
ixpk= 2815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 965, 966, 967,1440,1441,1442,1550,1551,
igr2= 919, 920,1486,1487,1486,1487,
&end
#
# 0 AMB 20-2:2817 0 AMB 20-1:2817 4.50 (# 2817:20 Double Ambig)
&rst
ixpk= 2817, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1=1440,1441,1442,1453,1367,1368,
igr2=1425,1426,1469,1470,1469,1470,1425,1426,1425,1426,
&end
#
# 0 AMB 20-2:2831 0 AMB 20-1:2831 5.50 (# 2831:20 Double Ambig)
&rst
ixpk= 2831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 582, 583, 675, 676,
igr2= 41, 42, 41, 42,
&end
#
# 0 AMB 20-2:2832 0 AMB 20-1:2832 2.80 (# 2832:20 Double Ambig)
&rst
ixpk= 2832, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1=1142,1143,1453,
igr2=1145, 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:2844 0 AMB 20-1:2844 4.50 (# 2844:20 Double Ambig)
&rst
ixpk= 2844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1367,1368,1367,1368,
&end
#
# 0 AMB 20-2:2846 0 AMB 20-1:2846 5.50 (# 2846:20 Double Ambig)
&rst
ixpk= 2846, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,
igr2=1367,1368,1367,1368,
&end
#
# 0 AMB 20-2:2852 0 AMB 20-1:2852 5.50 (# 2852:20 Double Ambig)
&rst
ixpk= 2852, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 752, 753, 752, 753,
&end
#
# 0 AMB 20-2:2861 0 AMB 20-1:2861 5.50 (# 2861:20 Double Ambig)
&rst
ixpk= 2861, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 200, 201, 200, 201,
&end
#
# 0 AMB 20-2:2882 0 AMB 20-1:2882 5.50 (# 2882:20 Double Ambig)
&rst
ixpk= 2882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 761, 762, 761, 762, 79, 80,
&end
#
# 0 AMB 20-2:2887 0 AMB 20-1:2887 5.50 (# 2887:20 Double Ambig)
&rst
ixpk= 2887, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
igr1= 549, 550, 551, 553, 554, 555, 563, 564,
igr2= 530, 531, 530, 531,
&end
#
# 0 AMB 20-2:2888 0 AMB 20-1:2888 4.50 (# 2888:20 Double Ambig)
&rst
ixpk= 2888, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1370,1371,1367,1368,
igr2=1386,1387,1386,1387,
&end
#
# 0 AMB 20-2:2892 0 AMB 20-1:2892 5.50 (# 2892:20 Double Ambig)
&rst
ixpk= 2892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
igr1= 277, 278, 279, 281, 282, 283, 261, 262, 263, 265,
266, 267,
igr2= 250, 251, 250, 251,
&end
#
# 0 AMB 20-2:2894 0 AMB 20-1:2894 5.50 (# 2894:20 Double Ambig)
&rst
ixpk= 2894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3=11.64, r4=12.14,
igr1=1326,1327,1328,1330,1331,1332,1128,1129,1130,1132,
1133,1134, 513, 514, 515,
igr2=1338,1339,1338,1339,1338,1339,
&end
#
# 0 AMB 20-2:2906 0 AMB 20-1:2906 3.50 (# 2906:20 Double Ambig)
&rst
ixpk= 2906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 812, 813, 291, 292, 831, 310, 311, 312,
igr2= 791, 273,
&end
#
# 29 CYS HB3 29 CYS HA 3.00 (# 2932:20 Unique)
&rst
ixpk= 2932, nxpk= 20, iat= 425, 422, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 TRP HA 27 PRO HA 4.70 (# 2933:20 Unique)
&rst
ixpk= 2933, nxpk= 20, iat= 398, 392, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 0 AMB 20-2:2936 0 AMB 20-1:2936 4.50 (# 2936:20 Double Ambig)
&rst
ixpk= 2936, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2=1469,1470,1469,1470,
&end
#
# 28 TRP HD1 28 TRP HA 4.50 (# 312:20 Unique)
&rst
ixpk= 312, nxpk= 20, iat= 404, 398, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 20-2:345 0 AMB 20-1:345 3.50 (# 345:20 Double Ambig)
&rst
ixpk= 345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 386, 387, 389, 390,
igr2= 383, 384, 383, 384,
&end
#
# 0 AMB 20-2:35 0 AMB 20-1:35 2.80 (# 35:20 Double Ambig)
&rst
ixpk= 35, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 389, 390, 582, 583, 386, 387,
igr2= 392, 539,
&end
#
# 0 AMB 20-2:354 0 AMB 20-1:354 2.80 (# 354:20 Double Ambig)
&rst
ixpk= 354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 444, 445,1095,1096,
igr2=1092,1093,1092,1093,
&end
#
# 0 AMB 20-2:37 0 AMB 20-1:37 2.80 (# 37:20 Double Ambig)
&rst
ixpk= 37, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1516, 593,
igr2=1518, 545,
&end
#
# 0 AMB 20-2:373 0 AMB 20-1:373 2.80 (# 373:20 Double Ambig)
&rst
ixpk= 373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1440,1441,1442,1367,1368,
igr2=1386,1387,1386,1387,
&end
#
# 0 AMB 20-2:387 0 AMB 20-1:387 3.50 (# 387:20 Double Ambig)
&rst
ixpk= 387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 695, 671,
igr2= 690, 691, 690, 691,
&end
#
# 0 AMB 20-2:39 0 AMB 20-1:39 2.80 (# 39:20 Double Ambig)
&rst
ixpk= 39, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 597, 598,1520,
igr2= 545,1518,
&end
#
# 0 AMB 20-2:392 0 AMB 20-1:392 2.80 (# 392:20 Double Ambig)
&rst
ixpk= 392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 971,1028,
igr2= 973, 974, 973, 974,
&end
#
# 0 AMB 20-2:40 0 AMB 20-1:40 4.50 (# 40:20 Double Ambig)
&rst
ixpk= 40, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1409,1410,1501,1502,1550,1551,1589,1590, 615,1161,
igr2= 545,1518,
&end
#
# 0 AMB 20-2:401 0 AMB 20-1:401 4.50 (# 401:20 Double Ambig)
&rst
ixpk= 401, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 675, 676, 259,
igr2= 733, 734, 733, 734,
&end
#
# 0 AMB 20-2:404 0 AMB 20-1:404 2.80 (# 404:20 Double Ambig)
&rst
ixpk= 404, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
743, 744,
igr2= 733, 734, 733, 734,
&end
#
# 0 AMB 20-2:410 0 AMB 20-1:410 2.80 (# 410:20 Double Ambig)
&rst
ixpk= 410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 224, 226, 227,
igr2=1228,1229,1228,1229,
&end
#
# 0 AMB 20-2:42 0 AMB 20-1:42 3.50 (# 42:20 Double Ambig)
&rst
ixpk= 42, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1163,1164,1165,1167,1168,1169, 617, 618, 619, 621,
622, 623, 617, 618, 619, 621, 622, 623, 296, 297,
298, 300, 301, 302,
igr2=1518, 545,
&end
#
# 0 AMB 20-2:421 0 AMB 20-1:421 2.80 (# 421:20 Double Ambig)
&rst
ixpk= 421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
1168,1169,
igr2= 291, 292, 291, 292,
&end
#
# 0 AMB 20-2:43 0 AMB 20-1:43 3.50 (# 43:20 Double Ambig)
&rst
ixpk= 43, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1163,1164,1165,1167,1168,1169, 568, 569, 570, 572,
573, 574,
igr2=1518, 545,
&end
#
# 0 AMB 20-2:436 0 AMB 20-1:436 4.50 (# 436:20 Double Ambig)
&rst
ixpk= 436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 310, 311, 312,1254,1255,1256,1258,1259,1260,
igr2=1142,1143,1142,1143,
&end
#
# 0 AMB 20-2:437 0 AMB 20-1:437 3.50 (# 437:20 Double Ambig)
&rst
ixpk= 437, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
1259,1260,
igr2=1142,1143,1142,1143,
&end
#
# 0 AMB 20-2:438 0 AMB 20-1:438 2.80 (# 438:20 Double Ambig)
&rst
ixpk= 438, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1182,1183,1184,1186,1187,1188,1145,
igr2=1142,1143,1142,1143,
&end
#
# 0 AMB 20-2:478 0 AMB 20-1:478 2.80 (# 478:20 Double Ambig)
&rst
ixpk= 478, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 296, 297, 298, 300, 301, 302,1506,1507,1508,1510,
1511,1512,
igr2=1123,1124,1123,1124,
&end
#
# 0 AMB 20-2:490 0 AMB 20-1:490 2.80 (# 490:20 Double Ambig)
&rst
ixpk= 490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 783, 784, 785, 41, 42,
igr2= 631, 632, 631, 632,
&end
#
# 0 AMB 20-2:498 0 AMB 20-1:498 2.80 (# 498:20 Double Ambig)
&rst
ixpk= 498, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:500 0 AMB 20-1:500 2.80 (# 500:20 Double Ambig)
&rst
ixpk= 500, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 73, 74, 815, 816, 104, 105, 106,
igr2= 79, 80, 79, 80, 79, 80,
&end
#
# 0 AMB 20-2:501 0 AMB 20-1:501 2.80 (# 501:20 Double Ambig)
&rst
ixpk= 501, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 711, 712, 468, 469, 76, 77,
igr2= 720, 721, 474, 475, 79, 80,
&end
#
# 0 AMB 20-2:504 0 AMB 20-1:504 3.50 (# 504:20 Double Ambig)
&rst
ixpk= 504, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 389, 390, 259, 487, 488,
igr2= 474, 475, 720, 721,
&end
#
# 0 AMB 20-2:507 0 AMB 20-1:507 3.50 (# 507:20 Double Ambig)
&rst
ixpk= 507, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 56, 57, 58, 60, 61, 62,1270,1271,1272,1274,
1275,1276,
igr2= 761, 762,1559,1560, 79, 80,
&end
#
# 0 AMB 20-2:509 0 AMB 20-1:509 2.80 (# 509:20 Double Ambig)
&rst
ixpk= 509, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 985, 986,1370,1371,1254,1255,1256,1258,1259,1260,
igr2= 991, 992,1376,1377, 991, 992,
&end
#
# 0 AMB 20-2:510 0 AMB 20-1:510 3.50 (# 510:20 Double Ambig)
&rst
ixpk= 510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 982, 983, 752, 753,
igr2= 991, 992, 761, 762,
&end
#
# 0 AMB 20-2:511 0 AMB 20-1:511 2.80 (# 511:20 Double Ambig)
&rst
ixpk= 511, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 988, 989, 988, 989,
igr2= 991, 992, 991, 992,
&end
#
# 0 AMB 20-2:518 0 AMB 20-1:518 2.80 (# 518:20 Double Ambig)
&rst
ixpk= 518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2= 612, 613, 612, 613,
&end
#
# 0 AMB 20-2:523 0 AMB 20-1:523 2.80 (# 523:20 Double Ambig)
&rst
ixpk= 523, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1550,1551, 758, 759,1556,1557,
igr2=1559,1560, 761, 762,1559,1560,
&end
#
# 0 AMB 20-2:524 0 AMB 20-1:524 4.50 (# 524:20 Double Ambig)
&rst
ixpk= 524, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1=1550,1551, 755, 756,
igr2=1559,1560, 761, 762,
&end
#
# 0 AMB 20-2:525 0 AMB 20-1:525 3.50 (# 525:20 Double Ambig)
&rst
ixpk= 525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1553,1554, 755, 756, 812, 813,
igr2=1559,1560, 761, 762, 79, 80,
&end
#
# 0 AMB 20-2:527 0 AMB 20-1:527 3.50 (# 527:20 Double Ambig)
&rst
ixpk= 527, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
igr1= 985, 986,1182,1183,1184,1186,1187,1188,1182,1183,
1184,1186,1187,1188,
igr2= 991, 992, 991, 992, 991, 992,
&end
#
# 0 AMB 20-2:528 0 AMB 20-1:528 2.80 (# 528:20 Double Ambig)
&rst
ixpk= 528, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1550,1551,1556,1557,1409,1410,
igr2=1559,1560,1412,1413,
&end
#
# 0 AMB 20-2:540 0 AMB 20-1:540 3.50 (# 540:20 Double Ambig)
&rst
ixpk= 540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2=1450,1451,1450,1451,
&end
#
# 0 AMB 20-2:541 0 AMB 20-1:541 2.80 (# 541:20 Double Ambig)
&rst
ixpk= 541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1450,1451,1450,1451,
&end
#
# 0 AMB 20-2:556 0 AMB 20-1:556 3.50 (# 556:20 Double Ambig)
&rst
ixpk= 556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 809, 810, 73, 74,
igr2= 818, 819, 818, 819,
&end
#
# 0 AMB 20-2:559 0 AMB 20-1:559 2.80 (# 559:20 Double Ambig)
&rst
ixpk= 559, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 37, 38, 39, 568, 569, 570, 572, 573, 574, 568,
569, 570, 572, 573, 574,
igr2= 818, 819, 818, 819, 818, 819,
&end
#
# 0 AMB 20-2:577 0 AMB 20-1:577 2.80 (# 577:20 Double Ambig)
&rst
ixpk= 577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
igr2= 563, 564, 563, 564,
&end
#
# 0 AMB 20-2:580 0 AMB 20-1:580 4.50 (# 580:20 Double Ambig)
&rst
ixpk= 580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 566, 774,
igr2= 563, 564, 563, 564,
&end
#
# 0 AMB 20-2:581 0 AMB 20-1:581 2.80 (# 581:20 Double Ambig)
&rst
ixpk= 581, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 776, 777, 778, 783, 784, 785, 41, 42,
igr2= 563, 564, 563, 564, 563, 564,
&end
#
# 0 AMB 20-2:586 0 AMB 20-1:586 3.50 (# 586:20 Double Ambig)
&rst
ixpk= 586, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 807, 318,
igr2= 320, 321, 320, 321,
&end
#
# 0 AMB 20-2:61 0 AMB 20-1:61 3.50 (# 61:20 Double Ambig)
&rst
ixpk= 61, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1072,1044,
igr2=1065,1066,1065,1066,
&end
#
# 0 AMB 20-2:638 0 AMB 20-1:638 4.50 (# 638:20 Double Ambig)
&rst
ixpk= 638, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 330, 318,
igr2= 332, 333, 332, 333,
&end
#
# 0 AMB 20-2:648 0 AMB 20-1:648 2.80 (# 648:20 Double Ambig)
&rst
ixpk= 648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1008,1017,1000,
igr2=1004,1005,1004,1005,
&end
#
# 0 AMB 20-2:670 0 AMB 20-1:670 2.80 (# 670:20 Double Ambig)
&rst
ixpk= 670, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1425,1426, 660, 661, 597, 598,
igr2=1428,1429, 663, 664, 663, 664,
&end
#
# 0 AMB 20-2:671 0 AMB 20-1:671 2.80 (# 671:20 Double Ambig)
&rst
ixpk= 671, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1=1423, 934,
igr2=1428,1429, 939, 940,
&end
#
# 0 AMB 20-2:672 0 AMB 20-1:672 2.80 (# 672:20 Double Ambig)
&rst
ixpk= 672, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1425,1426, 563, 564,
igr2=1428,1429, 585, 586,
&end
#
# 0 AMB 20-2:673 0 AMB 20-1:673 3.50 (# 673:20 Double Ambig)
&rst
ixpk= 673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 888, 539,
igr2= 893, 894, 585, 586,
&end
#
# 0 AMB 20-2:674 0 AMB 20-1:674 3.50 (# 674:20 Double Ambig)
&rst
ixpk= 674, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 890, 891,1403,1404,
igr2= 893, 894,1428,1429,
&end
#
# 0 AMB 20-2:676 0 AMB 20-1:676 2.80 (# 676:20 Double Ambig)
&rst
ixpk= 676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 595, 934,
igr2= 600, 601, 939, 940,
&end
#
# 0 AMB 20-2:688 0 AMB 20-1:688 3.50 (# 688:20 Double Ambig)
&rst
ixpk= 688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 578,1477,1478,
igr2= 585, 586,1428,1429,
&end
#
# 0 AMB 20-2:697 0 AMB 20-1:697 2.80 (# 697:20 Double Ambig)
&rst
ixpk= 697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 936, 937, 237, 238,
igr2= 939, 940, 240, 241,
&end
#
# 0 AMB 20-2:712 0 AMB 20-1:712 3.50 (# 712:20 Double Ambig)
&rst
ixpk= 712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1194, 257,
igr2=1196,1197,1196,1197,
&end
#
# 0 AMB 20-2:736 0 AMB 20-1:736 5.50 (# 736:20 Double Ambig)
&rst
ixpk= 736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 818, 819, 320, 321,
igr2= 809, 810, 809, 810,
&end
#
# 0 AMB 20-2:755 0 AMB 20-1:755 4.50 (# 755:20 Double Ambig)
&rst
ixpk= 755, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2=1472,1473,1472,1473,
&end
#
# 0 AMB 20-2:772 0 AMB 20-1:772 2.80 (# 772:20 Double Ambig)
&rst
ixpk= 772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 919, 920, 128, 129,
igr2= 922, 923, 131, 132,
&end
#
# 0 AMB 20-2:776 0 AMB 20-1:776 2.80 (# 776:20 Double Ambig)
&rst
ixpk= 776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1=1556,1557,1161,1501,1502,1550,1551,
igr2=1287,1288,1287,1288,1287,1288,1287,1288,
&end
#
# 0 AMB 20-2:782 0 AMB 20-1:782 4.50 (# 782:20 Double Ambig)
&rst
ixpk= 782, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 318, 330,
igr2=1098,1099,1098,1099,
&end
#
# 0 AMB 20-2:788 0 AMB 20-1:788 3.50 (# 788:20 Double Ambig)
&rst
ixpk= 788, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 259, 682, 683, 684,
igr2= 711, 712, 711, 712,
&end
#
# 0 AMB 20-2:796 0 AMB 20-1:796 3.50 (# 796:20 Double Ambig)
&rst
ixpk= 796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 116, 117, 905, 906,
igr2= 131, 132, 922, 923,
&end
#
# 0 AMB 20-2:807 0 AMB 20-1:807 4.50 (# 807:20 Double Ambig)
&rst
ixpk= 807, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1044, 255,
igr2=1048,1049, 711, 712,
&end
#
# 0 AMB 20-2:81 0 AMB 20-1:81 4.50 (# 81:20 Double Ambig)
&rst
ixpk= 81, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 965, 966, 967, 187, 188, 189,
igr2= 860, 226, 227,
&end
#
# 0 AMB 20-2:814 0 AMB 20-1:814 2.80 (# 814:20 Double Ambig)
&rst
ixpk= 814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 678, 679,1051,1052,
igr2= 675, 676,1048,1049,
&end
#
# 0 AMB 20-2:815 0 AMB 20-1:815 2.80 (# 815:20 Double Ambig)
&rst
ixpk= 815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1270,1271,1272,1274,1275,1276,1326,1327,1328,1330,
1331,1332,
igr2=1268,1324,
&end
#
# 0 AMB 20-2:829 0 AMB 20-1:829 2.80 (# 829:20 Double Ambig)
&rst
ixpk= 829, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1287,1288, 490, 491,
igr2=1284,1285, 487, 488,
&end
#
# 0 AMB 20-2:835 0 AMB 20-1:835 2.80 (# 835:20 Double Ambig)
&rst
ixpk= 835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 73, 74, 809, 810,
igr2= 70, 71, 70, 71,
&end
#
# 0 AMB 20-2:860 0 AMB 20-1:860 4.50 (# 860:20 Double Ambig)
&rst
ixpk= 860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
igr1= 490, 491,1392,1393,
igr2= 487, 488,1403,1404,
&end
#
# 0 AMB 20-2:874 0 AMB 20-1:874 2.80 (# 874:20 Double Ambig)
&rst
ixpk= 874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1406,1407, 104, 105, 106,
igr2=1403,1404, 890, 891,
&end
#
# 0 AMB 20-2:880 0 AMB 20-1:880 3.50 (# 880:20 Double Ambig)
&rst
ixpk= 880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 673,1063,
igr2= 678, 679,1051,1052,
&end
#
# 0 AMB 20-2:884 0 AMB 20-1:884 2.80 (# 884:20 Double Ambig)
&rst
ixpk= 884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 386, 387, 487, 488,
igr2= 389, 390, 490, 491,
&end
#
# 0 AMB 20-2:886 0 AMB 20-1:886 4.50 (# 886:20 Double Ambig)
&rst
ixpk= 886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 673,1063,
igr2= 678, 679,1051,1052,
&end
#
# 0 AMB 20-2:901 0 AMB 20-1:901 2.80 (# 901:20 Double Ambig)
&rst
ixpk= 901, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 893, 894,1428,1429,
igr2= 890, 891,1403,1404,
&end
#
# 0 AMB 20-2:904 0 AMB 20-1:904 3.50 (# 904:20 Double Ambig)
&rst
ixpk= 904, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 850, 851,1428,1429,
igr2= 890, 891,1403,1404,
&end
#
# 0 AMB 20-2:911 0 AMB 20-1:911 3.50 (# 911:20 Double Ambig)
&rst
ixpk= 911, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1548,1499,
igr2=1550,1551,1550,1551,
&end
#
# 0 AMB 20-2:915 0 AMB 20-1:915 2.80 (# 915:20 Double Ambig)
&rst
ixpk= 915, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 675, 676,1048,1049,
igr2= 678, 679,1051,1052,
&end
#
# 0 AMB 20-2:929 0 AMB 20-1:929 2.80 (# 929:20 Double Ambig)
&rst
ixpk= 929, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 985, 986,1163,1164,1165,1167,1168,1169,
igr2= 982, 983,1161,
&end
#
# 0 AMB 20-2:943 0 AMB 20-1:943 4.50 (# 943:20 Double Ambig)
&rst
ixpk= 943, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 483, 361,
igr2= 490, 491, 389, 390,
&end
#
# 0 AMB 20-2:947 0 AMB 20-1:947 3.50 (# 947:20 Double Ambig)
&rst
ixpk= 947, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1250, 432, 433,
igr2=1252, 465, 466,
&end
#
# 0 AMB 20-2:963 0 AMB 20-1:963 2.80 (# 963:20 Double Ambig)
&rst
ixpk= 963, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 441, 442, 490, 491,
igr2= 444, 445, 444, 445,
&end
#
# 0 AMB 20-2:982 0 AMB 20-1:982 2.80 (# 982:20 Double Ambig)
&rst
ixpk= 982, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 663, 664,1472,1473,
igr2= 660, 661, 660, 661,
&end
#
# 0 AMB 20-2:998 0 AMB 20-1:998 2.80 (# 998:20 Double Ambig)
&rst
ixpk= 998, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1=1205,1206, 79, 80,
igr2=1202,1203, 76, 77,
&end
#
# 0 AMB 20-2:999 0 AMB 20-1:999 2.80 (# 999:20 Double Ambig)
&rst
ixpk= 999, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 73, 74,1196,1197, 815, 816,
igr2= 76, 77,1202,1203, 76, 77,
&end
#
# 0 AMB 20-2:100 35 ILE HA 3.50 (# 100:20 Single Ambig)
&rst
ixpk= 100, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 504, 533, 534,
&end
#
# 0 AMB 20-2:1014 35 ILE HG1- 2.80 (# 1014:20 Single Ambig)
&rst
ixpk= 1014, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 513, 514, 515, 549, 550, 551, 553, 554, 555,
igr2= 510, 511,
&end
#
# 0 AMB 20-2:1033 66 LYS HD- 3.50 (# 1033:20 Single Ambig)
&rst
ixpk= 1033, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 985, 986,1182,1183,1184,1186,1187,1188,
igr2= 988, 989,
&end
#
# 0 AMB 20-2:1035 54 LYS HD- 3.50 (# 1035:20 Single Ambig)
&rst
ixpk= 1035, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 809, 810, 73, 74,
igr2= 815, 816,
&end
#
# 0 AMB 20-2:1037 54 LYS HD- 3.50 (# 1037:20 Single Ambig)
&rst
ixpk= 1037, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 37, 38, 39, 568, 569, 570, 572, 573, 574,
igr2= 815, 816,
&end
#
# 0 AMB 20-2:1069 75 LEU HG 3.50 (# 1069:20 Single Ambig)
&rst
ixpk= 1069, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1123,1124, 294,
&end
#
# 0 AMB 20-2:107 12 SER HA 3.50 (# 107:20 Single Ambig)
&rst
ixpk= 107, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 183, 193,
&end
#
# 0 AMB 20-2:1071 55 ILE HG1- 3.50 (# 1071:20 Single Ambig)
&rst
ixpk= 1071, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 829, 100,
igr2= 837, 838,
&end
#
# 0 AMB 20-2:1111 31 PRO HG- 4.50 (# 1111:20 Single Ambig)
&rst
ixpk= 1111, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 447, 453,
igr2= 441, 442,
&end
#
# 0 AMB 20-2:1121 52 ILE HG1- 3.50 (# 1121:20 Single Ambig)
&rst
ixpk= 1121, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 770, 287, 789,
igr2= 780, 781,
&end
#
# 0 AMB 20-2:1123 52 ILE HG1- 2.80 (# 1123:20 Single Ambig)
&rst
ixpk= 1123, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 783, 784, 785, 738, 739, 740, 742, 743, 744, 738,
739, 740, 742, 743, 744,
igr2= 780, 781,
&end
#
# 0 AMB 20-2:115 3 ILE HA 2.80 (# 115:20 Single Ambig)
&rst
ixpk= 115, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 50, 770,
&end
#
# 0 AMB 20-2:1161 50 LEU HG 2.80 (# 1161:20 Single Ambig)
&rst
ixpk= 1161, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 780, 781, 733, 734,
&end
#
# 0 AMB 20-2:1162 50 LEU HG 2.80 (# 1162:20 Single Ambig)
&rst
ixpk= 1162, nxpk= 20, iat= -1, 736, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 738, 739, 740, 742, 743, 744, 783, 784, 785,
&end
#
# 0 AMB 20-2:1180 42 LEU HG 2.80 (# 1180:20 Single Ambig)
&rst
ixpk= 1180, nxpk= 20, iat= -1, 615, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 617, 618, 619, 621, 622, 623, 296, 297, 298, 300,
301, 302,
&end
#
# 0 AMB 20-2:119 3 ILE HA 2.80 (# 119:20 Single Ambig)
&rst
ixpk= 119, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 41, 42, 776, 777, 778,
&end
#
# 0 AMB 20-2:1191 76 LEU HG 3.50 (# 1191:20 Single Ambig)
&rst
ixpk= 1191, nxpk= 20, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 338, 342,1008,1017,
&end
#
# 0 AMB 20-2:1197 39 LEU HG 2.80 (# 1197:20 Single Ambig)
&rst
ixpk= 1197, nxpk= 20, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
&end
#
# 0 AMB 20-2:1207 96 LEU HG 2.80 (# 1207:20 Single Ambig)
&rst
ixpk= 1207, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
&end
#
# 0 AMB 20-2:1210 96 LEU MDX 2.80 (# 1210:20 Single Ambig)
&rst
ixpk= 1210, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1367,1368,1453,1440,1441,1442,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 0 AMB 20-2:1213 75 LEU MDX 3.50 (# 1213:20 Single Ambig)
&rst
ixpk= 1213, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 328,1138,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:1216 75 LEU MDX 3.50 (# 1216:20 Single Ambig)
&rst
ixpk= 1216, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 320, 321,1098,1099,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:1219 75 LEU MDX 2.80 (# 1219:20 Single Ambig)
&rst
ixpk= 1219, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1123,1124,1373,1374, 294,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:1220 75 LEU MDX 2.80 (# 1220:20 Single Ambig)
&rst
ixpk= 1220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 296, 297, 298, 300, 301, 302, 568, 569, 570, 572,
573, 574,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:1221 75 LEU MDX 2.80 (# 1221:20 Single Ambig)
&rst
ixpk= 1221, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:1227 96 LEU MDX 2.80 (# 1227:20 Single Ambig)
&rst
ixpk= 1227, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1450,1451,1126, 566,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 0 AMB 20-2:1228 96 LEU MDX 3.50 (# 1228:20 Single Ambig)
&rst
ixpk= 1228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1370,1371,1406,1407,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 0 AMB 20-2:1230 96 LEU MDX 2.80 (# 1230:20 Single Ambig)
&rst
ixpk= 1230, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 549, 550, 551, 553, 554, 555,1128,1129,1130,1132,
1133,1134, 513, 514, 515,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 0 AMB 20-2:1246 79 LYS HG- 4.50 (# 1246:20 Single Ambig)
&rst
ixpk= 1246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 257,1194,
igr2=1199,1200,
&end
#
# 0 AMB 20-2:1257 42 LEU MDX 4.50 (# 1257:20 Single Ambig)
&rst
ixpk= 1257, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1472,1473, 597, 598,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1258 42 LEU MDX 2.80 (# 1258:20 Single Ambig)
&rst
ixpk= 1258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 660, 661, 682, 683, 684,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1269 42 LEU MDX 2.80 (# 1269:20 Single Ambig)
&rst
ixpk= 1269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 612, 613, 615,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1272 42 LEU MDY 3.50 (# 1272:20 Single Ambig)
&rst
ixpk= 1272, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 660, 661, 682, 683, 684,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1273 42 LEU MDY 2.80 (# 1273:20 Single Ambig)
&rst
ixpk= 1273, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 612, 613, 615,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 0 AMB 20-2:1290 21 LEU MDX 2.80 (# 1290:20 Single Ambig)
&rst
ixpk= 1290, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 289, 308,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1292 21 LEU MDX 2.80 (# 1292:20 Single Ambig)
&rst
ixpk= 1292, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1123,1124, 294,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1304 54 LYS HG- 4.50 (# 1304:20 Single Ambig)
&rst
ixpk= 1304, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 320, 321, 818, 819,
igr2= 812, 813,
&end
#
# 0 AMB 20-2:1313 76 LEU MDX 2.80 (# 1313:20 Single Ambig)
&rst
ixpk= 1313, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1301,1302,1303,1111,1112,1113,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 0 AMB 20-2:1314 76 LEU MDX 2.80 (# 1314:20 Single Ambig)
&rst
ixpk= 1314, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1145,1182,1183,1184,1186,1187,1188,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 0 AMB 20-2:1316 99 LEU MDY 4.50 (# 1316:20 Single Ambig)
&rst
ixpk= 1316, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1497,1546,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 20-2:1321 99 LEU MDY 2.80 (# 1321:20 Single Ambig)
&rst
ixpk= 1321, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1556,1557,1123,1124,1161,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 20-2:1331 99 LEU MDX 4.50 (# 1331:20 Single Ambig)
&rst
ixpk= 1331, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1497,1546,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 0 AMB 20-2:1350 104 LEU MDY 2.80 (# 1350:20 Single Ambig)
&rst
ixpk= 1350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 682, 683, 684, 259,1520,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 0 AMB 20-2:1351 104 LEU MDY 2.80 (# 1351:20 Single Ambig)
&rst
ixpk= 1351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 711, 712,1592,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 0 AMB 20-2:1357 50 LEU MDX 4.50 (# 1357:20 Single Ambig)
&rst
ixpk= 1357, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 273, 772,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:1359 50 LEU MDX 3.50 (# 1359:20 Single Ambig)
&rst
ixpk= 1359, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 259,1520, 682, 683, 684, 660, 661,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:1362 6 ALA MB 4.50 (# 1362:20 Single Ambig)
&rst
ixpk= 1362, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 197, 198, 70, 71,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:1364 6 ALA MB 5.50 (# 1364:20 Single Ambig)
&rst
ixpk= 1364, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 152, 66,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:1368 6 ALA MB 2.80 (# 1368:20 Single Ambig)
&rst
ixpk= 1368, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:1370 6 ALA MB 4.50 (# 1370:20 Single Ambig)
&rst
ixpk= 1370, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 833, 834, 835, 214, 215, 216,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:1382 83 VAL MGY 4.50 (# 1382:20 Single Ambig)
&rst
ixpk= 1382, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1142,1143, 982, 983,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:1383 83 VAL MGY 3.50 (# 1383:20 Single Ambig)
&rst
ixpk= 1383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1142,1143, 988, 989,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 0 AMB 20-2:1400 100 VAL MGX 2.80 (# 1400:20 Single Ambig)
&rst
ixpk= 1400, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1520, 682, 683, 684,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 0 AMB 20-2:1405 19 VAL MGX 2.80 (# 1405:20 Single Ambig)
&rst
ixpk= 1405, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 257,1194,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1410 19 VAL MGX 2.80 (# 1410:20 Single Ambig)
&rst
ixpk= 1410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1202,1203, 711, 712,1592,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1411 19 VAL MGX 4.50 (# 1411:20 Single Ambig)
&rst
ixpk= 1411, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1589,1590,1161,1550,1551,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1412 19 VAL MGX 2.80 (# 1412:20 Single Ambig)
&rst
ixpk= 1412, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1199,1200,1196,1197,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1415 100 VAL MGX 3.50 (# 1415:20 Single Ambig)
&rst
ixpk= 1415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1504,1589,1590,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 0 AMB 20-2:1420 39 LEU MDX 2.80 (# 1420:20 Single Ambig)
&rst
ixpk= 1420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 566,1126,1450,1451,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 20-2:1421 39 LEU MDX 2.80 (# 1421:20 Single Ambig)
&rst
ixpk= 1421, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 612, 613, 615, 809, 810,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 20-2:1422 39 LEU MDX 2.80 (# 1422:20 Single Ambig)
&rst
ixpk= 1422, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 563, 564, 815, 816,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 20-2:1424 39 LEU MDX 2.80 (# 1424:20 Single Ambig)
&rst
ixpk= 1424, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1=1128,1129,1130,1132,1133,1134, 780, 781,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 20-2:1432 20 VAL MGX 3.50 (# 1432:20 Single Ambig)
&rst
ixpk= 1432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 755, 756, 310, 311, 312,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1434 20 VAL MGX 3.50 (# 1434:20 Single Ambig)
&rst
ixpk= 1434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 287, 770,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1435 20 VAL MGX 4.50 (# 1435:20 Single Ambig)
&rst
ixpk= 1435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 233, 748,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1436 20 VAL MGX 2.80 (# 1436:20 Single Ambig)
&rst
ixpk= 1436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 273, 772,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1440 20 VAL MGX 2.80 (# 1440:20 Single Ambig)
&rst
ixpk= 1440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 752, 753, 275,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1444 53 VAL MGX 2.80 (# 1444:20 Single Ambig)
&rst
ixpk= 1444, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 92, 93, 94, 831,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:1452 38 VAL MGY 2.80 (# 1452:20 Single Ambig)
&rst
ixpk= 1452, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 502,1395,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1453 38 VAL MGY 5.50 (# 1453:20 Single Ambig)
&rst
ixpk= 1453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 521,1448, 580,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1456 38 VAL MGY 4.50 (# 1456:20 Single Ambig)
&rst
ixpk= 1456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 536, 537,1472,1473,1428,1429,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1457 38 VAL MGY 2.80 (# 1457:20 Single Ambig)
&rst
ixpk= 1457, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 533, 534, 504,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1462 38 VAL MGY 4.50 (# 1462:20 Single Ambig)
&rst
ixpk= 1462, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1468 84 VAL MGY 2.80 (# 1468:20 Single Ambig)
&rst
ixpk= 1468, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1196,1197,1202,1203,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:1480 100 VAL MGY 2.80 (# 1480:20 Single Ambig)
&rst
ixpk= 1480, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1520, 682, 683, 684,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 0 AMB 20-2:1482 100 VAL MGY 4.50 (# 1482:20 Single Ambig)
&rst
ixpk= 1482, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 615,1589,1590,1501,1502,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 0 AMB 20-2:1484 53 VAL MGX 2.80 (# 1484:20 Single Ambig)
&rst
ixpk= 1484, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 789, 805, 50, 770,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:1485 53 VAL MGY 2.80 (# 1485:20 Single Ambig)
&rst
ixpk= 1485, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 791, 772, 807,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:1486 53 VAL MGY 3.50 (# 1486:20 Single Ambig)
&rst
ixpk= 1486, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 197, 198, 752, 753,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:1488 53 VAL MGY 2.80 (# 1488:20 Single Ambig)
&rst
ixpk= 1488, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 56, 57, 58, 60, 61, 62, 56, 57, 58, 60,
61, 62,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:1490 7 THR MG2 4.50 (# 1490:20 Single Ambig)
&rst
ixpk= 1490, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 112, 88,
igr2= 104, 105, 106,
&end
#
# 0 AMB 20-2:150 93 LYS HA 2.80 (# 150:20 Single Ambig)
&rst
ixpk= 150, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1450,1451,1403,1404,
&end
#
# 0 AMB 20-2:1502 100 VAL MGY 2.80 (# 1502:20 Single Ambig)
&rst
ixpk= 1502, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 296, 297, 298, 300, 301, 302, 296, 297, 298, 300,
301, 302, 617, 618, 619, 621, 622, 623,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 0 AMB 20-2:1508 38 VAL MGX 5.50 (# 1508:20 Single Ambig)
&rst
ixpk= 1508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1392,1393, 663, 664, 585, 586,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1514 77 VAL MGY 4.50 (# 1514:20 Single Ambig)
&rst
ixpk= 1514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1280,1516,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 0 AMB 20-2:1515 77 VAL MGY 3.50 (# 1515:20 Single Ambig)
&rst
ixpk= 1515, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 289,1140,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 0 AMB 20-2:1520 77 VAL MGY 2.80 (# 1520:20 Single Ambig)
&rst
ixpk= 1520, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1161,1123,1124,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 0 AMB 20-2:1525 20 VAL MGY 3.50 (# 1525:20 Single Ambig)
&rst
ixpk= 1525, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 308, 289,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1526 20 VAL MGY 2.80 (# 1526:20 Single Ambig)
&rst
ixpk= 1526, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 273, 772,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:1529 20 VAL MGY 2.80 (# 1529:20 Single Ambig)
&rst
ixpk= 1529, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 752, 753, 275, 237, 238,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 0 AMB 20-2:153 93 LYS HA 3.50 (# 153:20 Single Ambig)
&rst
ixpk= 153, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
&end
#
# 0 AMB 20-2:1534 53 VAL MGY 4.50 (# 1534:20 Single Ambig)
&rst
ixpk= 1534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 761, 762, 320, 321,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:1536 22 ALA MB 3.50 (# 1536:20 Single Ambig)
&rst
ixpk= 1536, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1=1147,1148,1149,1151,1152,1153,1128,1129,1130,1132,
1133,1134,1254,1255,1256,1258,1259,1260,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1539 22 ALA MB 3.50 (# 1539:20 Single Ambig)
&rst
ixpk= 1539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1138, 328,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1540 22 ALA MB 4.50 (# 1540:20 Single Ambig)
&rst
ixpk= 1540, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 789, 805, 770,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1544 22 ALA MB 4.50 (# 1544:20 Single Ambig)
&rst
ixpk= 1544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 318, 807, 791, 772,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1546 22 ALA MB 2.80 (# 1546:20 Single Ambig)
&rst
ixpk= 1546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1142,1143, 793,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1548 22 ALA MB 2.80 (# 1548:20 Single Ambig)
&rst
ixpk= 1548, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1182,1183,1184,1186,1187,1188,1182,1183,1184,1186,
1187,1188, 277, 278, 279, 281, 282, 283,1145,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1549 22 ALA MB 2.80 (# 1549:20 Single Ambig)
&rst
ixpk= 1549, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 310, 311, 312,
&end
#
# 0 AMB 20-2:1556 38 VAL MGX 2.80 (# 1556:20 Single Ambig)
&rst
ixpk= 1556, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1409,1410, 615,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:1558 77 VAL MGX 5.50 (# 1558:20 Single Ambig)
&rst
ixpk= 1558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1280,1516,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 0 AMB 20-2:1565 63 THR MG2 4.50 (# 1565:20 Single Ambig)
&rst
ixpk= 1565, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 338, 342,1008,1017,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:1571 63 THR MG2 3.50 (# 1571:20 Single Ambig)
&rst
ixpk= 1571, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 833, 834, 835, 214, 215, 216,
igr2= 953, 954, 955,
&end
#
# 0 AMB 20-2:1575 4 VAL MGY 2.80 (# 1575:20 Single Ambig)
&rst
ixpk= 1575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 50, 770,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1577 4 VAL MGY 4.50 (# 1577:20 Single Ambig)
&rst
ixpk= 1577, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 791, 772, 273,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1580 4 VAL MGY 4.50 (# 1580:20 Single Ambig)
&rst
ixpk= 1580, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 761, 762, 79, 80,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1583 4 VAL MGY 2.80 (# 1583:20 Single Ambig)
&rst
ixpk= 1583, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 755, 756, 25, 26, 27,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1584 4 VAL MGY 2.80 (# 1584:20 Single Ambig)
&rst
ixpk= 1584, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1590 19 VAL MGY 2.80 (# 1590:20 Single Ambig)
&rst
ixpk= 1590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 257,1194,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1593 19 VAL MGY 2.80 (# 1593:20 Single Ambig)
&rst
ixpk= 1593, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1=1202,1203, 711, 712,1592,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:1628 86 THR MG2 2.80 (# 1628:20 Single Ambig)
&rst
ixpk= 1628, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1326,1327,1328,1330,1331,1332,1254,1255,1256,1258,
1259,1260,
igr2=1301,1302,1303,
&end
#
# 0 AMB 20-2:1629 4 VAL MGX 3.50 (# 1629:20 Single Ambig)
&rst
ixpk= 1629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 50, 770,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1633 4 VAL MGX 4.50 (# 1633:20 Single Ambig)
&rst
ixpk= 1633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 755, 756, 25, 26, 27,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 0 AMB 20-2:1643 26 ALA MB 4.50 (# 1643:20 Single Ambig)
&rst
ixpk= 1643, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 425, 878, 879,
igr2= 376, 377, 378,
&end
#
# 0 AMB 20-2:1649 69 VAL MGX 3.50 (# 1649:20 Single Ambig)
&rst
ixpk= 1649, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 336, 344, 338, 342,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 0 AMB 20-2:165 41 GLU HA 2.80 (# 165:20 Single Ambig)
&rst
ixpk= 165, nxpk= 20, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 593, 639,
&end
#
# 0 AMB 20-2:1668 72 ILE QG2 4.50 (# 1668:20 Single Ambig)
&rst
ixpk= 1668, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1101, 330,
igr2=1078,1079,1080,
&end
#
# 0 AMB 20-2:167 41 GLU HA 2.80 (# 167:20 Single Ambig)
&rst
ixpk= 167, nxpk= 20, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 643, 644, 597, 598,
&end
#
# 0 AMB 20-2:1673 72 ILE QG2 2.80 (# 1673:20 Single Ambig)
&rst
ixpk= 1673, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 864, 865, 866, 868, 869, 870,1082,1083,
igr2=1078,1079,1080,
&end
#
# 0 AMB 20-2:168 98 GLU HA 2.80 (# 168:20 Single Ambig)
&rst
ixpk= 168, nxpk= 20, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1486,1487,1469,1470,
&end
#
# 0 AMB 20-2:1687 15 THR MG2 4.50 (# 1687:20 Single Ambig)
&rst
ixpk= 1687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 275, 197, 198,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:1688 15 THR MG2 4.50 (# 1688:20 Single Ambig)
&rst
ixpk= 1688, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 793,1142,1143,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:169 40 GLU HA 4.50 (# 169:20 Single Ambig)
&rst
ixpk= 169, nxpk= 20, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 593, 639,
&end
#
# 0 AMB 20-2:1690 15 THR MG2 2.80 (# 1690:20 Single Ambig)
&rst
ixpk= 1690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1182,1183,1184,1186,1187,1188, 277, 278, 279, 281,
282, 283,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:1691 15 THR MG2 2.80 (# 1691:20 Single Ambig)
&rst
ixpk= 1691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:1694 95 ALA MB 2.80 (# 1694:20 Single Ambig)
&rst
ixpk= 1694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1438,1365,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:1697 95 ALA MB 4.50 (# 1697:20 Single Ambig)
&rst
ixpk= 1697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1425,1426,1469,1470,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:1700 95 ALA MB 4.50 (# 1700:20 Single Ambig)
&rst
ixpk= 1700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:1707 57 VAL MGY 2.80 (# 1707:20 Single Ambig)
&rst
ixpk= 1707, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1085,1086,1087, 376, 377, 378,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:1709 13 ALA MB 2.80 (# 1709:20 Single Ambig)
&rst
ixpk= 1709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 183, 193,
igr2= 187, 188, 189,
&end
#
# 0 AMB 20-2:1715 84 VAL MGX 3.50 (# 1715:20 Single Ambig)
&rst
ixpk= 1715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1280,1233,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:1719 84 VAL MGX 3.50 (# 1719:20 Single Ambig)
&rst
ixpk= 1719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1240,1241,1287,1288,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:1721 84 VAL MGX 3.50 (# 1721:20 Single Ambig)
&rst
ixpk= 1721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1196,1197,1202,1203,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:1723 84 VAL MGX 3.50 (# 1723:20 Single Ambig)
&rst
ixpk= 1723, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1196,1197,1199,1200,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:1725 84 VAL MGX 4.50 (# 1725:20 Single Ambig)
&rst
ixpk= 1725, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
igr1=1506,1507,1508,1510,1511,1512,1182,1183,1184,1186,
1187,1188,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 0 AMB 20-2:1731 64 ALA MB 2.80 (# 1731:20 Single Ambig)
&rst
ixpk= 1731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 971,1028,
igr2= 965, 966, 967,
&end
#
# 0 AMB 20-2:1741 52 ILE QG2 2.80 (# 1741:20 Single Ambig)
&rst
ixpk= 1741, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 789, 805, 50,
igr2= 776, 777, 778,
&end
#
# 0 AMB 20-2:1742 52 ILE QG2 2.80 (# 1742:20 Single Ambig)
&rst
ixpk= 1742, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 772, 791,
igr2= 776, 777, 778,
&end
#
# 0 AMB 20-2:1747 52 ILE QG2 4.50 (# 1747:20 Single Ambig)
&rst
ixpk= 1747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 291, 292, 812, 813,
igr2= 776, 777, 778,
&end
#
# 0 AMB 20-2:1748 52 ILE QG2 2.80 (# 1748:20 Single Ambig)
&rst
ixpk= 1748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574, 296, 297, 298, 300, 301, 302,
igr2= 776, 777, 778,
&end
#
# 0 AMB 20-2:1756 46 MET ME 4.50 (# 1756:20 Single Ambig)
&rst
ixpk= 1756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 711, 712,1592,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1757 46 MET ME 5.50 (# 1757:20 Single Ambig)
&rst
ixpk= 1757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1589,1590,1504,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1760 46 MET ME 3.50 (# 1760:20 Single Ambig)
&rst
ixpk= 1760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:1772 3 ILE QG2 2.80 (# 1772:20 Single Ambig)
&rst
ixpk= 1772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 50, 805, 770,
igr2= 37, 38, 39,
&end
#
# 0 AMB 20-2:1774 3 ILE QG2 4.50 (# 1774:20 Single Ambig)
&rst
ixpk= 1774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 791, 772, 807,
igr2= 37, 38, 39,
&end
#
# 0 AMB 20-2:1778 3 ILE QG2 2.80 (# 1778:20 Single Ambig)
&rst
ixpk= 1778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 35, 809, 810,
igr2= 37, 38, 39,
&end
#
# 0 AMB 20-2:178 97 GLN HA 2.80 (# 178:20 Single Ambig)
&rst
ixpk= 178, nxpk= 20, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1469,1470,1520, 682, 683, 684,
&end
#
# 0 AMB 20-2:1796 35 ILE QG2 2.80 (# 1796:20 Single Ambig)
&rst
ixpk= 1796, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1095,1096, 566,
igr2= 506, 507, 508,
&end
#
# 0 AMB 20-2:1799 35 ILE QG2 2.80 (# 1799:20 Single Ambig)
&rst
ixpk= 1799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
igr2= 506, 507, 508,
&end
#
# 0 AMB 20-2:1803 72 ILE QD1 5.50 (# 1803:20 Single Ambig)
&rst
ixpk= 1803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 367, 363,
igr2=1085,1086,1087,
&end
#
# 0 AMB 20-2:1810 72 ILE QD1 2.80 (# 1810:20 Single Ambig)
&rst
ixpk= 1810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 864, 865, 866, 868, 869, 870,1082,1083,
igr2=1085,1086,1087,
&end
#
# 0 AMB 20-2:1822 35 ILE QG2 4.50 (# 1822:20 Single Ambig)
&rst
ixpk= 1822, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 563, 564, 549, 550, 551, 553, 554, 555,
igr2= 506, 507, 508,
&end
#
# 0 AMB 20-2:1828 55 ILE QG2 3.50 (# 1828:20 Single Ambig)
&rst
ixpk= 1828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 330, 807,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:184 97 GLN HA 3.50 (# 184:20 Single Ambig)
&rst
ixpk= 184, nxpk= 20, iat= -1,1467, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 20-2:1841 36 ALA MB 5.50 (# 1841:20 Single Ambig)
&rst
ixpk= 1841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 539, 502, 392,
igr2= 523, 524, 525,
&end
#
# 0 AMB 20-2:1845 36 ALA MB 4.50 (# 1845:20 Single Ambig)
&rst
ixpk= 1845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1= 533, 534, 504, 487, 488,
igr2= 523, 524, 525,
&end
#
# 0 AMB 20-2:1848 36 ALA MB 4.50 (# 1848:20 Single Ambig)
&rst
ixpk= 1848, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
igr2= 523, 524, 525,
&end
#
# 0 AMB 20-2:1853 55 ILE QD1 4.50 (# 1853:20 Single Ambig)
&rst
ixpk= 1853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 100, 829,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:1855 55 ILE QD1 3.50 (# 1855:20 Single Ambig)
&rst
ixpk= 1855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 905, 906, 116, 117,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:1858 55 ILE QD1 2.80 (# 1858:20 Single Ambig)
&rst
ixpk= 1858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 831, 92, 93, 94,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:1879 35 ILE QD1 4.50 (# 1879:20 Single Ambig)
&rst
ixpk= 1879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 502,1395,
igr2= 513, 514, 515,
&end
#
# 0 AMB 20-2:1886 35 ILE QD1 2.80 (# 1886:20 Single Ambig)
&rst
ixpk= 1886, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2= 513, 514, 515,
&end
#
# 0 AMB 20-2:1896 3 ILE QD1 4.50 (# 1896:20 Single Ambig)
&rst
ixpk= 1896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 582, 583, 818, 819,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1898 3 ILE QD1 4.50 (# 1898:20 Single Ambig)
&rst
ixpk= 1898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 774, 566,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:1925 74 THR HA 3.50 (# 1925:20 Single Ambig)
&rst
ixpk= 1925, nxpk= 20, iat= -1,1107, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1128,1129,1130,1132,1133,1134,1326,1327,1328,1330,
1331,1332,1147,1148,1149,1151,1152,1153,
&end
#
# 0 AMB 20-2:1937 19 VAL HA 2.80 (# 1937:20 Single Ambig)
&rst
ixpk= 1937, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 261, 262, 263, 265, 266, 267, 277, 278, 279, 281,
282, 283,
&end
#
# 0 AMB 20-2:1942 77 VAL HA 5.50 (# 1942:20 Single Ambig)
&rst
ixpk= 1942, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1161,1284,1285,
&end
#
# 0 AMB 20-2:1943 77 VAL HA 2.80 (# 1943:20 Single Ambig)
&rst
ixpk= 1943, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1163,1164,1165,1167,1168,1169, 296, 297, 298, 300,
301, 302,1182,1183,1184,1186,1187,1188,
&end
#
# 0 AMB 20-2:1949 52 ILE HA 2.80 (# 1949:20 Single Ambig)
&rst
ixpk= 1949, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 789, 770,
&end
#
# 0 AMB 20-2:1952 52 ILE HA 2.80 (# 1952:20 Single Ambig)
&rst
ixpk= 1952, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 776, 777, 778, 277, 278, 279, 281, 282, 283, 783,
784, 785, 738, 739, 740, 742, 743, 744, 296, 297,
298, 300, 301, 302,
&end
#
# 0 AMB 20-2:1956 20 VAL HA 2.80 (# 1956:20 Single Ambig)
&rst
ixpk= 1956, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 752, 753, 275,
&end
#
# 0 AMB 20-2:1957 20 VAL HA 2.80 (# 1957:20 Single Ambig)
&rst
ixpk= 1957, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 277, 278, 279, 281, 282, 283, 738, 739, 740, 742,
743, 744,
&end
#
# 0 AMB 20-2:1959 53 VAL HA 2.80 (# 1959:20 Single Ambig)
&rst
ixpk= 1959, nxpk= 20, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 805, 50, 789,
&end
#
# 0 AMB 20-2:1962 53 VAL HA 2.80 (# 1962:20 Single Ambig)
&rst
ixpk= 1962, nxpk= 20, iat= -1, 791, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 20-2:1965 24 PHE HA 3.50 (# 1965:20 Single Ambig)
&rst
ixpk= 1965, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 336, 344, 338, 342,
&end
#
# 0 AMB 20-2:1967 24 PHE HA 4.50 (# 1967:20 Single Ambig)
&rst
ixpk= 1967, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 864, 865, 866, 868, 869, 870, 831, 310, 311, 312,
&end
#
# 0 AMB 20-2:1974 54 LYS HA 3.50 (# 1974:20 Single Ambig)
&rst
ixpk= 1974, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 805, 789,
&end
#
# 0 AMB 20-2:1976 54 LYS HA 3.50 (# 1976:20 Single Ambig)
&rst
ixpk= 1976, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 320, 321, 818, 819,
&end
#
# 0 AMB 20-2:1987 79 LYS HA 4.50 (# 1987:20 Single Ambig)
&rst
ixpk= 1987, nxpk= 20, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1196,1197,1202,1203,
&end
#
# 0 AMB 20-2:1994 78 LEU HA 2.80 (# 1994:20 Single Ambig)
&rst
ixpk= 1994, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1180,1177,1178,
&end
#
# 0 AMB 20-2:1995 78 LEU HA 3.50 (# 1995:20 Single Ambig)
&rst
ixpk= 1995, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1182,1183,1184,1186,1187,1188,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:2000 75 LEU HA 2.80 (# 2000:20 Single Ambig)
&rst
ixpk= 2000, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1138, 328,
&end
#
# 0 AMB 20-2:2013 60 ASN HA 3.50 (# 2013:20 Single Ambig)
&rst
ixpk= 2013, nxpk= 20, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 905, 906, 116, 117,
&end
#
# 0 AMB 20-2:202 66 LYS HA 4.50 (# 202:20 Single Ambig)
&rst
ixpk= 202, nxpk= 20, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1000,1008,1017,
&end
#
# 0 AMB 20-2:2037 22 ALA HA 3.50 (# 2037:20 Single Ambig)
&rst
ixpk= 2037, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 772, 791, 807, 318,
&end
#
# 0 AMB 20-2:2039 22 ALA HA 3.50 (# 2039:20 Single Ambig)
&rst
ixpk= 2039, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 20-2:2041 22 ALA HA 4.50 (# 2041:20 Single Ambig)
&rst
ixpk= 2041, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 296, 297, 298, 300, 301, 302, 277, 278, 279, 281,
282, 283,1182,1183,1184,1186,1187,1188,
&end
#
# 0 AMB 20-2:205 67 TYR HA 2.80 (# 205:20 Single Ambig)
&rst
ixpk= 205, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1008,1017,1000,
&end
#
# 0 AMB 20-2:2075 100 VAL HA 5.50 (# 2075:20 Single Ambig)
&rst
ixpk= 2075, nxpk= 20, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1546,1497,
&end
#
# 0 AMB 20-2:2085 83 VAL HA 5.50 (# 2085:20 Single Ambig)
&rst
ixpk= 2085, nxpk= 20, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1266,1235,
&end
#
# 0 AMB 20-2:2093 87 SER HB- 5.50 (# 2093:20 Single Ambig)
&rst
ixpk= 2093, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1111,1112,1113,1301,1302,1303,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2095 87 SER HB- 4.50 (# 2095:20 Single Ambig)
&rst
ixpk= 2095, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1=1506,1507,1508,1510,1511,1512, 296, 297, 298, 300,
301, 302,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2097 87 SER HB- 5.50 (# 2097:20 Single Ambig)
&rst
ixpk= 2097, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:2099 11 PHE HA 4.50 (# 2099:20 Single Ambig)
&rst
ixpk= 2099, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 193, 183,
&end
#
# 0 AMB 20-2:2112 32 CYS HA 4.50 (# 2112:20 Single Ambig)
&rst
ixpk= 2112, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 504, 487, 488,
&end
#
# 0 AMB 20-2:2118 12 SER HA 5.50 (# 2118:20 Single Ambig)
&rst
ixpk= 2118, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 187, 188, 189, 988, 989, 793,
&end
#
# 0 AMB 20-2:2120 35 ILE HA 3.50 (# 2120:20 Single Ambig)
&rst
ixpk= 2120, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 547, 490, 491,
&end
#
# 0 AMB 20-2:2127 16 SER HA 5.50 (# 2127:20 Single Ambig)
&rst
ixpk= 2127, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
1187,1188,
&end
#
# 0 AMB 20-2:2130 93 LYS HA 4.50 (# 2130:20 Single Ambig)
&rst
ixpk= 2130, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1453,1440,1441,1442,
&end
#
# 0 AMB 20-2:2131 90 PHE HA 5.50 (# 2131:20 Single Ambig)
&rst
ixpk= 2131, nxpk= 20, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
igr1= 510, 511, 494, 495, 496,
&end
#
# 0 AMB 20-2:2134 90 PHE HA 5.50 (# 2134:20 Single Ambig)
&rst
ixpk= 2134, nxpk= 20, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1095,1096, 444, 445,
&end
#
# 0 AMB 20-2:2136 92 PRO HA 4.50 (# 2136:20 Single Ambig)
&rst
ixpk= 2136, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1386,1387,1401,
&end
#
# 0 AMB 20-2:2137 93 LYS HA 5.50 (# 2137:20 Single Ambig)
&rst
ixpk= 2137, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1395, 502,
&end
#
# 0 AMB 20-2:2143 94 GLU HA 4.50 (# 2143:20 Single Ambig)
&rst
ixpk= 2143, nxpk= 20, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1403,1404,1450,1451,
&end
#
# 0 AMB 20-2:2161 42 LEU HA 3.50 (# 2161:20 Single Ambig)
&rst
ixpk= 2161, nxpk= 20, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 663, 664,1472,1473, 597, 598,
&end
#
# 0 AMB 20-2:2188 79 LYS HB- 5.50 (# 2188:20 Single Ambig)
&rst
ixpk= 2188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1214,1264,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:2211 3 ILE HB 5.50 (# 2211:20 Single Ambig)
&rst
ixpk= 2211, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 50, 770, 805,
&end
#
# 0 AMB 20-2:2220 54 LYS HD- 5.50 (# 2220:20 Single Ambig)
&rst
ixpk= 2220, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 805, 789, 50,
igr2= 815, 816,
&end
#
# 0 AMB 20-2:2221 75 LEU HG 5.50 (# 2221:20 Single Ambig)
&rst
ixpk= 2221, nxpk= 20, iat= -1,1126, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1138, 328,
&end
#
# 0 AMB 20-2:2224 3 ILE HG1- 5.50 (# 2224:20 Single Ambig)
&rst
ixpk= 2224, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 770, 50, 805, 789,
igr2= 41, 42,
&end
#
# 0 AMB 20-2:2228 75 LEU MDX 5.50 (# 2228:20 Single Ambig)
&rst
ixpk= 2228, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 316,1309,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:2231 79 LYS HG- 5.50 (# 2231:20 Single Ambig)
&rst
ixpk= 2231, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1214,1264,
igr2=1199,1200,
&end
#
# 0 AMB 20-2:2235 19 VAL MGX 5.50 (# 2235:20 Single Ambig)
&rst
ixpk= 2235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1214,1264,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:2242 2 ALA MB 5.50 (# 2242:20 Single Ambig)
&rst
ixpk= 2242, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 50, 770,
igr2= 25, 26, 27,
&end
#
# 0 AMB 20-2:2244 55 ILE QD1 4.50 (# 2244:20 Single Ambig)
&rst
ixpk= 2244, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 112, 88,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:2245 55 ILE QD1 5.50 (# 2245:20 Single Ambig)
&rst
ixpk= 2245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 827,1138,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:2246 3 ILE QD1 5.50 (# 2246:20 Single Ambig)
&rst
ixpk= 2246, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 770, 50, 805, 789,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:2251 15 THR MG2 5.50 (# 2251:20 Single Ambig)
&rst
ixpk= 2251, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 193, 183,
igr2= 214, 215, 216,
&end
#
# 0 AMB 20-2:2261 3 ILE QD1 5.50 (# 2261:20 Single Ambig)
&rst
ixpk= 2261, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 639, 593,
igr2= 44, 45, 46,
&end
#
# 0 AMB 20-2:2262 52 ILE QD1 5.50 (# 2262:20 Single Ambig)
&rst
ixpk= 2262, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 639, 593,
igr2= 783, 784, 785,
&end
#
# 0 AMB 20-2:2267 72 ILE QG2 4.50 (# 2267:20 Single Ambig)
&rst
ixpk= 2267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1072,1044,
igr2=1078,1079,1080,
&end
#
# 0 AMB 20-2:2269 74 THR MG2 5.50 (# 2269:20 Single Ambig)
&rst
ixpk= 2269, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1105,1028,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:227 42 LEU HA 2.80 (# 227:20 Single Ambig)
&rst
ixpk= 227, nxpk= 20, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 660, 661, 597, 598,
&end
#
# 0 AMB 20-2:228 42 LEU HA 2.80 (# 228:20 Single Ambig)
&rst
ixpk= 228, nxpk= 20, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 612, 613, 615,
&end
#
# 0 AMB 20-2:229 42 LEU HA 2.80 (# 229:20 Single Ambig)
&rst
ixpk= 229, nxpk= 20, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
&end
#
# 0 AMB 20-2:2303 73 PRO HD- 5.50 (# 2303:20 Single Ambig)
&rst
ixpk= 2303, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 451,1336,
igr2=1092,1093,
&end
#
# 0 AMB 20-2:231 8 ASP HA 4.50 (# 231:20 Single Ambig)
&rst
ixpk= 231, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 102, 143,
&end
#
# 0 AMB 20-2:2364 54 LYS HA 4.50 (# 2364:20 Single Ambig)
&rst
ixpk= 2364, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 367, 363,
&end
#
# 0 AMB 20-2:2418 35 ILE HB 4.50 (# 2418:20 Single Ambig)
&rst
ixpk= 2418, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1353,1357, 519,
&end
#
# 0 AMB 20-2:2428 54 LYS HB- 5.50 (# 2428:20 Single Ambig)
&rst
ixpk= 2428, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 367, 363,
igr2= 809, 810,
&end
#
# 0 AMB 20-2:243 43 ASP HA 4.50 (# 243:20 Single Ambig)
&rst
ixpk= 243, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 671, 695,
&end
#
# 0 AMB 20-2:2447 76 LEU MDX 5.50 (# 2447:20 Single Ambig)
&rst
ixpk= 2447, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1=1008,1017, 338, 342,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 0 AMB 20-2:2450 100 VAL MGX 5.50 (# 2450:20 Single Ambig)
&rst
ixpk= 2450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1497,1546,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 0 AMB 20-2:2453 95 ALA MB 5.50 (# 2453:20 Single Ambig)
&rst
ixpk= 2453, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1497,1355,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:246 43 ASP HA 4.50 (# 246:20 Single Ambig)
&rst
ixpk= 246, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 639, 729,
&end
#
# 0 AMB 20-2:2461 35 ILE QD1 5.50 (# 2461:20 Single Ambig)
&rst
ixpk= 2461, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1=1353,1357, 519,
igr2= 513, 514, 515,
&end
#
# 0 AMB 20-2:2474 52 ILE QG2 5.50 (# 2474:20 Single Ambig)
&rst
ixpk= 2474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 308, 289,
igr2= 776, 777, 778,
&end
#
# 0 AMB 20-2:2495 35 ILE QD1 5.50 (# 2495:20 Single Ambig)
&rst
ixpk= 2495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 453,1338,1339, 447,
igr2= 513, 514, 515,
&end
#
# 0 AMB 20-2:2496 55 ILE QD1 5.50 (# 2496:20 Single Ambig)
&rst
ixpk= 2496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 330, 807, 791, 318,
igr2= 840, 841, 842,
&end
#
# 0 AMB 20-2:2505 26 ALA MB 5.50 (# 2505:20 Single Ambig)
&rst
ixpk= 2505, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 876, 422, 398,
igr2= 376, 377, 378,
&end
#
# 0 AMB 20-2:2508 53 VAL MGY 4.50 (# 2508:20 Single Ambig)
&rst
ixpk= 2508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 210, 52,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:2510 6 ALA MB 5.50 (# 2510:20 Single Ambig)
&rst
ixpk= 2510, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 791, 807,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:252 39 LEU HA 4.50 (# 252:20 Single Ambig)
&rst
ixpk= 252, nxpk= 20, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 566,1450,1451,
&end
#
# 0 AMB 20-2:2526 19 VAL HB 4.50 (# 2526:20 Single Ambig)
&rst
ixpk= 2526, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 257,1194,
&end
#
# 0 AMB 20-2:2534 52 ILE HB 5.50 (# 2534:20 Single Ambig)
&rst
ixpk= 2534, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 772, 791,
&end
#
# 0 AMB 20-2:2535 35 ILE HB 5.50 (# 2535:20 Single Ambig)
&rst
ixpk= 2535, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 453, 447,
&end
#
# 0 AMB 20-2:2537 55 ILE HB 5.50 (# 2537:20 Single Ambig)
&rst
ixpk= 2537, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 807, 330,
&end
#
# 0 AMB 20-2:2539 78 LEU HB- 5.50 (# 2539:20 Single Ambig)
&rst
ixpk= 2539, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1194,1159,
igr2=1177,1178,
&end
#
# 0 AMB 20-2:254 39 LEU HA 3.50 (# 254:20 Single Ambig)
&rst
ixpk= 254, nxpk= 20, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 563, 564, 549, 550, 551, 553, 554, 555,
&end
#
# 0 AMB 20-2:2546 72 ILE QD1 5.50 (# 2546:20 Single Ambig)
&rst
ixpk= 2546, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 422,1046, 398, 876,
igr2=1085,1086,1087,
&end
#
# 0 AMB 20-2:2561 73 PRO HD- 4.50 (# 2561:20 Single Ambig)
&rst
ixpk= 2561, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1338,1339, 453,
igr2=1092,1093,
&end
#
# 0 AMB 20-2:2562 37 PRO HD- 4.50 (# 2562:20 Single Ambig)
&rst
ixpk= 2562, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 539, 502,
igr2= 530, 531,
&end
#
# 0 AMB 20-2:2566 31 PRO HD- 4.50 (# 2566:20 Single Ambig)
&rst
ixpk= 2566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 447, 453,
igr2= 438, 439,
&end
#
# 0 AMB 20-2:2586 37 PRO HA 4.50 (# 2586:20 Single Ambig)
&rst
ixpk= 2586, nxpk= 20, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531, 521, 580,
&end
#
# 32 CYS HB3 29 CYS HB3 3.80 (# 2588:20 Unique)
&rst
ixpk= 2588, nxpk= 20, iat= 456, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 0 AMB 20-2:2601 73 PRO HB- 5.50 (# 2601:20 Single Ambig)
&rst
ixpk= 2601, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1092,1093, 456,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:2613 31 PRO HB- 5.50 (# 2613:20 Single Ambig)
&rst
ixpk= 2613, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 438, 439,1345,
igr2= 444, 445,
&end
#
# 0 AMB 20-2:2619 35 ILE QG2 5.50 (# 2619:20 Single Ambig)
&rst
ixpk= 2619, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 456,1092,1093,
igr2= 506, 507, 508,
&end
#
# 0 AMB 20-2:2620 46 MET ME 6.00 (# 2620:20 Single Ambig)
&rst
ixpk= 2620, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:2621 46 MET ME 5.50 (# 2621:20 Single Ambig)
&rst
ixpk= 2621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1484,1499,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:2624 88 VAL MGY 4.50 (# 2624:20 Single Ambig)
&rst
ixpk= 2624, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1299,1345,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 0 AMB 20-2:2629 19 VAL MGX 5.50 (# 2629:20 Single Ambig)
&rst
ixpk= 2629, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 250, 251,1499,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 0 AMB 20-2:2633 75 LEU MDX 4.50 (# 2633:20 Single Ambig)
&rst
ixpk= 2633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1345,1109,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 0 AMB 20-2:2646 102 LYS HD- 4.50 (# 2646:20 Single Ambig)
&rst
ixpk= 2646, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1548,1499,
igr2=1556,1557,
&end
#
# 0 AMB 20-2:2678 72 ILE QD1 5.50 (# 2678:20 Single Ambig)
&rst
ixpk= 2678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 456,1092,1093,
igr2=1085,1086,1087,
&end
#
# 0 AMB 20-2:2682 55 ILE QG2 4.50 (# 2682:20 Single Ambig)
&rst
ixpk= 2682, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 905, 906, 320, 321, 116, 117,
igr2= 833, 834, 835,
&end
#
# 0 AMB 20-2:2686 57 VAL MGY 5.50 (# 2686:20 Single Ambig)
&rst
ixpk= 2686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 332, 333, 878, 879,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 0 AMB 20-2:2687 26 ALA MB 5.50 (# 2687:20 Single Ambig)
&rst
ixpk= 2687, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 424, 352, 353,
igr2= 376, 377, 378,
&end
#
# 0 AMB 20-2:2691 53 VAL MGY 5.50 (# 2691:20 Single Ambig)
&rst
ixpk= 2691, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 761, 762, 79, 80,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:2714 6 ALA MB 5.50 (# 2714:20 Single Ambig)
&rst
ixpk= 2714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 156, 157, 79, 80,
igr2= 92, 93, 94,
&end
#
# 0 AMB 20-2:2717 95 ALA MB 5.50 (# 2717:20 Single Ambig)
&rst
ixpk= 2717, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1392,1393,1428,1429,
igr2=1440,1441,1442,
&end
#
# 0 AMB 20-2:2734 27 PRO HD- 5.50 (# 2734:20 Single Ambig)
&rst
ixpk= 2734, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 389, 390, 850, 851,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:2739 102 LYS HA 5.50 (# 2739:20 Single Ambig)
&rst
ixpk= 2739, nxpk= 20, iat= -1,1548, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1536,1537,1572,1573,
&end
#
# 0 AMB 20-2:2745 32 CYS HB2 4.50 (# 2745:20 Single Ambig)
&rst
ixpk= 2745, nxpk= 20, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 474, 475, 425,
&end
#
# 0 AMB 20-2:2746 19 VAL HA 4.50 (# 2746:20 Single Ambig)
&rst
ixpk= 2746, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1196,1197,1202,1203, 275,
&end
#
# 0 AMB 20-2:2747 19 VAL HA 5.50 (# 2747:20 Single Ambig)
&rst
ixpk= 2747, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1199,1200,1196,1197,
&end
#
# 0 AMB 20-2:2748 52 ILE HA 4.50 (# 2748:20 Single Ambig)
&rst
ixpk= 2748, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 755, 756, 793,
&end
#
# 0 AMB 20-2:275 59 GLU HA 2.80 (# 275:20 Single Ambig)
&rst
ixpk= 275, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 893, 894, 890, 891,
&end
#
# 0 AMB 20-2:2753 103 HIS HB- 5.50 (# 2753:20 Single Ambig)
&rst
ixpk= 2753, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1199,1200,1196,1197,
igr2=1572,1573,
&end
#
# 0 AMB 20-2:2756 11 PHE HB- 5.50 (# 2756:20 Single Ambig)
&rst
ixpk= 2756, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 92, 93, 94, 831,
igr2= 156, 157,
&end
#
# 0 AMB 20-2:2757 90 PHE HB- 5.50 (# 2757:20 Single Ambig)
&rst
ixpk= 2757, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 444, 445,1095,1096,
igr2=1347,1348,
&end
#
# 0 AMB 20-2:2759 89 GLY HA- 5.50 (# 2759:20 Single Ambig)
&rst
ixpk= 2759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1=1095,1096, 444, 445,
igr2=1338,1339,
&end
#
# 0 AMB 20-2:2760 18 GLY HA- 5.50 (# 2760:20 Single Ambig)
&rst
ixpk= 2760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 711, 712, 237, 238, 752, 753,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:2763 81 GLY HA- 5.50 (# 2763:20 Single Ambig)
&rst
ixpk= 2763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1177,1178,1180,
igr2=1228,1229,
&end
#
# 0 AMB 20-2:2777 31 PRO HD- 4.50 (# 2777:20 Single Ambig)
&rst
ixpk= 2777, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 444, 445,1095,1096,
igr2= 438, 439,
&end
#
# 0 AMB 20-2:2778 56 ASP HA 5.50 (# 2778:20 Single Ambig)
&rst
ixpk= 2778, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
igr1= 864, 865, 866, 868, 869, 870, 831,
&end
#
# 0 AMB 20-2:2782 95 ALA HA 5.50 (# 2782:20 Single Ambig)
&rst
ixpk= 2782, nxpk= 20, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1489,1490,1472,1473,
&end
#
# 0 AMB 20-2:28 38 VAL HA 2.80 (# 28:20 Single Ambig)
&rst
ixpk= 28, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 549, 550, 551, 553, 554, 555,1406,1407,
&end
#
# 0 AMB 20-2:2800 14 GLU HG- 5.50 (# 2800:20 Single Ambig)
&rst
ixpk= 2800, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 187, 188, 189, 793,
igr2= 200, 201,
&end
#
# 0 AMB 20-2:2802 92 PRO HB- 5.50 (# 2802:20 Single Ambig)
&rst
ixpk= 2802, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1440,1441,1442,1367,1368,1453,
igr2=1392,1393,
&end
#
# 0 AMB 20-2:2803 92 PRO HB- 5.50 (# 2803:20 Single Ambig)
&rst
ixpk= 2803, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1= 549, 550, 551, 553, 554, 555,1406,1407,
igr2=1392,1393,
&end
#
# 0 AMB 20-2:2806 46 MET HG- 4.50 (# 2806:20 Single Ambig)
&rst
ixpk= 2806, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 733, 734,1450,1451,1504,
igr2= 678, 679,
&end
#
# 0 AMB 20-2:2813 41 GLU HB- 5.50 (# 2813:20 Single Ambig)
&rst
ixpk= 2813, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr1=1406,1407, 549, 550, 551, 553, 554, 555,
igr2= 597, 598,
&end
#
# 0 AMB 20-2:2820 74 THR MG2 4.50 (# 2820:20 Single Ambig)
&rst
ixpk= 2820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
igr1=1142,1143, 965, 966, 967,
igr2=1111,1112,1113,
&end
#
# 0 AMB 20-2:2834 26 ALA MB 5.50 (# 2834:20 Single Ambig)
&rst
ixpk= 2834, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 386, 387, 389, 390,
igr2= 376, 377, 378,
&end
#
# 0 AMB 20-2:2835 26 ALA MB 5.50 (# 2835:20 Single Ambig)
&rst
ixpk= 2835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 386, 387,1076,
igr2= 376, 377, 378,
&end
#
# 0 AMB 20-2:2840 53 VAL MGY 2.80 (# 2840:20 Single Ambig)
&rst
ixpk= 2840, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 755, 756, 310, 311, 312,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 0 AMB 20-2:2845 91 LYS HB- 4.50 (# 2845:20 Single Ambig)
&rst
ixpk= 2845, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 513, 514, 515,1128,1129,1130,1132,1133,1134,
igr2=1367,1368,
&end
#
# 0 AMB 20-2:2853 14 GLU HG- 4.50 (# 2853:20 Single Ambig)
&rst
ixpk= 2853, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 200, 201,
&end
#
# 0 AMB 20-2:2863 38 VAL HB 4.50 (# 2863:20 Single Ambig)
&rst
ixpk= 2863, nxpk= 20, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1455,1456,1457,1459,1460,1461, 568, 569, 570, 572,
573, 574,
&end
#
# 0 AMB 20-2:2870 73 PRO HB- 4.50 (# 2870:20 Single Ambig)
&rst
ixpk= 2870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1128,1129,1130,1132,1133,1134, 513, 514, 515,
igr2=1098,1099,
&end
#
# 0 AMB 20-2:2881 93 LYS HE- 5.50 (# 2881:20 Single Ambig)
&rst
ixpk= 2881, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2=1412,1413,
&end
#
# 0 AMB 20-2:2885 64 ALA HA 5.50 (# 2885:20 Single Ambig)
&rst
ixpk= 2885, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 864, 865, 866, 868, 869, 870, 985, 986,
&end
#
# 0 AMB 20-2:2893 18 GLY HA- 5.50 (# 2893:20 Single Ambig)
&rst
ixpk= 2893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
igr1= 277, 278, 279, 281, 282, 283, 261, 262, 263, 265,
266, 267,
igr2= 250, 251,
&end
#
# 0 AMB 20-2:2899 89 GLY HA- 5.50 (# 2899:20 Single Ambig)
&rst
ixpk= 2899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
igr1=1326,1327,1328,1330,1331,1332,1128,1129,1130,1132,
1133,1134, 513, 514, 515,
igr2=1338,1339,
&end
#
# 0 AMB 20-2:2901 78 LEU HA 4.50 (# 2901:20 Single Ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1,1175, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,1254,1255,1256,1258,
1259,1260,
&end
#
# 0 AMB 20-2:2903 52 ILE HA 5.50 (# 2903:20 Single Ambig)
&rst
ixpk= 2903, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 20-2:2904 52 ILE HA 3.50 (# 2904:20 Single Ambig)
&rst
ixpk= 2904, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 277, 278, 279, 281, 282, 283, 296, 297, 298, 300,
301, 302, 568, 569, 570, 572, 573, 574,
&end
#
# 0 AMB 20-2:2905 52 ILE HA 5.50 (# 2905:20 Single Ambig)
&rst
ixpk= 2905, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 291, 292, 755, 756,
&end
#
# 0 AMB 20-2:2908 75 LEU HA 5.50 (# 2908:20 Single Ambig)
&rst
ixpk= 2908, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:2909 75 LEU HA 5.50 (# 2909:20 Single Ambig)
&rst
ixpk= 2909, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1111,1112,1113,1301,1302,1303,
&end
#
# 0 AMB 20-2:2910 75 LEU HA 5.50 (# 2910:20 Single Ambig)
&rst
ixpk= 2910, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
igr1= 310, 311, 312, 291, 292, 812, 813,1367,1368,
&end
#
# 0 AMB 20-2:292 64 ALA HA 4.50 (# 292:20 Single Ambig)
&rst
ixpk= 292, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1028, 971,
&end
#
# 0 AMB 20-2:2923 51 LYS HA 5.50 (# 2923:20 Single Ambig)
&rst
ixpk= 2923, nxpk= 20, iat= -1, 750, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 758, 759, 35,
&end
#
# 0 AMB 20-2:2935 36 ALA MB 5.50 (# 2935:20 Single Ambig)
&rst
ixpk= 2935, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 585, 586, 536, 537,
igr2= 523, 524, 525,
&end
#
# 0 AMB 20-2:294 64 ALA HA 4.50 (# 294:20 Single Ambig)
&rst
ixpk= 294, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1008,1017, 338, 342, 336, 344,
&end
#
# 0 AMB 20-2:2941 26 ALA MB 5.50 (# 2941:20 Single Ambig)
&rst
ixpk= 2941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 367, 363,
igr2= 376, 377, 378,
&end
#
# 0 AMB 20-2:2944 72 ILE QD1 5.50 (# 2944:20 Single Ambig)
&rst
ixpk= 2944, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 330, 318,
igr2=1085,1086,1087,
&end
#
# 0 AMB 20-2:2945 46 MET ME 5.50 (# 2945:20 Single Ambig)
&rst
ixpk= 2945, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1516, 729,
igr2= 682, 683, 684,
&end
#
# 0 AMB 20-2:306 13 ALA HA 2.80 (# 306:20 Single Ambig)
&rst
ixpk= 306, nxpk= 20, iat= -1, 185, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 183, 193,
&end
#
# 0 AMB 20-2:323 50 LEU HA 2.80 (# 323:20 Single Ambig)
&rst
ixpk= 323, nxpk= 20, iat= -1, 731, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 738, 739, 740, 742, 743, 744, 261, 262, 263, 265,
266, 267,
&end
#
# 0 AMB 20-2:328 91 LYS HA 2.80 (# 328:20 Single Ambig)
&rst
ixpk= 328, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1=1367,1368,1440,1441,1442,
&end
#
# 0 AMB 20-2:329 91 LYS HA 2.80 (# 329:20 Single Ambig)
&rst
ixpk= 329, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1370,1371,1367,1368,
&end
#
# 0 AMB 20-2:33 37 PRO HA 2.80 (# 33:20 Single Ambig)
&rst
ixpk= 33, nxpk= 20, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 536, 537, 585, 586,
&end
#
# 0 AMB 20-2:34 37 PRO HA 3.50 (# 34:20 Single Ambig)
&rst
ixpk= 34, nxpk= 20, iat= -1, 539, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 585, 586, 600, 601,
&end
#
# 0 AMB 20-2:350 27 PRO HD- 3.50 (# 350:20 Single Ambig)
&rst
ixpk= 350, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 386, 387, 389, 390,
igr2= 383, 384,
&end
#
# 0 AMB 20-2:356 73 PRO HD- 2.80 (# 356:20 Single Ambig)
&rst
ixpk= 356, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 444, 445,1095,1096,
igr2=1092,1093,
&end
#
# 0 AMB 20-2:378 92 PRO HD- 2.80 (# 378:20 Single Ambig)
&rst
ixpk= 378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1=1440,1441,1442,1367,1368,
igr2=1386,1387,
&end
#
# 0 AMB 20-2:379 92 PRO HD- 4.50 (# 379:20 Single Ambig)
&rst
ixpk= 379, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1370,1371,1367,1368,
igr2=1386,1387,
&end
#
# 0 AMB 20-2:384 47 GLY HA- 3.50 (# 384:20 Single Ambig)
&rst
ixpk= 384, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 695, 671,
igr2= 690, 691,
&end
#
# 0 AMB 20-2:395 50 LEU HB- 4.50 (# 395:20 Single Ambig)
&rst
ixpk= 395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 675, 676, 259,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:398 50 LEU HB- 2.80 (# 398:20 Single Ambig)
&rst
ixpk= 398, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 738, 739, 740, 742, 743, 744, 738, 739, 740, 742,
743, 744,
igr2= 733, 734,
&end
#
# 0 AMB 20-2:406 81 GLY HA- 3.50 (# 406:20 Single Ambig)
&rst
ixpk= 406, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 224, 226, 227,
igr2=1228,1229,
&end
#
# 0 AMB 20-2:415 21 LEU HB- 2.80 (# 415:20 Single Ambig)
&rst
ixpk= 415, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 738, 739, 740, 742, 743, 744, 776, 777, 778, 261,
262, 263, 265, 266, 267,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:416 21 LEU HB- 2.80 (# 416:20 Single Ambig)
&rst
ixpk= 416, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 296, 297, 298, 300, 301, 302,1163,1164,1165,1167,
1168,1169, 617, 618, 619, 621, 622, 623,
igr2= 291, 292,
&end
#
# 0 AMB 20-2:431 76 LEU HB- 2.80 (# 431:20 Single Ambig)
&rst
ixpk= 431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 310, 311, 312,1254,1255,1256,1258,1259,1260,
igr2=1142,1143,
&end
#
# 0 AMB 20-2:432 76 LEU HB- 3.50 (# 432:20 Single Ambig)
&rst
ixpk= 432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
1259,1260,
igr2=1142,1143,
&end
#
# 0 AMB 20-2:433 76 LEU HB- 2.80 (# 433:20 Single Ambig)
&rst
ixpk= 433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1182,1183,1184,1186,1187,1188,1145,
igr2=1142,1143,
&end
#
# 0 AMB 20-2:44 31 PRO HA 4.50 (# 44:20 Single Ambig)
&rst
ixpk= 44, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 490, 491, 441, 442,
&end
#
# 72 ILE QD1 29 CYS HB3 4.20 (# 441:20 Unique)
&rst
ixpk= 441, nxpk= 20, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1=1085,1086,1087,
&end
#
# 72 ILE QD1 29 CYS HB2 4.00 (# 443:20 Unique)
&rst
ixpk= 443, nxpk= 20, iat= -1, 424, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1085,1086,1087,
&end
#
# 0 AMB 20-2:445 78 LEU HB- 2.80 (# 445:20 Single Ambig)
&rst
ixpk= 445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1182,1183,1184,1186,1187,1188,1182,1183,1184,1186,
1187,1188,
igr2=1177,1178,
&end
#
# 0 AMB 20-2:483 43 ASP HB- 2.80 (# 483:20 Single Ambig)
&rst
ixpk= 483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 783, 784, 785, 41, 42,
igr2= 631, 632,
&end
#
# 0 AMB 20-2:506 5 LYS HE- 2.80 (# 506:20 Single Ambig)
&rst
ixpk= 506, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 73, 74, 815, 816, 104, 105, 106,
igr2= 79, 80,
&end
#
# 0 AMB 20-2:51 31 PRO HA 3.50 (# 51:20 Single Ambig)
&rst
ixpk= 51, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 444, 445, 468, 469,
&end
#
# 0 AMB 20-2:514 51 LYS HE- 4.50 (# 514:20 Single Ambig)
&rst
ixpk= 514, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 761, 762,
&end
#
# 0 AMB 20-2:534 96 LEU HB- 3.50 (# 534:20 Single Ambig)
&rst
ixpk= 534, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2=1450,1451,
&end
#
# 0 AMB 20-2:535 96 LEU HB- 2.80 (# 535:20 Single Ambig)
&rst
ixpk= 535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1450,1451,
&end
#
# 0 AMB 20-2:54 83 VAL HA 4.50 (# 54:20 Single Ambig)
&rst
ixpk= 54, nxpk= 20, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1280,1233,
&end
#
# 0 AMB 20-2:574 39 LEU HB- 3.50 (# 574:20 Single Ambig)
&rst
ixpk= 574, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 566, 774,
igr2= 563, 564,
&end
#
# 0 AMB 20-2:575 39 LEU HB- 2.80 (# 575:20 Single Ambig)
&rst
ixpk= 575, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 568, 569, 570, 572, 573, 574, 568, 569, 570, 572,
573, 574,
igr2= 563, 564,
&end
#
# 0 AMB 20-2:582 23 ASP HB- 3.50 (# 582:20 Single Ambig)
&rst
ixpk= 582, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 807, 318,
igr2= 320, 321,
&end
#
# 0 AMB 20-2:59 83 VAL HA 3.50 (# 59:20 Single Ambig)
&rst
ixpk= 59, nxpk= 20, iat= -1,1250, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1182,1183,1184,1186,1187,1188,1163,1164,1165,1167,
1168,1169,
&end
#
# 0 AMB 20-2:6 86 THR HB 4.50 (# 6:20 Single Ambig)
&rst
ixpk= 6, nxpk= 20, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1147,1148,1149,1151,1152,1153,1254,1255,1256,1258,
1259,1260,
&end
#
# 0 AMB 20-2:627 52 ILE HB 2.80 (# 627:20 Single Ambig)
&rst
ixpk= 627, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 770, 50, 789,
&end
#
# 0 AMB 20-2:630 52 ILE HB 2.80 (# 630:20 Single Ambig)
&rst
ixpk= 630, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 41, 42, 776, 777, 778, 783, 784, 785,
&end
#
# 0 AMB 20-2:634 24 PHE HB- 4.50 (# 634:20 Single Ambig)
&rst
ixpk= 634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 330, 318,
igr2= 332, 333,
&end
#
# 0 AMB 20-2:642 67 TYR HB- 2.80 (# 642:20 Single Ambig)
&rst
ixpk= 642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1008,1017,1000,
igr2=1004,1005,
&end
#
# 0 AMB 20-2:683 91 LYS HB- 3.50 (# 683:20 Single Ambig)
&rst
ixpk= 683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1=1455,1456,1457,1459,1460,1461,1455,1456,1457,1459,
1460,1461,
igr2=1367,1368,
&end
#
# 0 AMB 20-2:702 20 VAL HB 2.80 (# 702:20 Single Ambig)
&rst
ixpk= 702, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
1187,1188,
&end
#
# 0 AMB 20-2:711 79 LYS HB- 3.50 (# 711:20 Single Ambig)
&rst
ixpk= 711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1194, 257,
igr2=1196,1197,
&end
#
# 0 AMB 20-2:723 4 VAL HB 2.80 (# 723:20 Single Ambig)
&rst
ixpk= 723, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 50, 805,
&end
#
# 0 AMB 20-2:727 4 VAL HB 2.80 (# 727:20 Single Ambig)
&rst
ixpk= 727, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 56, 57, 58, 60, 61, 62, 56, 57, 58, 60,
61, 62,
&end
#
# 0 AMB 20-2:728 4 VAL HB 3.50 (# 728:20 Single Ambig)
&rst
ixpk= 728, nxpk= 20, iat= -1, 54, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 20-2:74 87 SER HB- 4.50 (# 74:20 Single Ambig)
&rst
ixpk= 74, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1123,1124,1373,1374,
igr2=1313,1314,
&end
#
# 0 AMB 20-2:766 53 VAL HB 3.50 (# 766:20 Single Ambig)
&rst
ixpk= 766, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 791, 772, 807,
&end
#
# 0 AMB 20-2:767 53 VAL HB 3.50 (# 767:20 Single Ambig)
&rst
ixpk= 767, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 310, 311, 312, 755, 756, 831,
&end
#
# 0 AMB 20-2:768 53 VAL HB 3.50 (# 768:20 Single Ambig)
&rst
ixpk= 768, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 277, 278, 279, 281, 282, 283,1182,1183,1184,1186,
1187,1188,
&end
#
# 0 AMB 20-2:769 53 VAL HB 2.80 (# 769:20 Single Ambig)
&rst
ixpk= 769, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
&end
#
# 0 AMB 20-2:778 97 GLN HG- 3.50 (# 778:20 Single Ambig)
&rst
ixpk= 778, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 617, 618, 619, 621, 622, 623, 617, 618, 619, 621,
622, 623,
igr2=1472,1473,
&end
#
# 0 AMB 20-2:780 85 GLU HG- 2.80 (# 780:20 Single Ambig)
&rst
ixpk= 780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1=1556,1557,1161,1501,1502,1550,1551,
igr2=1287,1288,
&end
#
# 0 AMB 20-2:867 66 LYS HB- 4.50 (# 867:20 Single Ambig)
&rst
ixpk= 867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1000,1008,1017,
igr2= 982, 983,
&end
#
# 0 AMB 20-2:906 102 LYS HB- 3.50 (# 906:20 Single Ambig)
&rst
ixpk= 906, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1548,1499,
igr2=1550,1551,
&end
#
# 0 AMB 20-2:949 83 VAL HB 2.80 (# 949:20 Single Ambig)
&rst
ixpk= 949, nxpk= 20, iat= -1,1252, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1254,1255,1256,1258,1259,1260,1147,1148,1149,1151,
1152,1153,
&end
#
# 0 AMB 20-2:95 32 CYS HA 3.50 (# 95:20 Single Ambig)
&rst
ixpk= 95, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 456,1092,1093,
&end
#
# 0 AMB 20-2:954 19 VAL HB 2.80 (# 954:20 Single Ambig)
&rst
ixpk= 954, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 261, 262, 263, 265, 266, 267,1522,1523,1524,1526,
1527,1528,
&end
#
# 0 AMB 20-2:955 19 VAL HB 2.80 (# 955:20 Single Ambig)
&rst
ixpk= 955, nxpk= 20, iat= -1, 259, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 261, 262, 263, 265, 266, 267, 738, 739, 740, 742,
743, 744, 738, 739, 740, 742, 743, 744,
&end
#
# 0 AMB 20-2:96 32 CYS HA 3.50 (# 96:20 Single Ambig)
&rst
ixpk= 96, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1095,1096, 444, 445,
&end
#
# 0 AMB 20-2:99 35 ILE HA 3.50 (# 99:20 Single Ambig)
&rst
ixpk= 99, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1353,1357, 519,
&end
#
# 0 AMB 20-2:992 14 GLU HB- 3.50 (# 992:20 Single Ambig)
&rst
ixpk= 992, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 795, 796, 797, 799, 800, 801, 795, 796, 797, 799,
800, 801,
igr2= 197, 198,
&end
#
# 10 SER HB+ 10 SER HN 3.50 (# 693:10 Unique 2.69, 3.30 A)
&rst
ixpk= 693, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 145, 146,
&end
#
# 10 SER HB+ 14 GLU HG+ 4.50 (# 2551:20 Unique 2.90, 4.22 A)
&rst
ixpk= 2551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 145, 146,
igr2= 200, 201,
&end
#
# 10 SER HB+ 14 GLU HN 5.50 (# 724:10 Unique 4.14, 4.76 A)
&rst
ixpk= 724, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 146,
&end
#
# 10 SER HB+ 7 THR HN 4.50 (# 673:10 Unique 3.07, 4.10 A)
&rst
ixpk= 673, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 145, 146,
&end
#
# 10 SER HB- 10 SER HN 2.80 (# 525:10 Unique 2.69, 3.30 A)
&rst
ixpk= 525, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 145, 146,
&end
#
# 10 SER HB- 11 PHE HN 4.50 (# 704:10 Unique 3.34, 3.94 A)
&rst
ixpk= 704, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 145, 146,
&end
#
# 10 SER HB- 14 GLU HG+ 5.50 (# 2602:20 Unique 2.90, 4.22 A)
&rst
ixpk= 2602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 145, 146,
igr2= 200, 201,
&end
#
# 10 SER HB- 7 THR HN 5.50 (# 672:10 Unique 3.07, 4.10 A)
&rst
ixpk= 672, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 145, 146,
&end
#
# 11 PHE HA 10 SER HN 5.50 (# 691:10 Unique 4.34, 4.46 A)
&rst
ixpk= 691, nxpk= 10, iat= 154, 141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HB+ 10 SER HN 5.50 (# 697:10 Unique 3.92, 4.14 A)
&rst
ixpk= 697, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HB- 10 SER HN 5.50 (# 696:10 Unique 3.92, 4.14 A)
&rst
ixpk= 696, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HN 10 SER HN 2.80 (# 522:10 Unique 1.87, 1.96 A)
&rst
ixpk= 522, nxpk= 10, iat= 152, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 10 SER HN 7 THR HN 3.50 (# 619:10 Unique 2.79, 3.15 A)
&rst
ixpk= 619, nxpk= 10, iat= 141, 98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 10 SER HN 8 ASP HN 5.50 (# 682:10 Unique 4.45, 4.53 A)
&rst
ixpk= 682, nxpk= 10, iat= 141, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 9 GLN HA 10 SER HN 3.50 (# 692:10 Unique 3.51, 3.54 A)
&rst
ixpk= 692, nxpk= 10, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 GLN HB+ 10 SER HN 2.80 (# 521:10 Unique 2.76, 3.36 A)
&rst
ixpk= 521, nxpk= 10, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 128, 129,
&end
#
# 9 GLN HN 10 SER HN 2.80 (# 523:10 Unique 2.68, 2.75 A)
&rst
ixpk= 523, nxpk= 10, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HA 100 VAL HB 3.50 (# 896:20 Unique 3.02, 3.04 A)
&rst
ixpk= 896, nxpk= 20, iat=1518,1520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 VAL HA 100 VAL HN 2.80 (# 575:10 Unique 2.79, 2.83 A)
&rst
ixpk= 575, nxpk= 10, iat=1518,1516, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HA 100 VAL MGX 2.80 (# 1399:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1399, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 100 VAL HA 100 VAL MGY 2.80 (# 1478:20 Unique 2.42, 3.16 A)
&rst
ixpk= 1478, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 100 VAL HA 101 ASN HN 3.50 (# 972:10 Unique 3.52, 3.56 A)
&rst
ixpk= 972, nxpk= 10, iat=1518,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 100 VAL HA 102 LYS HN 5.50 (# 1251:10 Unique 3.69, 4.13 A)
&rst
ixpk= 1251, nxpk= 10, iat=1518,1546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 103 HIS HB+ 100 VAL HA 5.50 (# 2077:20 Unique 2.97, 4.68 A)
&rst
ixpk= 2077, nxpk= 20, iat= -1,1518, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1572,1573,
&end
#
# 103 HIS HD2 100 VAL HA 4.50 (# 38:20 Unique 2.47, 3.77 A)
&rst
ixpk= 38, nxpk= 20, iat=1581,1518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 VAL HA 103 HIS HN 5.50 (# 1261:10 Unique 3.58, 3.85 A)
&rst
ixpk= 1261, nxpk= 10, iat=1518,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 VAL HA 46 MET ME 5.50 (# 1785:20 Unique 5.18, 7.68 A)
&rst
ixpk= 1785, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 682, 683, 684,
&end
#
# 100 VAL HA 77 VAL MGY 4.50 (# 1517:20 Unique 3.51, 4.93 A)
&rst
ixpk= 1517, nxpk= 20, iat=1518, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 100 VAL HA 99 LEU HN 5.50 (# 1242:10 Unique 5.17, 5.22 A)
&rst
ixpk= 1242, nxpk= 10, iat=1518,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 VAL HB 100 VAL HN 2.80 (# 576:10 Unique 2.33, 2.54 A)
&rst
ixpk= 576, nxpk= 10, iat=1520,1516, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL MGX 100 VAL HB 2.80 (# 895:20 Unique 2.27, 2.66 A)
&rst
ixpk= 895, nxpk= 20, iat= -1,1520, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1522,1523,1524,1526,1527,1528,
&end
#
# 97 GLN HA 100 VAL HB 4.50 (# 897:20 Unique 2.39, 2.82 A)
&rst
ixpk= 897, nxpk= 20, iat=1467,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 VAL MGY 100 VAL HN 2.80 (# 579:10 Unique 2.10, 3.76 A)
&rst
ixpk= 579, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1522,1523,1524,1526,1527,1528,
&end
#
# 101 ASN HN 100 VAL HN 2.80 (# 572:10 Unique 2.59, 2.75 A)
&rst
ixpk= 572, nxpk= 10, iat=1532,1516, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 100 VAL HN 102 LYS HN 5.50 (# 1249:10 Unique 4.11, 4.28 A)
&rst
ixpk= 1249, nxpk= 10, iat=1516,1546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HA 100 VAL HN 3.50 (# 1245:10 Unique 3.05, 3.34 A)
&rst
ixpk= 1245, nxpk= 10, iat=1467,1516, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 GLN HN 100 VAL HN 5.50 (# 573:10 Unique 4.68, 4.78 A)
&rst
ixpk= 573, nxpk= 10, iat=1465,1516, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 100 VAL HN 99 LEU HA 4.50 (# 2361:20 Unique 3.50, 3.65 A)
&rst
ixpk= 2361, nxpk= 20, iat=1516,1499, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU HB+ 100 VAL HN 2.80 (# 578:10 Unique 2.46, 3.45 A)
&rst
ixpk= 578, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1501,1502,
&end
#
# 99 LEU HB- 100 VAL HN 3.50 (# 577:10 Unique 2.46, 3.45 A)
&rst
ixpk= 577, nxpk= 10, iat= -1,1516, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1501,1502,
&end
#
# 99 LEU HG 100 VAL HN 4.50 (# 1248:10 Unique 2.43, 2.94 A)
&rst
ixpk= 1248, nxpk= 10, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 100 VAL HN 99 LEU HN 2.80 (# 385:10 Unique 2.56, 2.65 A)
&rst
ixpk= 385, nxpk= 10, iat=1516,1497, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 ASN HA 100 VAL MGX 5.50 (# 1398:20 Unique 3.16, 5.70 A)
&rst
ixpk= 1398, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 101 ASN HN 100 VAL MGX 4.50 (# 1397:20 Unique 3.30, 4.63 A)
&rst
ixpk= 1397, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 100 VAL MGX 102 LYS HN 5.50 (# 1254:10 Unique 5.24, 6.34 A)
&rst
ixpk= 1254, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1522,1523,1524,1526,1527,1528,
&end
#
# 104 LEU HG 100 VAL MGX 3.50 (# 1401:20 Unique 2.16, 4.59 A)
&rst
ixpk= 1401, nxpk= 20, iat=1592, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 97 GLN HA 100 VAL MGX 5.50 (# 2631:20 Unique 2.91, 4.53 A)
&rst
ixpk= 2631, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 101 ASN HA 100 VAL MGY 5.50 (# 2627:20 Unique 3.16, 5.70 A)
&rst
ixpk= 2627, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 100 VAL MGY 101 ASN HN 3.50 (# 353:10 Unique 3.30, 4.63 A)
&rst
ixpk= 353, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1522,1523,1524,1526,1527,1528,
&end
#
# 104 LEU HG 100 VAL MGY 3.50 (# 1481:20 Unique 2.16, 4.59 A)
&rst
ixpk= 1481, nxpk= 20, iat=1592, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 100 VAL MGY 42 LEU MDY 3.50 (# 1259:20 Unique 2.28, 5.15 A)
&rst
ixpk= 1259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1522,1523,1524,1526,1527,1528,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 97 GLN HA 100 VAL MGY 2.80 (# 1479:20 Unique 2.91, 4.53 A)
&rst
ixpk= 1479, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1522,1523,1524,1526,1527,1528,
&end
#
# 100 VAL MGY 99 LEU HN 4.50 (# 1234:10 Unique 4.36, 6.19 A)
&rst
ixpk= 1234, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1522,1523,1524,1526,1527,1528,
&end
#
# 101 ASN HA 101 ASN HB+ 2.80 (# 660:20 Unique 2.26, 2.81 A)
&rst
ixpk= 660, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1536,1537,
&end
#
# 101 ASN HA 101 ASN HB- 3.50 (# 653:20 Unique 2.26, 2.81 A)
&rst
ixpk= 653, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1536,1537,
&end
#
# 101 ASN HA 101 ASN HD2+ 5.50 (# 1277:10 Unique 3.33, 3.93 A)
&rst
ixpk= 1277, nxpk= 10, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1541,1542,
&end
#
# 101 ASN HA 101 ASN HD2- 5.50 (# 1281:10 Unique 3.33, 3.93 A)
&rst
ixpk= 1281, nxpk= 10, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1541,1542,
&end
#
# 101 ASN HA 101 ASN HN 2.80 (# 348:10 Unique 2.78, 2.83 A)
&rst
ixpk= 348, nxpk= 10, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 101 ASN HA 102 LYS HN 4.50 (# 1252:10 Unique 3.37, 3.53 A)
&rst
ixpk= 1252, nxpk= 10, iat=1534,1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ASN HA 103 HIS HN 4.50 (# 1264:10 Unique 3.37, 3.62 A)
&rst
ixpk= 1264, nxpk= 10, iat=1534,1568, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 104 LEU HB+ 101 ASN HA 3.50 (# 290:20 Unique 2.08, 3.44 A)
&rst
ixpk= 290, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1589,1590,
&end
#
# 101 ASN HA 104 LEU HB- 4.50 (# 2538:20 Unique 2.08, 3.44 A)
&rst
ixpk= 2538, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1589,1590,
&end
#
# 104 LEU HG 101 ASN HA 3.50 (# 289:20 Unique 2.18, 2.84 A)
&rst
ixpk= 289, nxpk= 20, iat=1592,1534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 101 ASN HA 104 LEU HN 3.50 (# 1266:10 Unique 2.69, 3.02 A)
&rst
ixpk= 1266, nxpk= 10, iat=1534,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 104 LEU MDY 101 ASN HA 2.80 (# 291:20 Unique 2.23, 4.36 A)
&rst
ixpk= 291, nxpk= 20, iat= -1,1534, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1594,1595,1596,1598,1599,1600,
&end
#
# 101 ASN HA 46 MET ME 4.50 (# 1753:20 Unique 3.95, 6.00 A)
&rst
ixpk= 1753, nxpk= 20, iat=1534, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 682, 683, 684,
&end
#
# 101 ASN HB+ 101 ASN HD2+ 3.50 (# 1272:10 Unique 2.15, 3.36 A)
&rst
ixpk= 1272, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1536,1537,
igr2=1541,1542,
&end
#
# 101 ASN HB+ 101 ASN HD2- 4.50 (# 1283:10 Unique 2.15, 3.36 A)
&rst
ixpk= 1283, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1536,1537,
igr2=1541,1542,
&end
#
# 101 ASN HB+ 101 ASN HN 2.80 (# 351:10 Unique 2.14, 2.93 A)
&rst
ixpk= 351, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1536,1537,
&end
#
# 101 ASN HB+ 102 LYS HN 3.50 (# 1253:10 Unique 2.67, 3.55 A)
&rst
ixpk= 1253, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1536,1537,
&end
#
# 101 ASN HB+ 98 GLU HA 3.50 (# 2153:20 Unique 2.20, 3.13 A)
&rst
ixpk= 2153, nxpk= 20, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1536,1537,
&end
#
# 101 ASN HB- 101 ASN HD2+ 2.80 (# 616:10 Unique 2.15, 3.36 A)
&rst
ixpk= 616, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1536,1537,
igr2=1541,1542,
&end
#
# 101 ASN HB- 101 ASN HD2- 3.50 (# 1282:10 Unique 2.15, 3.36 A)
&rst
ixpk= 1282, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1536,1537,
igr2=1541,1542,
&end
#
# 101 ASN HB- 101 ASN HN 2.80 (# 350:10 Unique 2.14, 2.93 A)
&rst
ixpk= 350, nxpk= 10, iat= -1,1532, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1536,1537,
&end
#
# 101 ASN HB- 46 MET ME 3.50 (# 1764:20 Unique 2.90, 6.08 A)
&rst
ixpk= 1764, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1536,1537,
igr2= 682, 683, 684,
&end
#
# 98 GLU HA 101 ASN HB- 3.50 (# 657:20 Unique 2.20, 3.13 A)
&rst
ixpk= 657, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1536,1537,
&end
#
# 101 ASN HN 101 ASN HD2+ 5.50 (# 1278:10 Unique 2.40, 3.57 A)
&rst
ixpk= 1278, nxpk= 10, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1541,1542,
&end
#
# 101 ASN HD2+ 46 MET ME 4.50 (# 1750:20 Unique 2.12, 3.60 A)
&rst
ixpk= 1750, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1541,1542,
igr2= 682, 683, 684,
&end
#
# 97 GLN HG+ 101 ASN HD2+ 5.50 (# 1275:10 Unique 2.68, 5.71 A)
&rst
ixpk= 1275, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1472,1473,
igr2=1541,1542,
&end
#
# 98 GLU HA 101 ASN HD2+ 4.50 (# 1273:10 Unique 2.22, 3.89 A)
&rst
ixpk= 1273, nxpk= 10, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1541,1542,
&end
#
# 101 ASN HN 101 ASN HD2- 5.50 (# 1279:10 Unique 2.40, 3.57 A)
&rst
ixpk= 1279, nxpk= 10, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1541,1542,
&end
#
# 101 ASN HD2- 46 MET ME 5.50 (# 1751:20 Unique 2.12, 3.60 A)
&rst
ixpk= 1751, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1541,1542,
igr2= 682, 683, 684,
&end
#
# 97 GLN HG+ 101 ASN HD2- 5.50 (# 1284:10 Unique 2.68, 5.71 A)
&rst
ixpk= 1284, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1472,1473,
igr2=1541,1542,
&end
#
# 101 ASN HD2- 97 GLN HG- 5.50 (# 2410:20 Unique 2.68, 5.71 A)
&rst
ixpk= 2410, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1541,1542,
igr2=1472,1473,
&end
#
# 98 GLU HA 101 ASN HD2- 5.50 (# 1280:10 Unique 2.22, 3.89 A)
&rst
ixpk= 1280, nxpk= 10, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1541,1542,
&end
#
# 101 ASN HN 102 LYS HN 2.80 (# 451:10 Unique 2.73, 2.83 A)
&rst
ixpk= 451, nxpk= 10, iat=1532,1546, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 103 HIS HN 101 ASN HN 5.50 (# 979:10 Unique 4.18, 4.31 A)
&rst
ixpk= 979, nxpk= 10, iat=1568,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ASN HN 46 MET ME 5.50 (# 2946:20 Unique 3.52, 5.53 A)
&rst
ixpk= 2946, nxpk= 20, iat=1532, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 682, 683, 684,
&end
#
# 97 GLN HA 101 ASN HN 5.50 (# 971:10 Unique 3.69, 3.99 A)
&rst
ixpk= 971, nxpk= 10, iat=1467,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ASN HN 98 GLU HA 4.50 (# 2151:20 Unique 3.11, 3.33 A)
&rst
ixpk= 2151, nxpk= 20, iat=1532,1484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 101 ASN HN 98 GLU HN 5.50 (# 908:10 Unique 4.53, 4.65 A)
&rst
ixpk= 908, nxpk= 10, iat=1532,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 101 ASN HN 99 LEU HN 5.50 (# 387:10 Unique 3.89, 3.98 A)
&rst
ixpk= 387, nxpk= 10, iat=1532,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LYS HA 104 LEU HN 5.50 (# 1268:10 Unique 4.06, 4.62 A)
&rst
ixpk= 1268, nxpk= 10, iat=1548,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 102 LYS HE- 102 LYS HB+ 5.50 (# 2705:20 Unique 2.08, 3.99 A)
&rst
ixpk= 2705, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1559,1560,
igr2=1550,1551,
&end
#
# 102 LYS HG- 102 LYS HB+ 2.80 (# 912:20 Unique 2.28, 2.73 A)
&rst
ixpk= 912, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1553,1554,
igr2=1550,1551,
&end
#
# 102 LYS HB+ 102 LYS HN 2.80 (# 456:10 Unique 2.41, 3.11 A)
&rst
ixpk= 456, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1550,1551,
&end
#
# 103 HIS HD2 102 LYS HB+ 5.50 (# 2296:20 Unique 2.46, 4.44 A)
&rst
ixpk= 2296, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1551,
&end
#
# 102 LYS HB+ 103 HIS HN 5.50 (# 1257:10 Unique 2.75, 4.02 A)
&rst
ixpk= 1257, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1550,1551,
&end
#
# 102 LYS HG- 102 LYS HB- 2.80 (# 908:20 Unique 2.28, 2.73 A)
&rst
ixpk= 908, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1553,1554,
igr2=1550,1551,
&end
#
# 102 LYS HN 102 LYS HB- 2.80 (# 905:20 Unique 2.41, 3.11 A)
&rst
ixpk= 905, nxpk= 20, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1550,1551,
&end
#
# 103 HIS HN 102 LYS HB- 5.50 (# 2295:20 Unique 2.75, 4.02 A)
&rst
ixpk= 2295, nxpk= 20, iat=1568, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1550,1551,
&end
#
# 102 LYS HN 102 LYS HG+ 3.50 (# 2449:20 Unique 2.16, 2.99 A)
&rst
ixpk= 2449, nxpk= 20, iat=1546, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1553,1554,
&end
#
# 99 LEU MDY 102 LYS HG+ 3.50 (# 1346:20 Unique 2.98, 5.87 A)
&rst
ixpk= 1346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1553,1554,
&end
#
# 102 LYS HG- 102 LYS HN 2.80 (# 457:10 Unique 2.16, 2.99 A)
&rst
ixpk= 457, nxpk= 10, iat= -1,1546, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1553,1554,
&end
#
# 102 LYS HG- 103 HIS HN 5.50 (# 1258:10 Unique 3.03, 4.18 A)
&rst
ixpk= 1258, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1553,1554,
&end
#
# 103 HIS HD2 102 LYS HN 4.50 (# 1250:10 Unique 3.85, 4.36 A)
&rst
ixpk= 1250, nxpk= 10, iat=1581,1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 102 LYS HN 103 HIS HN 2.80 (# 488:10 Unique 2.56, 2.72 A)
&rst
ixpk= 488, nxpk= 10, iat=1546,1568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU HN 102 LYS HN 4.50 (# 453:10 Unique 4.00, 4.20 A)
&rst
ixpk= 453, nxpk= 10, iat=1585,1546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 103 HIS HA 103 HIS HB+ 4.50 (# 938:20 Unique 2.36, 2.74 A)
&rst
ixpk= 938, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1572,1573,
&end
#
# 103 HIS HA 103 HIS HB- 3.50 (# 936:20 Unique 2.36, 2.74 A)
&rst
ixpk= 936, nxpk= 20, iat=1570, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1572,1573,
&end
#
# 103 HIS HA 103 HIS HN 3.50 (# 1265:10 Unique 2.98, 2.98 A)
&rst
ixpk= 1265, nxpk= 10, iat=1570,1568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 HIS HA 104 LEU HN 3.50 (# 1267:10 Unique 3.32, 3.44 A)
&rst
ixpk= 1267, nxpk= 10, iat=1570,1585, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 HIS HD2 103 HIS HB+ 4.50 (# 2333:20 Unique 2.53, 3.16 A)
&rst
ixpk= 2333, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1572,1573,
&end
#
# 103 HIS HB+ 103 HIS HN 2.80 (# 491:10 Unique 2.40, 3.19 A)
&rst
ixpk= 491, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1572,1573,
&end
#
# 103 HIS HB+ 104 LEU HN 3.50 (# 1270:10 Unique 2.90, 3.83 A)
&rst
ixpk= 1270, nxpk= 10, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 19 VAL MGX 103 HIS HB+ 5.50 (# 2867:20 Unique 2.43, 4.50 A)
&rst
ixpk= 2867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1572,1573,
&end
#
# 103 HIS HB+ 19 VAL MGY 4.50 (# 1591:20 Unique 2.43, 4.50 A)
&rst
ixpk= 1591, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1572,1573,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 77 VAL MGX 103 HIS HB+ 5.50 (# 2869:20 Unique 2.60, 5.43 A)
&rst
ixpk= 2869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1163,1164,1165,1167,1168,1169,
igr2=1572,1573,
&end
#
# 103 HIS HB+ 79 LYS HD+ 5.50 (# 2708:20 Unique 2.11, 3.79 A)
&rst
ixpk= 2708, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1572,1573,
igr2=1202,1203,
&end
#
# 103 HIS HB+ 84 VAL MGX 5.50 (# 2684:20 Unique 2.59, 4.88 A)
&rst
ixpk= 2684, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1572,1573,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 103 HIS HD2 103 HIS HB- 5.50 (# 2336:20 Unique 2.53, 3.16 A)
&rst
ixpk= 2336, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1572,1573,
&end
#
# 103 HIS HB- 103 HIS HN 3.50 (# 1260:10 Unique 2.40, 3.19 A)
&rst
ixpk= 1260, nxpk= 10, iat= -1,1568, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1572,1573,
&end
#
# 103 HIS HB- 104 LEU HN 4.50 (# 1269:10 Unique 2.90, 3.83 A)
&rst
ixpk= 1269, nxpk= 10, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1572,1573,
&end
#
# 19 VAL MGX 103 HIS HB- 5.50 (# 2866:20 Unique 2.43, 4.50 A)
&rst
ixpk= 2866, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1572,1573,
&end
#
# 19 VAL MGY 103 HIS HB- 5.50 (# 2865:20 Unique 2.43, 4.50 A)
&rst
ixpk= 2865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1572,1573,
&end
#
# 77 VAL MGX 103 HIS HB- 5.50 (# 2864:20 Unique 2.60, 5.43 A)
&rst
ixpk= 2864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1163,1164,1165,1167,1168,1169,
igr2=1572,1573,
&end
#
# 79 LYS HD+ 103 HIS HB- 4.50 (# 2752:20 Unique 2.11, 3.79 A)
&rst
ixpk= 2752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1202,1203,
igr2=1572,1573,
&end
#
# 103 HIS HB- 84 VAL MGX 5.50 (# 2676:20 Unique 2.59, 4.88 A)
&rst
ixpk= 2676, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1572,1573,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 103 HIS HD2 103 HIS HN 3.50 (# 489:10 Unique 3.24, 3.47 A)
&rst
ixpk= 489, nxpk= 10, iat=1581,1568, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 103 HIS HD2 77 VAL MGX 4.50 (# 1563:20 Unique 2.34, 4.34 A)
&rst
ixpk= 1563, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 103 HIS HD2 77 VAL MGY 5.50 (# 2268:20 Unique 2.34, 4.34 A)
&rst
ixpk= 2268, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 103 HIS HD2 84 VAL MGX 5.50 (# 2253:20 Unique 2.98, 5.46 A)
&rst
ixpk= 2253, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 103 HIS HD2 85 GLU HG+ 5.50 (# 2323:20 Unique 2.42, 3.93 A)
&rst
ixpk= 2323, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 103 HIS HD2 85 GLU HG- 5.50 (# 2324:20 Unique 2.42, 3.93 A)
&rst
ixpk= 2324, nxpk= 20, iat=1581, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 104 LEU HA 103 HIS HN 5.50 (# 1263:10 Unique 4.61, 4.70 A)
&rst
ixpk= 1263, nxpk= 10, iat=1587,1568, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HN 103 HIS HN 2.80 (# 490:10 Unique 2.00, 2.08 A)
&rst
ixpk= 490, nxpk= 10, iat=1585,1568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU HA 104 LEU HB+ 3.50 (# 453:20 Unique 2.46, 2.80 A)
&rst
ixpk= 453, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1589,1590,
&end
#
# 104 LEU HA 104 LEU HB- 3.50 (# 458:20 Unique 2.46, 2.80 A)
&rst
ixpk= 458, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1589,1590,
&end
#
# 104 LEU HA 104 LEU HG 5.50 (# 2638:20 Unique 2.61, 3.05 A)
&rst
ixpk= 2638, nxpk= 20, iat=1587,1592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 104 LEU HA 104 LEU HN 2.80 (# 100:10 Unique 2.81, 2.85 A)
&rst
ixpk= 100, nxpk= 10, iat=1587,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU HA 104 LEU MDY 2.80 (# 1349:20 Unique 2.09, 3.80 A)
&rst
ixpk= 1349, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 104 LEU HA 19 VAL MGX 3.50 (# 1406:20 Unique 2.24, 4.37 A)
&rst
ixpk= 1406, nxpk= 20, iat=1587, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 104 LEU HG 104 LEU HB+ 2.80 (# 454:20 Unique 2.33, 2.75 A)
&rst
ixpk= 454, nxpk= 20, iat=1592, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1589,1590,
&end
#
# 104 LEU HB+ 104 LEU HN 2.80 (# 102:10 Unique 2.24, 3.01 A)
&rst
ixpk= 102, nxpk= 10, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1589,1590,
&end
#
# 104 LEU MDY 104 LEU HB+ 2.80 (# 456:20 Unique 2.33, 3.33 A)
&rst
ixpk= 456, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1594,1595,1596,1598,1599,1600,
igr2=1589,1590,
&end
#
# 104 LEU HN 104 LEU HB- 3.50 (# 457:20 Unique 2.24, 3.01 A)
&rst
ixpk= 457, nxpk= 20, iat=1585, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1589,1590,
&end
#
# 104 LEU HB- 104 LEU MDY 2.80 (# 1352:20 Unique 2.33, 3.33 A)
&rst
ixpk= 1352, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1589,1590,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 104 LEU HG 104 LEU HN 2.80 (# 101:10 Unique 2.27, 2.58 A)
&rst
ixpk= 101, nxpk= 10, iat=1592,1585, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 104 LEU MDY 104 LEU HN 3.50 (# 103:10 Unique 3.33, 4.53 A)
&rst
ixpk= 103, nxpk= 10, iat= -1,1585, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1594,1595,1596,1598,1599,1600,
&end
#
# 104 LEU MDY 19 VAL HN 4.50 (# 760:10 Unique 4.02, 6.91 A)
&rst
ixpk= 760, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1594,1595,1596,1598,1599,1600,
&end
#
# 104 LEU MDY 46 MET ME 2.80 (# 1759:20 Unique 2.60, 6.46 A)
&rst
ixpk= 1759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1594,1595,1596,1598,1599,1600,
igr2= 682, 683, 684,
&end
#
# 104 LEU MDY 49 LYS HB+ 3.50 (# 789:20 Unique 2.21, 4.32 A)
&rst
ixpk= 789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1594,1595,1596,1598,1599,1600,
igr2= 711, 712,
&end
#
# 104 LEU MDY 49 LYS HE+ 4.50 (# 521:20 Unique 3.36, 6.69 A)
&rst
ixpk= 521, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1594,1595,1596,1598,1599,1600,
igr2= 720, 721,
&end
#
# 49 LYS HG+ 104 LEU MDY 4.50 (# 1354:20 Unique 2.29, 4.78 A)
&rst
ixpk= 1354, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 714, 715,
igr2=1594,1595,1596,1598,1599,1600,
&end
#
# 11 PHE HA 11 PHE HB+ 3.50 (# 631:20 Unique 2.43, 2.76 A)
&rst
ixpk= 631, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 156, 157,
&end
#
# 11 PHE HA 11 PHE HB- 3.50 (# 625:20 Unique 2.43, 2.76 A)
&rst
ixpk= 625, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 156, 157,
&end
#
# 11 PHE HD 11 PHE HA 3.50 (# 68:20 Unique 2.79, 3.57 A)
&rst
ixpk= 68, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 160, 168,
&end
#
# 11 PHE HA 11 PHE HN 2.80 (# 139:10 Unique 2.70, 2.74 A)
&rst
ixpk= 139, nxpk= 10, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 PHE HA 12 SER HN 4.50 (# 711:10 Unique 3.60, 3.62 A)
&rst
ixpk= 711, nxpk= 10, iat= 154, 172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 14 GLU HB+ 11 PHE HA 3.50 (# 2098:20 Unique 2.53, 3.51 A)
&rst
ixpk= 2098, nxpk= 20, iat= -1, 154, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 197, 198,
&end
#
# 11 PHE HA 14 GLU HB- 5.50 (# 2649:20 Unique 2.53, 3.51 A)
&rst
ixpk= 2649, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 197, 198,
&end
#
# 11 PHE HA 14 GLU HN 4.50 (# 721:10 Unique 3.43, 3.53 A)
&rst
ixpk= 721, nxpk= 10, iat= 154, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HA 6 ALA MB 3.50 (# 1366:20 Unique 2.35, 3.15 A)
&rst
ixpk= 1366, nxpk= 20, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 11 PHE HA 7 THR HN 5.50 (# 671:10 Unique 4.02, 4.30 A)
&rst
ixpk= 671, nxpk= 10, iat= 154, 98, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HD 11 PHE HB+ 3.50 (# 623:20 Unique 2.42, 3.08 A)
&rst
ixpk= 623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 160, 168,
igr2= 156, 157,
&end
#
# 11 PHE HB+ 11 PHE HN 2.80 (# 142:10 Unique 2.29, 2.44 A)
&rst
ixpk= 142, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 157,
&end
#
# 11 PHE HB+ 12 SER HN 3.50 (# 709:10 Unique 2.45, 3.24 A)
&rst
ixpk= 709, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 156, 157,
&end
#
# 11 PHE HB+ 55 ILE QD1 4.50 (# 2681:20 Unique 2.49, 3.87 A)
&rst
ixpk= 2681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 840, 841, 842,
&end
#
# 11 PHE HB+ 6 ALA MB 5.50 (# 1367:20 Unique 2.83, 4.59 A)
&rst
ixpk= 1367, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157,
igr2= 92, 93, 94,
&end
#
# 11 PHE HB+ 63 THR MG2 4.50 (# 2690:20 Unique 3.25, 4.21 A)
&rst
ixpk= 2690, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 156, 157,
igr2= 953, 954, 955,
&end
#
# 11 PHE HB+ 8 ASP HA 5.50 (# 2166:20 Unique 2.53, 3.02 A)
&rst
ixpk= 2166, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HD 11 PHE HB- 3.50 (# 626:20 Unique 2.42, 3.08 A)
&rst
ixpk= 626, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 160, 168,
igr2= 156, 157,
&end
#
# 11 PHE HB- 11 PHE HN 2.80 (# 140:10 Unique 2.29, 2.44 A)
&rst
ixpk= 140, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 156, 157,
&end
#
# 11 PHE HB- 12 SER HA 5.50 (# 2741:20 Unique 4.20, 5.00 A)
&rst
ixpk= 2741, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HB- 12 SER HN 3.50 (# 486:10 Unique 2.45, 3.24 A)
&rst
ixpk= 486, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 156, 157,
&end
#
# 55 ILE QD1 11 PHE HB- 5.50 (# 2874:20 Unique 2.49, 3.87 A)
&rst
ixpk= 2874, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 840, 841, 842,
igr2= 156, 157,
&end
#
# 11 PHE HB- 63 THR MG2 5.50 (# 2689:20 Unique 3.25, 4.21 A)
&rst
ixpk= 2689, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 156, 157,
igr2= 953, 954, 955,
&end
#
# 11 PHE HB- 8 ASP HA 5.50 (# 2167:20 Unique 2.53, 3.02 A)
&rst
ixpk= 2167, nxpk= 20, iat= -1, 114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 156, 157,
&end
#
# 11 PHE HD 11 PHE HN 4.50 (# 701:10 Unique 4.34, 4.66 A)
&rst
ixpk= 701, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 168,
&end
#
# 11 PHE HD 12 SER HA 4.50 (# 108:20 Unique 3.10, 4.89 A)
&rst
ixpk= 108, nxpk= 20, iat= -1, 174, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 160, 168,
&end
#
# 11 PHE HD 12 SER HN 3.50 (# 713:10 Unique 3.11, 4.52 A)
&rst
ixpk= 713, nxpk= 10, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 160, 168,
&end
#
# 11 PHE HD 15 THR MG2 4.50 (# 1681:20 Unique 3.66, 4.76 A)
&rst
ixpk= 1681, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 168,
igr2= 214, 215, 216,
&end
#
# 11 PHE HD 53 VAL MGX 4.50 (# 1445:20 Unique 2.57, 5.99 A)
&rst
ixpk= 1445, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 160, 168,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 11 PHE HD 55 ILE HB 5.50 (# 2425:20 Unique 2.93, 5.04 A)
&rst
ixpk= 2425, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 160, 168,
&end
#
# 11 PHE HD 55 ILE QD1 3.50 (# 1851:20 Unique 2.34, 4.35 A)
&rst
ixpk= 1851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 168,
igr2= 840, 841, 842,
&end
#
# 11 PHE HD 55 ILE QG2 4.50 (# 1827:20 Unique 2.94, 5.66 A)
&rst
ixpk= 1827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 160, 168,
igr2= 833, 834, 835,
&end
#
# 11 PHE HD 6 ALA MB 3.50 (# 1371:20 Unique 2.36, 5.02 A)
&rst
ixpk= 1371, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 168,
igr2= 92, 93, 94,
&end
#
# 11 PHE HD 63 THR MG2 3.50 (# 1566:20 Unique 3.16, 4.33 A)
&rst
ixpk= 1566, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 160, 168,
igr2= 953, 954, 955,
&end
#
# 11 PHE HN 12 SER HN 3.50 (# 714:10 Unique 2.94, 3.04 A)
&rst
ixpk= 714, nxpk= 10, iat= 152, 172, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 PHE HN 14 GLU HN 5.50 (# 726:10 Unique 4.79, 4.88 A)
&rst
ixpk= 726, nxpk= 10, iat= 152, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE QD1 11 PHE HN 5.50 (# 706:10 Unique 4.40, 5.29 A)
&rst
ixpk= 706, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 840, 841, 842,
&end
#
# 6 ALA MB 11 PHE HN 4.50 (# 705:10 Unique 3.07, 4.39 A)
&rst
ixpk= 705, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 92, 93, 94,
&end
#
# 63 THR MG2 11 PHE HN 5.50 (# 707:10 Unique 5.26, 6.18 A)
&rst
ixpk= 707, nxpk= 10, iat= -1, 152, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 953, 954, 955,
&end
#
# 7 THR HN 11 PHE HN 3.50 (# 138:10 Unique 3.20, 3.43 A)
&rst
ixpk= 138, nxpk= 10, iat= 98, 152, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 8 ASP HA 11 PHE HN 4.50 (# 702:10 Unique 3.29, 3.47 A)
&rst
ixpk= 702, nxpk= 10, iat= 114, 152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 11 PHE HN 8 ASP HN 5.50 (# 684:10 Unique 4.68, 4.78 A)
&rst
ixpk= 684, nxpk= 10, iat= 152, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 11 PHE HN 9 GLN HN 5.50 (# 685:10 Unique 3.97, 4.04 A)
&rst
ixpk= 685, nxpk= 10, iat= 152, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 12 SER HA 12 SER HN 2.80 (# 485:10 Unique 2.76, 2.79 A)
&rst
ixpk= 485, nxpk= 10, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 SER HA 13 ALA HN 3.50 (# 136:10 Unique 3.47, 3.55 A)
&rst
ixpk= 136, nxpk= 10, iat= 174, 183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 SER HA 14 GLU HN 4.50 (# 722:10 Unique 4.47, 4.52 A)
&rst
ixpk= 722, nxpk= 10, iat= 174, 193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 12 SER HA 15 THR HN 3.50 (# 727:10 Unique 3.46, 3.51 A)
&rst
ixpk= 727, nxpk= 10, iat= 174, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 12 SER HA 15 THR MG2 4.50 (# 1676:20 Unique 4.03, 4.88 A)
&rst
ixpk= 1676, nxpk= 20, iat= 174, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 214, 215, 216,
&end
#
# 12 SER HN 13 ALA HN 2.80 (# 133:10 Unique 2.72, 2.81 A)
&rst
ixpk= 133, nxpk= 10, iat= 172, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 12 SER HN 14 GLU HN 5.50 (# 511:10 Unique 4.16, 4.29 A)
&rst
ixpk= 511, nxpk= 10, iat= 172, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA HA 13 ALA HN 2.80 (# 135:10 Unique 2.85, 2.88 A)
&rst
ixpk= 135, nxpk= 10, iat= 185, 183, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 13 ALA HA 13 ALA MB 2.80 (# 1711:20 Unique 2.45, 2.66 A)
&rst
ixpk= 1711, nxpk= 20, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 187, 188, 189,
&end
#
# 13 ALA HA 14 GLU HN 3.50 (# 723:10 Unique 3.57, 3.57 A)
&rst
ixpk= 723, nxpk= 10, iat= 185, 193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 16 SER HN 13 ALA HA 5.50 (# 2367:20 Unique 3.63, 3.72 A)
&rst
ixpk= 2367, nxpk= 20, iat= 222, 185, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA MB 13 ALA HN 2.80 (# 137:10 Unique 2.49, 2.93 A)
&rst
ixpk= 137, nxpk= 10, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 187, 188, 189,
&end
#
# 15 THR HN 13 ALA HN 5.50 (# 134:10 Unique 3.80, 4.05 A)
&rst
ixpk= 134, nxpk= 10, iat= 208, 183, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 13 ALA MB 14 GLU HN 2.80 (# 518:10 Unique 2.57, 3.41 A)
&rst
ixpk= 518, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 187, 188, 189,
&end
#
# 14 GLU HA 14 GLU HB+ 4.50 (# 994:20 Unique 2.51, 2.81 A)
&rst
ixpk= 994, nxpk= 20, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 197, 198,
&end
#
# 14 GLU HB- 14 GLU HA 2.80 (# 260:20 Unique 2.51, 2.81 A)
&rst
ixpk= 260, nxpk= 20, iat= -1, 195, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 14 GLU HA 14 GLU HG- 4.50 (# 2656:20 Unique 2.99, 3.38 A)
&rst
ixpk= 2656, nxpk= 20, iat= 195, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 200, 201,
&end
#
# 14 GLU HA 14 GLU HN 2.80 (# 513:10 Unique 2.84, 2.84 A)
&rst
ixpk= 513, nxpk= 10, iat= 195, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HN 14 GLU HA 5.50 (# 2365:20 Unique 3.57, 3.59 A)
&rst
ixpk= 2365, nxpk= 20, iat= 208, 195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLU HG+ 14 GLU HB+ 3.50 (# 995:20 Unique 2.42, 2.60 A)
&rst
ixpk= 995, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 200, 201,
igr2= 197, 198,
&end
#
# 14 GLU HB+ 14 GLU HG- 2.80 (# 760:20 Unique 2.42, 2.60 A)
&rst
ixpk= 760, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 197, 198,
igr2= 200, 201,
&end
#
# 14 GLU HB+ 14 GLU HN 2.80 (# 517:10 Unique 2.37, 3.01 A)
&rst
ixpk= 517, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 14 GLU HB+ 15 THR HN 4.50 (# 729:10 Unique 2.61, 3.22 A)
&rst
ixpk= 729, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 197, 198,
&end
#
# 14 GLU HB+ 15 THR MG2 4.50 (# 1677:20 Unique 3.22, 4.62 A)
&rst
ixpk= 1677, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 197, 198,
igr2= 214, 215, 216,
&end
#
# 14 GLU HG+ 14 GLU HB- 3.50 (# 991:20 Unique 2.42, 2.60 A)
&rst
ixpk= 991, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 200, 201,
igr2= 197, 198,
&end
#
# 14 GLU HB- 14 GLU HG- 2.80 (# 759:20 Unique 2.42, 2.60 A)
&rst
ixpk= 759, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 197, 198,
igr2= 200, 201,
&end
#
# 14 GLU HB- 14 GLU HN 2.80 (# 516:10 Unique 2.37, 3.01 A)
&rst
ixpk= 516, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 197, 198,
&end
#
# 14 GLU HB- 15 THR HN 4.50 (# 730:10 Unique 2.61, 3.22 A)
&rst
ixpk= 730, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 197, 198,
&end
#
# 15 THR MG2 14 GLU HB- 5.50 (# 2849:20 Unique 3.22, 4.62 A)
&rst
ixpk= 2849, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 214, 215, 216,
igr2= 197, 198,
&end
#
# 14 GLU HG+ 14 GLU HN 2.80 (# 514:10 Unique 2.37, 3.18 A)
&rst
ixpk= 514, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 200, 201,
&end
#
# 4 VAL MGX 14 GLU HG+ 5.50 (# 2862:20 Unique 2.56, 5.33 A)
&rst
ixpk= 2862, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 200, 201,
&end
#
# 14 GLU HG+ 53 VAL MGY 5.50 (# 2692:20 Unique 3.41, 5.09 A)
&rst
ixpk= 2692, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 200, 201,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 14 GLU HG+ 6 ALA MB 4.50 (# 2715:20 Unique 2.45, 3.93 A)
&rst
ixpk= 2715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 200, 201,
igr2= 92, 93, 94,
&end
#
# 14 GLU HG- 14 GLU HN 3.50 (# 515:10 Unique 2.37, 3.18 A)
&rst
ixpk= 515, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 200, 201,
&end
#
# 4 VAL MGX 14 GLU HG- 2.80 (# 763:20 Unique 2.56, 5.33 A)
&rst
ixpk= 763, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 200, 201,
&end
#
# 14 GLU HG- 6 ALA MB 3.50 (# 1373:20 Unique 2.45, 3.93 A)
&rst
ixpk= 1373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 200, 201,
igr2= 92, 93, 94,
&end
#
# 15 THR HN 14 GLU HN 2.80 (# 512:10 Unique 2.70, 2.75 A)
&rst
ixpk= 512, nxpk= 10, iat= 208, 193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR MG2 14 GLU HN 5.50 (# 717:10 Unique 4.46, 5.64 A)
&rst
ixpk= 717, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 16 SER HN 14 GLU HN 5.50 (# 725:10 Unique 4.07, 4.15 A)
&rst
ixpk= 725, nxpk= 10, iat= 222, 193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 ALA MB 14 GLU HN 5.50 (# 719:10 Unique 5.04, 5.64 A)
&rst
ixpk= 719, nxpk= 10, iat= -1, 193, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 92, 93, 94,
&end
#
# 15 THR HB 15 THR HA 2.80 (# 121:20 Unique 2.50, 2.52 A)
&rst
ixpk= 121, nxpk= 20, iat= 212, 210, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HA 15 THR HN 2.80 (# 635:10 Unique 2.84, 2.86 A)
&rst
ixpk= 635, nxpk= 10, iat= 210, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HA 15 THR MG2 2.80 (# 1684:20 Unique 2.42, 2.99 A)
&rst
ixpk= 1684, nxpk= 20, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 214, 215, 216,
&end
#
# 15 THR HA 16 SER HA 4.50 (# 125:20 Unique 4.55, 4.60 A)
&rst
ixpk= 125, nxpk= 20, iat= 210, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 THR HA 16 SER HN 3.50 (# 495:10 Unique 3.24, 3.31 A)
&rst
ixpk= 495, nxpk= 10, iat= 210, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HN 15 THR HA 5.50 (# 2125:20 Unique 3.33, 3.43 A)
&rst
ixpk= 2125, nxpk= 20, iat= 233, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 15 THR HA 20 VAL MGX 2.80 (# 1438:20 Unique 2.10, 3.11 A)
&rst
ixpk= 1438, nxpk= 20, iat= 210, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGY 15 THR HA 2.80 (# 141:20 Unique 2.10, 3.11 A)
&rst
ixpk= 141, nxpk= 20, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR HB 15 THR HN 3.50 (# 728:10 Unique 3.52, 3.54 A)
&rst
ixpk= 728, nxpk= 10, iat= 212, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 15 THR HB 15 THR MG2 2.80 (# 1685:20 Unique 2.40, 2.67 A)
&rst
ixpk= 1685, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 214, 215, 216,
&end
#
# 15 THR HB 20 VAL MGX 4.50 (# 1439:20 Unique 3.97, 4.82 A)
&rst
ixpk= 1439, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR HB 20 VAL MGY 4.50 (# 1528:20 Unique 3.97, 4.82 A)
&rst
ixpk= 1528, nxpk= 20, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 78 LEU MDY 15 THR HB 2.80 (# 13:20 Unique 2.18, 3.79 A)
&rst
ixpk= 13, nxpk= 20, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1182,1183,1184,1186,1187,1188,
&end
#
# 15 THR MG2 15 THR HN 2.80 (# 637:10 Unique 2.37, 3.33 A)
&rst
ixpk= 637, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 214, 215, 216,
&end
#
# 16 SER HN 15 THR HN 2.80 (# 634:10 Unique 2.73, 2.78 A)
&rst
ixpk= 634, nxpk= 10, iat= 222, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 15 THR HN 17 GLU HN 5.50 (# 739:10 Unique 4.46, 4.80 A)
&rst
ixpk= 739, nxpk= 10, iat= 208, 233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL MGX 15 THR HN 5.50 (# 734:10 Unique 4.05, 5.46 A)
&rst
ixpk= 734, nxpk= 10, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR MG2 16 SER HN 5.50 (# 735:10 Unique 4.82, 5.35 A)
&rst
ixpk= 735, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 15 THR MG2 20 VAL MGX 3.50 (# 1442:20 Unique 2.45, 4.67 A)
&rst
ixpk= 1442, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 214, 215, 216,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR MG2 20 VAL MGY 2.80 (# 1483:20 Unique 2.45, 4.67 A)
&rst
ixpk= 1483, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 214, 215, 216,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 15 THR MG2 22 ALA MB 3.50 (# 1551:20 Unique 3.09, 4.75 A)
&rst
ixpk= 1551, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 214, 215, 216,
igr2= 310, 311, 312,
&end
#
# 15 THR MG2 4 VAL MGX 5.50 (# 1637:20 Unique 7.36, 9.20 A)
&rst
ixpk= 1637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 214, 215, 216,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 15 THR MG2 53 VAL HB 5.50 (# 2843:20 Unique 3.39, 4.28 A)
&rst
ixpk= 2843, nxpk= 20, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 214, 215, 216,
&end
#
# 15 THR MG2 53 VAL MGY 2.80 (# 1489:20 Unique 2.85, 4.91 A)
&rst
ixpk= 1489, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 214, 215, 216,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 16 SER HN 16 SER HA 3.50 (# 124:20 Unique 2.83, 2.93 A)
&rst
ixpk= 124, nxpk= 20, iat= 222, 224, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HN 16 SER HA 4.50 (# 113:20 Unique 2.90, 3.06 A)
&rst
ixpk= 113, nxpk= 20, iat= 233, 224, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 81 GLY HA+ 16 SER HA 3.50 (# 127:20 Unique 2.29, 2.96 A)
&rst
ixpk= 127, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1228,1229,
&end
#
# 81 GLY HA- 16 SER HA 3.50 (# 126:20 Unique 2.29, 2.96 A)
&rst
ixpk= 126, nxpk= 20, iat= -1, 224, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1228,1229,
&end
#
# 16 SER HA 81 GLY HN 4.50 (# 1182:10 Unique 2.53, 2.63 A)
&rst
ixpk= 1182, nxpk= 10, iat= 224,1226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 16 SER HN 16 SER HB+ 3.50 (# 80:20 Unique 2.39, 3.06 A)
&rst
ixpk= 80, nxpk= 20, iat= 222, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 226, 227,
&end
#
# 81 GLY HA+ 16 SER HB+ 5.50 (# 2106:20 Unique 3.47, 4.45 A)
&rst
ixpk= 2106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1228,1229,
igr2= 226, 227,
&end
#
# 16 SER HB- 16 SER HN 2.80 (# 497:10 Unique 2.39, 3.06 A)
&rst
ixpk= 497, nxpk= 10, iat= -1, 222, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 226, 227,
&end
#
# 17 GLU HG+ 16 SER HB- 5.50 (# 2104:20 Unique 2.95, 4.33 A)
&rst
ixpk= 2104, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 240, 241,
igr2= 226, 227,
&end
#
# 17 GLU HN 16 SER HB- 5.50 (# 2107:20 Unique 3.12, 4.17 A)
&rst
ixpk= 2107, nxpk= 20, iat= 233, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 226, 227,
&end
#
# 81 GLY HA+ 16 SER HB- 5.50 (# 2105:20 Unique 3.47, 4.45 A)
&rst
ixpk= 2105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1228,1229,
igr2= 226, 227,
&end
#
# 17 GLU HN 16 SER HN 2.80 (# 492:10 Unique 2.55, 2.78 A)
&rst
ixpk= 492, nxpk= 10, iat= 233, 222, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 GLU HA 17 GLU HB- 3.50 (# 824:20 Unique 2.41, 2.73 A)
&rst
ixpk= 824, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 237, 238,
&end
#
# 17 GLU HA 17 GLU HG+ 3.50 (# 704:20 Unique 2.31, 2.76 A)
&rst
ixpk= 704, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 240, 241,
&end
#
# 17 GLU HA 17 GLU HN 3.50 (# 384:10 Unique 2.90, 2.96 A)
&rst
ixpk= 384, nxpk= 10, iat= 235, 233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLU HA 18 GLY HA+ 4.50 (# 2573:20 Unique 4.20, 4.32 A)
&rst
ixpk= 2573, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 250, 251,
&end
#
# 17 GLU HA 18 GLY HA- 5.50 (# 2572:20 Unique 4.20, 4.32 A)
&rst
ixpk= 2572, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 17 GLU HA 18 GLY HN 2.80 (# 606:10 Unique 2.36, 2.54 A)
&rst
ixpk= 606, nxpk= 10, iat= 235, 248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 17 GLU HA 20 VAL MGX 4.50 (# 1437:20 Unique 4.98, 6.66 A)
&rst
ixpk= 1437, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 17 GLU HA 51 LYS HE- 5.50 (# 526:20 Unique 4.74, 5.41 A)
&rst
ixpk= 526, nxpk= 20, iat= 235, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 761, 762,
&end
#
# 17 GLU HA 80 ASP HA 4.50 (# 282:20 Unique 4.28, 4.48 A)
&rst
ixpk= 282, nxpk= 20, iat= 235,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 17 GLU HA 80 ASP HN 5.50 (# 1172:10 Unique 5.31, 5.50 A)
&rst
ixpk= 1172, nxpk= 10, iat= 235,1214, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLU HG+ 17 GLU HB+ 2.80 (# 827:20 Unique 2.40, 2.76 A)
&rst
ixpk= 827, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 240, 241,
igr2= 237, 238,
&end
#
# 17 GLU HB+ 17 GLU HN 2.80 (# 383:10 Unique 2.46, 3.23 A)
&rst
ixpk= 383, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 237, 238,
&end
#
# 17 GLU HB- 17 GLU HN 2.80 (# 382:10 Unique 2.46, 3.23 A)
&rst
ixpk= 382, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 237, 238,
&end
#
# 17 GLU HG+ 17 GLU HN 3.50 (# 381:10 Unique 2.50, 3.56 A)
&rst
ixpk= 381, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 240, 241,
&end
#
# 17 GLU HG+ 18 GLY HN 4.50 (# 754:10 Unique 4.70, 5.04 A)
&rst
ixpk= 754, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 240, 241,
&end
#
# 51 LYS HE+ 17 GLU HG+ 5.50 (# 2698:20 Unique 3.22, 5.12 A)
&rst
ixpk= 2698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 761, 762,
igr2= 240, 241,
&end
#
# 17 GLU HN 18 GLY HN 5.50 (# 756:10 Unique 2.69, 3.24 A)
&rst
ixpk= 756, nxpk= 10, iat= 233, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL MGX 17 GLU HN 4.50 (# 749:10 Unique 2.57, 4.49 A)
&rst
ixpk= 749, nxpk= 10, iat= -1, 233, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 18 GLY HA+ 18 GLY HN 2.80 (# 609:10 Unique 2.33, 2.67 A)
&rst
ixpk= 609, nxpk= 10, iat= -1, 248, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 18 GLY HA+ 19 VAL HN 2.80 (# 153:10 Unique 2.23, 2.61 A)
&rst
ixpk= 153, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 19 VAL MGX 18 GLY HA+ 5.50 (# 2891:20 Unique 4.19, 6.12 A)
&rst
ixpk= 2891, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262, 263, 265, 266, 267,
igr2= 250, 251,
&end
#
# 18 GLY HN 18 GLY HA- 2.80 (# 422:20 Unique 2.33, 2.67 A)
&rst
ixpk= 422, nxpk= 20, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 250, 251,
&end
#
# 19 VAL HB 18 GLY HA- 5.50 (# 2762:20 Unique 4.60, 4.97 A)
&rst
ixpk= 2762, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 250, 251,
&end
#
# 18 GLY HA- 19 VAL HN 2.80 (# 152:10 Unique 2.23, 2.61 A)
&rst
ixpk= 152, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 250, 251,
&end
#
# 19 VAL MGX 18 GLY HA- 5.50 (# 2890:20 Unique 4.19, 6.12 A)
&rst
ixpk= 2890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 261, 262, 263, 265, 266, 267,
igr2= 250, 251,
&end
#
# 19 VAL HN 18 GLY HN 4.50 (# 757:10 Unique 4.53, 4.56 A)
&rst
ixpk= 757, nxpk= 10, iat= 255, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HA 18 GLY HN 5.50 (# 755:10 Unique 4.59, 4.84 A)
&rst
ixpk= 755, nxpk= 10, iat=1194, 248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 80 ASP HA 18 GLY HN 2.80 (# 607:10 Unique 2.81, 2.86 A)
&rst
ixpk= 607, nxpk= 10, iat=1216, 248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 18 GLY HN 80 ASP HB- 5.50 (# 2309:20 Unique 3.58, 4.65 A)
&rst
ixpk= 2309, nxpk= 20, iat= 248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1218,1219,
&end
#
# 80 ASP HN 18 GLY HN 3.50 (# 605:10 Unique 2.88, 3.19 A)
&rst
ixpk= 605, nxpk= 10, iat=1214, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 VAL HB 19 VAL HA 4.50 (# 1935:20 Unique 3.06, 3.07 A)
&rst
ixpk= 1935, nxpk= 20, iat= 259, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HN 19 VAL HA 5.50 (# 2916:20 Unique 2.92, 2.93 A)
&rst
ixpk= 2916, nxpk= 20, iat= 255, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL MGX 19 VAL HA 3.50 (# 1936:20 Unique 2.38, 3.16 A)
&rst
ixpk= 1936, nxpk= 20, iat= -1, 257, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 20 VAL HN 19 VAL HA 2.80 (# 1934:20 Unique 2.16, 2.22 A)
&rst
ixpk= 1934, nxpk= 20, iat= 271, 257, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HA 20 VAL MGX 3.50 (# 1429:20 Unique 3.58, 5.56 A)
&rst
ixpk= 1429, nxpk= 20, iat= 257, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 19 VAL HB 19 VAL HN 2.80 (# 154:10 Unique 2.36, 2.44 A)
&rst
ixpk= 154, nxpk= 10, iat= 259, 255, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 19 VAL HB 19 VAL MGX 2.80 (# 1409:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1409, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HB 19 VAL MGY 2.80 (# 1592:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1592, nxpk= 20, iat= 259, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HB 20 VAL HN 4.50 (# 765:10 Unique 4.25, 4.35 A)
&rst
ixpk= 765, nxpk= 10, iat= 259, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 19 VAL HB 51 LYS HN 5.50 (# 1008:10 Unique 3.88, 4.34 A)
&rst
ixpk= 1008, nxpk= 10, iat= 259, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL MGX 19 VAL HN 2.80 (# 155:10 Unique 2.42, 4.01 A)
&rst
ixpk= 155, nxpk= 10, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HN 19 VAL MGY 4.50 (# 1589:20 Unique 2.42, 4.01 A)
&rst
ixpk= 1589, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL HN 20 VAL HN 5.50 (# 767:10 Unique 4.40, 4.45 A)
&rst
ixpk= 767, nxpk= 10, iat= 255, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL HN 20 VAL MGX 5.50 (# 2271:20 Unique 4.12, 6.11 A)
&rst
ixpk= 2271, nxpk= 20, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 50 LEU HA 19 VAL HN 5.50 (# 759:10 Unique 3.39, 3.76 A)
&rst
ixpk= 759, nxpk= 10, iat= 731, 255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 VAL MGX 20 VAL HN 3.50 (# 762:10 Unique 3.06, 4.37 A)
&rst
ixpk= 762, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 77 VAL MGX 19 VAL MGX 2.80 (# 1414:20 Unique 2.44, 5.99 A)
&rst
ixpk= 1414, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1163,1164,1165,1167,1168,1169,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGX 79 LYS HA 4.50 (# 1989:20 Unique 3.69, 5.15 A)
&rst
ixpk= 1989, nxpk= 20, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGX 79 LYS HD+ 3.50 (# 997:20 Unique 2.41, 5.08 A)
&rst
ixpk= 997, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1202,1203,
&end
#
# 79 LYS HE+ 19 VAL MGX 4.50 (# 1395:20 Unique 2.44, 5.44 A)
&rst
ixpk= 1395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1205,1206,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 19 VAL MGX 79 LYS HG+ 3.50 (# 1253:20 Unique 2.18, 4.70 A)
&rst
ixpk= 1253, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 261, 262, 263, 265, 266, 267,
igr2=1199,1200,
&end
#
# 19 VAL MGX 80 ASP HN 5.50 (# 1177:10 Unique 4.95, 6.46 A)
&rst
ixpk= 1177, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 261, 262, 263, 265, 266, 267,
&end
#
# 20 VAL HN 19 VAL MGY 2.80 (# 1588:20 Unique 3.06, 4.37 A)
&rst
ixpk= 1588, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 21 LEU HB+ 19 VAL MGY 3.50 (# 1594:20 Unique 3.82, 6.86 A)
&rst
ixpk= 1594, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 291, 292,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 77 VAL MGX 19 VAL MGY 2.80 (# 1596:20 Unique 2.44, 5.99 A)
&rst
ixpk= 1596, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1163,1164,1165,1167,1168,1169,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 84 VAL MGX 19 VAL MGY 4.50 (# 1597:20 Unique 3.90, 7.18 A)
&rst
ixpk= 1597, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1270,1271,1272,1274,1275,1276,
igr2= 261, 262, 263, 265, 266, 267,
&end
#
# 2 ALA HA 2 ALA MB 2.80 (# 1664:20 Unique 2.41, 2.68 A)
&rst
ixpk= 1664, nxpk= 20, iat= 23, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 25, 26, 27,
&end
#
# 3 ILE HA 2 ALA HA 5.50 (# 2569:20 Unique 4.44, 4.51 A)
&rst
ixpk= 2569, nxpk= 20, iat= 33, 23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 2 ALA HA 3 ILE HB 5.50 (# 2660:20 Unique 4.53, 4.94 A)
&rst
ixpk= 2660, nxpk= 20, iat= 23, 35, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 3 ILE HG1- 2 ALA HA 4.50 (# 334:20 Unique 4.02, 5.01 A)
&rst
ixpk= 334, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 41, 42,
&end
#
# 2 ALA HA 3 ILE HN 2.80 (# 157:10 Unique 2.21, 2.55 A)
&rst
ixpk= 157, nxpk= 10, iat= 23, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE HA 2 ALA MB 5.50 (# 2504:20 Unique 4.53, 5.16 A)
&rst
ixpk= 2504, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 25, 26, 27,
&end
#
# 3 ILE HB 2 ALA MB 4.50 (# 1665:20 Unique 4.18, 5.33 A)
&rst
ixpk= 1665, nxpk= 20, iat= 35, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 25, 26, 27,
&end
#
# 2 ALA MB 3 ILE HN 2.80 (# 159:10 Unique 2.10, 3.17 A)
&rst
ixpk= 159, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 25, 26, 27,
&end
#
# 4 VAL MGY 2 ALA MB 4.20 (# 1666:20 Unique 2.88, 6.37 A)
&rst
ixpk= 1666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 25, 26, 27,
&end
#
# 20 VAL HA 20 VAL HB 4.50 (# 2532:20 Unique 3.03, 3.04 A)
&rst
ixpk= 2532, nxpk= 20, iat= 273, 275, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HA 20 VAL HN 3.50 (# 766:10 Unique 2.95, 2.96 A)
&rst
ixpk= 766, nxpk= 10, iat= 273, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL MGY 20 VAL HA 2.80 (# 1958:20 Unique 2.34, 3.12 A)
&rst
ixpk= 1958, nxpk= 20, iat= -1, 273, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 21 LEU HN 20 VAL HA 2.80 (# 2917:20 Unique 2.06, 2.14 A)
&rst
ixpk= 2917, nxpk= 20, iat= 287, 273, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 VAL HA 51 LYS HB+ 3.50 (# 744:20 Unique 2.62, 3.52 A)
&rst
ixpk= 744, nxpk= 20, iat= 273, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 752, 753,
&end
#
# 20 VAL HA 51 LYS HN 2.80 (# 105:10 Unique 2.37, 2.57 A)
&rst
ixpk= 105, nxpk= 10, iat= 273, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 VAL HB 20 VAL HN 2.80 (# 49:10 Unique 2.74, 2.78 A)
&rst
ixpk= 49, nxpk= 10, iat= 275, 271, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 20 VAL MGX 20 VAL HB 2.80 (# 700:20 Unique 2.34, 2.68 A)
&rst
ixpk= 700, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL HB 78 LEU HB+ 4.50 (# 448:20 Unique 2.50, 3.32 A)
&rst
ixpk= 448, nxpk= 20, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1177,1178,
&end
#
# 78 LEU HB- 20 VAL HB 2.80 (# 699:20 Unique 2.50, 3.32 A)
&rst
ixpk= 699, nxpk= 20, iat= -1, 275, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1177,1178,
&end
#
# 20 VAL HB 78 LEU HN 3.50 (# 788:10 Unique 3.42, 3.52 A)
&rst
ixpk= 788, nxpk= 10, iat= 275,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL HN 20 VAL MGX 3.50 (# 1433:20 Unique 2.91, 4.20 A)
&rst
ixpk= 1433, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL HN 21 LEU HN 4.50 (# 769:10 Unique 4.07, 4.18 A)
&rst
ixpk= 769, nxpk= 10, iat= 271, 287, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 20 VAL HN 51 LYS HN 5.50 (# 1009:10 Unique 4.75, 4.83 A)
&rst
ixpk= 1009, nxpk= 10, iat= 271, 748, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 VAL HN 78 LEU HB+ 5.50 (# 2204:20 Unique 3.79, 4.45 A)
&rst
ixpk= 2204, nxpk= 20, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1177,1178,
&end
#
# 78 LEU HB- 20 VAL HN 4.50 (# 764:10 Unique 3.79, 4.45 A)
&rst
ixpk= 764, nxpk= 10, iat= -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1177,1178,
&end
#
# 78 LEU HN 20 VAL HN 3.50 (# 46:10 Unique 2.99, 3.10 A)
&rst
ixpk= 46, nxpk= 10, iat=1173, 271, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 20 VAL MGX 51 LYS HB+ 3.50 (# 747:20 Unique 2.20, 3.99 A)
&rst
ixpk= 747, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 277, 278, 279, 281, 282, 283,
igr2= 752, 753,
&end
#
# 51 LYS HD+ 20 VAL MGX 2.80 (# 1430:20 Unique 2.40, 4.06 A)
&rst
ixpk= 1430, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 758, 759,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 51 LYS HG+ 20 VAL MGX 4.50 (# 1431:20 Unique 2.86, 5.11 A)
&rst
ixpk= 1431, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 755, 756,
igr2= 277, 278, 279, 281, 282, 283,
&end
#
# 20 VAL MGY 51 LYS HB+ 4.50 (# 748:20 Unique 2.20, 3.99 A)
&rst
ixpk= 748, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 277, 278, 279, 281, 282, 283,
igr2= 752, 753,
&end
#
# 21 LEU HA 21 LEU HB+ 3.50 (# 418:20 Unique 2.39, 2.74 A)
&rst
ixpk= 418, nxpk= 20, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 291, 292,
&end
#
# 21 LEU HB- 21 LEU HA 4.50 (# 2006:20 Unique 2.39, 2.74 A)
&rst
ixpk= 2006, nxpk= 20, iat= -1, 289, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 291, 292,
&end
#
# 21 LEU HN 21 LEU HA 3.50 (# 2008:20 Unique 2.97, 2.98 A)
&rst
ixpk= 2008, nxpk= 20, iat= 287, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HN 21 LEU HA 2.80 (# 2007:20 Unique 2.09, 2.18 A)
&rst
ixpk= 2007, nxpk= 20, iat= 306, 289, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL HA 21 LEU HA 3.50 (# 2005:20 Unique 2.24, 2.44 A)
&rst
ixpk= 2005, nxpk= 20, iat=1159, 289, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 21 LEU HG 21 LEU HB+ 2.80 (# 420:20 Unique 2.40, 2.77 A)
&rst
ixpk= 420, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 291, 292,
&end
#
# 21 LEU HN 21 LEU HB+ 4.50 (# 417:20 Unique 2.26, 2.65 A)
&rst
ixpk= 417, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 22 ALA HN 21 LEU HB+ 5.50 (# 2197:20 Unique 4.17, 4.47 A)
&rst
ixpk= 2197, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 21 LEU HB+ 50 LEU MDX 2.80 (# 1361:20 Unique 2.17, 3.94 A)
&rst
ixpk= 1361, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 291, 292,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 52 ILE HA 21 LEU HB+ 5.50 (# 2542:20 Unique 2.80, 3.74 A)
&rst
ixpk= 2542, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 291, 292,
&end
#
# 21 LEU HB+ 52 ILE HG1+ 5.50 (# 2828:20 Unique 2.25, 3.90 A)
&rst
ixpk= 2828, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 291, 292,
igr2= 780, 781,
&end
#
# 21 LEU HG 21 LEU HB- 2.80 (# 413:20 Unique 2.40, 2.77 A)
&rst
ixpk= 413, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 291, 292,
&end
#
# 21 LEU HB- 21 LEU HN 2.80 (# 78:10 Unique 2.26, 2.65 A)
&rst
ixpk= 78, nxpk= 10, iat= -1, 287, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 291, 292,
&end
#
# 21 LEU HB- 21 LEU MDY 2.80 (# 1188:20 Unique 2.36, 3.32 A)
&rst
ixpk= 1188, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 291, 292,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 21 LEU HB- 22 ALA HN 5.50 (# 779:10 Unique 4.17, 4.47 A)
&rst
ixpk= 779, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 291, 292,
&end
#
# 52 ILE HA 21 LEU HB- 4.50 (# 2541:20 Unique 2.80, 3.74 A)
&rst
ixpk= 2541, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 291, 292,
&end
#
# 52 ILE HG1- 21 LEU HB- 3.50 (# 2789:20 Unique 2.25, 3.90 A)
&rst
ixpk= 2789, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 780, 781,
igr2= 291, 292,
&end
#
# 21 LEU HB- 52 ILE QD1 4.50 (# 1868:20 Unique 3.95, 5.36 A)
&rst
ixpk= 1868, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 291, 292,
igr2= 783, 784, 785,
&end
#
# 21 LEU HB- 52 ILE QG2 4.50 (# 1744:20 Unique 2.83, 5.14 A)
&rst
ixpk= 1744, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 291, 292,
igr2= 776, 777, 778,
&end
#
# 21 LEU HG 77 VAL MGX 3.80 (# 1560:20 Unique 2.22, 5.66 A)
&rst
ixpk= 1560, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 21 LEU HG 77 VAL MGY 4.50 (# 1521:20 Unique 2.22, 5.66 A)
&rst
ixpk= 1521, nxpk= 20, iat= 294, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 22 ALA HN 21 LEU HN 5.50 (# 67:10 Unique 3.99, 4.17 A)
&rst
ixpk= 67, nxpk= 10, iat= 306, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 21 LEU HN 50 LEU MDX 3.50 (# 1355:20 Unique 2.67, 4.53 A)
&rst
ixpk= 1355, nxpk= 20, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 22 ALA HN 21 LEU MDX 4.50 (# 1288:20 Unique 2.33, 5.08 A)
&rst
ixpk= 1288, nxpk= 20, iat= 306, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 75 LEU HA 21 LEU MDX 5.50 (# 2471:20 Unique 3.07, 5.26 A)
&rst
ixpk= 2471, nxpk= 20, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 76 LEU HN 21 LEU MDX 5.50 (# 1289:20 Unique 2.89, 5.44 A)
&rst
ixpk= 1289, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 77 VAL HA 21 LEU MDX 5.50 (# 1291:20 Unique 2.70, 5.45 A)
&rst
ixpk= 1291, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 296, 297, 298, 300, 301, 302,
&end
#
# 22 ALA HN 22 ALA HA 4.50 (# 2034:20 Unique 2.92, 2.94 A)
&rst
ixpk= 2034, nxpk= 20, iat= 306, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 22 ALA MB 22 ALA HA 2.80 (# 2040:20 Unique 2.41, 2.66 A)
&rst
ixpk= 2040, nxpk= 20, iat= -1, 308, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 310, 311, 312,
&end
#
# 23 ASP HN 22 ALA HA 2.80 (# 2035:20 Unique 2.16, 2.25 A)
&rst
ixpk= 2035, nxpk= 20, iat= 316, 308, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 53 VAL HB 22 ALA HA 3.50 (# 2038:20 Unique 2.36, 2.42 A)
&rst
ixpk= 2038, nxpk= 20, iat= 793, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 22 ALA HA 53 VAL HN 2.80 (# 127:10 Unique 2.31, 2.48 A)
&rst
ixpk= 127, nxpk= 10, iat= 308, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 22 ALA HA 53 VAL MGY 3.50 (# 1533:20 Unique 3.57, 4.65 A)
&rst
ixpk= 1533, nxpk= 20, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 22 ALA MB 22 ALA HN 2.80 (# 44:10 Unique 2.32, 2.94 A)
&rst
ixpk= 44, nxpk= 10, iat= -1, 306, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 310, 311, 312,
&end
#
# 23 ASP HN 22 ALA HN 5.50 (# 783:10 Unique 4.14, 4.50 A)
&rst
ixpk= 783, nxpk= 10, iat= 316, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HA 22 ALA HN 5.50 (# 781:10 Unique 4.14, 4.65 A)
&rst
ixpk= 781, nxpk= 10, iat=1121, 306, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 76 LEU HN 22 ALA HN 3.00 (# 42:10 Unique 2.92, 3.04 A)
&rst
ixpk= 42, nxpk= 10, iat=1138, 306, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 77 VAL HA 22 ALA HN 3.50 (# 780:10 Unique 3.12, 3.34 A)
&rst
ixpk= 780, nxpk= 10, iat=1159, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASP HN 22 ALA MB 3.50 (# 1538:20 Unique 2.77, 3.68 A)
&rst
ixpk= 1538, nxpk= 20, iat= 316, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 310, 311, 312,
&end
#
# 24 PHE HD 22 ALA MB 5.50 (# 2451:20 Unique 3.28, 5.72 A)
&rst
ixpk= 2451, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 336, 344,
igr2= 310, 311, 312,
&end
#
# 55 ILE QD1 22 ALA MB 4.50 (# 1550:20 Unique 4.97, 6.79 A)
&rst
ixpk= 1550, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 840, 841, 842,
igr2= 310, 311, 312,
&end
#
# 75 LEU HA 22 ALA MB 5.50 (# 2477:20 Unique 4.64, 5.40 A)
&rst
ixpk= 2477, nxpk= 20, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 310, 311, 312,
&end
#
# 76 LEU HB- 22 ALA MB 2.80 (# 1545:20 Unique 2.13, 3.64 A)
&rst
ixpk= 1545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1142,1143,
igr2= 310, 311, 312,
&end
#
# 22 ALA MB 76 LEU HN 2.80 (# 261:10 Unique 2.90, 3.88 A)
&rst
ixpk= 261, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 310, 311, 312,
&end
#
# 23 ASP HB+ 23 ASP HA 3.50 (# 2027:20 Unique 2.37, 2.71 A)
&rst
ixpk= 2027, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 320, 321,
&end
#
# 23 ASP HB- 23 ASP HA 4.50 (# 2026:20 Unique 2.37, 2.71 A)
&rst
ixpk= 2026, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 320, 321,
&end
#
# 23 ASP HN 23 ASP HA 3.50 (# 2023:20 Unique 2.98, 2.98 A)
&rst
ixpk= 2023, nxpk= 20, iat= 316, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASP HA 24 PHE HN 2.80 (# 77:10 Unique 2.10, 2.15 A)
&rst
ixpk= 77, nxpk= 10, iat= 318, 328, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HA 23 ASP HA 3.50 (# 2025:20 Unique 2.60, 2.74 A)
&rst
ixpk= 2025, nxpk= 20, iat=1121, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU HG 23 ASP HA 4.50 (# 2751:20 Unique 2.76, 4.12 A)
&rst
ixpk= 2751, nxpk= 20, iat=1126, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 75 LEU MDX 23 ASP HA 2.80 (# 2028:20 Unique 2.13, 4.54 A)
&rst
ixpk= 2028, nxpk= 20, iat= -1, 318, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1128,1129,1130,1132,1133,1134,
&end
#
# 23 ASP HA 76 LEU HN 4.50 (# 1156:10 Unique 3.79, 3.92 A)
&rst
ixpk= 1156, nxpk= 10, iat= 318,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ASP HB+ 23 ASP HN 2.80 (# 231:10 Unique 2.37, 2.92 A)
&rst
ixpk= 231, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 320, 321,
&end
#
# 23 ASP HB- 23 ASP HN 2.80 (# 230:10 Unique 2.37, 2.92 A)
&rst
ixpk= 230, nxpk= 10, iat= -1, 316, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 320, 321,
&end
#
# 23 ASP HB- 39 LEU MDY 5.50 (# 2694:20 Unique 2.66, 4.48 A)
&rst
ixpk= 2694, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 320, 321,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 23 ASP HB- 54 LYS HA 3.50 (# 1975:20 Unique 2.28, 3.28 A)
&rst
ixpk= 1975, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 320, 321,
&end
#
# 53 VAL HB 23 ASP HN 4.50 (# 795:10 Unique 3.97, 4.04 A)
&rst
ixpk= 795, nxpk= 10, iat= 793, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 23 ASP HN 54 LYS HA 3.50 (# 1972:20 Unique 2.62, 2.77 A)
&rst
ixpk= 1972, nxpk= 20, iat= 316, 807, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASP HN 55 ILE HN 5.50 (# 1032:10 Unique 3.49, 3.68 A)
&rst
ixpk= 1032, nxpk= 10, iat= 316, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 24 PHE HB+ 24 PHE HA 4.50 (# 1966:20 Unique 2.54, 2.80 A)
&rst
ixpk= 1966, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 24 PHE HB- 24 PHE HA 4.50 (# 2576:20 Unique 2.54, 2.80 A)
&rst
ixpk= 2576, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 24 PHE HN 24 PHE HA 3.50 (# 1963:20 Unique 2.91, 2.92 A)
&rst
ixpk= 1963, nxpk= 20, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 24 PHE HA 25 TRP HN 2.80 (# 189:10 Unique 2.13, 2.16 A)
&rst
ixpk= 189, nxpk= 10, iat= 330, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ILE QG2 24 PHE HA 3.50 (# 1968:20 Unique 2.29, 3.27 A)
&rst
ixpk= 1968, nxpk= 20, iat= -1, 330, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 833, 834, 835,
&end
#
# 24 PHE HD 24 PHE HB+ 3.50 (# 637:20 Unique 2.38, 3.09 A)
&rst
ixpk= 637, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 24 PHE HB+ 24 PHE HN 4.50 (# 802:10 Unique 2.28, 2.93 A)
&rst
ixpk= 802, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 24 PHE HB+ 25 TRP HN 5.50 (# 811:10 Unique 3.50, 4.02 A)
&rst
ixpk= 811, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 57 VAL MGX 24 PHE HB+ 3.50 (# 640:20 Unique 2.41, 4.89 A)
&rst
ixpk= 640, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 332, 333,
&end
#
# 24 PHE HB+ 69 VAL MGY 3.50 (# 1602:20 Unique 2.41, 4.28 A)
&rst
ixpk= 1602, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 332, 333,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 72 ILE QG2 24 PHE HB+ 4.50 (# 2871:20 Unique 2.56, 3.81 A)
&rst
ixpk= 2871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1078,1079,1080,
igr2= 332, 333,
&end
#
# 74 THR HB 24 PHE HB+ 4.50 (# 2596:20 Unique 2.17, 2.88 A)
&rst
ixpk= 2596, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 332, 333,
&end
#
# 24 PHE HB+ 74 THR HN 4.50 (# 1139:10 Unique 2.89, 3.60 A)
&rst
ixpk= 1139, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 332, 333,
&end
#
# 24 PHE HD 24 PHE HB- 3.50 (# 633:20 Unique 2.38, 3.09 A)
&rst
ixpk= 633, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 336, 344,
igr2= 332, 333,
&end
#
# 24 PHE HB- 24 PHE HN 3.50 (# 803:10 Unique 2.28, 2.93 A)
&rst
ixpk= 803, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 24 PHE HB- 25 TRP HN 5.50 (# 808:10 Unique 3.50, 4.02 A)
&rst
ixpk= 808, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 332, 333,
&end
#
# 57 VAL MGX 24 PHE HB- 4.50 (# 2754:20 Unique 2.41, 4.89 A)
&rst
ixpk= 2754, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 332, 333,
&end
#
# 69 VAL MGY 24 PHE HB- 4.50 (# 2895:20 Unique 2.41, 4.28 A)
&rst
ixpk= 2895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1034,1035,1036,1038,1039,1040,
igr2= 332, 333,
&end
#
# 72 ILE QG2 24 PHE HB- 4.50 (# 2896:20 Unique 2.56, 3.81 A)
&rst
ixpk= 2896, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1078,1079,1080,
igr2= 332, 333,
&end
#
# 74 THR HB 24 PHE HB- 3.50 (# 635:20 Unique 2.17, 2.88 A)
&rst
ixpk= 635, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 332, 333,
&end
#
# 24 PHE HB- 74 THR HN 3.50 (# 1137:10 Unique 2.89, 3.60 A)
&rst
ixpk= 1137, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 332, 333,
&end
#
# 74 THR MG2 24 PHE HB- 5.50 (# 2897:20 Unique 3.04, 4.67 A)
&rst
ixpk= 2897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1111,1112,1113,
igr2= 332, 333,
&end
#
# 24 PHE HD 24 PHE HN 3.50 (# 801:10 Unique 2.31, 3.75 A)
&rst
ixpk= 801, nxpk= 10, iat= -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 336, 344,
&end
#
# 24 PHE HD 55 ILE QG2 4.50 (# 1833:20 Unique 2.95, 4.18 A)
&rst
ixpk= 1833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 336, 344,
igr2= 833, 834, 835,
&end
#
# 24 PHE HD 57 VAL MGX 2.80 (# 1341:20 Unique 2.17, 5.97 A)
&rst
ixpk= 1341, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 336, 344,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 24 PHE HD 57 VAL MGY 5.50 (# 2455:20 Unique 2.17, 5.97 A)
&rst
ixpk= 2455, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 336, 344,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 24 PHE HD 64 ALA HN 5.50 (# 1085:10 Unique 4.05, 5.86 A)
&rst
ixpk= 1085, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 344,
&end
#
# 24 PHE HD 64 ALA MB 4.50 (# 1733:20 Unique 2.69, 5.60 A)
&rst
ixpk= 1733, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 336, 344,
igr2= 965, 966, 967,
&end
#
# 24 PHE HD 69 VAL MGY 4.50 (# 1621:20 Unique 3.30, 5.11 A)
&rst
ixpk= 1621, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 336, 344,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 24 PHE HD 72 ILE QG2 5.50 (# 2464:20 Unique 4.34, 6.01 A)
&rst
ixpk= 2464, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 336, 344,
igr2=1078,1079,1080,
&end
#
# 24 PHE HD 74 THR MG2 5.50 (# 1495:20 Unique 3.17, 5.74 A)
&rst
ixpk= 1495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 336, 344,
igr2=1111,1112,1113,
&end
#
# 24 PHE HD 76 LEU HN 5.50 (# 1154:10 Unique 3.17, 5.91 A)
&rst
ixpk= 1154, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 336, 344,
&end
#
# 24 PHE HN 74 THR HN 4.50 (# 254:10 Unique 2.98, 3.20 A)
&rst
ixpk= 254, nxpk= 10, iat= 328,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HB+ 25 TRP HA 3.50 (# 1983:20 Unique 2.21, 2.50 A)
&rst
ixpk= 1983, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 25 TRP HB- 25 TRP HA 3.50 (# 1982:20 Unique 2.21, 2.50 A)
&rst
ixpk= 1982, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 25 TRP HA 25 TRP HN 2.80 (# 806:10 Unique 2.91, 2.92 A)
&rst
ixpk= 806, nxpk= 10, iat= 350, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 TRP HA 26 ALA HN 2.80 (# 820:10 Unique 2.54, 2.65 A)
&rst
ixpk= 820, nxpk= 10, iat= 350, 372, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 TRP HA 26 ALA MB 5.50 (# 2506:20 Unique 4.57, 5.06 A)
&rst
ixpk= 2506, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 376, 377, 378,
&end
#
# 32 CYS HB3 25 TRP HA 4.50 (# 2743:20 Unique 3.09, 4.18 A)
&rst
ixpk= 2743, nxpk= 20, iat= 456, 350, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HA 72 ILE HB 4.50 (# 2536:20 Unique 2.23, 2.36 A)
&rst
ixpk= 2536, nxpk= 20, iat= 350,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 72 ILE QD1 25 TRP HA 4.50 (# 1985:20 Unique 2.28, 3.47 A)
&rst
ixpk= 1985, nxpk= 20, iat= -1, 350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1085,1086,1087,
&end
#
# 25 TRP HA 72 ILE QG2 4.50 (# 2503:20 Unique 2.50, 3.65 A)
&rst
ixpk= 2503, nxpk= 20, iat= 350, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1078,1079,1080,
&end
#
# 25 TRP HD1 25 TRP HB+ 4.50 (# 2398:20 Unique 2.47, 3.09 A)
&rst
ixpk= 2398, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 352, 353,
&end
#
# 25 TRP HB+ 25 TRP HN 5.50 (# 810:10 Unique 2.78, 3.43 A)
&rst
ixpk= 810, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 26 ALA HN 2.80 (# 817:10 Unique 2.59, 3.31 A)
&rst
ixpk= 817, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 32 CYS HB2 4.50 (# 2744:20 Unique 3.49, 4.76 A)
&rst
ixpk= 2744, nxpk= 20, iat= -1, 455, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 25 TRP HB+ 32 CYS HB3 3.50 (# 722:20 Unique 2.11, 3.26 A)
&rst
ixpk= 722, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 25 TRP HD1 25 TRP HB- 5.50 (# 2399:20 Unique 2.47, 3.09 A)
&rst
ixpk= 2399, nxpk= 20, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 352, 353,
&end
#
# 25 TRP HE3 25 TRP HB- 5.50 (# 2401:20 Unique 2.82, 3.61 A)
&rst
ixpk= 2401, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 352, 353,
&end
#
# 25 TRP HB- 25 TRP HN 4.50 (# 809:10 Unique 2.78, 3.43 A)
&rst
ixpk= 809, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 25 TRP HB- 26 ALA HN 3.50 (# 818:10 Unique 2.59, 3.31 A)
&rst
ixpk= 818, nxpk= 10, iat= -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 352, 353,
&end
#
# 32 CYS HB2 25 TRP HB- 5.50 (# 2609:20 Unique 3.49, 4.76 A)
&rst
ixpk= 2609, nxpk= 20, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 352, 353,
&end
#
# 25 TRP HB- 32 CYS HB3 4.50 (# 2720:20 Unique 2.11, 3.26 A)
&rst
ixpk= 2720, nxpk= 20, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 352, 353,
&end
#
# 25 TRP HD1 26 ALA HA 5.50 (# 2939:20 Unique 4.41, 4.65 A)
&rst
ixpk= 2939, nxpk= 20, iat= 356, 374, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HD1 26 ALA HN 3.50 (# 822:10 Unique 2.66, 2.84 A)
&rst
ixpk= 822, nxpk= 10, iat= 356, 372, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HD1 27 PRO HA 4.50 (# 30:20 Unique 3.00, 3.72 A)
&rst
ixpk= 30, nxpk= 20, iat= 356, 392, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HD1 32 CYS HB2 5.50 (# 2380:20 Unique 2.50, 3.05 A)
&rst
ixpk= 2380, nxpk= 20, iat= 356, 455, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 TRP HD1 32 CYS HB3 4.50 (# 2378:20 Unique 1.96, 2.10 A)
&rst
ixpk= 2378, nxpk= 20, iat= 356, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 TRP HE1 54 LYS HB- 5.50 (# 734:20 Unique 5.50, 6.37 A)
&rst
ixpk= 734, nxpk= 20, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 809, 810,
&end
#
# 25 TRP HE3 25 TRP HN 2.80 (# 190:10 Unique 2.13, 2.41 A)
&rst
ixpk= 190, nxpk= 10, iat= 367, 348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 TRP HE3 54 LYS HB+ 5.50 (# 2429:20 Unique 2.89, 3.88 A)
&rst
ixpk= 2429, nxpk= 20, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 809, 810,
&end
#
# 25 TRP HE3 55 ILE HN 2.80 (# 200:10 Unique 2.44, 2.53 A)
&rst
ixpk= 200, nxpk= 10, iat= 367, 827, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 25 TRP HH2 27 PRO HG- 4.50 (# 2439:20 Unique 4.55, 5.19 A)
&rst
ixpk= 2439, nxpk= 20, iat= 363, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 386, 387,
&end
#
# 25 TRP HN 55 ILE HN 3.50 (# 199:10 Unique 3.25, 3.41 A)
&rst
ixpk= 199, nxpk= 10, iat= 348, 827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE QG2 25 TRP HN 4.50 (# 815:10 Unique 3.93, 4.89 A)
&rst
ixpk= 815, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 833, 834, 835,
&end
#
# 56 ASP HA 25 TRP HN 4.50 (# 807:10 Unique 3.02, 3.14 A)
&rst
ixpk= 807, nxpk= 10, iat= 848, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL HN 25 TRP HN 3.50 (# 805:10 Unique 3.11, 3.28 A)
&rst
ixpk= 805, nxpk= 10, iat= 858, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL MGX 25 TRP HN 3.50 (# 812:10 Unique 2.79, 4.70 A)
&rst
ixpk= 812, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL MGY 25 TRP HN 4.50 (# 813:10 Unique 2.79, 4.70 A)
&rst
ixpk= 813, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 72 ILE QG2 25 TRP HN 4.50 (# 814:10 Unique 3.82, 4.80 A)
&rst
ixpk= 814, nxpk= 10, iat= -1, 348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1078,1079,1080,
&end
#
# 25 TRP HZ2 56 ASP HB+ 4.50 (# 2306:20 Unique 4.60, 5.49 A)
&rst
ixpk= 2306, nxpk= 20, iat= 361, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 850, 851,
&end
#
# 26 ALA HN 26 ALA HA 4.50 (# 2370:20 Unique 2.82, 2.85 A)
&rst
ixpk= 2370, nxpk= 20, iat= 372, 374, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 ALA HA 26 ALA MB 2.80 (# 1641:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1641, nxpk= 20, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 376, 377, 378,
&end
#
# 27 PRO HD- 26 ALA HA 2.80 (# 357:20 Unique 2.07, 2.52 A)
&rst
ixpk= 357, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 383, 384,
&end
#
# 26 ALA HA 57 VAL HN 5.50 (# 1044:10 Unique 3.73, 3.96 A)
&rst
ixpk= 1044, nxpk= 10, iat= 374, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 57 VAL MGY 26 ALA HA 5.50 (# 2940:20 Unique 3.96, 5.82 A)
&rst
ixpk= 2940, nxpk= 20, iat= -1, 374, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 26 ALA HA 58 ASP HN 5.50 (# 1056:10 Unique 4.12, 4.59 A)
&rst
ixpk= 1056, nxpk= 10, iat= 374, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA HN 26 ALA MB 4.50 (# 1659:20 Unique 2.96, 3.52 A)
&rst
ixpk= 1659, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 376, 377, 378,
&end
#
# 26 ALA HN 29 CYS HB2 3.50 (# 2422:20 Unique 4.74, 5.00 A)
&rst
ixpk= 2422, nxpk= 20, iat= 372, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 ALA HN 29 CYS HB3 3.20 (# 2421:20 Unique 3.23, 4.32 A)
&rst
ixpk= 2421, nxpk= 20, iat= 372, 425, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 26 ALA HN 29 CYS HN 5.50 (# 833:10 Unique 3.53, 3.84 A)
&rst
ixpk= 833, nxpk= 10, iat= 372, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 CYS HB2 26 ALA HN 5.50 (# 821:10 Unique 3.10, 3.99 A)
&rst
ixpk= 821, nxpk= 10, iat= 455, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA HN 32 CYS HB3 5.50 (# 2379:20 Unique 2.32, 3.39 A)
&rst
ixpk= 2379, nxpk= 20, iat= 372, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 26 ALA HN 72 ILE QD1 4.50 (# 1804:20 Unique 2.39, 3.52 A)
&rst
ixpk= 1804, nxpk= 20, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1085,1086,1087,
&end
#
# 27 PRO HD+ 26 ALA MB 3.50 (# 1642:20 Unique 2.55, 4.00 A)
&rst
ixpk= 1642, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 383, 384,
igr2= 376, 377, 378,
&end
#
# 27 PRO HD- 26 ALA MB 3.50 (# 1644:20 Unique 2.55, 4.00 A)
&rst
ixpk= 1644, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 383, 384,
igr2= 376, 377, 378,
&end
#
# 28 TRP HD1 26 ALA MB 3.50 (# 1640:20 Unique 2.30, 4.18 A)
&rst
ixpk= 1640, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 376, 377, 378,
&end
#
# 28 TRP HE1 26 ALA MB 2.80 (# 1646:20 Unique 2.87, 3.61 A)
&rst
ixpk= 1646, nxpk= 20, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 376, 377, 378,
&end
#
# 26 ALA MB 28 TRP HN 3.00 (# 831:10 Unique 2.56, 3.59 A)
&rst
ixpk= 831, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 376, 377, 378,
&end
#
# 29 CYS HN 26 ALA MB 5.50 (# 2468:20 Unique 3.02, 4.43 A)
&rst
ixpk= 2468, nxpk= 20, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 376, 377, 378,
&end
#
# 56 ASP HA 26 ALA MB 5.50 (# 2942:20 Unique 3.97, 5.01 A)
&rst
ixpk= 2942, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 376, 377, 378,
&end
#
# 57 VAL HN 26 ALA MB 5.50 (# 2241:20 Unique 3.16, 4.37 A)
&rst
ixpk= 2241, nxpk= 20, iat= 858, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 376, 377, 378,
&end
#
# 57 VAL MGX 26 ALA MB 5.50 (# 2841:20 Unique 2.28, 5.09 A)
&rst
ixpk= 2841, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 376, 377, 378,
&end
#
# 57 VAL MGY 26 ALA MB 2.80 (# 1645:20 Unique 2.28, 5.09 A)
&rst
ixpk= 1645, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 376, 377, 378,
&end
#
# 26 ALA MB 58 ASP HB- 5.50 (# 2937:20 Unique 3.40, 4.82 A)
&rst
ixpk= 2937, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 376, 377, 378,
igr2= 878, 879,
&end
#
# 26 ALA MB 58 ASP HN 4.50 (# 1050:10 Unique 3.04, 4.39 A)
&rst
ixpk= 1050, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 376, 377, 378,
&end
#
# 27 PRO HA 27 PRO HB+ 3.50 (# 892:20 Unique 2.24, 2.65 A)
&rst
ixpk= 892, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 389, 390,
&end
#
# 27 PRO HA 27 PRO HB- 2.80 (# 882:20 Unique 2.24, 2.65 A)
&rst
ixpk= 882, nxpk= 20, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 389, 390,
&end
#
# 27 PRO HA 28 TRP HN 3.50 (# 825:10 Unique 2.99, 3.44 A)
&rst
ixpk= 825, nxpk= 10, iat= 392, 396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 27 PRO HD+ 27 PRO HB+ 5.50 (# 2653:20 Unique 2.85, 3.70 A)
&rst
ixpk= 2653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 383, 384,
igr2= 389, 390,
&end
#
# 27 PRO HD- 27 PRO HB+ 5.50 (# 2704:20 Unique 2.85, 3.70 A)
&rst
ixpk= 2704, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 383, 384,
igr2= 389, 390,
&end
#
# 27 PRO HB+ 28 TRP HN 4.50 (# 830:10 Unique 2.65, 4.01 A)
&rst
ixpk= 830, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 389, 390,
&end
#
# 27 PRO HD+ 27 PRO HB- 5.50 (# 2610:20 Unique 2.85, 3.70 A)
&rst
ixpk= 2610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 383, 384,
igr2= 389, 390,
&end
#
# 27 PRO HD- 27 PRO HB- 5.50 (# 2703:20 Unique 2.85, 3.70 A)
&rst
ixpk= 2703, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 383, 384,
igr2= 389, 390,
&end
#
# 27 PRO HB- 27 PRO HG+ 2.80 (# 2711:20 Unique 2.36, 2.63 A)
&rst
ixpk= 2711, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 389, 390,
igr2= 386, 387,
&end
#
# 27 PRO HB- 27 PRO HG- 3.50 (# 1138:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1138, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 389, 390,
igr2= 386, 387,
&end
#
# 27 PRO HD+ 27 PRO HG+ 4.50 (# 1134:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1134, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 383, 384,
igr2= 386, 387,
&end
#
# 27 PRO HG- 27 PRO HD+ 3.50 (# 346:20 Unique 2.31, 2.61 A)
&rst
ixpk= 346, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 386, 387,
igr2= 383, 384,
&end
#
# 27 PRO HD+ 28 TRP HN 4.50 (# 827:10 Unique 2.98, 3.83 A)
&rst
ixpk= 827, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 383, 384,
&end
#
# 27 PRO HD- 27 PRO HG+ 4.50 (# 1135:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1135, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 383, 384,
igr2= 386, 387,
&end
#
# 27 PRO HG- 27 PRO HD- 3.50 (# 351:20 Unique 2.31, 2.61 A)
&rst
ixpk= 351, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 386, 387,
igr2= 383, 384,
&end
#
# 28 TRP HA 28 TRP HB+ 2.50 (# 1064:20 Unique 2.27, 2.45 A)
&rst
ixpk= 1064, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 400, 401,
&end
#
# 28 TRP HA 28 TRP HB- 2.50 (# 1061:20 Unique 2.27, 2.45 A)
&rst
ixpk= 1061, nxpk= 20, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
igr2= 400, 401,
&end
#
# 28 TRP HD1 28 TRP HB+ 2.60 (# 1063:20 Unique 2.43, 3.33 A)
&rst
ixpk= 1063, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 400, 401,
&end
#
# 28 TRP HB+ 28 TRP HN 2.80 (# 828:10 Unique 2.45, 3.28 A)
&rst
ixpk= 828, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 400, 401,
&end
#
# 28 TRP HD1 28 TRP HB- 2.60 (# 1060:20 Unique 2.43, 3.33 A)
&rst
ixpk= 1060, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 400, 401,
&end
#
# 28 TRP HB- 28 TRP HN 2.80 (# 826:10 Unique 2.45, 3.28 A)
&rst
ixpk= 826, nxpk= 10, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 400, 401,
&end
#
# 28 TRP HD1 28 TRP HN 3.00 (# 823:10 Unique 2.31, 3.53 A)
&rst
ixpk= 823, nxpk= 10, iat= 404, 396, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 28 TRP HD1 29 CYS HB2 5.50 (# 2934:20 Unique 3.92, 4.78 A)
&rst
ixpk= 2934, nxpk= 20, iat= 404, 424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HD1 57 VAL MGY 5.50 (# 2456:20 Unique 4.75, 7.81 A)
&rst
ixpk= 2456, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 28 TRP HD1 72 ILE QD1 4.50 (# 1802:20 Unique 3.06, 4.67 A)
&rst
ixpk= 1802, nxpk= 20, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1085,1086,1087,
&end
#
# 28 TRP HN 29 CYS HN 2.90 (# 832:10 Unique 1.90, 2.53 A)
&rst
ixpk= 832, nxpk= 10, iat= 396, 420, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 29 CYS HA 29 CYS HB2 3.00 (# 2558:20 Unique 2.20, 2.46 A)
&rst
ixpk= 2558, nxpk= 20, iat= 422, 424, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 CYS HA 29 CYS HB3 3.00 (# 2557:20 Unique 2.26, 2.42 A)
&rst
ixpk= 2557, nxpk= 20, iat= 422, 425, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 29 CYS HA 30 GLY HN 5.50 (# 844:10 Unique 2.17, 2.32 A)
&rst
ixpk= 844, nxpk= 10, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 29 CYS HB2 29 CYS HN 2.80 (# 836:10 Unique 3.06, 3.52 A)
&rst
ixpk= 836, nxpk= 10, iat= 424, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 29 CYS HB2 72 ILE QD1 3.50 (# 1807:20 Unique 2.60, 4.34 A)
&rst
ixpk= 1807, nxpk= 20, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1085,1086,1087,
&end
#
# 29 CYS HN 29 CYS HB3 2.50 (# 439:21 Single Ambig)
&rst
ixpk= 439, nxpk= 21, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 25 TRP HD1 29 CYS HB3 3.50 (# 439:22 Single Ambig)
&rst
ixpk= 439, nxpk= 22, iat= 356, 425, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 25 TRP HD1 29 CYS HB2 3.50 (# 2423:22 Single Ambig)
&rst
ixpk= 2423, nxpk= 22, iat= 356, 424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 29 CYS HN 29 CYS HB2 2.50 (# 2423:21 Single Ambig)
&rst
ixpk= 2423, nxpk= 21, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 32 CYS HB2 29 CYS HB3 3.80 (# 2559:20 Unique 2.63, 4.25 A)
&rst
ixpk= 2559, nxpk= 20, iat= 455, 425, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 CYS HB3 72 ILE QD1 4.50 (# 1806:20 Unique 2.40, 3.43 A)
&rst
ixpk= 1806, nxpk= 20, iat= 425, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1085,1086,1087,
&end
#
# 3 ILE HA 3 ILE HB 4.50 (# 2533:20 Unique 3.03, 3.05 A)
&rst
ixpk= 2533, nxpk= 20, iat= 33, 35, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE HA 3 ILE HG1+ 3.50 (# 2520:20 Unique 2.36, 2.89 A)
&rst
ixpk= 2520, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 41, 42,
&end
#
# 3 ILE HG1- 3 ILE HA 3.50 (# 118:20 Unique 2.36, 2.89 A)
&rst
ixpk= 118, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 41, 42,
&end
#
# 3 ILE HA 3 ILE HN 3.50 (# 653:10 Unique 2.92, 2.94 A)
&rst
ixpk= 653, nxpk= 10, iat= 33, 31, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HA 3 ILE QD1 4.50 (# 1890:20 Unique 3.75, 4.58 A)
&rst
ixpk= 1890, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 44, 45, 46,
&end
#
# 3 ILE QG2 3 ILE HA 2.80 (# 120:20 Unique 2.39, 3.20 A)
&rst
ixpk= 120, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 37, 38, 39,
&end
#
# 3 ILE HA 4 VAL HB 4.50 (# 2529:20 Unique 4.37, 4.50 A)
&rst
ixpk= 2529, nxpk= 20, iat= 33, 54, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 3 ILE HA 4 VAL HN 2.80 (# 59:10 Unique 2.01, 2.21 A)
&rst
ixpk= 59, nxpk= 10, iat= 33, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE HA 52 ILE HB 3.50 (# 628:20 Unique 2.17, 2.30 A)
&rst
ixpk= 628, nxpk= 20, iat= 33, 774, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 3 ILE HA 52 ILE HN 2.80 (# 772:10 Unique 2.45, 2.73 A)
&rst
ixpk= 772, nxpk= 10, iat= 33, 770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE HA 52 ILE QD1 5.50 (# 2494:20 Unique 4.24, 5.21 A)
&rst
ixpk= 2494, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 783, 784, 785,
&end
#
# 3 ILE HA 52 ILE QG2 5.50 (# 2502:20 Unique 3.63, 4.41 A)
&rst
ixpk= 2502, nxpk= 20, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 776, 777, 778,
&end
#
# 3 ILE HB 3 ILE HN 2.80 (# 158:10 Unique 2.33, 2.49 A)
&rst
ixpk= 158, nxpk= 10, iat= 35, 31, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 3 ILE QG2 3 ILE HB 2.80 (# 651:20 Unique 2.41, 2.67 A)
&rst
ixpk= 651, nxpk= 20, iat= -1, 35, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 37, 38, 39,
&end
#
# 3 ILE HN 3 ILE HG1+ 5.50 (# 2283:20 Unique 2.54, 3.50 A)
&rst
ixpk= 2283, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 41, 42,
&end
#
# 52 ILE HB 3 ILE HG1+ 3.50 (# 1133:20 Unique 2.12, 2.51 A)
&rst
ixpk= 1133, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 41, 42,
&end
#
# 3 ILE HN 3 ILE HG1- 4.50 (# 1124:20 Unique 2.54, 3.50 A)
&rst
ixpk= 1124, nxpk= 20, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 41, 42,
&end
#
# 3 ILE HG1- 3 ILE QD1 2.80 (# 1899:20 Unique 2.35, 2.65 A)
&rst
ixpk= 1899, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 41, 42,
igr2= 44, 45, 46,
&end
#
# 3 ILE HG1- 43 ASP HB+ 4.50 (# 2790:20 Unique 2.48, 4.02 A)
&rst
ixpk= 2790, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 41, 42,
igr2= 631, 632,
&end
#
# 3 ILE HG1- 43 ASP HB- 4.50 (# 2791:20 Unique 2.48, 4.02 A)
&rst
ixpk= 2791, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 41, 42,
igr2= 631, 632,
&end
#
# 3 ILE HG1- 52 ILE HB 4.50 (# 629:20 Unique 2.12, 2.51 A)
&rst
ixpk= 629, nxpk= 20, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 41, 42,
&end
#
# 3 ILE QD1 3 ILE HN 2.80 (# 651:10 Unique 2.20, 3.69 A)
&rst
ixpk= 651, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 44, 45, 46,
&end
#
# 3 ILE QG2 3 ILE HN 4.50 (# 650:10 Unique 4.35, 4.61 A)
&rst
ixpk= 650, nxpk= 10, iat= -1, 31, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 37, 38, 39,
&end
#
# 52 ILE HB 3 ILE HN 5.50 (# 652:10 Unique 4.25, 4.54 A)
&rst
ixpk= 652, nxpk= 10, iat= 774, 31, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HB- 3 ILE QD1 5.50 (# 1897:20 Unique 3.13, 4.69 A)
&rst
ixpk= 1897, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 563, 564,
igr2= 44, 45, 46,
&end
#
# 40 GLU HA 3 ILE QD1 2.80 (# 1891:20 Unique 2.07, 2.99 A)
&rst
ixpk= 1891, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 44, 45, 46,
&end
#
# 40 GLU HG+ 3 ILE QD1 4.50 (# 1894:20 Unique 2.27, 3.21 A)
&rst
ixpk= 1894, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 585, 586,
igr2= 44, 45, 46,
&end
#
# 40 GLU HG- 3 ILE QD1 4.50 (# 1895:20 Unique 2.27, 3.21 A)
&rst
ixpk= 1895, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 585, 586,
igr2= 44, 45, 46,
&end
#
# 40 GLU HN 3 ILE QD1 5.50 (# 2462:20 Unique 3.03, 4.53 A)
&rst
ixpk= 2462, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 43 ASP HB+ 3 ILE QD1 3.50 (# 1893:20 Unique 2.43, 4.04 A)
&rst
ixpk= 1893, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632,
igr2= 44, 45, 46,
&end
#
# 43 ASP HB- 3 ILE QD1 3.50 (# 1892:20 Unique 2.43, 4.04 A)
&rst
ixpk= 1892, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632,
igr2= 44, 45, 46,
&end
#
# 43 ASP HN 3 ILE QD1 5.50 (# 2260:20 Unique 3.63, 5.24 A)
&rst
ixpk= 2260, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 44, 45, 46,
&end
#
# 4 VAL HA 3 ILE QG2 5.50 (# 2501:20 Unique 3.80, 4.96 A)
&rst
ixpk= 2501, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 37, 38, 39,
&end
#
# 3 ILE QG2 4 VAL HN 2.80 (# 58:10 Unique 2.44, 3.21 A)
&rst
ixpk= 58, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 37, 38, 39,
&end
#
# 52 ILE HB 3 ILE QG2 3.50 (# 1777:20 Unique 2.44, 3.80 A)
&rst
ixpk= 1777, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 37, 38, 39,
&end
#
# 54 LYS HD- 3 ILE QG2 3.50 (# 1780:20 Unique 2.49, 3.81 A)
&rst
ixpk= 1780, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 815, 816,
igr2= 37, 38, 39,
&end
#
# 54 LYS HE+ 3 ILE QG2 4.50 (# 1776:20 Unique 2.60, 5.45 A)
&rst
ixpk= 1776, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 818, 819,
igr2= 37, 38, 39,
&end
#
# 54 LYS HG+ 3 ILE QG2 3.50 (# 1779:20 Unique 6.84, 9.08 A)
&rst
ixpk= 1779, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 812, 813,
igr2= 37, 38, 39,
&end
#
# 30 GLY HA+ 31 PRO HD+ 3.50 (# 336:20 Unique 2.15, 3.44 A)
&rst
ixpk= 336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 432, 433,
igr2= 438, 439,
&end
#
# 31 PRO HD- 30 GLY HA+ 3.50 (# 381:20 Unique 2.15, 3.44 A)
&rst
ixpk= 381, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 438, 439,
igr2= 432, 433,
&end
#
# 31 PRO HG- 30 GLY HA+ 5.50 (# 2772:20 Unique 4.34, 5.37 A)
&rst
ixpk= 2772, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 441, 442,
igr2= 432, 433,
&end
#
# 33 LYS HG+ 30 GLY HA+ 5.50 (# 2771:20 Unique 2.35, 4.97 A)
&rst
ixpk= 2771, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 468, 469,
igr2= 432, 433,
&end
#
# 31 PRO HD- 30 GLY HA- 3.50 (# 383:20 Unique 2.15, 3.44 A)
&rst
ixpk= 383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 438, 439,
igr2= 432, 433,
&end
#
# 33 LYS HB+ 30 GLY HA- 5.50 (# 2773:20 Unique 3.32, 5.57 A)
&rst
ixpk= 2773, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 465, 466,
igr2= 432, 433,
&end
#
# 33 LYS HB- 30 GLY HA- 5.50 (# 2770:20 Unique 3.32, 5.57 A)
&rst
ixpk= 2770, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 465, 466,
igr2= 432, 433,
&end
#
# 33 LYS HE+ 30 GLY HA- 5.50 (# 2721:20 Unique 2.21, 4.75 A)
&rst
ixpk= 2721, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 474, 475,
igr2= 432, 433,
&end
#
# 30 GLY HA- 33 LYS HE- 4.50 (# 2590:20 Unique 2.21, 4.75 A)
&rst
ixpk= 2590, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 432, 433,
igr2= 474, 475,
&end
#
# 33 LYS HG+ 30 GLY HA- 4.50 (# 2769:20 Unique 2.35, 4.97 A)
&rst
ixpk= 2769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 468, 469,
igr2= 432, 433,
&end
#
# 33 LYS HN 30 GLY HA- 5.50 (# 2346:20 Unique 3.39, 4.27 A)
&rst
ixpk= 2346, nxpk= 20, iat= 461, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 432, 433,
&end
#
# 31 PRO HA 31 PRO HB+ 3.50 (# 960:20 Unique 2.25, 2.64 A)
&rst
ixpk= 960, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 444, 445,
&end
#
# 31 PRO HA 31 PRO HB- 2.80 (# 940:20 Unique 2.25, 2.64 A)
&rst
ixpk= 940, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 444, 445,
&end
#
# 31 PRO HG- 31 PRO HA 4.50 (# 48:20 Unique 2.80, 3.56 A)
&rst
ixpk= 48, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 441, 442,
&end
#
# 32 CYS HN 31 PRO HA 5.50 (# 2081:20 Unique 3.42, 3.51 A)
&rst
ixpk= 2081, nxpk= 20, iat= 451, 447, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 31 PRO HA 34 MET HB+ 4.50 (# 2528:20 Unique 2.11, 3.17 A)
&rst
ixpk= 2528, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 487, 488,
&end
#
# 34 MET HB- 31 PRO HA 3.50 (# 49:20 Unique 2.11, 3.17 A)
&rst
ixpk= 49, nxpk= 20, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 487, 488,
&end
#
# 31 PRO HA 34 MET HG+ 4.50 (# 2652:20 Unique 2.21, 3.21 A)
&rst
ixpk= 2652, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 490, 491,
&end
#
# 34 MET HN 31 PRO HA 3.50 (# 45:20 Unique 2.54, 2.94 A)
&rst
ixpk= 45, nxpk= 20, iat= 483, 447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 31 PRO HA 34 MET ME 5.50 (# 2499:20 Unique 2.19, 4.48 A)
&rst
ixpk= 2499, nxpk= 20, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 494, 495, 496,
&end
#
# 31 PRO HD+ 31 PRO HB+ 5.50 (# 2651:20 Unique 2.84, 3.69 A)
&rst
ixpk= 2651, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 438, 439,
igr2= 444, 445,
&end
#
# 32 CYS HN 31 PRO HB+ 5.50 (# 2292:20 Unique 2.79, 3.71 A)
&rst
ixpk= 2292, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 444, 445,
&end
#
# 73 PRO HD- 31 PRO HB+ 4.50 (# 961:20 Unique 2.23, 3.59 A)
&rst
ixpk= 961, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1092,1093,
igr2= 444, 445,
&end
#
# 90 PHE HB- 31 PRO HB+ 5.50 (# 2706:20 Unique 2.29, 3.67 A)
&rst
ixpk= 2706, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1347,1348,
igr2= 444, 445,
&end
#
# 31 PRO HB- 31 PRO HD+ 5.50 (# 2735:20 Unique 2.84, 3.69 A)
&rst
ixpk= 2735, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 444, 445,
igr2= 438, 439,
&end
#
# 31 PRO HB- 31 PRO HD- 5.50 (# 2736:20 Unique 2.84, 3.69 A)
&rst
ixpk= 2736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 444, 445,
igr2= 438, 439,
&end
#
# 31 PRO HB- 31 PRO HG+ 3.50 (# 1108:20 Unique 2.36, 2.63 A)
&rst
ixpk= 1108, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 444, 445,
igr2= 441, 442,
&end
#
# 31 PRO HB- 32 CYS HN 5.50 (# 848:10 Unique 2.79, 3.71 A)
&rst
ixpk= 848, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 444, 445,
&end
#
# 73 PRO HD+ 31 PRO HB- 4.50 (# 2612:20 Unique 2.23, 3.59 A)
&rst
ixpk= 2612, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1092,1093,
igr2= 444, 445,
&end
#
# 73 PRO HD- 31 PRO HB- 4.50 (# 2611:20 Unique 2.23, 3.59 A)
&rst
ixpk= 2611, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1092,1093,
igr2= 444, 445,
&end
#
# 90 PHE HB+ 31 PRO HB- 4.50 (# 2719:20 Unique 2.29, 3.67 A)
&rst
ixpk= 2719, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1347,1348,
igr2= 444, 445,
&end
#
# 90 PHE HB- 31 PRO HB- 4.50 (# 941:20 Unique 2.29, 3.67 A)
&rst
ixpk= 941, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1347,1348,
igr2= 444, 445,
&end
#
# 31 PRO HB- 90 PHE HN 4.50 (# 1215:10 Unique 3.46, 4.39 A)
&rst
ixpk= 1215, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 444, 445,
&end
#
# 31 PRO HD+ 31 PRO HG+ 3.50 (# 1106:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1106, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 438, 439,
igr2= 441, 442,
&end
#
# 31 PRO HG- 31 PRO HD+ 3.50 (# 339:20 Unique 2.31, 2.61 A)
&rst
ixpk= 339, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 441, 442,
igr2= 438, 439,
&end
#
# 32 CYS HN 31 PRO HD+ 5.50 (# 2349:20 Unique 2.65, 3.47 A)
&rst
ixpk= 2349, nxpk= 20, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 438, 439,
&end
#
# 31 PRO HG+ 31 PRO HD- 3.50 (# 342:20 Unique 2.31, 2.61 A)
&rst
ixpk= 342, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 441, 442,
igr2= 438, 439,
&end
#
# 31 PRO HD- 31 PRO HG- 3.50 (# 1112:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1112, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 438, 439,
igr2= 441, 442,
&end
#
# 31 PRO HD- 32 CYS HN 3.50 (# 850:10 Unique 2.65, 3.47 A)
&rst
ixpk= 850, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 438, 439,
&end
#
# 31 PRO HG+ 32 CYS HN 5.50 (# 849:10 Unique 2.75, 4.35 A)
&rst
ixpk= 849, nxpk= 10, iat= -1, 451, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 441, 442,
&end
#
# 31 PRO HG+ 73 PRO HD+ 5.50 (# 2727:20 Unique 2.30, 4.24 A)
&rst
ixpk= 2727, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 441, 442,
igr2=1092,1093,
&end
#
# 31 PRO HG+ 73 PRO HD- 5.50 (# 2728:20 Unique 2.30, 4.24 A)
&rst
ixpk= 2728, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 441, 442,
igr2=1092,1093,
&end
#
# 73 PRO HD- 31 PRO HG- 4.50 (# 2617:20 Unique 2.30, 4.24 A)
&rst
ixpk= 2617, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1092,1093,
igr2= 441, 442,
&end
#
# 32 CYS HA 32 CYS HB2 3.50 (# 718:20 Unique 3.03, 3.04 A)
&rst
ixpk= 718, nxpk= 20, iat= 453, 455, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HA 32 CYS HB3 3.50 (# 720:20 Unique 2.41, 2.50 A)
&rst
ixpk= 720, nxpk= 20, iat= 453, 456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HN 32 CYS HA 4.50 (# 93:20 Unique 2.79, 2.82 A)
&rst
ixpk= 93, nxpk= 20, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 33 LYS HN 32 CYS HA 5.50 (# 2108:20 Unique 3.53, 3.58 A)
&rst
ixpk= 2108, nxpk= 20, iat= 461, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HN 32 CYS HA 5.50 (# 2110:20 Unique 4.12, 4.57 A)
&rst
ixpk= 2110, nxpk= 20, iat= 483, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 ILE HN 32 CYS HA 5.50 (# 2109:20 Unique 3.26, 3.84 A)
&rst
ixpk= 2109, nxpk= 20, iat= 500, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 CYS HA 35 ILE QG2 3.50 (# 1791:20 Unique 2.23, 3.23 A)
&rst
ixpk= 1791, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 506, 507, 508,
&end
#
# 73 PRO HB+ 32 CYS HA 5.50 (# 2113:20 Unique 2.18, 3.21 A)
&rst
ixpk= 2113, nxpk= 20, iat= -1, 453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1098,1099,
&end
#
# 32 CYS HA 73 PRO HB- 5.50 (# 2550:20 Unique 2.18, 3.21 A)
&rst
ixpk= 2550, nxpk= 20, iat= 453, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1098,1099,
&end
#
# 32 CYS HB2 32 CYS HN 2.80 (# 585:10 Unique 2.20, 2.41 A)
&rst
ixpk= 585, nxpk= 10, iat= 455, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 CYS HB2 33 LYS HN 3.50 (# 856:10 Unique 2.59, 2.84 A)
&rst
ixpk= 856, nxpk= 10, iat= 455, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 32 CYS HN 32 CYS HB3 5.50 (# 2321:20 Unique 3.45, 3.51 A)
&rst
ixpk= 2321, nxpk= 20, iat= 451, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 CYS HB3 33 LYS HE- 4.50 (# 502:20 Unique 3.32, 5.03 A)
&rst
ixpk= 502, nxpk= 20, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 474, 475,
&end
#
# 33 LYS HN 32 CYS HB3 5.50 (# 2320:20 Unique 3.48, 3.79 A)
&rst
ixpk= 2320, nxpk= 20, iat= 461, 456, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS HA 32 CYS HN 5.50 (# 851:10 Unique 5.20, 5.40 A)
&rst
ixpk= 851, nxpk= 10, iat= 463, 451, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS HN 32 CYS HN 2.80 (# 584:10 Unique 2.55, 2.80 A)
&rst
ixpk= 584, nxpk= 10, iat= 461, 451, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 32 CYS HN 34 MET HN 5.50 (# 863:10 Unique 3.81, 4.10 A)
&rst
ixpk= 863, nxpk= 10, iat= 451, 483, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS HB- 33 LYS HA 2.80 (# 189:20 Unique 2.33, 2.64 A)
&rst
ixpk= 189, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 465, 466,
&end
#
# 33 LYS HG+ 33 LYS HA 3.50 (# 190:20 Unique 2.31, 3.30 A)
&rst
ixpk= 190, nxpk= 20, iat= -1, 463, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 468, 469,
&end
#
# 33 LYS HA 33 LYS HG- 3.50 (# 1236:20 Unique 2.31, 3.30 A)
&rst
ixpk= 1236, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 468, 469,
&end
#
# 33 LYS HA 33 LYS HN 2.80 (# 193:10 Unique 2.86, 2.93 A)
&rst
ixpk= 193, nxpk= 10, iat= 463, 461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 33 LYS HA 34 MET HN 4.50 (# 864:10 Unique 3.53, 3.56 A)
&rst
ixpk= 864, nxpk= 10, iat= 463, 483, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE HN 33 LYS HA 5.50 (# 2924:20 Unique 3.95, 4.29 A)
&rst
ixpk= 2924, nxpk= 20, iat= 500, 463, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LYS HA 36 ALA HN 3.50 (# 884:10 Unique 2.85, 3.30 A)
&rst
ixpk= 884, nxpk= 10, iat= 463, 519, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LYS HA 36 ALA MB 3.50 (# 1842:20 Unique 2.37, 3.50 A)
&rst
ixpk= 1842, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 523, 524, 525,
&end
#
# 33 LYS HA 37 PRO HD+ 5.50 (# 2583:20 Unique 4.10, 4.80 A)
&rst
ixpk= 2583, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 33 LYS HA 37 PRO HD- 5.50 (# 2584:20 Unique 4.10, 4.80 A)
&rst
ixpk= 2584, nxpk= 20, iat= 463, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 33 LYS HB+ 33 LYS HG+ 2.80 (# 1235:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1235, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 465, 466,
igr2= 468, 469,
&end
#
# 33 LYS HG- 33 LYS HB+ 2.80 (# 928:20 Unique 2.25, 2.72 A)
&rst
ixpk= 928, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 468, 469,
igr2= 465, 466,
&end
#
# 33 LYS HB+ 33 LYS HN 2.80 (# 195:10 Unique 2.32, 3.16 A)
&rst
ixpk= 195, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 465, 466,
&end
#
# 34 MET HN 33 LYS HB+ 4.50 (# 2337:20 Unique 2.70, 3.61 A)
&rst
ixpk= 2337, nxpk= 20, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 465, 466,
&end
#
# 33 LYS HB- 33 LYS HD+ 2.80 (# 1067:20 Unique 2.42, 3.21 A)
&rst
ixpk= 1067, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 465, 466,
igr2= 471, 472,
&end
#
# 33 LYS HB- 33 LYS HG+ 2.80 (# 1234:20 Unique 2.25, 2.72 A)
&rst
ixpk= 1234, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 465, 466,
igr2= 468, 469,
&end
#
# 33 LYS HG- 33 LYS HB- 2.80 (# 925:20 Unique 2.25, 2.72 A)
&rst
ixpk= 925, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 468, 469,
igr2= 465, 466,
&end
#
# 33 LYS HB- 33 LYS HN 2.80 (# 194:10 Unique 2.32, 3.16 A)
&rst
ixpk= 194, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 465, 466,
&end
#
# 34 MET HN 33 LYS HB- 4.50 (# 922:20 Unique 2.70, 3.61 A)
&rst
ixpk= 922, nxpk= 20, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 465, 466,
&end
#
# 33 LYS HE- 33 LYS HG+ 5.50 (# 2712:20 Unique 2.26, 3.13 A)
&rst
ixpk= 2712, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 474, 475,
igr2= 468, 469,
&end
#
# 33 LYS HG+ 33 LYS HN 2.80 (# 196:10 Unique 2.02, 3.05 A)
&rst
ixpk= 196, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 468, 469,
&end
#
# 33 LYS HG+ 34 MET HN 4.50 (# 866:10 Unique 2.31, 4.18 A)
&rst
ixpk= 866, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 468, 469,
&end
#
# 33 LYS HG- 33 LYS HN 4.50 (# 861:10 Unique 2.02, 3.05 A)
&rst
ixpk= 861, nxpk= 10, iat= -1, 461, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 468, 469,
&end
#
# 33 LYS HN 34 MET HN 2.80 (# 443:10 Unique 2.08, 2.33 A)
&rst
ixpk= 443, nxpk= 10, iat= 461, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE HN 33 LYS HN 5.50 (# 862:10 Unique 3.72, 4.02 A)
&rst
ixpk= 862, nxpk= 10, iat= 500, 461, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HB+ 34 MET HA 2.80 (# 241:20 Unique 2.25, 2.74 A)
&rst
ixpk= 241, nxpk= 20, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 487, 488,
&end
#
# 34 MET HA 34 MET HB- 4.50 (# 859:20 Unique 2.25, 2.74 A)
&rst
ixpk= 859, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 487, 488,
&end
#
# 34 MET HA 34 MET HG+ 3.50 (# 917:20 Unique 2.40, 3.04 A)
&rst
ixpk= 917, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 490, 491,
&end
#
# 34 MET HA 34 MET HG- 3.50 (# 945:20 Unique 2.40, 3.04 A)
&rst
ixpk= 945, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 490, 491,
&end
#
# 34 MET HA 34 MET HN 2.80 (# 446:10 Unique 2.81, 2.84 A)
&rst
ixpk= 446, nxpk= 10, iat= 485, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 MET HA 34 MET ME 5.50 (# 2618:20 Unique 3.00, 5.40 A)
&rst
ixpk= 2618, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 494, 495, 496,
&end
#
# 36 ALA HN 34 MET HA 5.50 (# 2925:20 Unique 3.74, 4.09 A)
&rst
ixpk= 2925, nxpk= 20, iat= 519, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 34 MET HA 37 PRO HD+ 4.50 (# 2581:20 Unique 3.19, 4.02 A)
&rst
ixpk= 2581, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 530, 531,
&end
#
# 34 MET HA 37 PRO HD- 5.50 (# 2582:20 Unique 3.19, 4.02 A)
&rst
ixpk= 2582, nxpk= 20, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 530, 531,
&end
#
# 34 MET HG+ 34 MET HB+ 3.50 (# 865:20 Unique 2.38, 2.72 A)
&rst
ixpk= 865, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 490, 491,
igr2= 487, 488,
&end
#
# 34 MET HB+ 34 MET HN 2.80 (# 449:10 Unique 2.27, 3.09 A)
&rst
ixpk= 449, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 487, 488,
&end
#
# 34 MET HB+ 35 ILE HN 3.50 (# 871:10 Unique 2.59, 3.28 A)
&rst
ixpk= 871, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 487, 488,
&end
#
# 90 PHE HD 34 MET HB+ 5.50 (# 2394:20 Unique 2.50, 5.39 A)
&rst
ixpk= 2394, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1351,1359,
igr2= 487, 488,
&end
#
# 90 PHE HE 34 MET HB+ 5.50 (# 2396:20 Unique 2.77, 5.04 A)
&rst
ixpk= 2396, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2= 487, 488,
&end
#
# 34 MET HB- 34 MET HN 2.80 (# 448:10 Unique 2.27, 3.09 A)
&rst
ixpk= 448, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 487, 488,
&end
#
# 90 PHE HD 34 MET HB- 5.50 (# 2393:20 Unique 2.50, 5.39 A)
&rst
ixpk= 2393, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1351,1359,
igr2= 487, 488,
&end
#
# 90 PHE HE 34 MET HB- 5.50 (# 2395:20 Unique 2.77, 5.04 A)
&rst
ixpk= 2395, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2= 487, 488,
&end
#
# 34 MET HG+ 34 MET HN 2.80 (# 450:10 Unique 2.05, 2.85 A)
&rst
ixpk= 450, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 490, 491,
&end
#
# 90 PHE HE 34 MET HG+ 5.50 (# 2392:20 Unique 2.70, 7.00 A)
&rst
ixpk= 2392, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2= 490, 491,
&end
#
# 34 MET HG- 34 MET HN 3.50 (# 447:10 Unique 2.05, 2.85 A)
&rst
ixpk= 447, nxpk= 10, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 490, 491,
&end
#
# 34 MET HG- 34 MET ME 5.50 (# 1815:20 Unique 2.55, 3.42 A)
&rst
ixpk= 1815, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 490, 491,
igr2= 494, 495, 496,
&end
#
# 34 MET HG- 35 ILE HN 5.50 (# 872:10 Unique 2.58, 4.62 A)
&rst
ixpk= 872, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 490, 491,
&end
#
# 35 ILE HN 34 MET HN 2.80 (# 444:10 Unique 2.61, 2.75 A)
&rst
ixpk= 444, nxpk= 10, iat= 500, 483, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 34 MET HN 35 ILE QG2 5.50 (# 2266:20 Unique 4.23, 5.46 A)
&rst
ixpk= 2266, nxpk= 20, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 506, 507, 508,
&end
#
# 34 MET HN 36 ALA HN 4.50 (# 120:10 Unique 3.98, 4.10 A)
&rst
ixpk= 120, nxpk= 10, iat= 483, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 35 ILE QG2 34 MET ME 4.50 (# 1820:20 Unique 6.47, 9.62 A)
&rst
ixpk= 1820, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 506, 507, 508,
igr2= 494, 495, 496,
&end
#
# 90 PHE HD 34 MET ME 5.50 (# 2460:20 Unique 2.91, 7.75 A)
&rst
ixpk= 2460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1351,1359,
igr2= 494, 495, 496,
&end
#
# 90 PHE HE 34 MET ME 5.50 (# 1814:20 Unique 3.41, 7.79 A)
&rst
ixpk= 1814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1353,1357,
igr2= 494, 495, 496,
&end
#
# 35 ILE HA 35 ILE HB 3.50 (# 619:20 Unique 2.50, 2.53 A)
&rst
ixpk= 619, nxpk= 20, iat= 502, 504, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 35 ILE HA 35 ILE HG1+ 4.50 (# 1018:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1018, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 510, 511,
&end
#
# 35 ILE HA 35 ILE HG1- 3.50 (# 1013:20 Unique 2.22, 2.63 A)
&rst
ixpk= 1013, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 510, 511,
&end
#
# 35 ILE HA 35 ILE HN 2.80 (# 439:10 Unique 2.84, 2.87 A)
&rst
ixpk= 439, nxpk= 10, iat= 502, 500, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE HA 35 ILE QG2 4.50 (# 1792:20 Unique 3.74, 3.95 A)
&rst
ixpk= 1792, nxpk= 20, iat= 502, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 506, 507, 508,
&end
#
# 35 ILE HA 38 VAL HB 2.80 (# 966:20 Unique 2.81, 2.84 A)
&rst
ixpk= 966, nxpk= 20, iat= 502, 547, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL HN 35 ILE HA 5.50 (# 2121:20 Unique 3.16, 3.31 A)
&rst
ixpk= 2121, nxpk= 20, iat= 543, 502, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL MGX 35 ILE HA 4.50 (# 105:20 Unique 2.37, 4.05 A)
&rst
ixpk= 105, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL MGY 35 ILE HA 3.50 (# 103:20 Unique 2.37, 4.05 A)
&rst
ixpk= 103, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 90 PHE HD 35 ILE HA 4.50 (# 2122:20 Unique 3.21, 5.39 A)
&rst
ixpk= 2122, nxpk= 20, iat= -1, 502, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1351,1359,
&end
#
# 35 ILE HB 35 ILE HG1+ 4.50 (# 1019:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1019, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 510, 511,
&end
#
# 35 ILE HG1- 35 ILE HB 3.50 (# 620:20 Unique 2.45, 2.77 A)
&rst
ixpk= 620, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 510, 511,
&end
#
# 35 ILE HN 35 ILE HB 2.80 (# 617:20 Unique 2.29, 2.34 A)
&rst
ixpk= 617, nxpk= 20, iat= 500, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 35 ILE QD1 35 ILE HB 2.80 (# 2859:20 Unique 2.41, 3.10 A)
&rst
ixpk= 2859, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 513, 514, 515,
&end
#
# 35 ILE HB 35 ILE QG2 2.80 (# 1794:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1794, nxpk= 20, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 506, 507, 508,
&end
#
# 90 PHE HA 35 ILE HB 5.50 (# 2661:20 Unique 3.23, 3.86 A)
&rst
ixpk= 2661, nxpk= 20, iat=1345, 504, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PHE HD 35 ILE HB 3.50 (# 618:20 Unique 2.20, 4.24 A)
&rst
ixpk= 618, nxpk= 20, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1351,1359,
&end
#
# 35 ILE HG1+ 35 ILE HN 4.50 (# 868:10 Unique 4.22, 4.46 A)
&rst
ixpk= 868, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 510, 511,
&end
#
# 35 ILE HG1+ 35 ILE QD1 3.50 (# 1883:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1883, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 510, 511,
igr2= 513, 514, 515,
&end
#
# 35 ILE HG1+ 35 ILE QG2 3.50 (# 1797:20 Unique 2.50, 3.57 A)
&rst
ixpk= 1797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 510, 511,
igr2= 506, 507, 508,
&end
#
# 35 ILE HG1+ 38 VAL HB 4.50 (# 2808:20 Unique 2.55, 2.86 A)
&rst
ixpk= 2808, nxpk= 20, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 510, 511,
&end
#
# 35 ILE HG1+ 38 VAL MGY 2.80 (# 1460:20 Unique 2.96, 4.66 A)
&rst
ixpk= 1460, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 510, 511,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 35 ILE HG1+ 75 LEU MDX 3.50 (# 1218:20 Unique 4.16, 5.81 A)
&rst
ixpk= 1218, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 510, 511,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 35 ILE HG1+ 90 PHE HA 5.50 (# 2132:20 Unique 3.77, 4.92 A)
&rst
ixpk= 2132, nxpk= 20, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 90 PHE HD 35 ILE HG1+ 5.50 (# 2436:20 Unique 3.32, 5.62 A)
&rst
ixpk= 2436, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1351,1359,
igr2= 510, 511,
&end
#
# 35 ILE HG1- 35 ILE QD1 2.80 (# 1882:20 Unique 2.39, 2.66 A)
&rst
ixpk= 1882, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 510, 511,
igr2= 513, 514, 515,
&end
#
# 35 ILE HG1- 38 VAL HB 4.50 (# 2809:20 Unique 2.55, 2.86 A)
&rst
ixpk= 2809, nxpk= 20, iat= -1, 547, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 510, 511,
&end
#
# 35 ILE HG1- 38 VAL MGY 3.50 (# 1459:20 Unique 2.96, 4.66 A)
&rst
ixpk= 1459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 510, 511,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 90 PHE HD 35 ILE HG1- 5.50 (# 2435:20 Unique 3.32, 5.62 A)
&rst
ixpk= 2435, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1351,1359,
igr2= 510, 511,
&end
#
# 90 PHE HE 35 ILE HG1- 5.50 (# 2434:20 Unique 2.78, 5.32 A)
&rst
ixpk= 2434, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2= 510, 511,
&end
#
# 35 ILE HG1- 91 LYS HN 5.50 (# 1223:10 Unique 3.20, 4.29 A)
&rst
ixpk= 1223, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 510, 511,
&end
#
# 35 ILE QG2 35 ILE HN 2.80 (# 441:10 Unique 2.27, 3.23 A)
&rst
ixpk= 441, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 506, 507, 508,
&end
#
# 35 ILE HN 36 ALA HN 2.80 (# 119:10 Unique 2.59, 2.69 A)
&rst
ixpk= 119, nxpk= 10, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 ALA MB 35 ILE HN 5.50 (# 867:10 Unique 4.86, 5.43 A)
&rst
ixpk= 867, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 523, 524, 525,
&end
#
# 90 PHE HD 35 ILE HN 4.50 (# 876:10 Unique 2.97, 5.53 A)
&rst
ixpk= 876, nxpk= 10, iat= -1, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1351,1359,
&end
#
# 35 ILE QD1 90 PHE HA 2.80 (# 145:20 Unique 2.19, 3.31 A)
&rst
ixpk= 145, nxpk= 20, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 513, 514, 515,
&end
#
# 90 PHE HD 35 ILE QD1 4.50 (# 1877:20 Unique 2.60, 5.26 A)
&rst
ixpk= 1877, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1351,1359,
igr2= 513, 514, 515,
&end
#
# 91 LYS HB- 35 ILE QD1 4.50 (# 1884:20 Unique 2.68, 4.82 A)
&rst
ixpk= 1884, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1367,1368,
igr2= 513, 514, 515,
&end
#
# 35 ILE QD1 91 LYS HN 2.80 (# 82:10 Unique 2.12, 3.26 A)
&rst
ixpk= 82, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 513, 514, 515,
&end
#
# 36 ALA HA 35 ILE QG2 4.50 (# 1793:20 Unique 3.40, 4.27 A)
&rst
ixpk= 1793, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 506, 507, 508,
&end
#
# 35 ILE QG2 36 ALA HN 3.50 (# 125:10 Unique 2.66, 3.62 A)
&rst
ixpk= 125, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 506, 507, 508,
&end
#
# 35 ILE QG2 36 ALA MB 4.50 (# 1847:20 Unique 4.13, 5.59 A)
&rst
ixpk= 1847, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 506, 507, 508,
igr2= 523, 524, 525,
&end
#
# 35 ILE QG2 39 LEU HN 4.50 (# 900:10 Unique 4.32, 5.45 A)
&rst
ixpk= 900, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 506, 507, 508,
&end
#
# 73 PRO HB+ 35 ILE QG2 4.50 (# 1795:20 Unique 2.54, 4.05 A)
&rst
ixpk= 1795, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1098,1099,
igr2= 506, 507, 508,
&end
#
# 73 PRO HB- 35 ILE QG2 5.50 (# 2683:20 Unique 2.54, 4.05 A)
&rst
ixpk= 2683, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1098,1099,
igr2= 506, 507, 508,
&end
#
# 90 PHE HD 35 ILE QG2 5.50 (# 2459:20 Unique 4.05, 6.62 A)
&rst
ixpk= 2459, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1351,1359,
igr2= 506, 507, 508,
&end
#
# 36 ALA HA 36 ALA HN 2.80 (# 121:10 Unique 2.73, 2.79 A)
&rst
ixpk= 121, nxpk= 10, iat= 521, 519, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 36 ALA HA 36 ALA MB 2.80 (# 1843:20 Unique 2.40, 2.64 A)
&rst
ixpk= 1843, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 523, 524, 525,
&end
#
# 36 ALA HA 39 LEU MDY 3.50 (# 1208:20 Unique 2.44, 4.77 A)
&rst
ixpk= 1208, nxpk= 20, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 36 ALA MB 36 ALA HN 2.80 (# 124:10 Unique 2.49, 2.92 A)
&rst
ixpk= 124, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 523, 524, 525,
&end
#
# 36 ALA HN 37 PRO HD+ 3.50 (# 359:20 Unique 2.31, 3.06 A)
&rst
ixpk= 359, nxpk= 20, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 530, 531,
&end
#
# 37 PRO HD- 36 ALA HN 3.50 (# 122:10 Unique 2.31, 3.06 A)
&rst
ixpk= 122, nxpk= 10, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 530, 531,
&end
#
# 38 VAL HN 36 ALA HN 5.50 (# 887:10 Unique 4.00, 4.13 A)
&rst
ixpk= 887, nxpk= 10, iat= 543, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ALA MB 37 PRO HD+ 3.50 (# 363:20 Unique 2.31, 3.47 A)
&rst
ixpk= 363, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 523, 524, 525,
igr2= 530, 531,
&end
#
# 37 PRO HD- 36 ALA MB 2.80 (# 1844:20 Unique 2.31, 3.47 A)
&rst
ixpk= 1844, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 530, 531,
igr2= 523, 524, 525,
&end
#
# 36 ALA MB 37 PRO HG+ 4.50 (# 2816:20 Unique 4.58, 5.65 A)
&rst
ixpk= 2816, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 523, 524, 525,
igr2= 533, 534,
&end
#
# 39 LEU HN 36 ALA MB 5.50 (# 2264:20 Unique 5.20, 5.47 A)
&rst
ixpk= 2264, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 523, 524, 525,
&end
#
# 37 PRO HA 37 PRO HB+ 3.50 (# 983:20 Unique 2.28, 2.53 A)
&rst
ixpk= 983, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 536, 537,
&end
#
# 37 PRO HA 37 PRO HB- 2.80 (# 976:20 Unique 2.28, 2.53 A)
&rst
ixpk= 976, nxpk= 20, iat= 539, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 536, 537,
&end
#
# 38 VAL HN 37 PRO HA 3.50 (# 31:20 Unique 3.55, 3.56 A)
&rst
ixpk= 31, nxpk= 20, iat= 543, 539, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 PRO HA 40 GLU HN 3.50 (# 417:10 Unique 3.06, 3.10 A)
&rst
ixpk= 417, nxpk= 10, iat= 539, 578, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 37 PRO HA 41 GLU HN 5.50 (# 922:10 Unique 3.91, 4.00 A)
&rst
ixpk= 922, nxpk= 10, iat= 539, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 37 PRO HD- 37 PRO HB+ 4.50 (# 2648:20 Unique 2.81, 3.66 A)
&rst
ixpk= 2648, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531,
igr2= 536, 537,
&end
#
# 38 VAL HN 37 PRO HB+ 5.50 (# 2389:20 Unique 3.46, 3.94 A)
&rst
ixpk= 2389, nxpk= 20, iat= 543, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 536, 537,
&end
#
# 37 PRO HB- 37 PRO HD+ 4.50 (# 2726:20 Unique 2.81, 3.66 A)
&rst
ixpk= 2726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 536, 537,
igr2= 530, 531,
&end
#
# 37 PRO HD- 37 PRO HB- 4.50 (# 977:20 Unique 2.81, 3.66 A)
&rst
ixpk= 977, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 530, 531,
igr2= 536, 537,
&end
#
# 37 PRO HG+ 37 PRO HB- 2.80 (# 2810:20 Unique 2.39, 2.63 A)
&rst
ixpk= 2810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 533, 534,
igr2= 536, 537,
&end
#
# 37 PRO HD+ 37 PRO HG+ 2.80 (# 1114:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1114, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 37 PRO HD+ 38 VAL HN 3.50 (# 894:10 Unique 2.91, 3.55 A)
&rst
ixpk= 894, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 530, 531,
&end
#
# 37 PRO HD- 37 PRO HG+ 2.80 (# 1132:20 Unique 2.32, 2.60 A)
&rst
ixpk= 1132, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 530, 531,
igr2= 533, 534,
&end
#
# 37 PRO HD- 38 VAL HN 4.50 (# 893:10 Unique 2.91, 3.55 A)
&rst
ixpk= 893, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 530, 531,
&end
#
# 37 PRO HG+ 38 VAL HN 2.80 (# 291:10 Unique 2.55, 3.40 A)
&rst
ixpk= 291, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 533, 534,
&end
#
# 38 VAL HA 38 VAL HB 3.50 (# 967:20 Unique 3.03, 3.04 A)
&rst
ixpk= 967, nxpk= 20, iat= 545, 547, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 VAL HA 38 VAL HN 2.80 (# 289:10 Unique 2.85, 2.86 A)
&rst
ixpk= 289, nxpk= 10, iat= 545, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL HA 38 VAL MGX 2.80 (# 1505:20 Unique 2.29, 3.14 A)
&rst
ixpk= 1505, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL HA 38 VAL MGY 2.80 (# 1454:20 Unique 2.29, 3.14 A)
&rst
ixpk= 1454, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 41 GLU HB- 38 VAL HA 3.50 (# 27:20 Unique 2.28, 3.36 A)
&rst
ixpk= 27, nxpk= 20, iat= -1, 545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 597, 598,
&end
#
# 38 VAL HA 41 GLU HG+ 4.50 (# 2597:20 Unique 3.25, 4.22 A)
&rst
ixpk= 2597, nxpk= 20, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 38 VAL HA 41 GLU HN 3.50 (# 271:10 Unique 3.16, 3.30 A)
&rst
ixpk= 271, nxpk= 10, iat= 545, 593, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 LEU HN 38 VAL HA 5.50 (# 2076:20 Unique 3.89, 3.99 A)
&rst
ixpk= 2076, nxpk= 20, iat= 608, 545, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL HB 38 VAL HN 2.80 (# 290:10 Unique 2.66, 2.74 A)
&rst
ixpk= 290, nxpk= 10, iat= 547, 543, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL HB 38 VAL MGX 2.80 (# 1507:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1507, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL HB 38 VAL MGY 2.80 (# 1455:20 Unique 2.41, 2.67 A)
&rst
ixpk= 1455, nxpk= 20, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL HB 39 LEU HN 2.80 (# 400:10 Unique 2.72, 2.80 A)
&rst
ixpk= 400, nxpk= 10, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 38 VAL HB 40 GLU HN 5.50 (# 904:10 Unique 5.17, 5.24 A)
&rst
ixpk= 904, nxpk= 10, iat= 547, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 38 VAL MGX 38 VAL HN 3.50 (# 889:10 Unique 1.99, 3.73 A)
&rst
ixpk= 889, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL MGY 38 VAL HN 2.80 (# 292:10 Unique 1.99, 3.73 A)
&rst
ixpk= 292, nxpk= 10, iat= -1, 543, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL HN 39 LEU HN 2.80 (# 398:10 Unique 2.54, 2.60 A)
&rst
ixpk= 398, nxpk= 10, iat= 543, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 GLU HN 38 VAL HN 4.50 (# 896:10 Unique 3.96, 4.03 A)
&rst
ixpk= 896, nxpk= 10, iat= 578, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 39 LEU HN 38 VAL MGX 4.50 (# 1503:20 Unique 4.01, 4.72 A)
&rst
ixpk= 1503, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 93 LYS HA 38 VAL MGX 2.80 (# 1506:20 Unique 2.25, 4.12 A)
&rst
ixpk= 1506, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL MGX 93 LYS HB+ 4.50 (# 2851:20 Unique 2.11, 4.55 A)
&rst
ixpk= 2851, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 549, 550, 551, 553, 554, 555,
igr2=1403,1404,
&end
#
# 38 VAL MGX 93 LYS HB- 2.80 (# 864:20 Unique 2.11, 4.55 A)
&rst
ixpk= 864, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 549, 550, 551, 553, 554, 555,
igr2=1403,1404,
&end
#
# 38 VAL MGX 93 LYS HN 2.80 (# 253:10 Unique 2.89, 4.33 A)
&rst
ixpk= 253, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL MGX 94 GLU HN 5.50 (# 1230:10 Unique 5.24, 6.78 A)
&rst
ixpk= 1230, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 39 LEU HN 38 VAL MGY 4.50 (# 1448:20 Unique 4.01, 4.72 A)
&rst
ixpk= 1448, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 42 LEU MDX 38 VAL MGY 4.50 (# 1474:20 Unique 2.36, 7.92 A)
&rst
ixpk= 1474, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1= 617, 618, 619, 621, 622, 623,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 90 PHE HE 38 VAL MGY 2.80 (# 1450:20 Unique 2.59, 5.59 A)
&rst
ixpk= 1450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1353,1357,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 90 PHE HZ 38 VAL MGY 3.50 (# 1449:20 Unique 2.73, 4.56 A)
&rst
ixpk= 1449, nxpk= 20, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 38 VAL MGY 92 PRO HA 4.50 (# 138:20 Unique 3.37, 5.00 A)
&rst
ixpk= 138, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 549, 550, 551, 553, 554, 555,
&end
#
# 93 LYS HA 38 VAL MGY 5.50 (# 2628:20 Unique 2.25, 4.12 A)
&rst
ixpk= 2628, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 93 LYS HB- 38 VAL MGY 5.50 (# 1458:20 Unique 2.11, 4.55 A)
&rst
ixpk= 1458, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1403,1404,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 93 LYS HN 38 VAL MGY 4.50 (# 1447:20 Unique 2.89, 4.33 A)
&rst
ixpk= 1447, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 549, 550, 551, 553, 554, 555,
&end
#
# 39 LEU HA 39 LEU HB+ 3.50 (# 576:20 Unique 2.50, 2.78 A)
&rst
ixpk= 576, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 563, 564,
&end
#
# 39 LEU HA 39 LEU HB- 3.50 (# 570:20 Unique 2.50, 2.78 A)
&rst
ixpk= 570, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 563, 564,
&end
#
# 39 LEU HA 39 LEU HG 5.50 (# 2640:20 Unique 2.86, 3.03 A)
&rst
ixpk= 2640, nxpk= 20, iat= 561, 566, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 LEU HA 39 LEU HN 2.80 (# 399:10 Unique 2.84, 2.85 A)
&rst
ixpk= 399, nxpk= 10, iat= 561, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 LEU HA 39 LEU MDX 2.80 (# 1418:20 Unique 2.09, 3.80 A)
&rst
ixpk= 1418, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 42 LEU HB+ 39 LEU HA 2.80 (# 239:20 Unique 2.12, 2.61 A)
&rst
ixpk= 239, nxpk= 20, iat= -1, 561, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 612, 613,
&end
#
# 39 LEU HA 52 ILE QD1 4.50 (# 1866:20 Unique 2.78, 3.70 A)
&rst
ixpk= 1866, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 783, 784, 785,
&end
#
# 39 LEU HA 52 ILE QG2 5.50 (# 2677:20 Unique 4.09, 5.47 A)
&rst
ixpk= 2677, nxpk= 20, iat= 561, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 776, 777, 778,
&end
#
# 39 LEU HB+ 39 LEU HG 4.50 (# 2819:20 Unique 2.45, 2.77 A)
&rst
ixpk= 2819, nxpk= 20, iat= -1, 566, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 563, 564,
&end
#
# 39 LEU HB+ 39 LEU HN 2.80 (# 403:10 Unique 2.39, 3.03 A)
&rst
ixpk= 403, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 563, 564,
&end
#
# 39 LEU HB+ 40 GLU HN 3.50 (# 902:10 Unique 2.71, 3.27 A)
&rst
ixpk= 902, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 563, 564,
&end
#
# 39 LEU HB+ 52 ILE QD1 3.50 (# 1871:20 Unique 2.32, 3.96 A)
&rst
ixpk= 1871, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 564,
igr2= 783, 784, 785,
&end
#
# 39 LEU HB+ 52 ILE QG2 3.50 (# 1746:20 Unique 2.20, 4.19 A)
&rst
ixpk= 1746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 563, 564,
igr2= 776, 777, 778,
&end
#
# 39 LEU HB- 39 LEU HN 2.80 (# 401:10 Unique 2.39, 3.03 A)
&rst
ixpk= 401, nxpk= 10, iat= -1, 559, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 563, 564,
&end
#
# 39 LEU HB- 39 LEU MDX 3.50 (# 1419:20 Unique 2.40, 3.34 A)
&rst
ixpk= 1419, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 563, 564,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 39 LEU HB- 39 LEU MDY 2.80 (# 1209:20 Unique 2.40, 3.34 A)
&rst
ixpk= 1209, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 563, 564,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 40 GLU HN 39 LEU HB- 4.50 (# 573:20 Unique 2.71, 3.27 A)
&rst
ixpk= 573, nxpk= 20, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 563, 564,
&end
#
# 39 LEU HB- 52 ILE QG2 4.50 (# 1743:20 Unique 2.20, 4.19 A)
&rst
ixpk= 1743, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 563, 564,
igr2= 776, 777, 778,
&end
#
# 39 LEU HG 39 LEU HN 2.80 (# 402:10 Unique 2.37, 2.40 A)
&rst
ixpk= 402, nxpk= 10, iat= 566, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 39 LEU HN 39 LEU MDX 4.50 (# 1417:20 Unique 3.61, 4.44 A)
&rst
ixpk= 1417, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 39 LEU HN 39 LEU MDY 4.50 (# 1204:20 Unique 3.61, 4.44 A)
&rst
ixpk= 1204, nxpk= 20, iat= 559, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 568, 569, 570, 572, 573, 574,
&end
#
# 40 GLU HN 39 LEU HN 2.80 (# 397:10 Unique 2.70, 2.73 A)
&rst
ixpk= 397, nxpk= 10, iat= 578, 559, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL HA 4 VAL HB 3.50 (# 726:20 Unique 3.03, 3.04 A)
&rst
ixpk= 726, nxpk= 20, iat= 52, 54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HA 4 VAL HN 3.50 (# 60:10 Unique 2.96, 2.97 A)
&rst
ixpk= 60, nxpk= 10, iat= 52, 50, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HA 4 VAL MGX 2.80 (# 1631:20 Unique 2.47, 3.22 A)
&rst
ixpk= 1631, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL HA 4 VAL MGY 2.80 (# 1579:20 Unique 2.47, 3.22 A)
&rst
ixpk= 1579, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL HA 5 LYS HB+ 4.50 (# 834:20 Unique 3.99, 4.69 A)
&rst
ixpk= 834, nxpk= 20, iat= 52, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 70, 71,
&end
#
# 4 VAL HA 5 LYS HN 2.80 (# 91:10 Unique 2.39, 2.44 A)
&rst
ixpk= 91, nxpk= 10, iat= 52, 66, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL HB 4 VAL HN 2.80 (# 61:10 Unique 2.54, 2.66 A)
&rst
ixpk= 61, nxpk= 10, iat= 54, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL HB 4 VAL MGX 2.80 (# 1632:20 Unique 2.40, 2.66 A)
&rst
ixpk= 1632, nxpk= 20, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL HB 5 LYS HN 3.50 (# 92:10 Unique 3.52, 3.54 A)
&rst
ixpk= 92, nxpk= 10, iat= 54, 66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 VAL HA 4 VAL HB 3.50 (# 725:20 Unique 2.48, 2.75 A)
&rst
ixpk= 725, nxpk= 20, iat= 791, 54, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 4 VAL HB 53 VAL MGX 3.50 (# 1472:20 Unique 2.18, 3.83 A)
&rst
ixpk= 1472, nxpk= 20, iat= 54, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 4 VAL MGY 4 VAL HN 2.80 (# 656:10 Unique 2.30, 4.12 A)
&rst
ixpk= 656, nxpk= 10, iat= -1, 50, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 56, 57, 58, 60, 61, 62,
&end
#
# 53 VAL HA 4 VAL HN 2.80 (# 658:10 Unique 2.62, 2.75 A)
&rst
ixpk= 658, nxpk= 10, iat= 791, 50, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 4 VAL MGX 5 LYS HN 2.80 (# 94:10 Unique 2.12, 3.86 A)
&rst
ixpk= 94, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 56, 57, 58, 60, 61, 62,
&end
#
# 53 VAL MGY 4 VAL MGX 2.80 (# 1635:20 Unique 3.24, 5.67 A)
&rst
ixpk= 1635, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 795, 796, 797, 799, 800, 801,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 6 ALA MB 4 VAL MGX 3.50 (# 1634:20 Unique 2.85, 6.62 A)
&rst
ixpk= 1634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 92, 93, 94,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 5 LYS HN 4 VAL MGY 4.50 (# 1576:20 Unique 2.12, 3.86 A)
&rst
ixpk= 1576, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 56, 57, 58, 60, 61, 62,
&end
#
# 4 VAL MGY 51 LYS HE- 3.50 (# 513:20 Unique 3.41, 5.97 A)
&rst
ixpk= 513, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 56, 57, 58, 60, 61, 62,
igr2= 761, 762,
&end
#
# 40 GLU HA 40 GLU HB+ 2.80 (# 1088:20 Unique 2.51, 2.79 A)
&rst
ixpk= 1088, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 582, 583,
&end
#
# 40 GLU HG+ 40 GLU HA 2.80 (# 172:20 Unique 2.42, 2.71 A)
&rst
ixpk= 172, nxpk= 20, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 585, 586,
&end
#
# 40 GLU HG- 40 GLU HA 2.80 (# 173:20 Unique 2.42, 2.71 A)
&rst
ixpk= 173, nxpk= 20, iat= -1, 580, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 585, 586,
&end
#
# 40 GLU HN 40 GLU HA 2.80 (# 170:20 Unique 2.83, 2.85 A)
&rst
ixpk= 170, nxpk= 20, iat= 578, 580, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 40 GLU HA 43 ASP HB+ 3.50 (# 488:20 Unique 2.73, 3.20 A)
&rst
ixpk= 488, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 631, 632,
&end
#
# 40 GLU HA 43 ASP HB- 3.50 (# 482:20 Unique 2.73, 3.20 A)
&rst
ixpk= 482, nxpk= 20, iat= 580, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 631, 632,
&end
#
# 43 ASP HN 40 GLU HA 4.50 (# 2146:20 Unique 3.31, 3.42 A)
&rst
ixpk= 2146, nxpk= 20, iat= 627, 580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLU HB+ 40 GLU HN 2.80 (# 421:10 Unique 2.43, 3.05 A)
&rst
ixpk= 421, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 582, 583,
&end
#
# 40 GLU HB+ 41 GLU HN 2.80 (# 274:10 Unique 2.57, 3.10 A)
&rst
ixpk= 274, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 582, 583,
&end
#
# 40 GLU HG+ 40 GLU HN 2.80 (# 419:10 Unique 2.36, 3.02 A)
&rst
ixpk= 419, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 585, 586,
&end
#
# 40 GLU HG- 40 GLU HN 2.80 (# 420:10 Unique 2.36, 3.02 A)
&rst
ixpk= 420, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 585, 586,
&end
#
# 41 GLU HA 40 GLU HN 5.50 (# 906:10 Unique 5.37, 5.40 A)
&rst
ixpk= 906, nxpk= 10, iat= 595, 578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLU HG+ 40 GLU HN 5.50 (# 905:10 Unique 4.82, 5.69 A)
&rst
ixpk= 905, nxpk= 10, iat= -1, 578, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 600, 601,
&end
#
# 41 GLU HN 40 GLU HN 2.80 (# 415:10 Unique 2.75, 2.80 A)
&rst
ixpk= 415, nxpk= 10, iat= 593, 578, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU HN 40 GLU HN 4.50 (# 416:10 Unique 4.06, 4.11 A)
&rst
ixpk= 416, nxpk= 10, iat= 608, 578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 40 GLU HN 44 GLN HE2+ 5.50 (# 556:10 Unique 5.17, 5.68 A)
&rst
ixpk= 556, nxpk= 10, iat= 578, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 651, 652,
&end
#
# 41 GLU HA 41 GLU HB+ 2.80 (# 1009:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1009, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 597, 598,
&end
#
# 41 GLU HA 41 GLU HB- 2.80 (# 1004:20 Unique 2.51, 2.80 A)
&rst
ixpk= 1004, nxpk= 20, iat= 595, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 597, 598,
&end
#
# 41 GLU HG+ 41 GLU HA 3.50 (# 166:20 Unique 2.30, 2.80 A)
&rst
ixpk= 166, nxpk= 20, iat= -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 600, 601,
&end
#
# 41 GLU HA 41 GLU HN 2.80 (# 270:10 Unique 2.84, 2.85 A)
&rst
ixpk= 270, nxpk= 10, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 GLU HA 42 LEU HN 3.50 (# 925:10 Unique 3.56, 3.56 A)
&rst
ixpk= 925, nxpk= 10, iat= 595, 608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 41 GLU HA 43 ASP HN 4.50 (# 934:10 Unique 4.39, 4.49 A)
&rst
ixpk= 934, nxpk= 10, iat= 595, 627, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HN 41 GLU HA 5.50 (# 2150:20 Unique 4.25, 4.54 A)
&rst
ixpk= 2150, nxpk= 20, iat= 656, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 41 GLU HG+ 41 GLU HB+ 3.50 (# 1010:20 Unique 2.34, 2.73 A)
&rst
ixpk= 1010, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 600, 601,
igr2= 597, 598,
&end
#
# 41 GLU HB+ 41 GLU HN 2.80 (# 920:10 Unique 2.22, 2.98 A)
&rst
ixpk= 920, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 597, 598,
&end
#
# 41 GLU HB+ 42 LEU HN 2.80 (# 285:10 Unique 2.61, 3.15 A)
&rst
ixpk= 285, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 597, 598,
&end
#
# 93 LYS HD+ 41 GLU HB+ 3.50 (# 1011:20 Unique 2.26, 3.86 A)
&rst
ixpk= 1011, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1409,1410,
igr2= 597, 598,
&end
#
# 93 LYS HG+ 41 GLU HB+ 4.50 (# 2812:20 Unique 3.03, 4.53 A)
&rst
ixpk= 2812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1406,1407,
igr2= 597, 598,
&end
#
# 41 GLU HG+ 41 GLU HB- 2.80 (# 1006:20 Unique 2.34, 2.73 A)
&rst
ixpk= 1006, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 600, 601,
igr2= 597, 598,
&end
#
# 41 GLU HB- 41 GLU HN 2.80 (# 273:10 Unique 2.22, 2.98 A)
&rst
ixpk= 273, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 597, 598,
&end
#
# 42 LEU HN 41 GLU HB- 3.50 (# 1002:20 Unique 2.61, 3.15 A)
&rst
ixpk= 1002, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 597, 598,
&end
#
# 93 LYS HD+ 41 GLU HB- 4.50 (# 2814:20 Unique 2.26, 3.86 A)
&rst
ixpk= 2814, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1409,1410,
igr2= 597, 598,
&end
#
# 41 GLU HG+ 41 GLU HN 2.80 (# 272:10 Unique 2.42, 3.14 A)
&rst
ixpk= 272, nxpk= 10, iat= -1, 593, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 600, 601,
&end
#
# 42 LEU HN 41 GLU HG+ 5.50 (# 2319:20 Unique 4.55, 4.86 A)
&rst
ixpk= 2319, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 600, 601,
&end
#
# 41 GLU HN 41 GLU HG- 4.50 (# 667:20 Unique 2.42, 3.14 A)
&rst
ixpk= 667, nxpk= 20, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 600, 601,
&end
#
# 42 LEU HN 41 GLU HG- 5.50 (# 2318:20 Unique 4.55, 4.86 A)
&rst
ixpk= 2318, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 600, 601,
&end
#
# 42 LEU HN 41 GLU HN 2.80 (# 267:10 Unique 2.70, 2.73 A)
&rst
ixpk= 267, nxpk= 10, iat= 608, 593, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 42 LEU HA 42 LEU HB+ 2.80 (# 516:20 Unique 2.47, 2.81 A)
&rst
ixpk= 516, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 612, 613,
&end
#
# 42 LEU HA 42 LEU HG 4.50 (# 1160:20 Unique 2.68, 3.17 A)
&rst
ixpk= 1160, nxpk= 20, iat= 610, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 LEU HN 42 LEU HA 3.50 (# 226:20 Unique 2.81, 2.82 A)
&rst
ixpk= 226, nxpk= 20, iat= 608, 610, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 42 LEU HA 45 GLU HB+ 3.50 (# 975:20 Unique 2.32, 3.20 A)
&rst
ixpk= 975, nxpk= 20, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 660, 661,
&end
#
# 42 LEU HA 45 GLU HN 3.50 (# 941:10 Unique 3.13, 3.30 A)
&rst
ixpk= 941, nxpk= 10, iat= 610, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HG+ 42 LEU HA 5.50 (# 2163:20 Unique 3.40, 4.29 A)
&rst
ixpk= 2163, nxpk= 20, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 678, 679,
&end
#
# 46 MET HG- 42 LEU HA 5.50 (# 2162:20 Unique 3.40, 4.29 A)
&rst
ixpk= 2162, nxpk= 20, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 678, 679,
&end
#
# 42 LEU HA 46 MET HN 4.50 (# 945:10 Unique 3.43, 3.90 A)
&rst
ixpk= 945, nxpk= 10, iat= 610, 671, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 LEU HB+ 42 LEU HN 2.80 (# 286:10 Unique 2.10, 2.57 A)
&rst
ixpk= 286, nxpk= 10, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 612, 613,
&end
#
# 42 LEU HN 42 LEU HG 4.50 (# 1159:20 Unique 3.70, 4.34 A)
&rst
ixpk= 1159, nxpk= 20, iat= 608, 615, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 42 LEU HN 42 LEU MDX 5.50 (# 2279:20 Unique 2.61, 5.00 A)
&rst
ixpk= 2279, nxpk= 20, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 46 MET HG+ 42 LEU MDX 4.50 (# 1267:20 Unique 2.28, 4.50 A)
&rst
ixpk= 1267, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 678, 679,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 46 MET HG- 42 LEU MDX 4.50 (# 1268:20 Unique 2.28, 4.50 A)
&rst
ixpk= 1268, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 678, 679,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 42 LEU MDX 93 LYS HA 4.50 (# 129:20 Unique 2.57, 5.75 A)
&rst
ixpk= 129, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 617, 618, 619, 621, 622, 623,
&end
#
# 96 LEU HB+ 42 LEU MDX 2.80 (# 1270:20 Unique 2.15, 3.86 A)
&rst
ixpk= 1270, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1450,1451,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 97 GLN HA 42 LEU MDX 4.50 (# 1266:20 Unique 2.16, 4.06 A)
&rst
ixpk= 1266, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 97 GLN HE2+ 42 LEU MDX 5.50 (# 2469:20 Unique 2.24, 6.09 A)
&rst
ixpk= 2469, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1477,1478,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 97 GLN HG+ 42 LEU MDX 4.50 (# 1256:20 Unique 2.26, 4.78 A)
&rst
ixpk= 1256, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1472,1473,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 97 GLN HN 42 LEU MDX 5.50 (# 2280:20 Unique 2.88, 4.86 A)
&rst
ixpk= 2280, nxpk= 20, iat=1465, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 46 MET HG- 42 LEU MDY 4.50 (# 2833:20 Unique 2.28, 4.50 A)
&rst
ixpk= 2833, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 678, 679,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 97 GLN HG+ 42 LEU MDY 4.50 (# 1271:20 Unique 2.26, 4.78 A)
&rst
ixpk= 1271, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1472,1473,
igr2= 617, 618, 619, 621, 622, 623,
&end
#
# 43 ASP HB+ 43 ASP HA 2.80 (# 247:20 Unique 2.48, 2.77 A)
&rst
ixpk= 247, nxpk= 20, iat= -1, 629, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 631, 632,
&end
#
# 43 ASP HA 43 ASP HB- 3.50 (# 481:20 Unique 2.48, 2.77 A)
&rst
ixpk= 481, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 631, 632,
&end
#
# 43 ASP HA 43 ASP HN 2.80 (# 331:10 Unique 2.81, 2.83 A)
&rst
ixpk= 331, nxpk= 10, iat= 629, 627, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 43 ASP HA 44 GLN HN 3.50 (# 877:10 Unique 3.56, 3.57 A)
&rst
ixpk= 877, nxpk= 10, iat= 629, 639, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 47 GLY HN 43 ASP HA 4.50 (# 245:20 Unique 3.11, 3.52 A)
&rst
ixpk= 245, nxpk= 20, iat= 688, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 43 ASP HA 52 ILE QD1 3.50 (# 1865:20 Unique 2.97, 3.94 A)
&rst
ixpk= 1865, nxpk= 20, iat= 629, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 783, 784, 785,
&end
#
# 43 ASP HB+ 43 ASP HN 2.80 (# 334:10 Unique 2.41, 2.56 A)
&rst
ixpk= 334, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 631, 632,
&end
#
# 44 GLN HN 43 ASP HB+ 3.50 (# 486:20 Unique 2.40, 3.15 A)
&rst
ixpk= 486, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 631, 632,
&end
#
# 43 ASP HB+ 52 ILE QD1 3.50 (# 1867:20 Unique 2.23, 3.92 A)
&rst
ixpk= 1867, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 631, 632,
igr2= 783, 784, 785,
&end
#
# 43 ASP HB- 43 ASP HN 2.80 (# 333:10 Unique 2.41, 2.56 A)
&rst
ixpk= 333, nxpk= 10, iat= -1, 627, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 631, 632,
&end
#
# 43 ASP HB- 44 GLN HG- 2.80 (# 797:20 Unique 2.93, 4.60 A)
&rst
ixpk= 797, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 631, 632,
igr2= 646, 647,
&end
#
# 43 ASP HB- 44 GLN HN 2.80 (# 426:10 Unique 2.40, 3.15 A)
&rst
ixpk= 426, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 631, 632,
&end
#
# 43 ASP HB- 45 GLU HN 5.50 (# 940:10 Unique 4.72, 5.17 A)
&rst
ixpk= 940, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 631, 632,
&end
#
# 43 ASP HN 44 GLN HN 2.80 (# 423:10 Unique 2.67, 2.72 A)
&rst
ixpk= 423, nxpk= 10, iat= 627, 639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 GLU HN 43 ASP HN 5.50 (# 935:10 Unique 3.96, 4.01 A)
&rst
ixpk= 935, nxpk= 10, iat= 656, 627, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 ASP HN 52 ILE QD1 4.50 (# 1864:20 Unique 2.84, 3.49 A)
&rst
ixpk= 1864, nxpk= 20, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 783, 784, 785,
&end
#
# 44 GLN HA 44 GLN HB+ 2.80 (# 1104:20 Unique 2.53, 2.78 A)
&rst
ixpk= 1104, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 643, 644,
&end
#
# 44 GLN HA 44 GLN HG+ 3.50 (# 809:20 Unique 2.50, 2.67 A)
&rst
ixpk= 809, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 646, 647,
&end
#
# 44 GLN HA 44 GLN HG- 3.50 (# 812:20 Unique 2.50, 2.67 A)
&rst
ixpk= 812, nxpk= 20, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 646, 647,
&end
#
# 44 GLN HA 44 GLN HN 2.80 (# 425:10 Unique 2.86, 2.87 A)
&rst
ixpk= 425, nxpk= 10, iat= 641, 639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 44 GLN HA 45 GLU HN 3.50 (# 942:10 Unique 3.41, 3.44 A)
&rst
ixpk= 942, nxpk= 10, iat= 641, 656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 44 GLN HA 46 MET HN 5.50 (# 946:10 Unique 4.55, 4.66 A)
&rst
ixpk= 946, nxpk= 10, iat= 641, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 44 GLN HB+ 44 GLN HG+ 2.80 (# 810:20 Unique 2.39, 2.78 A)
&rst
ixpk= 810, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 643, 644,
igr2= 646, 647,
&end
#
# 44 GLN HG- 44 GLN HB+ 2.80 (# 1105:20 Unique 2.39, 2.78 A)
&rst
ixpk= 1105, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 646, 647,
igr2= 643, 644,
&end
#
# 44 GLN HN 44 GLN HB+ 2.80 (# 1103:20 Unique 2.35, 2.97 A)
&rst
ixpk= 1103, nxpk= 20, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 643, 644,
&end
#
# 45 GLU HN 44 GLN HB+ 3.50 (# 1102:20 Unique 3.20, 3.80 A)
&rst
ixpk= 1102, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 643, 644,
&end
#
# 44 GLN HB- 44 GLN HN 2.80 (# 428:10 Unique 2.35, 2.97 A)
&rst
ixpk= 428, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 643, 644,
&end
#
# 44 GLN HE2+ 44 GLN HN 4.50 (# 424:10 Unique 3.07, 4.01 A)
&rst
ixpk= 424, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 651, 652,
&end
#
# 44 GLN HG+ 44 GLN HN 2.80 (# 427:10 Unique 2.35, 3.03 A)
&rst
ixpk= 427, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 646, 647,
&end
#
# 44 GLN HG- 44 GLN HN 2.80 (# 879:10 Unique 2.35, 3.03 A)
&rst
ixpk= 879, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 646, 647,
&end
#
# 45 GLU HB+ 44 GLN HN 4.50 (# 880:10 Unique 4.64, 5.40 A)
&rst
ixpk= 880, nxpk= 10, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 660, 661,
&end
#
# 44 GLN HN 45 GLU HN 2.80 (# 431:10 Unique 2.67, 2.72 A)
&rst
ixpk= 431, nxpk= 10, iat= 639, 656, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 GLU HA 45 GLU HB+ 2.80 (# 974:20 Unique 2.57, 2.81 A)
&rst
ixpk= 974, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 660, 661,
&end
#
# 45 GLU HA 45 GLU HG+ 3.50 (# 2598:20 Unique 2.36, 3.16 A)
&rst
ixpk= 2598, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 663, 664,
&end
#
# 45 GLU HA 45 GLU HG- 3.50 (# 692:20 Unique 2.36, 3.16 A)
&rst
ixpk= 692, nxpk= 20, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 663, 664,
&end
#
# 45 GLU HA 45 GLU HN 2.90 (# 432:10 Unique 2.92, 2.93 A)
&rst
ixpk= 432, nxpk= 10, iat= 658, 656, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 46 MET HN 45 GLU HA 4.50 (# 221:20 Unique 3.53, 3.56 A)
&rst
ixpk= 221, nxpk= 20, iat= 671, 658, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 45 GLU HG+ 45 GLU HB+ 2.80 (# 981:20 Unique 2.26, 2.66 A)
&rst
ixpk= 981, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 663, 664,
igr2= 660, 661,
&end
#
# 45 GLU HB+ 45 GLU HN 2.80 (# 435:10 Unique 2.26, 2.93 A)
&rst
ixpk= 435, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 660, 661,
&end
#
# 45 GLU HB+ 46 MET HN 2.80 (# 504:10 Unique 2.67, 3.23 A)
&rst
ixpk= 504, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 660, 661,
&end
#
# 45 GLU HG+ 45 GLU HN 2.80 (# 433:10 Unique 2.82, 3.35 A)
&rst
ixpk= 433, nxpk= 10, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 663, 664,
&end
#
# 45 GLU HN 45 GLU HG- 4.50 (# 691:20 Unique 2.82, 3.35 A)
&rst
ixpk= 691, nxpk= 20, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 663, 664,
&end
#
# 45 GLU HN 46 MET HN 2.80 (# 500:10 Unique 2.18, 2.23 A)
&rst
ixpk= 500, nxpk= 10, iat= 656, 671, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 45 GLU HN 47 GLY HN 3.50 (# 956:10 Unique 3.51, 3.55 A)
&rst
ixpk= 956, nxpk= 10, iat= 656, 688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HA 46 MET HB+ 3.50 (# 819:20 Unique 2.43, 2.76 A)
&rst
ixpk= 819, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 675, 676,
&end
#
# 46 MET HA 46 MET HB- 3.50 (# 817:20 Unique 2.43, 2.76 A)
&rst
ixpk= 817, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 675, 676,
&end
#
# 46 MET HA 46 MET HN 3.50 (# 505:10 Unique 2.99, 2.99 A)
&rst
ixpk= 505, nxpk= 10, iat= 673, 671, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HA 46 MET ME 4.50 (# 1752:20 Unique 2.15, 4.70 A)
&rst
ixpk= 1752, nxpk= 20, iat= 673, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 682, 683, 684,
&end
#
# 46 MET HA 47 GLY HN 3.50 (# 949:10 Unique 3.23, 3.32 A)
&rst
ixpk= 949, nxpk= 10, iat= 673, 688, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HA 48 ASP HN 3.50 (# 957:10 Unique 3.22, 3.40 A)
&rst
ixpk= 957, nxpk= 10, iat= 673, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 46 MET HA 49 LYS HN 5.50 (# 983:10 Unique 4.08, 4.33 A)
&rst
ixpk= 983, nxpk= 10, iat= 673, 707, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 MET HN 46 MET HB+ 3.50 (# 818:20 Unique 2.39, 3.12 A)
&rst
ixpk= 818, nxpk= 20, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 675, 676,
&end
#
# 46 MET HB- 46 MET HN 2.80 (# 503:10 Unique 2.39, 3.12 A)
&rst
ixpk= 503, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 675, 676,
&end
#
# 46 MET HB- 46 MET ME 2.80 (# 1768:20 Unique 2.27, 5.03 A)
&rst
ixpk= 1768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 675, 676,
igr2= 682, 683, 684,
&end
#
# 46 MET HB- 47 GLY HN 4.50 (# 952:10 Unique 3.50, 3.99 A)
&rst
ixpk= 952, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 675, 676,
&end
#
# 46 MET HG+ 46 MET HN 2.80 (# 502:10 Unique 2.63, 3.43 A)
&rst
ixpk= 502, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 678, 679,
&end
#
# 46 MET HG- 46 MET HN 2.80 (# 948:10 Unique 2.63, 3.43 A)
&rst
ixpk= 948, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 678, 679,
&end
#
# 46 MET HG- 46 MET ME 2.80 (# 1765:20 Unique 2.47, 3.30 A)
&rst
ixpk= 1765, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 678, 679,
igr2= 682, 683, 684,
&end
#
# 47 GLY HA+ 46 MET HN 5.50 (# 947:10 Unique 4.20, 4.40 A)
&rst
ixpk= 947, nxpk= 10, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 691,
&end
#
# 47 GLY HN 46 MET HN 2.80 (# 499:10 Unique 2.13, 2.21 A)
&rst
ixpk= 499, nxpk= 10, iat= 688, 671, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 49 LYS HB- 46 MET ME 3.50 (# 1769:20 Unique 4.17, 9.42 A)
&rst
ixpk= 1769, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 711, 712,
igr2= 682, 683, 684,
&end
#
# 50 LEU HB+ 46 MET ME 4.50 (# 1758:20 Unique 4.24, 7.69 A)
&rst
ixpk= 1758, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 733, 734,
igr2= 682, 683, 684,
&end
#
# 97 GLN HA 46 MET ME 4.50 (# 1754:20 Unique 2.58, 4.16 A)
&rst
ixpk= 1754, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 682, 683, 684,
&end
#
# 97 GLN HE2- 46 MET ME 5.50 (# 2383:20 Unique 3.54, 5.73 A)
&rst
ixpk= 2383, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1477,1478,
igr2= 682, 683, 684,
&end
#
# 97 GLN HG+ 46 MET ME 3.50 (# 1766:20 Unique 2.37, 4.32 A)
&rst
ixpk= 1766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1472,1473,
igr2= 682, 683, 684,
&end
#
# 97 GLN HG- 46 MET ME 2.80 (# 1767:20 Unique 2.37, 4.32 A)
&rst
ixpk= 1767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1472,1473,
igr2= 682, 683, 684,
&end
#
# 47 GLY HA+ 47 GLY HN 2.80 (# 604:10 Unique 2.22, 2.50 A)
&rst
ixpk= 604, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 690, 691,
&end
#
# 48 ASP HA 47 GLY HA+ 5.50 (# 2579:20 Unique 4.56, 4.74 A)
&rst
ixpk= 2579, nxpk= 20, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 690, 691,
&end
#
# 47 GLY HA+ 48 ASP HN 2.90 (# 364:10 Unique 3.09, 3.28 A)
&rst
ixpk= 364, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 690, 691,
&end
#
# 47 GLY HA+ 49 LYS HN 5.50 (# 981:10 Unique 3.54, 4.12 A)
&rst
ixpk= 981, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 691,
&end
#
# 50 LEU HB- 47 GLY HA+ 5.50 (# 2767:20 Unique 2.15, 3.90 A)
&rst
ixpk= 2767, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 734,
igr2= 690, 691,
&end
#
# 50 LEU HN 47 GLY HA+ 5.50 (# 2343:20 Unique 2.61, 3.59 A)
&rst
ixpk= 2343, nxpk= 20, iat= 729, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 690, 691,
&end
#
# 47 GLY HA- 47 GLY HN 2.80 (# 603:10 Unique 2.22, 2.50 A)
&rst
ixpk= 603, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 690, 691,
&end
#
# 48 ASP HA 47 GLY HA- 5.50 (# 2578:20 Unique 4.56, 4.74 A)
&rst
ixpk= 2578, nxpk= 20, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 690, 691,
&end
#
# 47 GLY HA- 48 ASP HN 3.50 (# 363:10 Unique 3.09, 3.28 A)
&rst
ixpk= 363, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 690, 691,
&end
#
# 47 GLY HA- 49 LYS HN 5.50 (# 980:10 Unique 3.54, 4.12 A)
&rst
ixpk= 980, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 690, 691,
&end
#
# 50 LEU HB- 47 GLY HA- 5.50 (# 2768:20 Unique 2.15, 3.90 A)
&rst
ixpk= 2768, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 733, 734,
igr2= 690, 691,
&end
#
# 47 GLY HA- 50 LEU HN 4.50 (# 995:10 Unique 2.61, 3.59 A)
&rst
ixpk= 995, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 690, 691,
&end
#
# 47 GLY HN 48 ASP HN 3.50 (# 360:10 Unique 2.95, 3.02 A)
&rst
ixpk= 360, nxpk= 10, iat= 688, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LEU HB- 47 GLY HN 5.50 (# 953:10 Unique 3.63, 4.33 A)
&rst
ixpk= 953, nxpk= 10, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 48 ASP HA 48 ASP HB+ 2.80 (# 601:20 Unique 2.44, 2.75 A)
&rst
ixpk= 601, nxpk= 20, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 699, 700,
&end
#
# 48 ASP HA 48 ASP HN 2.80 (# 362:10 Unique 2.84, 2.87 A)
&rst
ixpk= 362, nxpk= 10, iat= 697, 695, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 48 ASP HA 49 LYS HN 4.50 (# 982:10 Unique 3.52, 3.54 A)
&rst
ixpk= 982, nxpk= 10, iat= 697, 707, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HN 48 ASP HA 5.50 (# 2354:20 Unique 4.81, 4.95 A)
&rst
ixpk= 2354, nxpk= 20, iat= 729, 697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 48 ASP HB+ 48 ASP HN 2.80 (# 365:10 Unique 2.39, 2.52 A)
&rst
ixpk= 365, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 699, 700,
&end
#
# 48 ASP HB+ 49 LYS HN 4.50 (# 984:10 Unique 2.56, 3.41 A)
&rst
ixpk= 984, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 699, 700,
&end
#
# 49 LYS HA 48 ASP HN 5.50 (# 958:10 Unique 5.04, 5.22 A)
&rst
ixpk= 958, nxpk= 10, iat= 709, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 49 LYS HB+ 48 ASP HN 5.50 (# 960:10 Unique 4.72, 5.66 A)
&rst
ixpk= 960, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 711, 712,
&end
#
# 49 LYS HG+ 48 ASP HN 4.50 (# 959:10 Unique 4.59, 5.32 A)
&rst
ixpk= 959, nxpk= 10, iat= -1, 695, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 715,
&end
#
# 48 ASP HN 49 LYS HN 2.80 (# 366:10 Unique 2.45, 2.53 A)
&rst
ixpk= 366, nxpk= 10, iat= 695, 707, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LEU HN 48 ASP HN 3.50 (# 359:10 Unique 3.21, 3.54 A)
&rst
ixpk= 359, nxpk= 10, iat= 729, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HB+ 49 LYS HA 2.80 (# 268:20 Unique 2.35, 2.75 A)
&rst
ixpk= 268, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 711, 712,
&end
#
# 49 LYS HB- 49 LYS HA 2.80 (# 267:20 Unique 2.35, 2.75 A)
&rst
ixpk= 267, nxpk= 20, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 711, 712,
&end
#
# 49 LYS HA 49 LYS HE+ 5.50 (# 2592:20 Unique 1.88, 4.31 A)
&rst
ixpk= 2592, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 720, 721,
&end
#
# 49 LYS HA 49 LYS HG+ 3.50 (# 1276:20 Unique 2.70, 3.32 A)
&rst
ixpk= 1276, nxpk= 20, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 714, 715,
&end
#
# 49 LYS HA 49 LYS HN 3.50 (# 368:10 Unique 2.97, 2.99 A)
&rst
ixpk= 368, nxpk= 10, iat= 709, 707, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HA 50 LEU HN 3.50 (# 994:10 Unique 3.43, 3.53 A)
&rst
ixpk= 994, nxpk= 10, iat= 709, 729, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 49 LYS HG+ 49 LYS HB+ 2.80 (# 793:20 Unique 2.29, 2.66 A)
&rst
ixpk= 793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 714, 715,
igr2= 711, 712,
&end
#
# 49 LYS HB+ 49 LYS HN 2.80 (# 369:10 Unique 2.46, 3.23 A)
&rst
ixpk= 369, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 711, 712,
&end
#
# 49 LYS HB- 49 LYS HG+ 2.80 (# 1278:20 Unique 2.29, 2.66 A)
&rst
ixpk= 1278, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 711, 712,
igr2= 714, 715,
&end
#
# 49 LYS HB- 49 LYS HN 3.50 (# 986:10 Unique 2.46, 3.23 A)
&rst
ixpk= 986, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 711, 712,
&end
#
# 49 LYS HB- 50 LEU HN 4.50 (# 992:10 Unique 2.68, 3.46 A)
&rst
ixpk= 992, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 711, 712,
&end
#
# 49 LYS HE+ 49 LYS HD+ 2.80 (# 1025:20 Unique 2.32, 2.69 A)
&rst
ixpk= 1025, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 720, 721,
igr2= 717, 718,
&end
#
# 49 LYS HD+ 49 LYS HG+ 2.80 (# 1279:20 Unique 2.28, 2.73 A)
&rst
ixpk= 1279, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 717, 718,
igr2= 714, 715,
&end
#
# 49 LYS HN 49 LYS HD+ 5.50 (# 2286:20 Unique 4.21, 5.00 A)
&rst
ixpk= 2286, nxpk= 20, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 717, 718,
&end
#
# 49 LYS HE+ 49 LYS HG+ 3.50 (# 1277:20 Unique 2.37, 3.14 A)
&rst
ixpk= 1277, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 720, 721,
igr2= 714, 715,
&end
#
# 49 LYS HG+ 49 LYS HN 2.80 (# 370:10 Unique 2.80, 3.45 A)
&rst
ixpk= 370, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 714, 715,
&end
#
# 49 LYS HG+ 50 LEU HN 4.50 (# 991:10 Unique 4.20, 4.69 A)
&rst
ixpk= 991, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 714, 715,
&end
#
# 50 LEU HB+ 49 LYS HN 5.50 (# 987:10 Unique 3.87, 4.07 A)
&rst
ixpk= 987, nxpk= 10, iat= -1, 707, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 733, 734,
&end
#
# 50 LEU HN 49 LYS HN 2.80 (# 367:10 Unique 1.79, 1.85 A)
&rst
ixpk= 367, nxpk= 10, iat= 729, 707, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 5 LYS HA 5 LYS HE+ 2.80 (# 499:20 Unique 2.86, 3.34 A)
&rst
ixpk= 499, nxpk= 20, iat= 68, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 79, 80,
&end
#
# 5 LYS HB+ 5 LYS HG- 2.80 (# 1254:20 Unique 2.20, 2.65 A)
&rst
ixpk= 1254, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 70, 71,
igr2= 73, 74,
&end
#
# 5 LYS HB+ 5 LYS HN 2.80 (# 93:10 Unique 2.50, 2.93 A)
&rst
ixpk= 93, nxpk= 10, iat= -1, 66, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 70, 71,
&end
#
# 5 LYS HB+ 54 LYS HE+ 5.50 (# 554:20 Unique 2.98, 7.39 A)
&rst
ixpk= 554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 70, 71,
igr2= 818, 819,
&end
#
# 5 LYS HB+ 6 ALA HN 3.50 (# 666:10 Unique 3.15, 4.03 A)
&rst
ixpk= 666, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 70, 71,
&end
#
# 5 LYS HN 5 LYS HG+ 5.50 (# 2278:20 Unique 3.12, 4.59 A)
&rst
ixpk= 2278, nxpk= 20, iat= 66, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 73, 74,
&end
#
# 6 ALA HN 5 LYS HN 5.50 (# 663:10 Unique 4.20, 4.32 A)
&rst
ixpk= 663, nxpk= 10, iat= 88, 66, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LEU HA 50 LEU HB+ 3.50 (# 400:20 Unique 2.46, 2.76 A)
&rst
ixpk= 400, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 733, 734,
&end
#
# 50 LEU HA 50 LEU HB- 4.50 (# 394:20 Unique 2.46, 2.76 A)
&rst
ixpk= 394, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 733, 734,
&end
#
# 50 LEU HG 50 LEU HA 5.50 (# 2781:20 Unique 3.13, 3.17 A)
&rst
ixpk= 2781, nxpk= 20, iat= 736, 731, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 50 LEU HA 50 LEU HN 2.90 (# 318:10 Unique 2.82, 2.85 A)
&rst
ixpk= 318, nxpk= 10, iat= 731, 729, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 50 LEU HA 50 LEU MDX 2.80 (# 1358:20 Unique 2.20, 3.85 A)
&rst
ixpk= 1358, nxpk= 20, iat= 731, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 50 LEU HA 51 LYS HN 2.80 (# 107:10 Unique 2.12, 2.19 A)
&rst
ixpk= 107, nxpk= 10, iat= 731, 748, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 50 LEU HG 50 LEU HB+ 2.80 (# 403:20 Unique 2.47, 2.76 A)
&rst
ixpk= 403, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 733, 734,
&end
#
# 50 LEU HB+ 50 LEU HN 2.80 (# 320:10 Unique 2.36, 2.48 A)
&rst
ixpk= 320, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 733, 734,
&end
#
# 50 LEU HB+ 51 LYS HN 3.50 (# 1006:10 Unique 3.82, 3.98 A)
&rst
ixpk= 1006, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 733, 734,
&end
#
# 50 LEU HG 50 LEU HB- 2.80 (# 396:20 Unique 2.47, 2.76 A)
&rst
ixpk= 396, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 733, 734,
&end
#
# 50 LEU HB- 50 LEU HN 2.80 (# 319:10 Unique 2.36, 2.48 A)
&rst
ixpk= 319, nxpk= 10, iat= -1, 729, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 733, 734,
&end
#
# 50 LEU HG 50 LEU HN 4.50 (# 990:10 Unique 4.39, 4.47 A)
&rst
ixpk= 990, nxpk= 10, iat= 736, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 50 LEU HG 50 LEU MDX 2.80 (# 1360:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1360, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 50 LEU HG 51 LYS HN 3.50 (# 1007:10 Unique 2.52, 2.66 A)
&rst
ixpk= 1007, nxpk= 10, iat= 736, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 50 LEU HG 52 ILE HG1+ 5.50 (# 2829:20 Unique 2.45, 2.78 A)
&rst
ixpk= 2829, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 780, 781,
&end
#
# 50 LEU HG 52 ILE QD1 4.50 (# 1870:20 Unique 2.73, 4.31 A)
&rst
ixpk= 1870, nxpk= 20, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 783, 784, 785,
&end
#
# 51 LYS HN 50 LEU MDX 3.50 (# 1356:20 Unique 2.02, 4.06 A)
&rst
ixpk= 1356, nxpk= 20, iat= 748, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 738, 739, 740, 742, 743, 744,
&end
#
# 51 LYS HA 51 LYS HB+ 2.80 (# 745:20 Unique 2.52, 2.80 A)
&rst
ixpk= 745, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 752, 753,
&end
#
# 51 LYS HA 51 LYS HG+ 3.50 (# 1262:20 Unique 2.68, 2.83 A)
&rst
ixpk= 1262, nxpk= 20, iat= 750, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 755, 756,
&end
#
# 51 LYS HA 51 LYS HN 3.50 (# 106:10 Unique 2.95, 2.96 A)
&rst
ixpk= 106, nxpk= 10, iat= 750, 748, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 51 LYS HA 52 ILE HN 2.80 (# 66:10 Unique 2.35, 2.41 A)
&rst
ixpk= 66, nxpk= 10, iat= 750, 770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 51 LYS HE+ 51 LYS HB+ 5.50 (# 2700:20 Unique 2.30, 3.23 A)
&rst
ixpk= 2700, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 761, 762,
igr2= 752, 753,
&end
#
# 51 LYS HG- 51 LYS HB+ 2.80 (# 746:20 Unique 2.35, 2.77 A)
&rst
ixpk= 746, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 755, 756,
igr2= 752, 753,
&end
#
# 51 LYS HB+ 51 LYS HN 2.80 (# 108:10 Unique 2.66, 2.97 A)
&rst
ixpk= 108, nxpk= 10, iat= -1, 748, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 752, 753,
&end
#
# 51 LYS HE+ 51 LYS HD+ 2.80 (# 1016:20 Unique 2.25, 2.76 A)
&rst
ixpk= 1016, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 761, 762,
igr2= 758, 759,
&end
#
# 51 LYS HD+ 51 LYS HE- 2.80 (# 512:20 Unique 2.25, 2.76 A)
&rst
ixpk= 512, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 758, 759,
igr2= 761, 762,
&end
#
# 51 LYS HD+ 53 VAL MGY 2.80 (# 1535:20 Unique 2.63, 4.63 A)
&rst
ixpk= 1535, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1= 758, 759,
igr2= 795, 796, 797, 799, 800, 801,
&end
#
# 51 LYS HE- 51 LYS HG+ 5.50 (# 2713:20 Unique 2.43, 3.38 A)
&rst
ixpk= 2713, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 761, 762,
igr2= 755, 756,
&end
#
# 51 LYS HG+ 52 ILE HN 2.80 (# 773:10 Unique 2.05, 2.78 A)
&rst
ixpk= 773, nxpk= 10, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 755, 756,
&end
#
# 52 ILE HN 51 LYS HG- 3.50 (# 1264:20 Unique 2.05, 2.78 A)
&rst
ixpk= 1264, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 755, 756,
&end
#
# 52 ILE HA 52 ILE HG1+ 4.50 (# 2519:20 Unique 2.43, 2.83 A)
&rst
ixpk= 2519, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 780, 781,
&end
#
# 52 ILE HG1- 52 ILE HA 3.50 (# 1951:20 Unique 2.43, 2.83 A)
&rst
ixpk= 1951, nxpk= 20, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 780, 781,
&end
#
# 52 ILE HA 52 ILE QD1 5.50 (# 1872:20 Unique 3.80, 4.64 A)
&rst
ixpk= 1872, nxpk= 20, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 783, 784, 785,
&end
#
# 52 ILE HB 52 ILE HN 2.80 (# 68:10 Unique 2.63, 2.67 A)
&rst
ixpk= 68, nxpk= 10, iat= 774, 770, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 52 ILE HB 52 ILE QG2 2.80 (# 1745:20 Unique 2.42, 2.67 A)
&rst
ixpk= 1745, nxpk= 20, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 776, 777, 778,
&end
#
# 52 ILE HG1- 52 ILE QD1 2.80 (# 1869:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1869, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 780, 781,
igr2= 783, 784, 785,
&end
#
# 52 ILE HN 52 ILE QD1 4.50 (# 1863:20 Unique 2.70, 5.06 A)
&rst
ixpk= 1863, nxpk= 20, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 783, 784, 785,
&end
#
# 53 VAL HB 53 VAL HA 3.50 (# 1961:20 Unique 3.04, 3.05 A)
&rst
ixpk= 1961, nxpk= 20, iat= 793, 791, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 53 VAL HB 53 VAL HN 2.80 (# 129:10 Unique 2.54, 2.65 A)
&rst
ixpk= 129, nxpk= 10, iat= 793, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 LYS HA 54 LYS HB+ 3.50 (# 735:20 Unique 2.34, 2.76 A)
&rst
ixpk= 735, nxpk= 20, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 809, 810,
&end
#
# 54 LYS HB- 54 LYS HA 3.50 (# 1977:20 Unique 2.34, 2.76 A)
&rst
ixpk= 1977, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 809, 810,
&end
#
# 54 LYS HA 54 LYS HD+ 5.50 (# 2523:20 Unique 2.35, 4.61 A)
&rst
ixpk= 2523, nxpk= 20, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 815, 816,
&end
#
# 54 LYS HA 54 LYS HD- 5.50 (# 2524:20 Unique 2.35, 4.61 A)
&rst
ixpk= 2524, nxpk= 20, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 815, 816,
&end
#
# 54 LYS HG+ 54 LYS HA 4.50 (# 2749:20 Unique 2.30, 2.84 A)
&rst
ixpk= 2749, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 812, 813,
&end
#
# 54 LYS HG- 54 LYS HA 4.50 (# 1980:20 Unique 2.30, 2.84 A)
&rst
ixpk= 1980, nxpk= 20, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 812, 813,
&end
#
# 55 ILE HN 54 LYS HA 2.80 (# 1973:20 Unique 2.18, 2.25 A)
&rst
ixpk= 1973, nxpk= 20, iat= 827, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 54 LYS HG+ 54 LYS HB+ 3.50 (# 738:20 Unique 2.37, 2.76 A)
&rst
ixpk= 738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 812, 813,
igr2= 809, 810,
&end
#
# 54 LYS HG- 54 LYS HB+ 3.50 (# 739:20 Unique 2.37, 2.76 A)
&rst
ixpk= 739, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 812, 813,
igr2= 809, 810,
&end
#
# 54 LYS HN 54 LYS HB+ 3.50 (# 740:20 Unique 2.21, 3.05 A)
&rst
ixpk= 740, nxpk= 20, iat= 805, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 809, 810,
&end
#
# 54 LYS HB+ 55 ILE HN 4.50 (# 1027:10 Unique 3.01, 3.66 A)
&rst
ixpk= 1027, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 809, 810,
&end
#
# 54 LYS HB- 54 LYS HD- 3.50 (# 1034:20 Unique 2.35, 3.24 A)
&rst
ixpk= 1034, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 809, 810,
igr2= 815, 816,
&end
#
# 54 LYS HB- 54 LYS HE+ 2.80 (# 555:20 Unique 2.08, 3.45 A)
&rst
ixpk= 555, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 809, 810,
igr2= 818, 819,
&end
#
# 54 LYS HB- 54 LYS HG+ 2.80 (# 1281:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1281, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 809, 810,
igr2= 812, 813,
&end
#
# 54 LYS HG- 54 LYS HB- 3.50 (# 729:20 Unique 2.37, 2.76 A)
&rst
ixpk= 729, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 812, 813,
igr2= 809, 810,
&end
#
# 54 LYS HB- 54 LYS HN 2.80 (# 1012:10 Unique 2.21, 3.05 A)
&rst
ixpk= 1012, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 809, 810,
&end
#
# 54 LYS HB- 55 ILE HN 4.50 (# 1028:10 Unique 3.01, 3.66 A)
&rst
ixpk= 1028, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 809, 810,
&end
#
# 54 LYS HD+ 54 LYS HE+ 2.80 (# 557:20 Unique 2.34, 2.65 A)
&rst
ixpk= 557, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 815, 816,
igr2= 818, 819,
&end
#
# 54 LYS HD- 54 LYS HE+ 2.80 (# 558:20 Unique 2.34, 2.65 A)
&rst
ixpk= 558, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 815, 816,
igr2= 818, 819,
&end
#
# 54 LYS HG+ 54 LYS HN 3.50 (# 1014:10 Unique 2.08, 3.11 A)
&rst
ixpk= 1014, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 812, 813,
&end
#
# 54 LYS HG- 54 LYS HN 2.80 (# 1015:10 Unique 2.08, 3.11 A)
&rst
ixpk= 1015, nxpk= 10, iat= -1, 805, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 812, 813,
&end
#
# 55 ILE HA 55 ILE HB 3.50 (# 546:20 Unique 2.31, 2.34 A)
&rst
ixpk= 546, nxpk= 20, iat= 829, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE HA 55 ILE HG1+ 4.50 (# 2521:20 Unique 2.39, 2.89 A)
&rst
ixpk= 2521, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 837, 838,
&end
#
# 55 ILE HG1- 55 ILE HA 5.50 (# 186:20 Unique 2.39, 2.89 A)
&rst
ixpk= 186, nxpk= 20, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 838,
&end
#
# 55 ILE HA 55 ILE HN 3.50 (# 1031:10 Unique 2.93, 2.94 A)
&rst
ixpk= 1031, nxpk= 10, iat= 829, 827, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 55 ILE HA 55 ILE QG2 4.50 (# 1829:20 Unique 3.73, 3.96 A)
&rst
ixpk= 1829, nxpk= 20, iat= 829, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 833, 834, 835,
&end
#
# 55 ILE HA 56 ASP HN 2.80 (# 63:10 Unique 2.12, 2.15 A)
&rst
ixpk= 63, nxpk= 10, iat= 829, 846, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 55 ILE HB 55 ILE HG1+ 3.50 (# 1076:20 Unique 2.49, 2.78 A)
&rst
ixpk= 1076, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 837, 838,
&end
#
# 55 ILE HG1- 55 ILE HB 3.50 (# 547:20 Unique 2.49, 2.78 A)
&rst
ixpk= 547, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 837, 838,
&end
#
# 55 ILE HN 55 ILE HB 4.50 (# 2210:20 Unique 3.39, 3.44 A)
&rst
ixpk= 2210, nxpk= 20, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 55 ILE QD1 55 ILE HB 3.50 (# 549:20 Unique 2.46, 3.07 A)
&rst
ixpk= 549, nxpk= 20, iat= -1, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 840, 841, 842,
&end
#
# 55 ILE HB 55 ILE QG2 2.80 (# 1836:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1836, nxpk= 20, iat= 831, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 833, 834, 835,
&end
#
# 56 ASP HN 55 ILE HB 5.50 (# 2300:20 Unique 4.02, 4.09 A)
&rst
ixpk= 2300, nxpk= 20, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 55 ILE HG1+ 55 ILE QD1 2.80 (# 1859:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1859, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 837, 838,
igr2= 840, 841, 842,
&end
#
# 55 ILE HG1+ 55 ILE QG2 3.50 (# 1831:20 Unique 2.57, 3.54 A)
&rst
ixpk= 1831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 837, 838,
igr2= 833, 834, 835,
&end
#
# 55 ILE HG1+ 56 ASP HN 5.50 (# 1035:10 Unique 2.56, 2.99 A)
&rst
ixpk= 1035, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 837, 838,
&end
#
# 60 ASN HB+ 55 ILE HG1+ 4.50 (# 2695:20 Unique 2.54, 3.25 A)
&rst
ixpk= 2695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906,
igr2= 837, 838,
&end
#
# 55 ILE HG1+ 60 ASN HB- 5.50 (# 2876:20 Unique 2.54, 3.25 A)
&rst
ixpk= 2876, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 905, 906,
&end
#
# 55 ILE HG1+ 60 ASN HD2+ 5.50 (# 1306:10 Unique 2.78, 3.33 A)
&rst
ixpk= 1306, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 910, 911,
&end
#
# 55 ILE HG1+ 60 ASN HD2- 5.50 (# 1307:10 Unique 2.78, 3.33 A)
&rst
ixpk= 1307, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 910, 911,
&end
#
# 55 ILE HG1- 55 ILE QD1 2.80 (# 1857:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 837, 838,
igr2= 840, 841, 842,
&end
#
# 55 ILE HG1- 55 ILE QG2 4.50 (# 1835:20 Unique 2.57, 3.54 A)
&rst
ixpk= 1835, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 837, 838,
igr2= 833, 834, 835,
&end
#
# 55 ILE HG1- 56 ASP HN 3.50 (# 1033:10 Unique 2.56, 2.99 A)
&rst
ixpk= 1033, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 837, 838,
&end
#
# 55 ILE HG1- 60 ASN HB+ 5.50 (# 2880:20 Unique 2.54, 3.25 A)
&rst
ixpk= 2880, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 905, 906,
&end
#
# 55 ILE HG1- 60 ASN HB- 5.50 (# 2879:20 Unique 2.54, 3.25 A)
&rst
ixpk= 2879, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 905, 906,
&end
#
# 55 ILE HG1- 60 ASN HD2+ 5.50 (# 1302:10 Unique 2.78, 3.33 A)
&rst
ixpk= 1302, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 910, 911,
&end
#
# 55 ILE HG1- 60 ASN HD2- 5.50 (# 1303:10 Unique 2.78, 3.33 A)
&rst
ixpk= 1303, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 837, 838,
igr2= 910, 911,
&end
#
# 55 ILE QG2 55 ILE HN 3.00 (# 198:10 Unique 2.50, 3.21 A)
&rst
ixpk= 198, nxpk= 10, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr1= 833, 834, 835,
&end
#
# 55 ILE QG2 55 ILE QD1 2.80 (# 1860:20 Unique 2.21, 3.84 A)
&rst
ixpk= 1860, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 833, 834, 835,
igr2= 840, 841, 842,
&end
#
# 55 ILE QD1 6 ALA MB 4.50 (# 1369:20 Unique 3.03, 5.07 A)
&rst
ixpk= 1369, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 840, 841, 842,
igr2= 92, 93, 94,
&end
#
# 60 ASN HA 55 ILE QD1 5.50 (# 2497:20 Unique 4.48, 5.65 A)
&rst
ixpk= 2497, nxpk= 20, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 840, 841, 842,
&end
#
# 60 ASN HB+ 55 ILE QD1 4.50 (# 1856:20 Unique 2.37, 3.80 A)
&rst
ixpk= 1856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 905, 906,
igr2= 840, 841, 842,
&end
#
# 55 ILE QD1 60 ASN HB- 4.50 (# 599:20 Unique 2.37, 3.80 A)
&rst
ixpk= 599, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 840, 841, 842,
igr2= 905, 906,
&end
#
# 60 ASN HD2+ 55 ILE QD1 5.50 (# 2259:20 Unique 3.76, 4.82 A)
&rst
ixpk= 2259, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 910, 911,
igr2= 840, 841, 842,
&end
#
# 63 THR HA 55 ILE QD1 5.50 (# 1854:20 Unique 5.45, 6.13 A)
&rst
ixpk= 1854, nxpk= 20, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 840, 841, 842,
&end
#
# 55 ILE QD1 7 THR HN 5.50 (# 669:10 Unique 3.92, 4.99 A)
&rst
ixpk= 669, nxpk= 10, iat= -1, 98, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 840, 841, 842,
&end
#
# 8 ASP HA 55 ILE QD1 5.50 (# 2498:20 Unique 3.48, 4.14 A)
&rst
ixpk= 2498, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 840, 841, 842,
&end
#
# 55 ILE QD1 8 ASP HN 4.50 (# 679:10 Unique 2.96, 4.03 A)
&rst
ixpk= 679, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 840, 841, 842,
&end
#
# 55 ILE QG2 56 ASP HN 5.50 (# 1036:10 Unique 4.56, 5.15 A)
&rst
ixpk= 1036, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 833, 834, 835,
&end
#
# 57 VAL HA 55 ILE QG2 5.50 (# 2679:20 Unique 5.06, 6.34 A)
&rst
ixpk= 2679, nxpk= 20, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 833, 834, 835,
&end
#
# 55 ILE QG2 57 VAL MGX 4.50 (# 1345:20 Unique 4.38, 7.55 A)
&rst
ixpk= 1345, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 833, 834, 835,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 60 ASN HB+ 55 ILE QG2 4.50 (# 1830:20 Unique 4.70, 5.68 A)
&rst
ixpk= 1830, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 905, 906,
igr2= 833, 834, 835,
&end
#
# 55 ILE QG2 60 ASN HB- 5.50 (# 2878:20 Unique 4.70, 5.68 A)
&rst
ixpk= 2878, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 833, 834, 835,
igr2= 905, 906,
&end
#
# 60 ASN HD2+ 55 ILE QG2 5.50 (# 2258:20 Unique 5.28, 6.50 A)
&rst
ixpk= 2258, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 910, 911,
igr2= 833, 834, 835,
&end
#
# 56 ASP HA 56 ASP HB+ 3.50 (# 568:20 Unique 2.40, 2.73 A)
&rst
ixpk= 568, nxpk= 20, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 850, 851,
&end
#
# 56 ASP HB- 56 ASP HA 4.50 (# 2737:20 Unique 2.40, 2.73 A)
&rst
ixpk= 2737, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 56 ASP HA 56 ASP HN 4.50 (# 1040:10 Unique 2.90, 2.92 A)
&rst
ixpk= 1040, nxpk= 10, iat= 848, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 56 ASP HA 57 VAL HN 2.80 (# 179:10 Unique 2.19, 2.23 A)
&rst
ixpk= 179, nxpk= 10, iat= 848, 858, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL MGY 56 ASP HA 5.50 (# 2886:20 Unique 3.97, 5.04 A)
&rst
ixpk= 2886, nxpk= 20, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 56 ASP HB+ 56 ASP HN 2.80 (# 65:10 Unique 2.36, 2.57 A)
&rst
ixpk= 65, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 850, 851,
&end
#
# 56 ASP HB+ 57 VAL HN 4.50 (# 1045:10 Unique 4.30, 4.40 A)
&rst
ixpk= 1045, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 850, 851,
&end
#
# 56 ASP HB- 56 ASP HN 2.80 (# 64:10 Unique 2.36, 2.57 A)
&rst
ixpk= 64, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 850, 851,
&end
#
# 59 GLU HB+ 56 ASP HB- 4.50 (# 2793:20 Unique 2.28, 4.65 A)
&rst
ixpk= 2793, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 890, 891,
igr2= 850, 851,
&end
#
# 56 ASP HB- 60 ASN HD2+ 3.50 (# 1296:10 Unique 2.75, 3.92 A)
&rst
ixpk= 1296, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 850, 851,
igr2= 910, 911,
&end
#
# 56 ASP HB- 60 ASN HD2- 4.50 (# 1297:10 Unique 2.75, 3.92 A)
&rst
ixpk= 1297, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 850, 851,
igr2= 910, 911,
&end
#
# 56 ASP HN 57 VAL HN 5.50 (# 1043:10 Unique 4.43, 4.48 A)
&rst
ixpk= 1043, nxpk= 10, iat= 846, 858, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HD2+ 56 ASP HN 4.50 (# 1042:10 Unique 2.58, 2.98 A)
&rst
ixpk= 1042, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 910, 911,
&end
#
# 60 ASN HD2- 56 ASP HN 4.50 (# 62:10 Unique 2.58, 2.98 A)
&rst
ixpk= 62, nxpk= 10, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 910, 911,
&end
#
# 57 VAL HA 57 VAL HB 2.80 (# 970:20 Unique 2.46, 2.48 A)
&rst
ixpk= 970, nxpk= 20, iat= 860, 862, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL HN 57 VAL HA 3.50 (# 85:20 Unique 2.83, 2.84 A)
&rst
ixpk= 85, nxpk= 20, iat= 858, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL MGX 57 VAL HA 2.80 (# 82:20 Unique 2.37, 3.51 A)
&rst
ixpk= 82, nxpk= 20, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL MGY 57 VAL HA 3.50 (# 2103:20 Unique 2.37, 3.51 A)
&rst
ixpk= 2103, nxpk= 20, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL HA 59 GLU HN 5.50 (# 1062:10 Unique 3.62, 3.88 A)
&rst
ixpk= 1062, nxpk= 10, iat= 860, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB+ 57 VAL HA 5.50 (# 2102:20 Unique 2.65, 3.64 A)
&rst
ixpk= 2102, nxpk= 20, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 905, 906,
&end
#
# 57 VAL HA 60 ASN HN 3.50 (# 313:10 Unique 2.94, 3.15 A)
&rst
ixpk= 313, nxpk= 10, iat= 860, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 57 VAL HB 57 VAL HN 4.50 (# 1046:10 Unique 3.63, 3.64 A)
&rst
ixpk= 1046, nxpk= 10, iat= 862, 858, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 57 VAL HB 57 VAL MGX 2.80 (# 1344:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1344, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL HB 57 VAL MGY 2.80 (# 1705:20 Unique 2.40, 2.65 A)
&rst
ixpk= 1705, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL HB 64 ALA MB 3.50 (# 1735:20 Unique 3.28, 3.99 A)
&rst
ixpk= 1735, nxpk= 20, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 965, 966, 967,
&end
#
# 57 VAL MGX 57 VAL HN 2.80 (# 181:10 Unique 2.05, 3.10 A)
&rst
ixpk= 181, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL MGY 57 VAL HN 2.80 (# 180:10 Unique 2.05, 3.10 A)
&rst
ixpk= 180, nxpk= 10, iat= -1, 858, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 58 ASP HN 57 VAL HN 2.80 (# 178:10 Unique 2.79, 2.82 A)
&rst
ixpk= 178, nxpk= 10, iat= 874, 858, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 57 VAL MGX 58 ASP HN 5.50 (# 1051:10 Unique 2.54, 4.32 A)
&rst
ixpk= 1051, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL MGX 64 ALA MB 2.80 (# 1737:20 Unique 2.43, 5.31 A)
&rst
ixpk= 1737, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 965, 966, 967,
&end
#
# 57 VAL MGX 69 VAL MGX 5.50 (# 2842:20 Unique 2.72, 6.64 A)
&rst
ixpk= 2842, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1= 864, 865, 866, 868, 869, 870,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 57 VAL MGY 58 ASP HN 3.50 (# 1049:10 Unique 2.54, 4.32 A)
&rst
ixpk= 1049, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 864, 865, 866, 868, 869, 870,
&end
#
# 57 VAL MGY 64 ALA MB 4.50 (# 1738:20 Unique 2.43, 5.31 A)
&rst
ixpk= 1738, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 864, 865, 866, 868, 869, 870,
igr2= 965, 966, 967,
&end
#
# 57 VAL MGY 72 ILE QD1 3.50 (# 1811:20 Unique 2.22, 4.48 A)
&rst
ixpk= 1811, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 864, 865, 866, 868, 869, 870,
igr2=1085,1086,1087,
&end
#
# 58 ASP HA 58 ASP HB+ 2.80 (# 593:20 Unique 2.43, 2.76 A)
&rst
ixpk= 593, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 878, 879,
&end
#
# 58 ASP HA 58 ASP HB- 3.50 (# 590:20 Unique 2.43, 2.76 A)
&rst
ixpk= 590, nxpk= 20, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 878, 879,
&end
#
# 58 ASP HA 58 ASP HN 3.50 (# 162:10 Unique 2.83, 2.88 A)
&rst
ixpk= 162, nxpk= 10, iat= 876, 874, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 58 ASP HA 59 GLU HN 4.50 (# 1063:10 Unique 3.44, 3.48 A)
&rst
ixpk= 1063, nxpk= 10, iat= 876, 886, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 58 ASP HB+ 58 ASP HN 2.80 (# 164:10 Unique 2.43, 2.53 A)
&rst
ixpk= 164, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 878, 879,
&end
#
# 58 ASP HB+ 59 GLU HN 3.50 (# 1060:10 Unique 2.72, 3.64 A)
&rst
ixpk= 1060, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 878, 879,
&end
#
# 58 ASP HB- 58 ASP HN 2.80 (# 163:10 Unique 2.43, 2.53 A)
&rst
ixpk= 163, nxpk= 10, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 878, 879,
&end
#
# 58 ASP HB- 59 GLU HG+ 5.50 (# 2931:20 Unique 2.69, 4.56 A)
&rst
ixpk= 2931, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 878, 879,
igr2= 893, 894,
&end
#
# 58 ASP HB- 59 GLU HN 3.50 (# 1061:10 Unique 2.72, 3.64 A)
&rst
ixpk= 1061, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 878, 879,
&end
#
# 58 ASP HN 59 GLU HN 2.80 (# 459:10 Unique 2.32, 2.61 A)
&rst
ixpk= 459, nxpk= 10, iat= 874, 886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 58 ASP HN 60 ASN HN 4.50 (# 1065:10 Unique 3.69, 3.97 A)
&rst
ixpk= 1065, nxpk= 10, iat= 874, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 59 GLU HB+ 59 GLU HA 3.50 (# 2784:20 Unique 2.48, 2.78 A)
&rst
ixpk= 2784, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 891,
&end
#
# 59 GLU HA 59 GLU HB- 2.80 (# 889:20 Unique 2.48, 2.78 A)
&rst
ixpk= 889, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 890, 891,
&end
#
# 59 GLU HG+ 59 GLU HA 3.50 (# 274:20 Unique 2.42, 2.92 A)
&rst
ixpk= 274, nxpk= 20, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 893, 894,
&end
#
# 59 GLU HA 59 GLU HG- 2.80 (# 675:20 Unique 2.42, 2.92 A)
&rst
ixpk= 675, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 893, 894,
&end
#
# 59 GLU HA 59 GLU HN 3.50 (# 462:10 Unique 2.90, 2.98 A)
&rst
ixpk= 462, nxpk= 10, iat= 888, 886, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLU HA 60 ASN HN 3.50 (# 1066:10 Unique 3.21, 3.32 A)
&rst
ixpk= 1066, nxpk= 10, iat= 888, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 59 GLU HA 61 GLN HG+ 5.50 (# 2552:20 Unique 4.48, 5.59 A)
&rst
ixpk= 2552, nxpk= 20, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 922, 923,
&end
#
# 59 GLU HB+ 59 GLU HN 2.80 (# 464:10 Unique 2.36, 3.10 A)
&rst
ixpk= 464, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 890, 891,
&end
#
# 59 GLU HB+ 60 ASN HD2+ 3.50 (# 1300:10 Unique 2.29, 3.31 A)
&rst
ixpk= 1300, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 890, 891,
igr2= 910, 911,
&end
#
# 59 GLU HB+ 60 ASN HD2- 3.50 (# 1301:10 Unique 2.29, 3.31 A)
&rst
ixpk= 1301, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 890, 891,
igr2= 910, 911,
&end
#
# 59 GLU HB+ 60 ASN HN 3.50 (# 1070:10 Unique 3.31, 4.01 A)
&rst
ixpk= 1070, nxpk= 10, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 890, 891,
&end
#
# 59 GLU HG+ 59 GLU HB- 2.80 (# 890:20 Unique 2.36, 2.74 A)
&rst
ixpk= 890, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 893, 894,
igr2= 890, 891,
&end
#
# 59 GLU HN 59 GLU HB- 4.50 (# 888:20 Unique 2.36, 3.10 A)
&rst
ixpk= 888, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 890, 891,
&end
#
# 59 GLU HG+ 59 GLU HN 3.50 (# 1058:10 Unique 2.49, 3.44 A)
&rst
ixpk= 1058, nxpk= 10, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 893, 894,
&end
#
# 59 GLU HN 59 GLU HG- 5.50 (# 2413:20 Unique 2.49, 3.44 A)
&rst
ixpk= 2413, nxpk= 20, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 893, 894,
&end
#
# 59 GLU HN 60 ASN HD2+ 5.50 (# 1287:10 Unique 2.94, 3.78 A)
&rst
ixpk= 1287, nxpk= 10, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 910, 911,
&end
#
# 59 GLU HN 60 ASN HD2- 5.50 (# 1288:10 Unique 2.94, 3.78 A)
&rst
ixpk= 1288, nxpk= 10, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 910, 911,
&end
#
# 60 ASN HN 59 GLU HN 2.80 (# 460:10 Unique 2.05, 2.23 A)
&rst
ixpk= 460, nxpk= 10, iat= 901, 886, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 ALA HA 6 ALA MB 2.80 (# 1372:20 Unique 2.44, 2.67 A)
&rst
ixpk= 1372, nxpk= 20, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 92, 93, 94,
&end
#
# 6 ALA HA 7 THR HN 2.80 (# 620:10 Unique 2.35, 2.42 A)
&rst
ixpk= 620, nxpk= 10, iat= 90, 98, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 6 ALA MB 6 ALA HN 2.80 (# 87:10 Unique 2.73, 3.34 A)
&rst
ixpk= 87, nxpk= 10, iat= -1, 88, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 92, 93, 94,
&end
#
# 7 THR HN 6 ALA HN 5.50 (# 665:10 Unique 4.38, 4.42 A)
&rst
ixpk= 665, nxpk= 10, iat= 98, 88, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 7 THR HN 6 ALA MB 3.50 (# 1365:20 Unique 2.20, 3.16 A)
&rst
ixpk= 1365, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 92, 93, 94,
&end
#
# 60 ASN HB+ 60 ASN HA 3.50 (# 2014:20 Unique 2.45, 2.76 A)
&rst
ixpk= 2014, nxpk= 20, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 905, 906,
&end
#
# 60 ASN HA 60 ASN HB- 3.50 (# 597:20 Unique 2.45, 2.76 A)
&rst
ixpk= 597, nxpk= 20, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 905, 906,
&end
#
# 60 ASN HA 60 ASN HN 3.50 (# 312:10 Unique 2.97, 2.98 A)
&rst
ixpk= 312, nxpk= 10, iat= 903, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 60 ASN HA 61 GLN HN 2.80 (# 305:10 Unique 2.66, 2.77 A)
&rst
ixpk= 305, nxpk= 10, iat= 903, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 60 ASN HA 62 GLU HN 4.50 (# 1073:10 Unique 3.08, 3.21 A)
&rst
ixpk= 1073, nxpk= 10, iat= 903, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 60 ASN HA 8 ASP HN 5.50 (# 680:10 Unique 3.84, 4.00 A)
&rst
ixpk= 680, nxpk= 10, iat= 903, 112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 ASN HB+ 60 ASN HD2+ 2.80 (# 1294:10 Unique 2.26, 3.35 A)
&rst
ixpk= 1294, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 905, 906,
igr2= 910, 911,
&end
#
# 60 ASN HB+ 60 ASN HD2- 3.50 (# 1295:10 Unique 2.26, 3.35 A)
&rst
ixpk= 1295, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 905, 906,
igr2= 910, 911,
&end
#
# 60 ASN HN 60 ASN HB+ 3.50 (# 605:20 Unique 2.74, 3.34 A)
&rst
ixpk= 605, nxpk= 20, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 905, 906,
&end
#
# 61 GLN HN 60 ASN HB+ 5.50 (# 2314:20 Unique 4.25, 4.41 A)
&rst
ixpk= 2314, nxpk= 20, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 905, 906,
&end
#
# 60 ASN HB- 60 ASN HD2+ 3.50 (# 1292:10 Unique 2.26, 3.35 A)
&rst
ixpk= 1292, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 905, 906,
igr2= 910, 911,
&end
#
# 60 ASN HB- 60 ASN HD2- 4.50 (# 1293:10 Unique 2.26, 3.35 A)
&rst
ixpk= 1293, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 905, 906,
igr2= 910, 911,
&end
#
# 60 ASN HB- 60 ASN HN 3.50 (# 1067:10 Unique 2.74, 3.34 A)
&rst
ixpk= 1067, nxpk= 10, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 905, 906,
&end
#
# 61 GLN HN 60 ASN HB- 5.50 (# 2313:20 Unique 4.25, 4.41 A)
&rst
ixpk= 2313, nxpk= 20, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 905, 906,
&end
#
# 8 ASP HN 60 ASN HB- 4.50 (# 2170:20 Unique 3.40, 4.20 A)
&rst
ixpk= 2170, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 905, 906,
&end
#
# 60 ASN HD2+ 60 ASN HN 3.50 (# 310:10 Unique 3.08, 3.87 A)
&rst
ixpk= 310, nxpk= 10, iat= -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 910, 911,
&end
#
# 7 THR HA 60 ASN HD2+ 4.50 (# 1290:10 Unique 2.53, 3.41 A)
&rst
ixpk= 1290, nxpk= 10, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 910, 911,
&end
#
# 7 THR MG2 60 ASN HD2+ 5.50 (# 1304:10 Unique 1.82, 3.90 A)
&rst
ixpk= 1304, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 104, 105, 106,
igr2= 910, 911,
&end
#
# 7 THR HA 60 ASN HD2- 4.50 (# 1291:10 Unique 2.53, 3.41 A)
&rst
ixpk= 1291, nxpk= 10, iat= 100, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 910, 911,
&end
#
# 7 THR MG2 60 ASN HD2- 4.50 (# 1305:10 Unique 1.82, 3.90 A)
&rst
ixpk= 1305, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 104, 105, 106,
igr2= 910, 911,
&end
#
# 60 ASN HD2- 8 ASP HN 5.50 (# 681:10 Unique 3.85, 4.44 A)
&rst
ixpk= 681, nxpk= 10, iat= -1, 112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 910, 911,
&end
#
# 60 ASN HN 61 GLN HE2+ 3.50 (# 539:10 Unique 2.68, 4.07 A)
&rst
ixpk= 539, nxpk= 10, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 927, 928,
&end
#
# 61 GLN HN 60 ASN HN 4.50 (# 1064:10 Unique 2.40, 2.59 A)
&rst
ixpk= 1064, nxpk= 10, iat= 915, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HA 61 GLN HB- 2.80 (# 1039:20 Unique 2.31, 2.78 A)
&rst
ixpk= 1039, nxpk= 20, iat= 917, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 919, 920,
&end
#
# 61 GLN HG+ 61 GLN HA 2.80 (# 216:20 Unique 2.37, 3.23 A)
&rst
ixpk= 216, nxpk= 20, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 922, 923,
&end
#
# 61 GLN HA 61 GLN HN 2.80 (# 306:10 Unique 2.79, 2.81 A)
&rst
ixpk= 306, nxpk= 10, iat= 917, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 61 GLN HA 62 GLU HN 4.50 (# 1074:10 Unique 3.55, 3.57 A)
&rst
ixpk= 1074, nxpk= 10, iat= 917, 932, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 61 GLN HA 64 ALA HN 4.50 (# 1083:10 Unique 3.39, 3.63 A)
&rst
ixpk= 1083, nxpk= 10, iat= 917, 961, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 64 ALA MB 61 GLN HA 3.50 (# 217:20 Unique 2.25, 3.29 A)
&rst
ixpk= 217, nxpk= 20, iat= -1, 917, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 965, 966, 967,
&end
#
# 61 GLN HA 65 GLY HN 5.50 (# 1089:10 Unique 3.54, 3.71 A)
&rst
ixpk= 1089, nxpk= 10, iat= 917, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 61 GLN HB+ 61 GLN HN 2.80 (# 309:10 Unique 2.36, 3.03 A)
&rst
ixpk= 309, nxpk= 10, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 919, 920,
&end
#
# 61 GLN HB+ 62 GLU HN 2.80 (# 175:10 Unique 2.81, 3.37 A)
&rst
ixpk= 175, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 919, 920,
&end
#
# 61 GLN HB+ 64 ALA MB 4.50 (# 1736:20 Unique 4.17, 5.82 A)
&rst
ixpk= 1736, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 919, 920,
igr2= 965, 966, 967,
&end
#
# 61 GLN HB- 61 GLN HN 2.80 (# 308:10 Unique 2.36, 3.03 A)
&rst
ixpk= 308, nxpk= 10, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 919, 920,
&end
#
# 62 GLU HN 61 GLN HB- 5.50 (# 2180:20 Unique 2.81, 3.37 A)
&rst
ixpk= 2180, nxpk= 20, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 919, 920,
&end
#
# 61 GLN HG+ 61 GLN HN 2.80 (# 307:10 Unique 2.23, 3.11 A)
&rst
ixpk= 307, nxpk= 10, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 922, 923,
&end
#
# 61 GLN HG- 61 GLN HN 2.80 (# 303:10 Unique 2.23, 3.11 A)
&rst
ixpk= 303, nxpk= 10, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 922, 923,
&end
#
# 61 GLN HG- 62 GLU HN 5.50 (# 1077:10 Unique 4.54, 4.99 A)
&rst
ixpk= 1077, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 922, 923,
&end
#
# 62 GLU HN 61 GLN HN 2.80 (# 302:10 Unique 2.75, 2.80 A)
&rst
ixpk= 302, nxpk= 10, iat= 932, 915, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLU HA 62 GLU HB+ 2.80 (# 1044:20 Unique 2.42, 2.78 A)
&rst
ixpk= 1044, nxpk= 20, iat= 934, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 936, 937,
&end
#
# 62 GLU HA 62 GLU HN 2.80 (# 172:10 Unique 2.81, 2.84 A)
&rst
ixpk= 172, nxpk= 10, iat= 934, 932, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 THR HN 62 GLU HA 4.50 (# 2148:20 Unique 3.61, 3.65 A)
&rst
ixpk= 2148, nxpk= 20, iat= 947, 934, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 62 GLU HA 65 GLY HN 3.50 (# 1088:10 Unique 3.51, 3.54 A)
&rst
ixpk= 1088, nxpk= 10, iat= 934, 971, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 62 GLU HA 66 LYS HN 5.50 (# 1096:10 Unique 4.22, 4.45 A)
&rst
ixpk= 1096, nxpk= 10, iat= 934, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HB+ 62 GLU HN 2.80 (# 176:10 Unique 2.20, 3.00 A)
&rst
ixpk= 176, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 936, 937,
&end
#
# 63 THR HN 62 GLU HB+ 3.50 (# 1043:20 Unique 2.42, 3.10 A)
&rst
ixpk= 1043, nxpk= 20, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 936, 937,
&end
#
# 62 GLU HB+ 8 ASP HB+ 3.50 (# 542:20 Unique 3.04, 4.49 A)
&rst
ixpk= 542, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 936, 937,
igr2= 116, 117,
&end
#
# 62 GLU HG+ 62 GLU HN 3.50 (# 173:10 Unique 2.24, 3.09 A)
&rst
ixpk= 173, nxpk= 10, iat= -1, 932, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 939, 940,
&end
#
# 62 GLU HN 62 GLU HG- 5.50 (# 696:20 Unique 2.24, 3.09 A)
&rst
ixpk= 696, nxpk= 20, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 939, 940,
&end
#
# 63 THR HA 62 GLU HN 5.50 (# 1078:10 Unique 5.34, 5.37 A)
&rst
ixpk= 1078, nxpk= 10, iat= 949, 932, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 62 GLU HN 63 THR HN 2.80 (# 298:10 Unique 2.80, 2.81 A)
&rst
ixpk= 298, nxpk= 10, iat= 932, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 62 GLU HN 64 ALA HN 5.50 (# 1086:10 Unique 4.15, 4.23 A)
&rst
ixpk= 1086, nxpk= 10, iat= 932, 961, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HB 63 THR HA 3.00 (# 15:20 Unique 2.91, 2.96 A)
&rst
ixpk= 15, nxpk= 20, iat= 951, 949, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 63 THR HA 63 THR HN 2.80 (# 299:10 Unique 2.83, 2.84 A)
&rst
ixpk= 299, nxpk= 10, iat= 949, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 THR HA 63 THR MG2 2.80 (# 1569:20 Unique 2.53, 2.99 A)
&rst
ixpk= 1569, nxpk= 20, iat= 949, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 953, 954, 955,
&end
#
# 64 ALA HN 63 THR HA 5.50 (# 2062:20 Unique 3.59, 3.61 A)
&rst
ixpk= 2062, nxpk= 20, iat= 961, 949, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 TYR HE 63 THR HA 5.50 (# 2059:20 Unique 3.91, 5.13 A)
&rst
ixpk= 2059, nxpk= 20, iat= -1, 949, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1010,1015,
&end
#
# 63 THR HB 63 THR HN 2.80 (# 300:10 Unique 2.80, 2.83 A)
&rst
ixpk= 300, nxpk= 10, iat= 951, 947, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 THR HB 63 THR MG2 2.80 (# 1570:20 Unique 2.39, 2.64 A)
&rst
ixpk= 1570, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 953, 954, 955,
&end
#
# 63 THR HB 66 LYS HB+ 4.50 (# 877:20 Unique 4.73, 5.19 A)
&rst
ixpk= 877, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 982, 983,
&end
#
# 63 THR HB 66 LYS HB- 4.50 (# 898:20 Unique 4.73, 5.19 A)
&rst
ixpk= 898, nxpk= 20, iat= 951, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 982, 983,
&end
#
# 63 THR HB 66 LYS HN 5.50 (# 1095:10 Unique 4.94, 5.07 A)
&rst
ixpk= 1095, nxpk= 10, iat= 951, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR HN 64 ALA HN 2.80 (# 182:10 Unique 2.42, 2.67 A)
&rst
ixpk= 182, nxpk= 10, iat= 947, 961, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 THR HN 65 GLY HN 5.50 (# 1087:10 Unique 3.81, 4.07 A)
&rst
ixpk= 1087, nxpk= 10, iat= 947, 971, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 63 THR MG2 64 ALA HA 5.50 (# 2884:20 Unique 4.55, 5.64 A)
&rst
ixpk= 2884, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 953, 954, 955,
&end
#
# 63 THR MG2 64 ALA HN 4.50 (# 1084:10 Unique 4.28, 4.79 A)
&rst
ixpk= 1084, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 953, 954, 955,
&end
#
# 63 THR MG2 66 LYS HN 5.50 (# 1092:10 Unique 4.66, 5.67 A)
&rst
ixpk= 1092, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 953, 954, 955,
&end
#
# 67 TYR HE 63 THR MG2 2.80 (# 1567:20 Unique 2.27, 4.74 A)
&rst
ixpk= 1567, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1010,1015,
igr2= 953, 954, 955,
&end
#
# 63 THR MG2 67 TYR HN 5.50 (# 1105:10 Unique 5.55, 6.70 A)
&rst
ixpk= 1105, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 953, 954, 955,
&end
#
# 64 ALA HN 64 ALA HA 3.50 (# 293:20 Unique 2.80, 2.81 A)
&rst
ixpk= 293, nxpk= 20, iat= 961, 963, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ALA HA 64 ALA MB 2.80 (# 1734:20 Unique 2.44, 2.68 A)
&rst
ixpk= 1734, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 965, 966, 967,
&end
#
# 64 ALA HA 67 TYR HN 3.80 (# 1100:10 Unique 3.83, 3.85 A)
&rst
ixpk= 1100, nxpk= 10, iat= 963,1000, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 64 ALA HA 69 VAL HB 3.50 (# 986:20 Unique 2.36, 2.49 A)
&rst
ixpk= 986, nxpk= 20, iat= 963,1032, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 64 ALA HA 69 VAL MGX 3.50 (# 1650:20 Unique 2.78, 4.07 A)
&rst
ixpk= 1650, nxpk= 20, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGY 64 ALA HA 5.50 (# 2883:20 Unique 2.78, 4.07 A)
&rst
ixpk= 2883, nxpk= 20, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 64 ALA MB 64 ALA HN 2.80 (# 186:10 Unique 2.40, 2.85 A)
&rst
ixpk= 186, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 965, 966, 967,
&end
#
# 64 ALA HN 65 GLY HN 2.80 (# 639:10 Unique 2.82, 2.85 A)
&rst
ixpk= 639, nxpk= 10, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 64 ALA HN 66 LYS HN 5.50 (# 1097:10 Unique 4.03, 4.07 A)
&rst
ixpk= 1097, nxpk= 10, iat= 961, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 TYR HE 64 ALA HN 5.00 (# 184:10 Unique 4.61, 6.55 A)
&rst
ixpk= 184, nxpk= 10, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1=1010,1015,
&end
#
# 64 ALA MB 65 GLY HN 2.80 (# 641:10 Unique 2.51, 3.37 A)
&rst
ixpk= 641, nxpk= 10, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1= 965, 966, 967,
&end
#
# 64 ALA MB 69 VAL HN 4.50 (# 1112:10 Unique 3.38, 4.65 A)
&rst
ixpk= 1112, nxpk= 10, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 965, 966, 967,
&end
#
# 69 VAL MGX 64 ALA MB 4.50 (# 1762:20 Unique 2.67, 5.05 A)
&rst
ixpk= 1762, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1=1034,1035,1036,1038,1039,1040,
igr2= 965, 966, 967,
&end
#
# 64 ALA MB 69 VAL MGY 2.80 (# 1604:20 Unique 2.67, 5.05 A)
&rst
ixpk= 1604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 965, 966, 967,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 65 GLY HA+ 65 GLY HN 2.80 (# 640:10 Unique 2.25, 2.55 A)
&rst
ixpk= 640, nxpk= 10, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 973, 974,
&end
#
# 66 LYS HB+ 65 GLY HA+ 5.50 (# 2766:20 Unique 4.91, 5.61 A)
&rst
ixpk= 2766, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 982, 983,
igr2= 973, 974,
&end
#
# 66 LYS HB+ 66 LYS HA 2.80 (# 200:20 Unique 2.51, 2.85 A)
&rst
ixpk= 200, nxpk= 20, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 982, 983,
&end
#
# 66 LYS HA 66 LYS HB- 2.80 (# 868:20 Unique 2.51, 2.85 A)
&rst
ixpk= 868, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 982, 983,
&end
#
# 66 LYS HD+ 66 LYS HA 3.80 (# 2788:20 Unique 2.19, 2.94 A)
&rst
ixpk= 2788, nxpk= 20, iat= -1, 980, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 988, 989,
&end
#
# 66 LYS HA 66 LYS HG- 3.50 (# 1285:20 Unique 2.27, 3.28 A)
&rst
ixpk= 1285, nxpk= 20, iat= 980, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 985, 986,
&end
#
# 66 LYS HN 66 LYS HA 3.50 (# 198:20 Unique 2.79, 2.80 A)
&rst
ixpk= 198, nxpk= 20, iat= 978, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 66 LYS HB+ 66 LYS HN 2.80 (# 149:10 Unique 2.06, 2.52 A)
&rst
ixpk= 149, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 982, 983,
&end
#
# 66 LYS HB+ 67 TYR HN 2.80 (# 534:10 Unique 2.88, 3.38 A)
&rst
ixpk= 534, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 982, 983,
&end
#
# 66 LYS HG+ 66 LYS HB- 4.50 (# 870:20 Unique 2.32, 2.61 A)
&rst
ixpk= 870, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1= 985, 986,
igr2= 982, 983,
&end
#
# 66 LYS HB- 66 LYS HN 2.80 (# 148:10 Unique 2.06, 2.52 A)
&rst
ixpk= 148, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 982, 983,
&end
#
# 66 LYS HB- 67 TYR HN 3.50 (# 1101:10 Unique 2.88, 3.38 A)
&rst
ixpk= 1101, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 982, 983,
&end
#
# 66 LYS HE+ 66 LYS HD+ 2.80 (# 1029:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1029, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 991, 992,
igr2= 988, 989,
&end
#
# 66 LYS HG- 66 LYS HD+ 2.80 (# 1028:20 Unique 2.40, 2.70 A)
&rst
ixpk= 1028, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 985, 986,
igr2= 988, 989,
&end
#
# 67 TYR HE 66 LYS HD+ 5.50 (# 2432:20 Unique 2.61, 6.06 A)
&rst
ixpk= 2432, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1010,1015,
igr2= 988, 989,
&end
#
# 66 LYS HE+ 66 LYS HD- 3.50 (# 1031:20 Unique 2.33, 2.73 A)
&rst
ixpk= 1031, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 991, 992,
igr2= 988, 989,
&end
#
# 66 LYS HG- 66 LYS HD- 2.80 (# 1032:20 Unique 2.40, 2.70 A)
&rst
ixpk= 1032, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 985, 986,
igr2= 988, 989,
&end
#
# 67 TYR HE 66 LYS HD- 5.50 (# 2433:20 Unique 2.61, 6.06 A)
&rst
ixpk= 2433, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1010,1015,
igr2= 988, 989,
&end
#
# 67 TYR HE 66 LYS HE+ 5.50 (# 2420:20 Unique 3.67, 6.14 A)
&rst
ixpk= 2420, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1010,1015,
igr2= 991, 992,
&end
#
# 66 LYS HG+ 66 LYS HN 5.50 (# 1091:10 Unique 2.45, 4.41 A)
&rst
ixpk= 1091, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 985, 986,
&end
#
# 66 LYS HG- 66 LYS HN 4.50 (# 1090:10 Unique 2.45, 4.41 A)
&rst
ixpk= 1090, nxpk= 10, iat= -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 985, 986,
&end
#
# 66 LYS HN 67 TYR HN 2.80 (# 528:10 Unique 2.63, 2.80 A)
&rst
ixpk= 528, nxpk= 10, iat= 978,1000, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 68 GLY HN 66 LYS HN 5.50 (# 145:10 Unique 3.81, 3.99 A)
&rst
ixpk= 145, nxpk= 10, iat=1021, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 67 TYR HB+ 67 TYR HA 3.50 (# 203:20 Unique 2.29, 2.63 A)
&rst
ixpk= 203, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1004,1005,
&end
#
# 67 TYR HB- 67 TYR HA 2.80 (# 206:20 Unique 2.29, 2.63 A)
&rst
ixpk= 206, nxpk= 20, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1004,1005,
&end
#
# 67 TYR HA 67 TYR HN 3.50 (# 531:10 Unique 2.98, 2.99 A)
&rst
ixpk= 531, nxpk= 10, iat=1002,1000, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 TYR HA 68 GLY HN 3.50 (# 1110:10 Unique 3.19, 3.26 A)
&rst
ixpk= 1110, nxpk= 10, iat=1002,1021, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 67 TYR HE 67 TYR HB+ 5.50 (# 2926:20 Unique 4.60, 5.10 A)
&rst
ixpk= 2926, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1010,1015,
igr2=1004,1005,
&end
#
# 67 TYR HB+ 67 TYR HN 2.80 (# 533:10 Unique 2.91, 3.35 A)
&rst
ixpk= 533, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1004,1005,
&end
#
# 67 TYR HB+ 68 GLY HN 5.50 (# 1108:10 Unique 3.28, 4.20 A)
&rst
ixpk= 1108, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1004,1005,
&end
#
# 67 TYR HB+ 69 VAL MGX 3.50 (# 1653:20 Unique 2.10, 5.20 A)
&rst
ixpk= 1653, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1004,1005,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGY 67 TYR HB+ 4.50 (# 2858:20 Unique 2.10, 5.20 A)
&rst
ixpk= 2858, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1034,1035,1036,1038,1039,1040,
igr2=1004,1005,
&end
#
# 67 TYR HE 67 TYR HB- 5.50 (# 2417:20 Unique 4.60, 5.10 A)
&rst
ixpk= 2417, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1010,1015,
igr2=1004,1005,
&end
#
# 67 TYR HB- 67 TYR HN 2.80 (# 532:10 Unique 2.91, 3.35 A)
&rst
ixpk= 532, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1004,1005,
&end
#
# 67 TYR HB- 68 GLY HN 5.50 (# 1109:10 Unique 3.28, 4.20 A)
&rst
ixpk= 1109, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1004,1005,
&end
#
# 67 TYR HB- 69 VAL MGX 4.50 (# 1652:20 Unique 2.10, 5.20 A)
&rst
ixpk= 1652, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1004,1005,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 76 LEU HG 67 TYR HB- 4.50 (# 645:20 Unique 3.65, 4.02 A)
&rst
ixpk= 645, nxpk= 20, iat=1145, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1004,1005,
&end
#
# 67 TYR HD 83 VAL MGY 3.50 (# 1377:20 Unique 2.41, 5.50 A)
&rst
ixpk= 1377, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1008,1017,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 67 TYR HE 67 TYR HN 5.50 (# 1098:10 Unique 4.10, 4.80 A)
&rst
ixpk= 1098, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1010,1015,
&end
#
# 67 TYR HE 76 LEU HG 3.50 (# 1183:20 Unique 3.40, 4.25 A)
&rst
ixpk= 1183, nxpk= 20, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1010,1015,
&end
#
# 67 TYR HE 83 VAL HN 5.50 (# 1022:10 Unique 4.16, 6.75 A)
&rst
ixpk= 1022, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1010,1015,
&end
#
# 67 TYR HE 83 VAL MGY 3.50 (# 1378:20 Unique 2.25, 5.48 A)
&rst
ixpk= 1378, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1010,1015,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 67 TYR HN 68 GLY HN 2.80 (# 611:10 Unique 2.02, 2.29 A)
&rst
ixpk= 611, nxpk= 10, iat=1000,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL MGX 67 TYR HN 5.50 (# 1103:10 Unique 3.29, 5.71 A)
&rst
ixpk= 1103, nxpk= 10, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 68 GLY HA+ 68 GLY HN 2.80 (# 612:10 Unique 2.27, 2.57 A)
&rst
ixpk= 612, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1023,1024,
&end
#
# 69 VAL HB 68 GLY HN 5.50 (# 1107:10 Unique 4.50, 4.93 A)
&rst
ixpk= 1107, nxpk= 10, iat=1032,1021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL HN 68 GLY HN 2.80 (# 610:10 Unique 2.28, 2.66 A)
&rst
ixpk= 610, nxpk= 10, iat=1028,1021, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL MGX 68 GLY HN 5.50 (# 1106:10 Unique 3.71, 6.12 A)
&rst
ixpk= 1106, nxpk= 10, iat= -1,1021, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL HB 69 VAL HA 3.50 (# 84:20 Unique 3.04, 3.05 A)
&rst
ixpk= 84, nxpk= 20, iat=1032,1030, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HA 69 VAL HN 3.50 (# 279:10 Unique 2.88, 2.90 A)
&rst
ixpk= 279, nxpk= 10, iat=1030,1028, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HA 69 VAL MGX 2.80 (# 1651:20 Unique 2.50, 3.17 A)
&rst
ixpk= 1651, nxpk= 20, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL HA 69 VAL MGY 2.80 (# 1601:20 Unique 2.50, 3.17 A)
&rst
ixpk= 1601, nxpk= 20, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 70 MET HA 69 VAL HA 5.50 (# 2116:20 Unique 4.45, 4.49 A)
&rst
ixpk= 2116, nxpk= 20, iat=1046,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 70 MET HB+ 69 VAL HA 5.50 (# 2115:20 Unique 4.24, 4.99 A)
&rst
ixpk= 2115, nxpk= 20, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1048,1049,
&end
#
# 69 VAL HA 70 MET HN 2.80 (# 79:10 Unique 2.11, 2.16 A)
&rst
ixpk= 79, nxpk= 10, iat=1030,1044, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL HA 71 SER HN 3.50 (# 1124:10 Unique 3.30, 3.46 A)
&rst
ixpk= 1124, nxpk= 10, iat=1030,1061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 69 VAL HA 74 THR MG2 5.50 (# 2626:20 Unique 3.12, 4.43 A)
&rst
ixpk= 2626, nxpk= 20, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1111,1112,1113,
&end
#
# 69 VAL HB 69 VAL HN 2.80 (# 280:10 Unique 2.35, 2.46 A)
&rst
ixpk= 280, nxpk= 10, iat=1032,1028, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 69 VAL HB 69 VAL MGX 2.80 (# 1654:20 Unique 2.37, 2.65 A)
&rst
ixpk= 1654, nxpk= 20, iat=1032, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGY 69 VAL HB 2.80 (# 987:20 Unique 2.37, 2.65 A)
&rst
ixpk= 987, nxpk= 20, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGX 69 VAL HN 2.80 (# 281:10 Unique 2.17, 3.82 A)
&rst
ixpk= 281, nxpk= 10, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGY 69 VAL HN 3.50 (# 1114:10 Unique 2.17, 3.82 A)
&rst
ixpk= 1114, nxpk= 10, iat= -1,1028, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 70 MET HN 69 VAL HN 5.50 (# 276:10 Unique 4.40, 4.49 A)
&rst
ixpk= 276, nxpk= 10, iat=1044,1028, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 69 VAL MGX 70 MET HN 5.50 (# 1115:10 Unique 2.80, 4.46 A)
&rst
ixpk= 1115, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGX 74 THR HB 4.50 (# 2056:20 Unique 2.45, 3.79 A)
&rst
ixpk= 2056, nxpk= 20, iat= -1,1109, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 74 THR MG2 69 VAL MGX 2.80 (# 1656:20 Unique 2.23, 3.85 A)
&rst
ixpk= 1656, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1111,1112,1113,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGX 76 LEU HG 3.50 (# 1194:20 Unique 3.77, 5.57 A)
&rst
ixpk= 1194, nxpk= 20, iat= -1,1145, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 76 LEU MDX 69 VAL MGX 4.50 (# 1657:20 Unique 2.26, 5.91 A)
&rst
ixpk= 1657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
igr1=1147,1148,1149,1151,1152,1153,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 70 MET HA 69 VAL MGY 5.50 (# 2507:20 Unique 3.34, 5.83 A)
&rst
ixpk= 2507, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGY 70 MET HN 3.50 (# 1116:10 Unique 2.80, 4.46 A)
&rst
ixpk= 1116, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 69 VAL MGY 71 SER HN 3.50 (# 1125:10 Unique 2.72, 4.69 A)
&rst
ixpk= 1125, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1034,1035,1036,1038,1039,1040,
&end
#
# 74 THR HB 69 VAL MGY 2.80 (# 1600:20 Unique 2.45, 3.79 A)
&rst
ixpk= 1600, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 74 THR MG2 69 VAL MGY 2.80 (# 1605:20 Unique 2.23, 3.85 A)
&rst
ixpk= 1605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1111,1112,1113,
igr2=1034,1035,1036,1038,1039,1040,
&end
#
# 7 THR HA 8 ASP HN 2.80 (# 263:10 Unique 2.40, 2.48 A)
&rst
ixpk= 263, nxpk= 10, iat= 100, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 THR HB 7 THR MG2 2.80 (# 1493:20 Unique 2.43, 2.66 A)
&rst
ixpk= 1493, nxpk= 20, iat= 102, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2= 104, 105, 106,
&end
#
# 7 THR HB 9 GLN HN 2.80 (# 480:10 Unique 2.72, 2.80 A)
&rst
ixpk= 480, nxpk= 10, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 7 THR HN 7 THR MG2 4.50 (# 1491:20 Unique 3.43, 4.19 A)
&rst
ixpk= 1491, nxpk= 20, iat= 98, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 104, 105, 106,
&end
#
# 70 MET HB+ 70 MET HA 3.50 (# 302:20 Unique 2.40, 2.77 A)
&rst
ixpk= 302, nxpk= 20, iat= -1,1046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 70 MET HA 70 MET HB- 3.50 (# 799:20 Unique 2.40, 2.77 A)
&rst
ixpk= 799, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1048,1049,
&end
#
# 70 MET HA 70 MET HG+ 4.50 (# 913:20 Unique 2.38, 2.95 A)
&rst
ixpk= 913, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1051,1052,
&end
#
# 70 MET HA 70 MET HG- 4.50 (# 918:20 Unique 2.38, 2.95 A)
&rst
ixpk= 918, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1051,1052,
&end
#
# 70 MET HA 70 MET HN 3.50 (# 1121:10 Unique 2.89, 2.97 A)
&rst
ixpk= 1121, nxpk= 10, iat=1046,1044, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 MET HA 71 SER HB+ 5.50 (# 64:20 Unique 5.69, 6.06 A)
&rst
ixpk= 64, nxpk= 20, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1065,1066,
&end
#
# 70 MET HA 71 SER HN 3.50 (# 1123:10 Unique 3.19, 3.26 A)
&rst
ixpk= 1123, nxpk= 10, iat=1046,1061, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 70 MET HB+ 70 MET HG+ 2.80 (# 916:20 Unique 2.40, 2.72 A)
&rst
ixpk= 916, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1048,1049,
igr2=1051,1052,
&end
#
# 70 MET HB+ 70 MET HG- 2.80 (# 920:20 Unique 2.40, 2.72 A)
&rst
ixpk= 920, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1048,1049,
igr2=1051,1052,
&end
#
# 70 MET HB+ 70 MET HN 2.80 (# 1117:10 Unique 2.59, 3.18 A)
&rst
ixpk= 1117, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1048,1049,
&end
#
# 70 MET HB+ 71 SER HN 3.50 (# 1126:10 Unique 2.81, 4.02 A)
&rst
ixpk= 1126, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 70 MET HB- 70 MET HN 3.50 (# 1118:10 Unique 2.59, 3.18 A)
&rst
ixpk= 1118, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1048,1049,
&end
#
# 70 MET HB- 71 SER HB+ 5.50 (# 2087:20 Unique 4.77, 5.87 A)
&rst
ixpk= 2087, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1048,1049,
igr2=1065,1066,
&end
#
# 70 MET HB- 71 SER HN 4.50 (# 1127:10 Unique 2.81, 4.02 A)
&rst
ixpk= 1127, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1048,1049,
&end
#
# 70 MET HG+ 70 MET HN 5.50 (# 1120:10 Unique 2.10, 3.89 A)
&rst
ixpk= 1120, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1051,1052,
&end
#
# 70 MET HG- 70 MET HN 4.50 (# 1119:10 Unique 2.10, 3.89 A)
&rst
ixpk= 1119, nxpk= 10, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1051,1052,
&end
#
# 70 MET HN 71 SER HN 2.80 (# 506:10 Unique 1.75, 1.93 A)
&rst
ixpk= 506, nxpk= 10, iat=1044,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 SER HA 71 SER HB+ 2.80 (# 63:20 Unique 2.42, 2.76 A)
&rst
ixpk= 63, nxpk= 20, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1065,1066,
&end
#
# 71 SER HA 71 SER HN 2.80 (# 507:10 Unique 2.84, 2.90 A)
&rst
ixpk= 507, nxpk= 10, iat=1063,1061, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 SER HA 72 ILE HN 2.80 (# 475:10 Unique 2.31, 2.44 A)
&rst
ixpk= 475, nxpk= 10, iat=1063,1072, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 71 SER HB+ 71 SER HN 2.80 (# 508:10 Unique 2.58, 3.36 A)
&rst
ixpk= 508, nxpk= 10, iat= -1,1061, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1065,1066,
&end
#
# 71 SER HB+ 72 ILE HN 2.80 (# 476:10 Unique 2.47, 3.16 A)
&rst
ixpk= 476, nxpk= 10, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1065,1066,
&end
#
# 71 SER HB+ 88 VAL MGX 2.80 (# 1554:20 Unique 2.43, 4.87 A)
&rst
ixpk= 1554, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1065,1066,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 71 SER HB+ 88 VAL MGY 3.50 (# 1616:20 Unique 2.43, 4.87 A)
&rst
ixpk= 1616, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1065,1066,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 71 SER HN 72 ILE HN 5.50 (# 474:10 Unique 4.29, 4.33 A)
&rst
ixpk= 474, nxpk= 10, iat=1061,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE HG1+ 72 ILE HB 4.50 (# 2860:20 Unique 2.43, 2.76 A)
&rst
ixpk= 2860, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1082,1083,
&end
#
# 72 ILE HG1- 72 ILE HB 4.50 (# 561:20 Unique 2.43, 2.76 A)
&rst
ixpk= 561, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1082,1083,
&end
#
# 72 ILE HB 72 ILE HN 5.50 (# 1131:10 Unique 3.85, 3.88 A)
&rst
ixpk= 1131, nxpk= 10, iat=1076,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 72 ILE HB 72 ILE QD1 3.50 (# 1808:20 Unique 2.46, 3.15 A)
&rst
ixpk= 1808, nxpk= 20, iat=1076, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1085,1086,1087,
&end
#
# 72 ILE QG2 72 ILE HB 2.80 (# 564:20 Unique 2.35, 2.64 A)
&rst
ixpk= 564, nxpk= 20, iat= -1,1076, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1078,1079,1080,
&end
#
# 72 ILE HB 73 PRO HA 2.80 (# 1933:20 Unique 2.07, 2.13 A)
&rst
ixpk= 1933, nxpk= 20, iat=1076,1101, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 72 ILE HB 74 THR HN 3.50 (# 1140:10 Unique 3.51, 3.54 A)
&rst
ixpk= 1140, nxpk= 10, iat=1076,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 72 ILE HG1+ 72 ILE HN 3.50 (# 477:10 Unique 2.44, 2.80 A)
&rst
ixpk= 477, nxpk= 10, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1082,1083,
&end
#
# 72 ILE HG1- 72 ILE HN 2.80 (# 1130:10 Unique 2.44, 2.80 A)
&rst
ixpk= 1130, nxpk= 10, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1082,1083,
&end
#
# 72 ILE HG1- 72 ILE QD1 3.50 (# 1809:20 Unique 2.33, 2.65 A)
&rst
ixpk= 1809, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1082,1083,
igr2=1085,1086,1087,
&end
#
# 72 ILE QG2 72 ILE HG1- 2.80 (# 1274:20 Unique 2.45, 3.58 A)
&rst
ixpk= 1274, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1078,1079,1080,
igr2=1082,1083,
&end
#
# 72 ILE HN 72 ILE QD1 5.50 (# 2255:20 Unique 4.68, 4.97 A)
&rst
ixpk= 2255, nxpk= 20, iat=1072, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1085,1086,1087,
&end
#
# 72 ILE QG2 72 ILE HN 4.50 (# 1128:10 Unique 3.24, 4.21 A)
&rst
ixpk= 1128, nxpk= 10, iat= -1,1072, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1=1078,1079,1080,
&end
#
# 72 ILE QG2 72 ILE QD1 2.80 (# 1812:20 Unique 2.26, 3.66 A)
&rst
ixpk= 1812, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1078,1079,1080,
igr2=1085,1086,1087,
&end
#
# 74 THR HB 72 ILE QG2 5.50 (# 2675:20 Unique 2.35, 3.89 A)
&rst
ixpk= 2675, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1078,1079,1080,
&end
#
# 72 ILE QG2 74 THR HN 3.50 (# 1143:10 Unique 3.01, 4.19 A)
&rst
ixpk= 1143, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1078,1079,1080,
&end
#
# 73 PRO HA 73 PRO HB- 4.50 (# 2549:20 Unique 2.28, 2.51 A)
&rst
ixpk= 2549, nxpk= 20, iat=1101, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1098,1099,
&end
#
# 73 PRO HA 74 THR HN 2.80 (# 255:10 Unique 2.21, 2.23 A)
&rst
ixpk= 255, nxpk= 10, iat=1101,1105, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 73 PRO HB- 73 PRO HD+ 5.50 (# 2732:20 Unique 2.90, 3.72 A)
&rst
ixpk= 2732, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1098,1099,
igr2=1092,1093,
&end
#
# 73 PRO HB- 73 PRO HD- 5.50 (# 2731:20 Unique 2.90, 3.72 A)
&rst
ixpk= 2731, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1098,1099,
igr2=1092,1093,
&end
#
# 73 PRO HB- 73 PRO HG+ 3.50 (# 1325:20 Unique 2.36, 2.62 A)
&rst
ixpk= 1325, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1098,1099,
igr2=1095,1096,
&end
#
# 73 PRO HB- 74 THR HN 4.50 (# 1138:10 Unique 3.19, 3.58 A)
&rst
ixpk= 1138, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1098,1099,
&end
#
# 73 PRO HD+ 73 PRO HG+ 2.80 (# 1326:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1326, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1092,1093,
igr2=1095,1096,
&end
#
# 73 PRO HD- 73 PRO HG+ 3.50 (# 1297:20 Unique 2.31, 2.61 A)
&rst
ixpk= 1297, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1092,1093,
igr2=1095,1096,
&end
#
# 74 THR HA 74 THR HB 5.50 (# 2055:20 Unique 2.94, 3.03 A)
&rst
ixpk= 2055, nxpk= 20, iat=1107,1109, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR HA 74 THR HN 3.50 (# 1134:10 Unique 2.98, 2.98 A)
&rst
ixpk= 1134, nxpk= 10, iat=1107,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HA 74 THR MG2 2.80 (# 1497:20 Unique 2.45, 3.27 A)
&rst
ixpk= 1497, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1111,1112,1113,
&end
#
# 74 THR HA 75 LEU HN 2.80 (# 1149:10 Unique 2.10, 2.18 A)
&rst
ixpk= 1149, nxpk= 10, iat=1107,1119, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 74 THR HA 75 LEU MDX 5.50 (# 2513:20 Unique 2.98, 5.52 A)
&rst
ixpk= 2513, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 88 VAL HA 74 THR HA 3.50 (# 1924:20 Unique 2.25, 2.32 A)
&rst
ixpk= 1924, nxpk= 20, iat=1322,1107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HA 88 VAL MGX 5.50 (# 1555:20 Unique 3.30, 4.70 A)
&rst
ixpk= 1555, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 74 THR HA 88 VAL MGY 4.50 (# 1614:20 Unique 3.30, 4.70 A)
&rst
ixpk= 1614, nxpk= 20, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 74 THR HA 89 GLY HN 4.50 (# 852:10 Unique 2.48, 3.02 A)
&rst
ixpk= 852, nxpk= 10, iat=1107,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 74 THR HB 74 THR HN 3.50 (# 1136:10 Unique 2.62, 2.67 A)
&rst
ixpk= 1136, nxpk= 10, iat=1109,1105, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 74 THR HB 74 THR MG2 2.80 (# 1498:20 Unique 2.33, 2.66 A)
&rst
ixpk= 1498, nxpk= 20, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1111,1112,1113,
&end
#
# 74 THR HB 75 LEU HN 5.50 (# 1148:10 Unique 3.66, 4.23 A)
&rst
ixpk= 1148, nxpk= 10, iat=1109,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 74 THR MG2 74 THR HN 5.50 (# 1142:10 Unique 4.27, 4.66 A)
&rst
ixpk= 1142, nxpk= 10, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1111,1112,1113,
&end
#
# 75 LEU HA 74 THR MG2 5.50 (# 2478:20 Unique 4.36, 5.22 A)
&rst
ixpk= 2478, nxpk= 20, iat=1121, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1111,1112,1113,
&end
#
# 75 LEU HB- 74 THR MG2 4.50 (# 1499:20 Unique 4.81, 6.26 A)
&rst
ixpk= 1499, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1123,1124,
igr2=1111,1112,1113,
&end
#
# 74 THR MG2 75 LEU HN 2.80 (# 53:10 Unique 2.45, 3.44 A)
&rst
ixpk= 53, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1111,1112,1113,
&end
#
# 76 LEU HA 74 THR MG2 5.50 (# 2479:20 Unique 5.14, 5.81 A)
&rst
ixpk= 2479, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1111,1112,1113,
&end
#
# 76 LEU HN 74 THR MG2 5.50 (# 2238:20 Unique 4.56, 5.77 A)
&rst
ixpk= 2238, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1111,1112,1113,
&end
#
# 87 SER HN 74 THR MG2 5.50 (# 2237:20 Unique 3.43, 4.62 A)
&rst
ixpk= 2237, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1111,1112,1113,
&end
#
# 88 VAL HA 74 THR MG2 4.50 (# 2543:20 Unique 2.23, 3.99 A)
&rst
ixpk= 2543, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1111,1112,1113,
&end
#
# 75 LEU HB+ 75 LEU HA 3.50 (# 2003:20 Unique 2.44, 2.79 A)
&rst
ixpk= 2003, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1123,1124,
&end
#
# 75 LEU HB- 75 LEU HA 3.50 (# 2750:20 Unique 2.44, 2.79 A)
&rst
ixpk= 2750, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1123,1124,
&end
#
# 75 LEU HG 75 LEU HA 3.50 (# 2002:20 Unique 2.42, 3.00 A)
&rst
ixpk= 2002, nxpk= 20, iat=1126,1121, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU HA 75 LEU HN 3.50 (# 1151:10 Unique 2.96, 2.97 A)
&rst
ixpk= 1151, nxpk= 10, iat=1121,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU MDX 75 LEU HA 3.50 (# 2004:20 Unique 2.17, 3.85 A)
&rst
ixpk= 2004, nxpk= 20, iat= -1,1121, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1128,1129,1130,1132,1133,1134,
&end
#
# 75 LEU HA 76 LEU HN 2.80 (# 258:10 Unique 2.12, 2.18 A)
&rst
ixpk= 258, nxpk= 10, iat=1121,1138, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 75 LEU HB+ 75 LEU HN 3.50 (# 1145:10 Unique 2.34, 3.05 A)
&rst
ixpk= 1145, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1123,1124,
&end
#
# 75 LEU MDX 75 LEU HB+ 3.50 (# 477:20 Unique 2.37, 3.36 A)
&rst
ixpk= 477, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1128,1129,1130,1132,1133,1134,
igr2=1123,1124,
&end
#
# 76 LEU HN 75 LEU HB+ 4.50 (# 2207:20 Unique 3.06, 3.91 A)
&rst
ixpk= 2207, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1123,1124,
&end
#
# 87 SER HB+ 75 LEU HB+ 5.50 (# 2666:20 Unique 2.22, 3.73 A)
&rst
ixpk= 2666, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1313,1314,
igr2=1123,1124,
&end
#
# 87 SER HB- 75 LEU HB+ 5.50 (# 2667:20 Unique 2.22, 3.73 A)
&rst
ixpk= 2667, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1313,1314,
igr2=1123,1124,
&end
#
# 75 LEU HB- 75 LEU HN 2.80 (# 52:10 Unique 2.34, 3.05 A)
&rst
ixpk= 52, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1123,1124,
&end
#
# 76 LEU HN 75 LEU HB- 5.50 (# 2208:20 Unique 3.06, 3.91 A)
&rst
ixpk= 2208, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1123,1124,
&end
#
# 75 LEU HB- 87 SER HB+ 4.50 (# 78:20 Unique 2.22, 3.73 A)
&rst
ixpk= 78, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1123,1124,
igr2=1313,1314,
&end
#
# 75 LEU HB- 87 SER HB- 3.50 (# 73:20 Unique 2.22, 3.73 A)
&rst
ixpk= 73, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1123,1124,
igr2=1313,1314,
&end
#
# 87 SER HN 75 LEU HB- 5.50 (# 2209:20 Unique 3.24, 4.00 A)
&rst
ixpk= 2209, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1123,1124,
&end
#
# 75 LEU HN 75 LEU HG 5.50 (# 2222:20 Unique 2.81, 3.36 A)
&rst
ixpk= 2222, nxpk= 20, iat=1119,1126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HG 75 LEU MDX 2.80 (# 1217:20 Unique 2.32, 2.65 A)
&rst
ixpk= 1217, nxpk= 20, iat=1126, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 75 LEU HN 75 LEU MDX 4.50 (# 1212:20 Unique 2.72, 4.76 A)
&rst
ixpk= 1212, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 75 LEU HN 76 LEU HN 5.50 (# 1153:10 Unique 4.14, 4.32 A)
&rst
ixpk= 1153, nxpk= 10, iat=1119,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 75 LEU HN 87 SER HB+ 5.50 (# 2089:20 Unique 3.31, 4.18 A)
&rst
ixpk= 2089, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1313,1314,
&end
#
# 87 SER HB- 75 LEU HN 4.50 (# 1147:10 Unique 3.31, 4.18 A)
&rst
ixpk= 1147, nxpk= 10, iat= -1,1119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,
&end
#
# 75 LEU HN 87 SER HN 3.50 (# 233:10 Unique 2.98, 3.11 A)
&rst
ixpk= 233, nxpk= 10, iat=1119,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 88 VAL HA 75 LEU HN 3.50 (# 51:10 Unique 3.08, 3.24 A)
&rst
ixpk= 51, nxpk= 10, iat=1322,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 75 LEU HN 88 VAL MGY 5.50 (# 2239:20 Unique 4.01, 5.58 A)
&rst
ixpk= 2239, nxpk= 20, iat=1119, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 87 SER HB- 75 LEU MDX 4.50 (# 2634:20 Unique 3.12, 5.74 A)
&rst
ixpk= 2634, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1313,1314,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 91 LYS HG+ 75 LEU MDX 4.50 (# 1248:20 Unique 3.44, 7.07 A)
&rst
ixpk= 1248, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1370,1371,
igr2=1128,1129,1130,1132,1133,1134,
&end
#
# 76 LEU HB+ 76 LEU HA 3.50 (# 2018:20 Unique 2.65, 2.86 A)
&rst
ixpk= 2018, nxpk= 20, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1142,1143,
&end
#
# 76 LEU HB- 76 LEU HA 3.50 (# 2017:20 Unique 2.65, 2.86 A)
&rst
ixpk= 2017, nxpk= 20, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1142,1143,
&end
#
# 76 LEU MDX 76 LEU HA 2.80 (# 2020:20 Unique 2.10, 3.21 A)
&rst
ixpk= 2020, nxpk= 20, iat= -1,1140, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1147,1148,1149,1151,1152,1153,
&end
#
# 76 LEU HA 77 VAL HN 2.80 (# 215:10 Unique 2.07, 2.15 A)
&rst
ixpk= 215, nxpk= 10, iat=1140,1157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 76 LEU HA 83 VAL MGX 5.50 (# 2481:20 Unique 3.88, 5.72 A)
&rst
ixpk= 2481, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 76 LEU HA 86 THR MG2 4.50 (# 2475:20 Unique 3.37, 4.52 A)
&rst
ixpk= 2475, nxpk= 20, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1301,1302,1303,
&end
#
# 76 LEU HB+ 76 LEU HN 3.50 (# 1162:10 Unique 2.31, 3.00 A)
&rst
ixpk= 1162, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1142,1143,
&end
#
# 76 LEU HB+ 76 LEU MDX 2.80 (# 1311:20 Unique 2.37, 3.51 A)
&rst
ixpk= 1311, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1142,1143,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 76 LEU HB+ 77 VAL HN 3.50 (# 216:10 Unique 2.86, 3.94 A)
&rst
ixpk= 216, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1142,1143,
&end
#
# 76 LEU HB+ 83 VAL MGX 3.50 (# 1427:20 Unique 3.16, 5.50 A)
&rst
ixpk= 1427, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1142,1143,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 76 LEU HB- 76 LEU HN 2.80 (# 260:10 Unique 2.31, 3.00 A)
&rst
ixpk= 260, nxpk= 10, iat= -1,1138, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1142,1143,
&end
#
# 76 LEU HB- 76 LEU MDX 2.80 (# 1310:20 Unique 2.37, 3.51 A)
&rst
ixpk= 1310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1142,1143,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 77 VAL HN 76 LEU HB- 5.50 (# 2301:20 Unique 2.86, 3.94 A)
&rst
ixpk= 2301, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1142,1143,
&end
#
# 76 LEU HN 76 LEU MDX 5.50 (# 2233:20 Unique 3.13, 4.64 A)
&rst
ixpk= 2233, nxpk= 20, iat=1138, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 77 VAL HN 76 LEU HN 5.50 (# 257:10 Unique 4.22, 4.29 A)
&rst
ixpk= 257, nxpk= 10, iat=1157,1138, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HN 76 LEU MDX 4.50 (# 1307:20 Unique 3.12, 4.80 A)
&rst
ixpk= 1307, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 83 VAL MGY 76 LEU MDX 3.50 (# 1312:20 Unique 2.21, 5.48 A)
&rst
ixpk= 1312, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1254,1255,1256,1258,1259,1260,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 86 THR HB 76 LEU MDX 5.50 (# 2632:20 Unique 4.10, 5.22 A)
&rst
ixpk= 2632, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1147,1148,1149,1151,1152,1153,
&end
#
# 76 LEU MDX 87 SER HN 3.50 (# 234:10 Unique 3.00, 4.71 A)
&rst
ixpk= 234, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1147,1148,1149,1151,1152,1153,
&end
#
# 77 VAL HA 77 VAL HB 5.50 (# 2527:20 Unique 3.03, 3.05 A)
&rst
ixpk= 2527, nxpk= 20, iat=1159,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HA 77 VAL HN 3.50 (# 1167:10 Unique 2.96, 2.99 A)
&rst
ixpk= 1167, nxpk= 10, iat=1159,1157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 77 VAL MGX 77 VAL HA 2.80 (# 1944:20 Unique 2.32, 3.11 A)
&rst
ixpk= 1944, nxpk= 20, iat= -1,1159, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL HA 77 VAL MGY 2.80 (# 1516:20 Unique 2.32, 3.11 A)
&rst
ixpk= 1516, nxpk= 20, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL HA 78 LEU HN 2.80 (# 33:10 Unique 2.08, 2.12 A)
&rst
ixpk= 33, nxpk= 10, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL HB 77 VAL HN 2.80 (# 226:10 Unique 2.54, 2.69 A)
&rst
ixpk= 226, nxpk= 10, iat=1161,1157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL HB 84 VAL HN 4.50 (# 1199:10 Unique 3.72, 3.94 A)
&rst
ixpk= 1199, nxpk= 10, iat=1161,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 77 VAL HB 84 VAL MGX 2.80 (# 1722:20 Unique 2.28, 4.60 A)
&rst
ixpk= 1722, nxpk= 20, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 85 GLU HB- 77 VAL HB 2.80 (# 932:20 Unique 2.04, 2.95 A)
&rst
ixpk= 932, nxpk= 20, iat= -1,1161, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1284,1285,
&end
#
# 77 VAL HB 85 GLU HN 2.80 (# 375:10 Unique 2.60, 2.74 A)
&rst
ixpk= 375, nxpk= 10, iat=1161,1280, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 77 VAL HN 77 VAL MGX 4.50 (# 1562:20 Unique 2.60, 4.13 A)
&rst
ixpk= 1562, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL HN 77 VAL MGY 3.50 (# 1513:20 Unique 2.60, 4.13 A)
&rst
ixpk= 1513, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL HN 78 LEU HN 5.50 (# 784:10 Unique 4.13, 4.28 A)
&rst
ixpk= 784, nxpk= 10, iat=1157,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HN 84 VAL HN 4.50 (# 1195:10 Unique 4.00, 4.31 A)
&rst
ixpk= 1195, nxpk= 10, iat=1157,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL MGX 77 VAL HN 5.50 (# 1165:10 Unique 4.51, 6.51 A)
&rst
ixpk= 1165, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 85 GLU HA 77 VAL HN 5.50 (# 1168:10 Unique 4.51, 4.60 A)
&rst
ixpk= 1168, nxpk= 10, iat=1282,1157, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 77 VAL HN 85 GLU HB+ 4.50 (# 2298:20 Unique 2.81, 4.11 A)
&rst
ixpk= 2298, nxpk= 20, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1284,1285,
&end
#
# 85 GLU HB- 77 VAL HN 4.50 (# 1166:10 Unique 2.81, 4.11 A)
&rst
ixpk= 1166, nxpk= 10, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1284,1285,
&end
#
# 77 VAL HN 85 GLU HN 3.00 (# 372:10 Unique 2.68, 2.91 A)
&rst
ixpk= 372, nxpk= 10, iat=1157,1280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 78 LEU HN 77 VAL MGX 2.80 (# 1561:20 Unique 2.86, 4.39 A)
&rst
ixpk= 1561, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL MGX 84 VAL MGX 2.80 (# 1726:20 Unique 2.31, 5.86 A)
&rst
ixpk= 1726, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1163,1164,1165,1167,1168,1169,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 85 GLU HB- 77 VAL MGX 3.50 (# 1564:20 Unique 2.33, 4.64 A)
&rst
ixpk= 1564, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1284,1285,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL MGX 85 GLU HN 3.50 (# 751:10 Unique 4.04, 4.96 A)
&rst
ixpk= 751, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1163,1164,1165,1167,1168,1169,
&end
#
# 78 LEU HN 77 VAL MGY 4.50 (# 1512:20 Unique 2.86, 4.39 A)
&rst
ixpk= 1512, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 84 VAL MGX 77 VAL MGY 3.50 (# 1522:20 Unique 2.31, 5.86 A)
&rst
ixpk= 1522, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 77 VAL MGY 85 GLU HB+ 3.50 (# 839:20 Unique 2.33, 4.64 A)
&rst
ixpk= 839, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1163,1164,1165,1167,1168,1169,
igr2=1284,1285,
&end
#
# 85 GLU HB- 77 VAL MGY 2.80 (# 1519:20 Unique 2.33, 4.64 A)
&rst
ixpk= 1519, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1284,1285,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 85 GLU HG+ 77 VAL MGY 4.50 (# 1518:20 Unique 2.67, 4.63 A)
&rst
ixpk= 1518, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1287,1288,
igr2=1163,1164,1165,1167,1168,1169,
&end
#
# 78 LEU HA 78 LEU HB+ 3.50 (# 447:20 Unique 2.45, 2.77 A)
&rst
ixpk= 447, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1177,1178,
&end
#
# 78 LEU HA 78 LEU HB- 4.50 (# 2492:20 Unique 2.45, 2.77 A)
&rst
ixpk= 2492, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1177,1178,
&end
#
# 78 LEU HA 78 LEU HG 3.50 (# 1052:20 Unique 2.29, 2.37 A)
&rst
ixpk= 1052, nxpk= 20, iat=1175,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LEU HA 78 LEU HN 3.50 (# 787:10 Unique 2.95, 2.97 A)
&rst
ixpk= 787, nxpk= 10, iat=1175,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 78 LEU HA 79 LYS HN 2.80 (# 294:10 Unique 2.21, 2.25 A)
&rst
ixpk= 294, nxpk= 10, iat=1175,1192, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 LEU HA 82 GLU HN 4.50 (# 1185:10 Unique 4.27, 4.40 A)
&rst
ixpk= 1185, nxpk= 10, iat=1175,1233, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 LEU HA 83 VAL HA 2.80 (# 55:20 Unique 2.07, 2.21 A)
&rst
ixpk= 55, nxpk= 20, iat=1175,1250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 LEU HA 83 VAL HN 5.50 (# 1021:10 Unique 4.30, 4.48 A)
&rst
ixpk= 1021, nxpk= 10, iat=1175,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LEU HA 83 VAL MGX 5.50 (# 2482:20 Unique 3.82, 5.06 A)
&rst
ixpk= 2482, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 78 LEU HA 83 VAL MGY 4.50 (# 2483:20 Unique 3.82, 5.06 A)
&rst
ixpk= 2483, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 78 LEU HA 84 VAL HN 2.80 (# 209:10 Unique 2.14, 2.35 A)
&rst
ixpk= 209, nxpk= 10, iat=1175,1264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 78 LEU HA 84 VAL MGX 4.50 (# 1716:20 Unique 2.70, 5.03 A)
&rst
ixpk= 1716, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 78 LEU HA 84 VAL MGY 4.50 (# 2480:20 Unique 2.70, 5.03 A)
&rst
ixpk= 2480, nxpk= 20, iat=1175, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 78 LEU HA 85 GLU HN 4.50 (# 742:10 Unique 3.94, 4.04 A)
&rst
ixpk= 742, nxpk= 10, iat=1175,1280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 78 LEU HN 78 LEU HB+ 5.50 (# 2201:20 Unique 2.59, 3.21 A)
&rst
ixpk= 2201, nxpk= 20, iat=1173, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1177,1178,
&end
#
# 78 LEU MDY 78 LEU HB+ 2.80 (# 450:20 Unique 2.34, 3.32 A)
&rst
ixpk= 450, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1182,1183,1184,1186,1187,1188,
igr2=1177,1178,
&end
#
# 79 LYS HN 78 LEU HB+ 4.50 (# 446:20 Unique 2.65, 3.39 A)
&rst
ixpk= 446, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1177,1178,
&end
#
# 78 LEU HB+ 81 GLY HN 3.50 (# 1179:10 Unique 3.11, 3.99 A)
&rst
ixpk= 1179, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1177,1178,
&end
#
# 78 LEU HB- 78 LEU HN 2.80 (# 34:10 Unique 2.59, 3.21 A)
&rst
ixpk= 34, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1177,1178,
&end
#
# 79 LYS HN 78 LEU HB- 5.50 (# 2199:20 Unique 2.65, 3.39 A)
&rst
ixpk= 2199, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1177,1178,
&end
#
# 78 LEU HB- 81 GLY HN 5.50 (# 1180:10 Unique 3.11, 3.99 A)
&rst
ixpk= 1180, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1177,1178,
&end
#
# 78 LEU HN 78 LEU HG 5.50 (# 2218:20 Unique 3.67, 3.79 A)
&rst
ixpk= 2218, nxpk= 20, iat=1173,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LEU MDY 78 LEU HG 2.80 (# 1054:20 Unique 2.40, 2.64 A)
&rst
ixpk= 1054, nxpk= 20, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1182,1183,1184,1186,1187,1188,
&end
#
# 79 LYS HN 78 LEU HG 5.50 (# 2219:20 Unique 4.02, 4.23 A)
&rst
ixpk= 2219, nxpk= 20, iat=1192,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 83 VAL HA 78 LEU HG 3.50 (# 1053:20 Unique 2.02, 2.09 A)
&rst
ixpk= 1053, nxpk= 20, iat=1250,1180, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL MGX 78 LEU HG 4.50 (# 2847:20 Unique 2.26, 3.89 A)
&rst
ixpk= 2847, nxpk= 20, iat= -1,1180, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 78 LEU HG 83 VAL MGY 2.80 (# 1384:20 Unique 2.26, 3.89 A)
&rst
ixpk= 1384, nxpk= 20, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 84 VAL HN 78 LEU HG 5.50 (# 2217:20 Unique 3.54, 3.67 A)
&rst
ixpk= 2217, nxpk= 20, iat=1264,1180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 78 LEU HN 79 LYS HN 5.50 (# 1082:10 Unique 4.36, 4.39 A)
&rst
ixpk= 1082, nxpk= 10, iat=1173,1192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 VAL MGX 78 LEU HN 5.50 (# 790:10 Unique 3.77, 6.29 A)
&rst
ixpk= 790, nxpk= 10, iat= -1,1173, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 78 LEU MDY 81 GLY HA+ 4.50 (# 2889:20 Unique 3.22, 6.59 A)
&rst
ixpk= 2889, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1182,1183,1184,1186,1187,1188,
igr2=1228,1229,
&end
#
# 78 LEU MDY 81 GLY HA- 5.50 (# 2898:20 Unique 3.22, 6.59 A)
&rst
ixpk= 2898, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1182,1183,1184,1186,1187,1188,
igr2=1228,1229,
&end
#
# 78 LEU MDY 83 VAL HN 3.50 (# 1017:10 Unique 3.17, 5.30 A)
&rst
ixpk= 1017, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1182,1183,1184,1186,1187,1188,
&end
#
# 78 LEU MDY 83 VAL MGY 2.80 (# 1387:20 Unique 2.44, 5.35 A)
&rst
ixpk= 1387, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1182,1183,1184,1186,1187,1188,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 79 LYS HB+ 79 LYS HA 2.80 (# 1988:20 Unique 2.37, 2.76 A)
&rst
ixpk= 1988, nxpk= 20, iat= -1,1194, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1196,1197,
&end
#
# 79 LYS HA 79 LYS HN 3.50 (# 295:10 Unique 2.95, 2.98 A)
&rst
ixpk= 295, nxpk= 10, iat=1194,1192, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 LYS HA 80 ASP HA 4.50 (# 2564:20 Unique 4.19, 4.26 A)
&rst
ixpk= 2564, nxpk= 20, iat=1194,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HA 80 ASP HN 2.80 (# 23:10 Unique 1.99, 2.05 A)
&rst
ixpk= 23, nxpk= 10, iat=1194,1214, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 LYS HA 81 GLY HN 4.50 (# 1184:10 Unique 3.60, 3.79 A)
&rst
ixpk= 1184, nxpk= 10, iat=1194,1226, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HA 82 GLU HN 5.50 (# 1186:10 Unique 4.56, 4.64 A)
&rst
ixpk= 1186, nxpk= 10, iat=1194,1233, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LYS HN 79 LYS HB+ 4.50 (# 2212:20 Unique 2.57, 3.08 A)
&rst
ixpk= 2212, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1196,1197,
&end
#
# 79 LYS HB+ 80 ASP HN 4.50 (# 1175:10 Unique 3.45, 4.08 A)
&rst
ixpk= 1175, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1196,1197,
&end
#
# 84 VAL MGX 79 LYS HB+ 4.50 (# 715:20 Unique 2.17, 4.31 A)
&rst
ixpk= 715, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1196,1197,
&end
#
# 84 VAL MGY 79 LYS HB+ 4.50 (# 714:20 Unique 2.17, 4.31 A)
&rst
ixpk= 714, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1196,1197,
&end
#
# 79 LYS HB- 79 LYS HN 2.80 (# 296:10 Unique 2.57, 3.08 A)
&rst
ixpk= 296, nxpk= 10, iat= -1,1192, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1196,1197,
&end
#
# 84 VAL MGX 79 LYS HB- 4.50 (# 2855:20 Unique 2.17, 4.31 A)
&rst
ixpk= 2855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1196,1197,
&end
#
# 84 VAL MGY 79 LYS HB- 3.50 (# 709:20 Unique 2.17, 4.31 A)
&rst
ixpk= 709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1196,1197,
&end
#
# 84 VAL MGX 79 LYS HD+ 5.50 (# 2850:20 Unique 2.35, 4.21 A)
&rst
ixpk= 2850, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1202,1203,
&end
#
# 79 LYS HE+ 79 LYS HG- 3.50 (# 1245:20 Unique 2.38, 3.15 A)
&rst
ixpk= 1245, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1205,1206,
igr2=1199,1200,
&end
#
# 84 VAL MGY 79 LYS HG+ 3.50 (# 1243:20 Unique 2.25, 5.35 A)
&rst
ixpk= 1243, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1199,1200,
&end
#
# 79 LYS HN 81 GLY HN 5.50 (# 627:10 Unique 3.40, 3.76 A)
&rst
ixpk= 627, nxpk= 10, iat=1192,1226, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 82 GLU HN 79 LYS HN 2.80 (# 293:10 Unique 2.66, 2.82 A)
&rst
ixpk= 293, nxpk= 10, iat=1233,1192, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 79 LYS HN 83 VAL HA 4.50 (# 2083:20 Unique 3.63, 3.80 A)
&rst
ixpk= 2083, nxpk= 20, iat=1192,1250, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 79 LYS HN 84 VAL HN 3.80 (# 1194:10 Unique 3.56, 3.63 A)
&rst
ixpk= 1194, nxpk= 10, iat=1192,1264, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 79 LYS HN 84 VAL MGX 4.50 (# 1714:20 Unique 2.42, 4.96 A)
&rst
ixpk= 1714, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 79 LYS HN 84 VAL MGY 3.50 (# 2236:20 Unique 2.42, 4.96 A)
&rst
ixpk= 2236, nxpk= 20, iat=1192, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 8 ASP HA 8 ASP HB+ 2.80 (# 552:20 Unique 2.36, 2.79 A)
&rst
ixpk= 552, nxpk= 20, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 116, 117,
&end
#
# 8 ASP HA 8 ASP HN 2.80 (# 264:10 Unique 2.68, 2.73 A)
&rst
ixpk= 264, nxpk= 10, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 8 ASP HA 9 GLN HN 4.50 (# 688:10 Unique 3.47, 3.49 A)
&rst
ixpk= 688, nxpk= 10, iat= 114, 124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 8 ASP HN 8 ASP HB+ 2.80 (# 551:20 Unique 2.25, 2.50 A)
&rst
ixpk= 551, nxpk= 20, iat= 112, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 116, 117,
&end
#
# 9 GLN HA 8 ASP HB+ 5.50 (# 2594:20 Unique 4.17, 4.98 A)
&rst
ixpk= 2594, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 116, 117,
&end
#
# 8 ASP HB+ 9 GLN HN 2.80 (# 482:10 Unique 2.79, 3.42 A)
&rst
ixpk= 482, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 116, 117,
&end
#
# 9 GLN HN 8 ASP HN 3.50 (# 683:10 Unique 2.81, 2.91 A)
&rst
ixpk= 683, nxpk= 10, iat= 124, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ASP HA 80 ASP HB+ 3.50 (# 602:20 Unique 2.45, 2.75 A)
&rst
ixpk= 602, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1218,1219,
&end
#
# 80 ASP HA 80 ASP HB- 2.80 (# 595:20 Unique 2.45, 2.75 A)
&rst
ixpk= 595, nxpk= 20, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1218,1219,
&end
#
# 80 ASP HA 80 ASP HN 2.80 (# 26:10 Unique 2.25, 2.26 A)
&rst
ixpk= 26, nxpk= 10, iat=1216,1214, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLY HN 80 ASP HA 3.50 (# 279:20 Unique 2.73, 2.84 A)
&rst
ixpk= 279, nxpk= 20, iat=1226,1216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 80 ASP HB+ 80 ASP HN 5.50 (# 1174:10 Unique 2.89, 3.23 A)
&rst
ixpk= 1174, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1219,
&end
#
# 80 ASP HB- 80 ASP HN 4.50 (# 1173:10 Unique 2.89, 3.23 A)
&rst
ixpk= 1173, nxpk= 10, iat= -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1218,1219,
&end
#
# 80 ASP HB- 81 GLY HN 5.50 (# 1181:10 Unique 4.18, 4.45 A)
&rst
ixpk= 1181, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1218,1219,
&end
#
# 80 ASP HN 81 GLY HN 2.80 (# 628:10 Unique 2.83, 2.87 A)
&rst
ixpk= 628, nxpk= 10, iat=1214,1226, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 81 GLY HA+ 81 GLY HN 2.80 (# 631:10 Unique 2.28, 2.63 A)
&rst
ixpk= 631, nxpk= 10, iat= -1,1226, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1228,1229,
&end
#
# 81 GLY HA+ 82 GLU HN 3.50 (# 1189:10 Unique 3.34, 3.42 A)
&rst
ixpk= 1189, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1228,1229,
&end
#
# 81 GLY HN 81 GLY HA- 3.50 (# 405:20 Unique 2.28, 2.63 A)
&rst
ixpk= 405, nxpk= 20, iat=1226, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1228,1229,
&end
#
# 81 GLY HA- 82 GLU HN 3.50 (# 1187:10 Unique 3.34, 3.42 A)
&rst
ixpk= 1187, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1228,1229,
&end
#
# 81 GLY HN 82 GLU HN 2.80 (# 237:10 Unique 2.57, 2.71 A)
&rst
ixpk= 237, nxpk= 10, iat=1226,1233, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 GLU HA 82 GLU HB+ 3.50 (# 957:20 Unique 2.26, 2.44 A)
&rst
ixpk= 957, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1237,1238,
&end
#
# 82 GLU HA 82 GLU HB- 2.80 (# 950:20 Unique 2.26, 2.44 A)
&rst
ixpk= 950, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1237,1238,
&end
#
# 82 GLU HA 82 GLU HG+ 4.50 (# 706:20 Unique 3.45, 3.80 A)
&rst
ixpk= 706, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1240,1241,
&end
#
# 82 GLU HA 82 GLU HG- 3.50 (# 707:20 Unique 3.45, 3.80 A)
&rst
ixpk= 707, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1240,1241,
&end
#
# 82 GLU HA 82 GLU HN 3.50 (# 239:10 Unique 2.98, 2.98 A)
&rst
ixpk= 239, nxpk= 10, iat=1235,1233, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 82 GLU HA 83 VAL HN 2.80 (# 113:10 Unique 2.25, 2.32 A)
&rst
ixpk= 113, nxpk= 10, iat=1235,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 82 GLU HA 83 VAL MGY 4.50 (# 1379:20 Unique 3.71, 5.79 A)
&rst
ixpk= 1379, nxpk= 20, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 82 GLU HG+ 82 GLU HB+ 2.80 (# 958:20 Unique 2.32, 2.76 A)
&rst
ixpk= 958, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1240,1241,
igr2=1237,1238,
&end
#
# 82 GLU HB+ 82 GLU HN 2.80 (# 240:10 Unique 2.28, 3.34 A)
&rst
ixpk= 240, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1237,1238,
&end
#
# 83 VAL HN 82 GLU HB+ 3.50 (# 2182:20 Unique 2.79, 3.59 A)
&rst
ixpk= 2182, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1237,1238,
&end
#
# 82 GLU HG+ 82 GLU HB- 2.80 (# 951:20 Unique 2.32, 2.76 A)
&rst
ixpk= 951, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1240,1241,
igr2=1237,1238,
&end
#
# 82 GLU HB- 82 GLU HN 2.80 (# 236:10 Unique 2.28, 3.34 A)
&rst
ixpk= 236, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1237,1238,
&end
#
# 82 GLU HG+ 82 GLU HN 4.50 (# 1190:10 Unique 2.34, 3.04 A)
&rst
ixpk= 1190, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1240,1241,
&end
#
# 82 GLU HG+ 83 VAL HN 4.50 (# 1020:10 Unique 3.12, 4.25 A)
&rst
ixpk= 1020, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1240,1241,
&end
#
# 82 GLU HG+ 84 VAL HB 4.50 (# 781:20 Unique 3.54, 4.14 A)
&rst
ixpk= 781, nxpk= 20, iat= -1,1268, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1240,1241,
&end
#
# 84 VAL MGY 82 GLU HG+ 5.50 (# 2857:20 Unique 2.16, 5.99 A)
&rst
ixpk= 2857, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1240,1241,
&end
#
# 82 GLU HN 82 GLU HG- 3.50 (# 716:20 Unique 2.34, 3.04 A)
&rst
ixpk= 716, nxpk= 20, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1240,1241,
&end
#
# 83 VAL HN 82 GLU HG- 5.50 (# 2190:20 Unique 3.12, 4.25 A)
&rst
ixpk= 2190, nxpk= 20, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1240,1241,
&end
#
# 84 VAL MGY 82 GLU HG- 4.50 (# 2856:20 Unique 2.16, 5.99 A)
&rst
ixpk= 2856, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1240,1241,
&end
#
# 84 VAL MGY 82 GLU HN 5.50 (# 1193:10 Unique 3.99, 7.21 A)
&rst
ixpk= 1193, nxpk= 10, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 83 VAL HB 83 VAL HA 3.50 (# 56:20 Unique 2.41, 2.95 A)
&rst
ixpk= 56, nxpk= 20, iat=1252,1250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HA 83 VAL HN 3.50 (# 114:10 Unique 2.88, 2.90 A)
&rst
ixpk= 114, nxpk= 10, iat=1250,1248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HA 83 VAL MGX 2.80 (# 1464:20 Unique 2.36, 3.20 A)
&rst
ixpk= 1464, nxpk= 20, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL HA 83 VAL MGY 2.80 (# 1380:20 Unique 2.36, 3.20 A)
&rst
ixpk= 1380, nxpk= 20, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL HA 84 VAL HN 2.80 (# 210:10 Unique 2.05, 2.10 A)
&rst
ixpk= 210, nxpk= 10, iat=1250,1264, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 VAL HA 84 VAL MGX 4.50 (# 1718:20 Unique 3.90, 5.69 A)
&rst
ixpk= 1718, nxpk= 20, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 83 VAL HA 85 GLU HN 3.50 (# 374:10 Unique 3.54, 3.57 A)
&rst
ixpk= 374, nxpk= 10, iat=1250,1280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HB 83 VAL HN 2.80 (# 115:10 Unique 2.47, 2.56 A)
&rst
ixpk= 115, nxpk= 10, iat=1252,1248, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 83 VAL HB 83 VAL MGX 2.80 (# 1426:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1426, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL HB 83 VAL MGY 2.80 (# 1381:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1381, nxpk= 20, iat=1252, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL HB 84 VAL HN 4.50 (# 1201:10 Unique 4.14, 4.25 A)
&rst
ixpk= 1201, nxpk= 10, iat=1252,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 83 VAL MGX 83 VAL HN 4.50 (# 117:10 Unique 1.94, 3.82 A)
&rst
ixpk= 117, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL MGY 83 VAL HN 2.80 (# 116:10 Unique 1.94, 3.82 A)
&rst
ixpk= 116, nxpk= 10, iat= -1,1248, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL HN 84 VAL HN 4.50 (# 207:10 Unique 4.38, 4.50 A)
&rst
ixpk= 207, nxpk= 10, iat=1248,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HN 83 VAL MGX 3.50 (# 1465:20 Unique 3.06, 4.37 A)
&rst
ixpk= 1465, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL MGX 85 GLU HN 2.80 (# 376:10 Unique 2.71, 4.56 A)
&rst
ixpk= 376, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL MGY 84 VAL HN 3.50 (# 1197:10 Unique 3.06, 4.37 A)
&rst
ixpk= 1197, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 83 VAL MGY 85 GLU HN 4.50 (# 748:10 Unique 2.71, 4.56 A)
&rst
ixpk= 748, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1254,1255,1256,1258,1259,1260,
&end
#
# 84 VAL HA 84 VAL HB 2.80 (# 803:20 Unique 2.30, 2.45 A)
&rst
ixpk= 803, nxpk= 20, iat=1266,1268, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 84 VAL HA 84 VAL HN 3.50 (# 1196:10 Unique 2.96, 2.97 A)
&rst
ixpk= 1196, nxpk= 10, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 84 VAL HA 84 VAL MGX 3.50 (# 1717:20 Unique 2.39, 3.50 A)
&rst
ixpk= 1717, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL HA 84 VAL MGY 2.80 (# 1467:20 Unique 2.39, 3.50 A)
&rst
ixpk= 1467, nxpk= 20, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL HA 85 GLU HN 4.50 (# 740:10 Unique 3.58, 3.63 A)
&rst
ixpk= 740, nxpk= 10, iat=1266,1280, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HB 84 VAL HN 4.50 (# 1200:10 Unique 2.78, 2.98 A)
&rst
ixpk= 1200, nxpk= 10, iat=1268,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 84 VAL HB 84 VAL MGX 2.80 (# 1720:20 Unique 2.30, 2.64 A)
&rst
ixpk= 1720, nxpk= 20, iat=1268, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL MGX 84 VAL HN 2.80 (# 212:10 Unique 2.17, 3.84 A)
&rst
ixpk= 212, nxpk= 10, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL HN 84 VAL MGY 3.50 (# 1466:20 Unique 2.17, 3.84 A)
&rst
ixpk= 1466, nxpk= 20, iat=1264, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL HN 85 GLU HN 2.80 (# 371:10 Unique 2.07, 2.17 A)
&rst
ixpk= 371, nxpk= 10, iat=1264,1280, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 GLU HG+ 84 VAL MGX 5.50 (# 2685:20 Unique 2.31, 5.72 A)
&rst
ixpk= 2685, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1287,1288,
igr2=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL MGX 85 GLU HG- 4.50 (# 2854:20 Unique 2.31, 5.72 A)
&rst
ixpk= 2854, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1287,1288,
&end
#
# 84 VAL MGX 85 GLU HN 2.80 (# 377:10 Unique 2.76, 4.37 A)
&rst
ixpk= 377, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1270,1271,1272,1274,1275,1276,
&end
#
# 84 VAL MGX 99 LEU MDX 5.50 (# 1324:20 Unique 5.08, 9.20 A)
&rst
ixpk= 1324, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
igr1=1270,1271,1272,1274,1275,1276,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 85 GLU HB+ 85 GLU HA 4.50 (# 2785:20 Unique 2.19, 2.68 A)
&rst
ixpk= 2785, nxpk= 20, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1284,1285,
&end
#
# 85 GLU HB- 85 GLU HA 4.50 (# 2786:20 Unique 2.19, 2.68 A)
&rst
ixpk= 2786, nxpk= 20, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1284,1285,
&end
#
# 85 GLU HG+ 85 GLU HA 5.50 (# 2787:20 Unique 2.99, 3.65 A)
&rst
ixpk= 2787, nxpk= 20, iat= -1,1282, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1287,1288,
&end
#
# 85 GLU HA 85 GLU HN 3.50 (# 373:10 Unique 2.88, 2.93 A)
&rst
ixpk= 373, nxpk= 10, iat=1282,1280, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 85 GLU HA 86 THR HN 2.80 (# 394:10 Unique 2.31, 2.35 A)
&rst
ixpk= 394, nxpk= 10, iat=1282,1295, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 85 GLU HG+ 85 GLU HB+ 3.50 (# 837:20 Unique 2.24, 2.58 A)
&rst
ixpk= 837, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1287,1288,
igr2=1284,1285,
&end
#
# 85 GLU HN 85 GLU HB+ 5.50 (# 2297:20 Unique 2.78, 3.34 A)
&rst
ixpk= 2297, nxpk= 20, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1284,1285,
&end
#
# 85 GLU HB+ 86 THR HN 3.50 (# 1205:10 Unique 2.46, 3.38 A)
&rst
ixpk= 1205, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1284,1285,
&end
#
# 85 GLU HB- 85 GLU HN 3.50 (# 747:10 Unique 2.78, 3.34 A)
&rst
ixpk= 747, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1284,1285,
&end
#
# 85 GLU HB- 86 THR HN 3.50 (# 396:10 Unique 2.46, 3.38 A)
&rst
ixpk= 396, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1284,1285,
&end
#
# 99 LEU MDX 85 GLU HB- 3.50 (# 831:20 Unique 2.75, 5.49 A)
&rst
ixpk= 831, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1284,1285,
&end
#
# 85 GLU HG+ 85 GLU HN 5.50 (# 745:10 Unique 3.32, 4.32 A)
&rst
ixpk= 745, nxpk= 10, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1287,1288,
&end
#
# 85 GLU HG+ 86 THR HN 4.50 (# 1206:10 Unique 2.12, 3.92 A)
&rst
ixpk= 1206, nxpk= 10, iat= -1,1295, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1287,1288,
&end
#
# 85 GLU HG+ 99 LEU HB+ 5.50 (# 2697:20 Unique 3.04, 6.45 A)
&rst
ixpk= 2697, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1287,1288,
igr2=1501,1502,
&end
#
# 85 GLU HG+ 99 LEU MDX 5.50 (# 1334:20 Unique 2.28, 4.62 A)
&rst
ixpk= 1334, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1287,1288,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 85 GLU HG+ 99 LEU MDY 5.50 (# 2693:20 Unique 2.28, 4.62 A)
&rst
ixpk= 2693, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1=1287,1288,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 85 GLU HN 85 GLU HG- 5.50 (# 2325:20 Unique 3.32, 4.32 A)
&rst
ixpk= 2325, nxpk= 20, iat=1280, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1287,1288,
&end
#
# 85 GLU HN 86 THR HN 4.50 (# 1207:10 Unique 4.28, 4.37 A)
&rst
ixpk= 1207, nxpk= 10, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR HB 86 THR HN 2.80 (# 395:10 Unique 2.84, 2.89 A)
&rst
ixpk= 395, nxpk= 10, iat=1299,1295, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 86 THR HB 86 THR MG2 2.80 (# 1627:20 Unique 2.42, 2.68 A)
&rst
ixpk= 1627, nxpk= 20, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1301,1302,1303,
&end
#
# 86 THR HB 87 SER HN 4.50 (# 797:10 Unique 3.80, 4.00 A)
&rst
ixpk= 797, nxpk= 10, iat=1299,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 86 THR HN 86 THR MG2 4.50 (# 1625:20 Unique 4.58, 4.85 A)
&rst
ixpk= 1625, nxpk= 20, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2=1301,1302,1303,
&end
#
# 86 THR HN 87 SER HN 4.50 (# 800:10 Unique 4.14, 4.27 A)
&rst
ixpk= 800, nxpk= 10, iat=1295,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 87 SER HN 86 THR MG2 3.50 (# 1624:20 Unique 2.50, 3.59 A)
&rst
ixpk= 1624, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1301,1302,1303,
&end
#
# 87 SER HA 87 SER HB+ 2.80 (# 76:20 Unique 2.44, 2.76 A)
&rst
ixpk= 76, nxpk= 20, iat=1311, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1313,1314,
&end
#
# 87 SER HA 88 VAL HN 2.80 (# 18:10 Unique 2.25, 2.37 A)
&rst
ixpk= 18, nxpk= 10, iat=1311,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 87 SER HB+ 87 SER HN 2.80 (# 242:10 Unique 2.64, 3.32 A)
&rst
ixpk= 242, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1313,1314,
&end
#
# 87 SER HB+ 88 VAL HN 4.50 (# 1211:10 Unique 2.69, 3.42 A)
&rst
ixpk= 1211, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,
&end
#
# 99 LEU MDY 87 SER HB+ 3.50 (# 79:20 Unique 3.24, 5.08 A)
&rst
ixpk= 79, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1506,1507,1508,1510,1511,1512,
igr2=1313,1314,
&end
#
# 87 SER HB- 87 SER HN 2.80 (# 241:10 Unique 2.64, 3.32 A)
&rst
ixpk= 241, nxpk= 10, iat= -1,1309, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1313,1314,
&end
#
# 87 SER HB- 88 VAL HN 4.50 (# 1212:10 Unique 2.69, 3.42 A)
&rst
ixpk= 1212, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1313,1314,
&end
#
# 87 SER HB- 99 LEU MDY 4.50 (# 1318:20 Unique 3.24, 5.08 A)
&rst
ixpk= 1318, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1=1313,1314,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 87 SER HN 88 VAL HN 5.50 (# 17:10 Unique 3.83, 4.35 A)
&rst
ixpk= 17, nxpk= 10, iat=1309,1320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 87 SER HN 88 VAL MGY 5.50 (# 2240:20 Unique 3.96, 6.01 A)
&rst
ixpk= 2240, nxpk= 20, iat=1309, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 88 VAL HA 88 VAL HB 3.00 (# 821:20 Unique 3.03, 3.04 A)
&rst
ixpk= 821, nxpk= 20, iat=1322,1324, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 88 VAL HA 88 VAL MGX 2.80 (# 1553:20 Unique 2.47, 3.18 A)
&rst
ixpk= 1553, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 88 VAL HA 88 VAL MGY 2.80 (# 1615:20 Unique 2.47, 3.18 A)
&rst
ixpk= 1615, nxpk= 20, iat=1322, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 88 VAL HA 89 GLY HN 2.80 (# 569:10 Unique 2.20, 2.23 A)
&rst
ixpk= 569, nxpk= 10, iat=1322,1336, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 VAL HB 88 VAL HN 2.80 (# 19:10 Unique 2.37, 2.62 A)
&rst
ixpk= 19, nxpk= 10, iat=1324,1320, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 88 VAL HB 88 VAL MGY 2.80 (# 1617:20 Unique 2.42, 2.66 A)
&rst
ixpk= 1617, nxpk= 20, iat=1324, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 88 VAL MGX 88 VAL HN 3.50 (# 1208:10 Unique 2.26, 4.21 A)
&rst
ixpk= 1208, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 88 VAL MGY 88 VAL HN 2.80 (# 20:10 Unique 2.26, 4.21 A)
&rst
ixpk= 20, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 91 LYS HE- 88 VAL HN 5.50 (# 1210:10 Unique 2.68, 3.97 A)
&rst
ixpk= 1210, nxpk= 10, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1376,1377,
&end
#
# 89 GLY HN 88 VAL MGX 3.50 (# 1552:20 Unique 2.58, 4.17 A)
&rst
ixpk= 1552, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1326,1327,1328,1330,1331,1332,
&end
#
# 88 VAL MGY 89 GLY HN 3.50 (# 571:10 Unique 2.58, 4.17 A)
&rst
ixpk= 571, nxpk= 10, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1326,1327,1328,1330,1331,1332,
&end
#
# 89 GLY HA+ 89 GLY HN 2.80 (# 570:10 Unique 2.30, 2.63 A)
&rst
ixpk= 570, nxpk= 10, iat= -1,1336, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1338,1339,
&end
#
# 89 GLY HA+ 90 PHE HN 2.80 (# 356:10 Unique 2.42, 2.57 A)
&rst
ixpk= 356, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1338,1339,
&end
#
# 89 GLY HN 89 GLY HA- 3.50 (# 461:20 Unique 2.30, 2.63 A)
&rst
ixpk= 461, nxpk= 20, iat=1336, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1338,1339,
&end
#
# 89 GLY HA- 90 PHE HN 2.80 (# 354:10 Unique 2.42, 2.57 A)
&rst
ixpk= 354, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1338,1339,
&end
#
# 9 GLN HA 9 GLN HB+ 2.80 (# 1086:20 Unique 2.45, 2.77 A)
&rst
ixpk= 1086, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 128, 129,
&end
#
# 9 GLN HA 9 GLN HG- 2.80 (# 773:20 Unique 2.51, 2.99 A)
&rst
ixpk= 773, nxpk= 20, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 131, 132,
&end
#
# 9 GLN HA 9 GLN HN 2.80 (# 481:10 Unique 2.79, 2.82 A)
&rst
ixpk= 481, nxpk= 10, iat= 126, 124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 9 GLN HB+ 9 GLN HN 2.80 (# 483:10 Unique 2.36, 3.02 A)
&rst
ixpk= 483, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1= 128, 129,
&end
#
# 9 GLN HE2+ 9 GLN HN 5.50 (# 686:10 Unique 3.35, 4.70 A)
&rst
ixpk= 686, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 136, 137,
&end
#
# 9 GLN HG- 9 GLN HN 4.50 (# 689:10 Unique 1.99, 2.71 A)
&rst
ixpk= 689, nxpk= 10, iat= -1, 124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 131, 132,
&end
#
# 90 PHE HA 90 PHE HB+ 3.50 (# 615:20 Unique 2.45, 2.76 A)
&rst
ixpk= 615, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1347,1348,
&end
#
# 90 PHE HA 90 PHE HB- 3.50 (# 611:20 Unique 2.45, 2.76 A)
&rst
ixpk= 611, nxpk= 20, iat=1345, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1347,1348,
&end
#
# 90 PHE HD 90 PHE HA 3.50 (# 143:20 Unique 2.83, 3.62 A)
&rst
ixpk= 143, nxpk= 20, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1351,1359,
&end
#
# 90 PHE HA 90 PHE HN 3.50 (# 355:10 Unique 2.85, 2.87 A)
&rst
ixpk= 355, nxpk= 10, iat=1345,1343, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 91 LYS HG+ 90 PHE HA 5.50 (# 2133:20 Unique 4.62, 6.01 A)
&rst
ixpk= 2133, nxpk= 20, iat= -1,1345, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1370,1371,
&end
#
# 90 PHE HA 91 LYS HN 2.80 (# 81:10 Unique 2.21, 2.32 A)
&rst
ixpk= 81, nxpk= 10, iat=1345,1363, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 90 PHE HD 90 PHE HB+ 3.50 (# 614:20 Unique 2.41, 3.08 A)
&rst
ixpk= 614, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1351,1359,
igr2=1347,1348,
&end
#
# 90 PHE HB+ 90 PHE HN 2.80 (# 358:10 Unique 2.36, 2.47 A)
&rst
ixpk= 358, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1347,1348,
&end
#
# 90 PHE HD 90 PHE HB- 3.50 (# 610:20 Unique 2.41, 3.08 A)
&rst
ixpk= 610, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1351,1359,
igr2=1347,1348,
&end
#
# 90 PHE HB- 90 PHE HN 2.80 (# 357:10 Unique 2.36, 2.47 A)
&rst
ixpk= 357, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1347,1348,
&end
#
# 90 PHE HB- 91 LYS HN 5.50 (# 1224:10 Unique 3.78, 3.95 A)
&rst
ixpk= 1224, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1347,1348,
&end
#
# 90 PHE HD 90 PHE HN 4.50 (# 1218:10 Unique 4.57, 4.71 A)
&rst
ixpk= 1218, nxpk= 10, iat= -1,1343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1351,1359,
&end
#
# 90 PHE HD 91 LYS HN 4.50 (# 1220:10 Unique 3.25, 3.61 A)
&rst
ixpk= 1220, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1351,1359,
&end
#
# 90 PHE HD 92 PRO HD+ 5.50 (# 2374:20 Unique 3.28, 5.91 A)
&rst
ixpk= 2374, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1351,1359,
igr2=1386,1387,
&end
#
# 90 PHE HE 92 PRO HA 5.50 (# 2930:20 Unique 2.63, 4.00 A)
&rst
ixpk= 2930, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1353,1357,
&end
#
# 90 PHE HE 92 PRO HB- 5.50 (# 2403:20 Unique 3.04, 5.71 A)
&rst
ixpk= 2403, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2=1392,1393,
&end
#
# 90 PHE HE 92 PRO HD+ 5.50 (# 2373:20 Unique 3.11, 5.87 A)
&rst
ixpk= 2373, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2=1386,1387,
&end
#
# 90 PHE HE 92 PRO HD- 5.50 (# 2375:20 Unique 3.11, 5.87 A)
&rst
ixpk= 2375, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2=1386,1387,
&end
#
# 90 PHE HE 92 PRO HG+ 5.50 (# 2440:20 Unique 4.50, 6.96 A)
&rst
ixpk= 2440, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1353,1357,
igr2=1389,1390,
&end
#
# 91 LYS HN 90 PHE HN 5.50 (# 1217:10 Unique 4.62, 4.66 A)
&rst
ixpk= 1217, nxpk= 10, iat=1363,1343, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 90 PHE HZ 92 PRO HA 4.50 (# 135:20 Unique 2.96, 3.22 A)
&rst
ixpk= 135, nxpk= 20, iat=1355,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 90 PHE HZ 92 PRO HB- 5.50 (# 2404:20 Unique 4.35, 5.17 A)
&rst
ixpk= 2404, nxpk= 20, iat=1355, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1392,1393,
&end
#
# 91 LYS HA 91 LYS HB+ 3.50 (# 680:20 Unique 2.57, 2.86 A)
&rst
ixpk= 680, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1367,1368,
&end
#
# 91 LYS HA 91 LYS HB- 4.50 (# 681:20 Unique 2.57, 2.86 A)
&rst
ixpk= 681, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1367,1368,
&end
#
# 91 LYS HA 91 LYS HD+ 3.80 (# 1095:20 Unique 2.10, 3.47 A)
&rst
ixpk= 1095, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2=1373,1374,
&end
#
# 91 LYS HA 91 LYS HG+ 3.50 (# 1284:20 Unique 2.21, 3.07 A)
&rst
ixpk= 1284, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1370,1371,
&end
#
# 91 LYS HA 91 LYS HN 4.50 (# 80:10 Unique 2.90, 2.92 A)
&rst
ixpk= 80, nxpk= 10, iat=1365,1363, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 91 LYS HA 92 PRO HD+ 2.80 (# 369:20 Unique 2.23, 2.40 A)
&rst
ixpk= 369, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1386,1387,
&end
#
# 91 LYS HA 92 PRO HD- 2.80 (# 374:20 Unique 2.23, 2.40 A)
&rst
ixpk= 374, nxpk= 20, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1386,1387,
&end
#
# 92 PRO HG+ 91 LYS HA 5.50 (# 2780:20 Unique 4.45, 4.56 A)
&rst
ixpk= 2780, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1389,1390,
&end
#
# 92 PRO HG- 91 LYS HA 5.50 (# 2779:20 Unique 4.45, 4.56 A)
&rst
ixpk= 2779, nxpk= 20, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1389,1390,
&end
#
# 91 LYS HN 91 LYS HB+ 5.50 (# 2490:20 Unique 2.58, 3.23 A)
&rst
ixpk= 2490, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1367,1368,
&end
#
# 92 PRO HD+ 91 LYS HB+ 4.50 (# 678:20 Unique 2.60, 4.16 A)
&rst
ixpk= 678, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1386,1387,
igr2=1367,1368,
&end
#
# 92 PRO HD- 91 LYS HB+ 4.50 (# 2657:20 Unique 2.60, 4.16 A)
&rst
ixpk= 2657, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1386,1387,
igr2=1367,1368,
&end
#
# 91 LYS HB- 91 LYS HN 3.50 (# 1221:10 Unique 2.58, 3.23 A)
&rst
ixpk= 1221, nxpk= 10, iat= -1,1363, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1367,1368,
&end
#
# 92 PRO HD+ 91 LYS HB- 5.50 (# 2659:20 Unique 2.60, 4.16 A)
&rst
ixpk= 2659, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1386,1387,
igr2=1367,1368,
&end
#
# 92 PRO HD- 91 LYS HB- 5.50 (# 2658:20 Unique 2.60, 4.16 A)
&rst
ixpk= 2658, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1386,1387,
igr2=1367,1368,
&end
#
# 91 LYS HB- 96 LEU HG 4.50 (# 1186:20 Unique 2.22, 2.91 A)
&rst
ixpk= 1186, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1367,1368,
&end
#
# 91 LYS HD+ 91 LYS HE+ 2.80 (# 508:20 Unique 2.33, 2.69 A)
&rst
ixpk= 508, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1373,1374,
igr2=1376,1377,
&end
#
# 91 LYS HD+ 92 PRO HD+ 5.50 (# 2775:20 Unique 2.32, 5.16 A)
&rst
ixpk= 2775, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1373,1374,
igr2=1386,1387,
&end
#
# 91 LYS HD+ 92 PRO HD- 5.50 (# 2774:20 Unique 2.32, 5.16 A)
&rst
ixpk= 2774, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1373,1374,
igr2=1386,1387,
&end
#
# 91 LYS HD- 91 LYS HE+ 4.50 (# 495:20 Unique 2.33, 2.69 A)
&rst
ixpk= 495, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1373,1374,
igr2=1376,1377,
&end
#
# 91 LYS HD- 91 LYS HE- 3.50 (# 497:20 Unique 2.33, 2.69 A)
&rst
ixpk= 497, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1373,1374,
igr2=1376,1377,
&end
#
# 91 LYS HG+ 91 LYS HD- 2.80 (# 1099:20 Unique 2.31, 2.72 A)
&rst
ixpk= 1099, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1370,1371,
igr2=1373,1374,
&end
#
# 91 LYS HG+ 91 LYS HE+ 2.80 (# 496:20 Unique 2.43, 3.17 A)
&rst
ixpk= 496, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1370,1371,
igr2=1376,1377,
&end
#
# 91 LYS HE+ 95 ALA MB 5.50 (# 2718:20 Unique 3.65, 6.38 A)
&rst
ixpk= 2718, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1376,1377,
igr2=1440,1441,1442,
&end
#
# 91 LYS HN 91 LYS HG+ 5.50 (# 2484:20 Unique 3.90, 4.72 A)
&rst
ixpk= 2484, nxpk= 20, iat=1363, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1370,1371,
&end
#
# 91 LYS HG+ 95 ALA MB 2.80 (# 1699:20 Unique 2.35, 3.89 A)
&rst
ixpk= 1699, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1370,1371,
igr2=1440,1441,1442,
&end
#
# 92 PRO HB+ 92 PRO HA 2.80 (# 137:20 Unique 2.29, 2.53 A)
&rst
ixpk= 137, nxpk= 20, iat= -1,1395, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1392,1393,
&end
#
# 92 PRO HA 92 PRO HB- 2.80 (# 848:20 Unique 2.29, 2.53 A)
&rst
ixpk= 848, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1392,1393,
&end
#
# 92 PRO HA 92 PRO HG+ 4.50 (# 2643:20 Unique 3.86, 3.98 A)
&rst
ixpk= 2643, nxpk= 20, iat=1395, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1389,1390,
&end
#
# 92 PRO HA 93 LYS HN 2.80 (# 246:10 Unique 2.24, 2.33 A)
&rst
ixpk= 246, nxpk= 10, iat=1395,1399, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 92 PRO HA 94 GLU HN 5.50 (# 1227:10 Unique 4.48, 4.57 A)
&rst
ixpk= 1227, nxpk= 10, iat=1395,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 92 PRO HD+ 92 PRO HB+ 4.50 (# 2604:20 Unique 2.90, 3.71 A)
&rst
ixpk= 2604, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1386,1387,
igr2=1392,1393,
&end
#
# 92 PRO HD- 92 PRO HB+ 4.50 (# 2605:20 Unique 2.90, 3.71 A)
&rst
ixpk= 2605, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1386,1387,
igr2=1392,1393,
&end
#
# 92 PRO HG- 92 PRO HB+ 3.50 (# 855:20 Unique 2.35, 2.62 A)
&rst
ixpk= 855, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1389,1390,
igr2=1392,1393,
&end
#
# 92 PRO HB+ 93 LYS HN 2.80 (# 249:10 Unique 2.70, 3.17 A)
&rst
ixpk= 249, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1392,1393,
&end
#
# 94 GLU HN 92 PRO HB+ 4.50 (# 851:20 Unique 2.84, 3.74 A)
&rst
ixpk= 851, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1392,1393,
&end
#
# 92 PRO HB+ 95 ALA HN 4.50 (# 840:10 Unique 3.05, 4.07 A)
&rst
ixpk= 840, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1392,1393,
&end
#
# 92 PRO HB+ 95 ALA MB 5.50 (# 2716:20 Unique 4.17, 5.43 A)
&rst
ixpk= 2716, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1=1392,1393,
igr2=1440,1441,1442,
&end
#
# 92 PRO HB- 92 PRO HD+ 4.50 (# 2722:20 Unique 2.90, 3.71 A)
&rst
ixpk= 2722, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1392,1393,
igr2=1386,1387,
&end
#
# 92 PRO HD- 92 PRO HB- 4.50 (# 2603:20 Unique 2.90, 3.71 A)
&rst
ixpk= 2603, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1386,1387,
igr2=1392,1393,
&end
#
# 92 PRO HB- 92 PRO HG+ 2.80 (# 2818:20 Unique 2.35, 2.62 A)
&rst
ixpk= 2818, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1392,1393,
igr2=1389,1390,
&end
#
# 92 PRO HB- 92 PRO HG- 3.50 (# 1147:20 Unique 2.35, 2.62 A)
&rst
ixpk= 1147, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1392,1393,
igr2=1389,1390,
&end
#
# 93 LYS HN 92 PRO HB- 4.50 (# 847:20 Unique 2.70, 3.17 A)
&rst
ixpk= 847, nxpk= 20, iat=1399, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1392,1393,
&end
#
# 94 GLU HN 92 PRO HB- 5.50 (# 2186:20 Unique 2.84, 3.74 A)
&rst
ixpk= 2186, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1392,1393,
&end
#
# 95 ALA HN 92 PRO HB- 5.50 (# 2402:20 Unique 3.05, 4.07 A)
&rst
ixpk= 2402, nxpk= 20, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1392,1393,
&end
#
# 92 PRO HD+ 92 PRO HG+ 3.50 (# 1140:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1140, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1386,1387,
igr2=1389,1390,
&end
#
# 92 PRO HD+ 92 PRO HG- 3.50 (# 1145:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1145, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1386,1387,
igr2=1389,1390,
&end
#
# 92 PRO HD+ 95 ALA MB 4.50 (# 2623:20 Unique 2.32, 3.79 A)
&rst
ixpk= 2623, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1386,1387,
igr2=1440,1441,1442,
&end
#
# 92 PRO HG+ 92 PRO HD- 3.50 (# 376:20 Unique 2.32, 2.61 A)
&rst
ixpk= 376, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1389,1390,
igr2=1386,1387,
&end
#
# 92 PRO HD- 92 PRO HG- 2.80 (# 1146:20 Unique 2.32, 2.61 A)
&rst
ixpk= 1146, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1386,1387,
igr2=1389,1390,
&end
#
# 95 ALA HN 92 PRO HD- 5.50 (# 2372:20 Unique 3.91, 4.60 A)
&rst
ixpk= 2372, nxpk= 20, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1386,1387,
&end
#
# 92 PRO HD- 95 ALA MB 3.50 (# 1695:20 Unique 2.32, 3.79 A)
&rst
ixpk= 1695, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1386,1387,
igr2=1440,1441,1442,
&end
#
# 92 PRO HG+ 95 ALA HN 4.50 (# 839:10 Unique 2.33, 3.27 A)
&rst
ixpk= 839, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1389,1390,
&end
#
# 95 ALA MB 92 PRO HG+ 4.50 (# 1143:20 Unique 2.29, 3.68 A)
&rst
ixpk= 1143, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1440,1441,1442,
igr2=1389,1390,
&end
#
# 94 GLU HN 92 PRO HG- 5.50 (# 2226:20 Unique 3.84, 4.57 A)
&rst
ixpk= 2226, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1389,1390,
&end
#
# 92 PRO HG- 95 ALA HN 3.50 (# 224:10 Unique 2.33, 3.27 A)
&rst
ixpk= 224, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1389,1390,
&end
#
# 92 PRO HG- 95 ALA MB 3.50 (# 1698:20 Unique 2.29, 3.68 A)
&rst
ixpk= 1698, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1389,1390,
igr2=1440,1441,1442,
&end
#
# 93 LYS HA 93 LYS HB+ 3.50 (# 873:20 Unique 2.46, 2.79 A)
&rst
ixpk= 873, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1403,1404,
&end
#
# 93 LYS HA 93 LYS HB- 3.50 (# 862:20 Unique 2.46, 2.79 A)
&rst
ixpk= 862, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1403,1404,
&end
#
# 93 LYS HD+ 93 LYS HA 4.50 (# 128:20 Unique 2.27, 4.39 A)
&rst
ixpk= 128, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1409,1410,
&end
#
# 93 LYS HG+ 93 LYS HA 3.50 (# 151:20 Unique 2.42, 2.84 A)
&rst
ixpk= 151, nxpk= 20, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1406,1407,
&end
#
# 93 LYS HA 93 LYS HN 2.80 (# 247:10 Unique 2.73, 2.76 A)
&rst
ixpk= 247, nxpk= 10, iat=1401,1399, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 93 LYS HA 94 GLU HN 4.50 (# 1228:10 Unique 3.54, 3.58 A)
&rst
ixpk= 1228, nxpk= 10, iat=1401,1421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 93 LYS HA 96 LEU HB+ 5.50 (# 2662:20 Unique 2.40, 3.46 A)
&rst
ixpk= 2662, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1450,1451,
&end
#
# 93 LYS HA 96 LEU HB- 4.50 (# 2663:20 Unique 2.40, 3.46 A)
&rst
ixpk= 2663, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1450,1451,
&end
#
# 96 LEU HN 93 LYS HA 5.50 (# 2139:20 Unique 3.44, 3.58 A)
&rst
ixpk= 2139, nxpk= 20, iat=1446,1401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HA 96 LEU MDX 4.50 (# 1226:20 Unique 2.26, 4.66 A)
&rst
ixpk= 1226, nxpk= 20, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 93 LYS HA 97 GLN HN 5.50 (# 970:10 Unique 3.97, 4.07 A)
&rst
ixpk= 970, nxpk= 10, iat=1401,1465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 93 LYS HE+ 93 LYS HB+ 5.50 (# 2701:20 Unique 2.22, 4.31 A)
&rst
ixpk= 2701, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1412,1413,
igr2=1403,1404,
&end
#
# 93 LYS HB+ 93 LYS HN 2.80 (# 251:10 Unique 2.16, 2.44 A)
&rst
ixpk= 251, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1403,1404,
&end
#
# 93 LYS HB+ 94 GLU HN 3.50 (# 472:10 Unique 2.22, 3.12 A)
&rst
ixpk= 472, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1403,1404,
&end
#
# 93 LYS HB- 93 LYS HD+ 2.80 (# 1048:20 Unique 2.20, 2.87 A)
&rst
ixpk= 1048, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1403,1404,
igr2=1409,1410,
&end
#
# 93 LYS HE+ 93 LYS HB- 5.50 (# 2702:20 Unique 2.22, 4.31 A)
&rst
ixpk= 2702, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1412,1413,
igr2=1403,1404,
&end
#
# 93 LYS HB- 93 LYS HG+ 2.80 (# 1301:20 Unique 2.33, 2.75 A)
&rst
ixpk= 1301, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1403,1404,
igr2=1406,1407,
&end
#
# 93 LYS HB- 93 LYS HN 2.80 (# 250:10 Unique 2.16, 2.44 A)
&rst
ixpk= 250, nxpk= 10, iat= -1,1399, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1403,1404,
&end
#
# 94 GLU HN 93 LYS HB- 4.50 (# 2185:20 Unique 2.22, 3.12 A)
&rst
ixpk= 2185, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1403,1404,
&end
#
# 93 LYS HE+ 93 LYS HD+ 2.80 (# 2709:20 Unique 2.35, 2.74 A)
&rst
ixpk= 2709, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1412,1413,
igr2=1409,1410,
&end
#
# 93 LYS HD+ 93 LYS HE- 2.80 (# 544:20 Unique 2.35, 2.74 A)
&rst
ixpk= 544, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1409,1410,
igr2=1412,1413,
&end
#
# 93 LYS HG+ 93 LYS HD+ 2.80 (# 1051:20 Unique 2.30, 2.73 A)
&rst
ixpk= 1051, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1406,1407,
igr2=1409,1410,
&end
#
# 93 LYS HE+ 94 GLU HN 5.50 (# 1229:10 Unique 3.81, 6.00 A)
&rst
ixpk= 1229, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1412,1413,
&end
#
# 93 LYS HG+ 93 LYS HE- 3.50 (# 545:20 Unique 2.21, 2.95 A)
&rst
ixpk= 545, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1406,1407,
igr2=1412,1413,
&end
#
# 93 LYS HG+ 94 GLU HA 5.50 (# 2142:20 Unique 3.37, 4.40 A)
&rst
ixpk= 2142, nxpk= 20, iat= -1,1423, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1406,1407,
&end
#
# 93 LYS HG+ 94 GLU HN 3.50 (# 1231:10 Unique 3.37, 4.14 A)
&rst
ixpk= 1231, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1406,1407,
&end
#
# 93 LYS HG+ 97 GLN HG+ 5.50 (# 2798:20 Unique 2.76, 4.24 A)
&rst
ixpk= 2798, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1406,1407,
igr2=1472,1473,
&end
#
# 93 LYS HG+ 97 GLN HG- 5.50 (# 2799:20 Unique 2.76, 4.24 A)
&rst
ixpk= 2799, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1406,1407,
igr2=1472,1473,
&end
#
# 93 LYS HG+ 97 GLN HN 5.50 (# 964:10 Unique 4.27, 4.73 A)
&rst
ixpk= 964, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1406,1407,
&end
#
# 93 LYS HN 94 GLU HN 3.50 (# 466:10 Unique 2.89, 2.98 A)
&rst
ixpk= 466, nxpk= 10, iat=1399,1421, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLU HA 94 GLU HG+ 3.50 (# 669:20 Unique 2.43, 2.94 A)
&rst
ixpk= 669, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1428,1429,
&end
#
# 94 GLU HA 94 GLU HN 2.80 (# 468:10 Unique 2.80, 2.83 A)
&rst
ixpk= 468, nxpk= 10, iat=1423,1421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 GLU HA 95 ALA HN 4.50 (# 843:10 Unique 3.56, 3.60 A)
&rst
ixpk= 843, nxpk= 10, iat=1423,1436, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 94 GLU HA 96 LEU HN 5.50 (# 998:10 Unique 4.37, 4.48 A)
&rst
ixpk= 998, nxpk= 10, iat=1423,1446, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU HA 97 GLN HB- 3.50 (# 1087:20 Unique 2.55, 3.83 A)
&rst
ixpk= 1087, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1469,1470,
&end
#
# 94 GLU HA 97 GLN HG+ 5.50 (# 2599:20 Unique 2.36, 4.19 A)
&rst
ixpk= 2599, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1472,1473,
&end
#
# 94 GLU HA 97 GLN HG- 5.50 (# 2600:20 Unique 2.36, 4.19 A)
&rst
ixpk= 2600, nxpk= 20, iat=1423, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1472,1473,
&end
#
# 94 GLU HA 97 GLN HN 3.50 (# 974:10 Unique 3.38, 3.50 A)
&rst
ixpk= 974, nxpk= 10, iat=1423,1465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 94 GLU HA 98 GLU HN 5.50 (# 909:10 Unique 3.78, 4.08 A)
&rst
ixpk= 909, nxpk= 10, iat=1423,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 94 GLU HB+ 94 GLU HN 2.80 (# 471:10 Unique 2.33, 2.94 A)
&rst
ixpk= 471, nxpk= 10, iat= -1,1421, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1425,1426,
&end
#
# 94 GLU HB+ 95 ALA HN 3.50 (# 223:10 Unique 2.49, 3.15 A)
&rst
ixpk= 223, nxpk= 10, iat= -1,1436, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1425,1426,
&end
#
# 94 GLU HN 94 GLU HG+ 4.50 (# 2192:20 Unique 2.20, 3.29 A)
&rst
ixpk= 2192, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1428,1429,
&end
#
# 95 ALA HN 94 GLU HG+ 5.50 (# 2412:20 Unique 3.73, 4.70 A)
&rst
ixpk= 2412, nxpk= 20, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 94 GLU HN 94 GLU HG- 4.50 (# 2193:20 Unique 2.20, 3.29 A)
&rst
ixpk= 2193, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2=1428,1429,
&end
#
# 95 ALA HN 94 GLU HG- 5.50 (# 2415:20 Unique 3.73, 4.70 A)
&rst
ixpk= 2415, nxpk= 20, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1428,1429,
&end
#
# 95 ALA HN 94 GLU HN 2.80 (# 467:10 Unique 2.75, 2.82 A)
&rst
ixpk= 467, nxpk= 10, iat=1436,1421, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 94 GLU HN 95 ALA MB 5.50 (# 2243:20 Unique 4.95, 5.58 A)
&rst
ixpk= 2243, nxpk= 20, iat=1421, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1440,1441,1442,
&end
#
# 96 LEU HN 94 GLU HN 5.50 (# 465:10 Unique 4.07, 4.20 A)
&rst
ixpk= 465, nxpk= 10, iat=1446,1421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA HA 95 ALA HN 2.80 (# 222:10 Unique 2.83, 2.85 A)
&rst
ixpk= 222, nxpk= 10, iat=1438,1436, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 95 ALA MB 95 ALA HA 2.80 (# 319:20 Unique 2.40, 2.66 A)
&rst
ixpk= 319, nxpk= 20, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr1=1440,1441,1442,
&end
#
# 96 LEU HN 95 ALA HA 5.50 (# 2352:20 Unique 3.57, 3.58 A)
&rst
ixpk= 2352, nxpk= 20, iat=1446,1438, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA HA 97 GLN HN 5.50 (# 975:10 Unique 4.43, 4.55 A)
&rst
ixpk= 975, nxpk= 10, iat=1438,1465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLU HB+ 95 ALA HA 3.50 (# 316:20 Unique 2.31, 3.29 A)
&rst
ixpk= 316, nxpk= 20, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1486,1487,
&end
#
# 98 GLU HG+ 95 ALA HA 5.50 (# 2783:20 Unique 3.53, 4.13 A)
&rst
ixpk= 2783, nxpk= 20, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1489,1490,
&end
#
# 95 ALA HA 98 GLU HN 3.50 (# 408:10 Unique 3.28, 3.44 A)
&rst
ixpk= 408, nxpk= 10, iat=1438,1482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 95 ALA HA 99 LEU HN 5.50 (# 1240:10 Unique 4.07, 4.14 A)
&rst
ixpk= 1240, nxpk= 10, iat=1438,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 95 ALA HN 95 ALA MB 2.80 (# 1693:20 Unique 2.39, 2.91 A)
&rst
ixpk= 1693, nxpk= 20, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
igr2=1440,1441,1442,
&end
#
# 95 ALA HN 96 LEU HN 2.80 (# 323:10 Unique 2.56, 2.69 A)
&rst
ixpk= 323, nxpk= 10, iat=1436,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 95 ALA HN 97 GLN HE2- 5.50 (# 594:10 Unique 4.87, 5.96 A)
&rst
ixpk= 594, nxpk= 10, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1477,1478,
&end
#
# 95 ALA HN 97 GLN HN 4.50 (# 977:10 Unique 4.10, 4.29 A)
&rst
ixpk= 977, nxpk= 10, iat=1436,1465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 95 ALA HN 98 GLU HN 5.50 (# 406:10 Unique 4.57, 4.75 A)
&rst
ixpk= 406, nxpk= 10, iat=1436,1482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LEU HA 95 ALA MB 5.50 (# 2622:20 Unique 4.33, 4.90 A)
&rst
ixpk= 2622, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1440,1441,1442,
&end
#
# 96 LEU HN 95 ALA MB 3.50 (# 1692:20 Unique 2.62, 3.48 A)
&rst
ixpk= 1692, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1440,1441,1442,
&end
#
# 98 GLU HN 95 ALA MB 5.50 (# 2454:20 Unique 5.26, 5.58 A)
&rst
ixpk= 2454, nxpk= 20, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1440,1441,1442,
&end
#
# 96 LEU HA 96 LEU HB+ 3.50 (# 537:20 Unique 2.45, 2.79 A)
&rst
ixpk= 537, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1450,1451,
&end
#
# 96 LEU HA 96 LEU HB- 3.50 (# 531:20 Unique 2.45, 2.79 A)
&rst
ixpk= 531, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1450,1451,
&end
#
# 96 LEU HA 96 LEU HG 5.50 (# 2641:20 Unique 2.23, 2.95 A)
&rst
ixpk= 2641, nxpk= 20, iat=1448,1453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 96 LEU HA 96 LEU HN 2.80 (# 324:10 Unique 2.82, 2.83 A)
&rst
ixpk= 324, nxpk= 10, iat=1448,1446, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 96 LEU HA 96 LEU MDX 5.50 (# 2669:20 Unique 2.16, 3.84 A)
&rst
ixpk= 2669, nxpk= 20, iat=1448, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 96 LEU MDY 96 LEU HA 2.80 (# 258:20 Unique 2.16, 3.84 A)
&rst
ixpk= 258, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1=1455,1456,1457,1459,1460,1461,
&end
#
# 96 LEU HA 97 GLN HN 3.50 (# 973:10 Unique 3.57, 3.59 A)
&rst
ixpk= 973, nxpk= 10, iat=1448,1465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 99 LEU MDY 96 LEU HA 3.50 (# 249:20 Unique 2.55, 4.82 A)
&rst
ixpk= 249, nxpk= 20, iat= -1,1448, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
# 96 LEU HB+ 96 LEU HG 3.50 (# 1200:20 Unique 2.41, 2.79 A)
&rst
ixpk= 1200, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1450,1451,
&end
#
# 96 LEU HB+ 96 LEU HN 2.80 (# 327:10 Unique 2.27, 3.01 A)
&rst
ixpk= 327, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1450,1451,
&end
#
# 96 LEU HB+ 96 LEU MDX 2.80 (# 1229:20 Unique 2.37, 3.31 A)
&rst
ixpk= 1229, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1450,1451,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 96 LEU HB+ 97 GLN HN 3.50 (# 965:10 Unique 2.45, 3.02 A)
&rst
ixpk= 965, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1450,1451,
&end
#
# 96 LEU HB- 96 LEU HG 2.80 (# 1198:20 Unique 2.41, 2.79 A)
&rst
ixpk= 1198, nxpk= 20, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1450,1451,
&end
#
# 96 LEU HB- 96 LEU HN 2.80 (# 325:10 Unique 2.27, 3.01 A)
&rst
ixpk= 325, nxpk= 10, iat= -1,1446, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1450,1451,
&end
#
# 96 LEU HB- 97 GLN HN 2.80 (# 345:10 Unique 2.45, 3.02 A)
&rst
ixpk= 345, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1450,1451,
&end
#
# 96 LEU HN 96 LEU HG 3.50 (# 1199:20 Unique 2.34, 2.52 A)
&rst
ixpk= 1199, nxpk= 20, iat=1446,1453, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 96 LEU HN 96 LEU MDX 5.50 (# 1225:20 Unique 2.26, 4.43 A)
&rst
ixpk= 1225, nxpk= 20, iat=1446, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr2=1455,1456,1457,1459,1460,1461,
&end
#
# 96 LEU HN 97 GLN HN 2.80 (# 339:10 Unique 2.75, 2.81 A)
&rst
ixpk= 339, nxpk= 10, iat=1446,1465, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 GLN HA 97 GLN HB+ 2.80 (# 1094:20 Unique 2.27, 2.77 A)
&rst
ixpk= 1094, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1469,1470,
&end
#
# 97 GLN HA 97 GLN HG+ 3.50 (# 753:20 Unique 2.59, 3.09 A)
&rst
ixpk= 753, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1472,1473,
&end
#
# 97 GLN HA 97 GLN HG- 3.50 (# 777:20 Unique 2.59, 3.09 A)
&rst
ixpk= 777, nxpk= 20, iat=1467, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1472,1473,
&end
#
# 97 GLN HA 97 GLN HN 2.80 (# 341:10 Unique 2.84, 2.86 A)
&rst
ixpk= 341, nxpk= 10, iat=1467,1465, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 GLN HA 98 GLU HN 3.50 (# 910:10 Unique 3.48, 3.56 A)
&rst
ixpk= 910, nxpk= 10, iat=1467,1482, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 97 GLN HA 99 LEU HN 5.50 (# 1241:10 Unique 3.97, 4.25 A)
&rst
ixpk= 1241, nxpk= 10, iat=1467,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 97 GLN HB+ 97 GLN HN 2.80 (# 344:10 Unique 2.21, 3.07 A)
&rst
ixpk= 344, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1469,1470,
&end
#
# 98 GLU HN 97 GLN HB+ 3.50 (# 1093:20 Unique 2.52, 3.14 A)
&rst
ixpk= 1093, nxpk= 20, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1469,1470,
&end
#
# 97 GLN HB- 97 GLN HN 2.80 (# 343:10 Unique 2.21, 3.07 A)
&rst
ixpk= 343, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1469,1470,
&end
#
# 97 GLN HE2+ 97 GLN HG+ 3.50 (# 752:20 Unique 2.23, 3.46 A)
&rst
ixpk= 752, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1477,1478,
igr2=1472,1473,
&end
#
# 97 GLN HG- 97 GLN HE2+ 2.80 (# 591:10 Unique 2.23, 3.46 A)
&rst
ixpk= 591, nxpk= 10, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1=1472,1473,
igr2=1477,1478,
&end
#
# 97 GLN HE2- 97 GLN HG+ 5.50 (# 2407:20 Unique 2.23, 3.46 A)
&rst
ixpk= 2407, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1477,1478,
igr2=1472,1473,
&end
#
# 97 GLN HE2- 97 GLN HG- 5.50 (# 2408:20 Unique 2.23, 3.46 A)
&rst
ixpk= 2408, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1477,1478,
igr2=1472,1473,
&end
#
# 97 GLN HG+ 97 GLN HN 2.80 (# 342:10 Unique 2.31, 3.16 A)
&rst
ixpk= 342, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1472,1473,
&end
#
# 97 GLN HG- 97 GLN HN 3.50 (# 962:10 Unique 2.31, 3.16 A)
&rst
ixpk= 962, nxpk= 10, iat= -1,1465, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1472,1473,
&end
#
# 97 GLN HN 98 GLU HN 2.80 (# 405:10 Unique 2.62, 2.69 A)
&rst
ixpk= 405, nxpk= 10, iat=1465,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 97 GLN HN 99 LEU HN 5.50 (# 1243:10 Unique 3.96, 4.10 A)
&rst
ixpk= 1243, nxpk= 10, iat=1465,1497, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 98 GLU HA 98 GLU HB+ 2.80 (# 1024:20 Unique 2.54, 2.81 A)
&rst
ixpk= 1024, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1486,1487,
&end
#
# 98 GLU HA 98 GLU HG+ 3.50 (# 686:20 Unique 2.36, 2.97 A)
&rst
ixpk= 686, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1489,1490,
&end
#
# 98 GLU HA 98 GLU HG- 3.50 (# 694:20 Unique 2.36, 2.97 A)
&rst
ixpk= 694, nxpk= 20, iat=1484, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1489,1490,
&end
#
# 98 GLU HA 98 GLU HN 2.80 (# 409:10 Unique 2.84, 2.85 A)
&rst
ixpk= 409, nxpk= 10, iat=1484,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 LEU HN 98 GLU HA 3.50 (# 194:20 Unique 3.55, 3.58 A)
&rst
ixpk= 194, nxpk= 20, iat=1497,1484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 98 GLU HN 98 GLU HB+ 2.80 (# 2387:20 Unique 2.28, 2.97 A)
&rst
ixpk= 2387, nxpk= 20, iat=1482, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1486,1487,
&end
#
# 99 LEU HN 98 GLU HB+ 3.50 (# 2386:20 Unique 2.88, 3.32 A)
&rst
ixpk= 2386, nxpk= 20, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1486,1487,
&end
#
# 98 GLU HG+ 98 GLU HN 3.50 (# 911:10 Unique 2.50, 3.14 A)
&rst
ixpk= 911, nxpk= 10, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1489,1490,
&end
#
# 99 LEU HN 98 GLU HG+ 5.50 (# 2411:20 Unique 4.65, 4.97 A)
&rst
ixpk= 2411, nxpk= 20, iat=1497, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1489,1490,
&end
#
# 99 LEU HN 98 GLU HN 2.80 (# 407:10 Unique 2.65, 2.71 A)
&rst
ixpk= 407, nxpk= 10, iat=1497,1482, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 99 LEU HA 99 LEU HB+ 3.50 (# 474:20 Unique 2.25, 2.66 A)
&rst
ixpk= 474, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1501,1502,
&end
#
# 99 LEU HA 99 LEU HB- 2.80 (# 467:20 Unique 2.25, 2.66 A)
&rst
ixpk= 467, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2=1501,1502,
&end
#
# 99 LEU HA 99 LEU HG 4.50 (# 2639:20 Unique 3.20, 3.38 A)
&rst
ixpk= 2639, nxpk= 20, iat=1499,1504, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 99 LEU HA 99 LEU MDX 2.80 (# 1332:20 Unique 2.15, 4.02 A)
&rst
ixpk= 1332, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 99 LEU HA 99 LEU MDY 2.80 (# 1317:20 Unique 2.15, 4.02 A)
&rst
ixpk= 1317, nxpk= 20, iat=1499, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 99 LEU HB+ 99 LEU HN 2.80 (# 392:10 Unique 1.94, 2.43 A)
&rst
ixpk= 392, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1501,1502,
&end
#
# 99 LEU HB- 99 LEU HN 2.80 (# 390:10 Unique 1.94, 2.43 A)
&rst
ixpk= 390, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr1=1501,1502,
&end
#
# 99 LEU HB- 99 LEU MDX 2.80 (# 1336:20 Unique 2.31, 3.28 A)
&rst
ixpk= 1336, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1501,1502,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 99 LEU HB- 99 LEU MDY 2.80 (# 1320:20 Unique 2.31, 3.28 A)
&rst
ixpk= 1320, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1501,1502,
igr2=1506,1507,1508,1510,1511,1512,
&end
#
# 99 LEU HN 99 LEU HG 4.20 (# 1185:20 Unique 2.18, 3.76 A)
&rst
ixpk= 1185, nxpk= 20, iat=1497,1504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 99 LEU MDY 99 LEU HN 4.50 (# 1236:10 Unique 3.25, 4.98 A)
&rst
ixpk= 1236, nxpk= 10, iat= -1,1497, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1=1506,1507,1508,1510,1511,1512,
&end
#
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