NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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480594 |
2p0q   |
cing | 1-original | 2 | AMBER | dihedral angle |
# # chirality for residue 1 atoms: CA CG HB2 HB3 &rst iat=5,10,8,9, r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150., &end # # chirality for residue 1 atoms: CB SD HG2 HG3 &rst iat=7,13,11,12, &end # # chirality for residue 1 atoms: N C HA CB &rst iat=1,18,6,7, &end # # chirality for residue 2 atoms: N C HA CB &rst iat=20,28,23,24, &end # # chirality for residue 3 atoms: CA OG HB2 HB3 &rst iat=32,37,35,36, &end # # chirality for residue 3 atoms: N C HA CB &rst iat=30,39,33,34, &end # # chirality for residue 4 atoms: CA CG1 CG2 HB &rst iat=43,47,51,46, &end # # chirality for residue 4 atoms: N C HA CB &rst iat=41,55,44,45, &end # # chirality for residue 5 atoms: CA CG HB2 HB3 &rst iat=59,64,62,63, &end # # chirality for residue 5 atoms: CB CD HG2 HG3 &rst iat=61,67,65,66, &end # # chirality for residue 5 atoms: N C HA CB &rst iat=57,70,60,61, &end # # chirality for residue 6 atoms: CA CG HB2 HB3 &rst iat=74,79,77,78, &end # # chirality for residue 6 atoms: CB CD HG2 HG3 &rst iat=76,82,80,81, &end # # chirality for residue 6 atoms: CG NE HD2 HD3 &rst iat=79,85,83,84, &end # # chirality for residue 6 atoms: N C HA CB &rst iat=72,94,75,76, &end # # chirality for residue 7 atoms: CA CG HB2 HB3 &rst iat=98,103,101,102, &end # # chirality for residue 7 atoms: N C HA CB &rst iat=96,106,99,100, &end # # chirality for residue 8 atoms: CA CG HB2 HB3 &rst iat=110,115,113,114, &end # # chirality for residue 8 atoms: CB CD HG2 HG3 &rst iat=112,118,116,117, &end # # chirality for residue 8 atoms: N C HA CB &rst iat=108,121,111,112, &end # # chirality for residue 9 atoms: CA CG2 OG1 HB &rst iat=125,129,133,128, &end # # chirality for residue 9 atoms: N C HA CB &rst iat=123,135,126,127, &end # # chirality for residue 10 atoms: CA CG HB2 HB3 &rst iat=139,144,142,143, &end # # chirality for residue 10 atoms: CB CD HG2 HG3 &rst iat=141,147,145,146, &end # # chirality for residue 10 atoms: CG NE HD2 HD3 &rst iat=144,150,148,149, &end # # chirality for residue 10 atoms: N C HA CB &rst iat=137,159,140,141, &end # # chirality for residue 11 atoms: CA CG HB2 HB3 &rst iat=163,168,166,167, &end # # chirality for residue 11 atoms: CB CD HG2 HG3 &rst iat=165,171,169,170, &end # # chirality for residue 11 atoms: N C HA CB &rst iat=161,174,164,165, &end # # chirality for residue 12 atoms: CA CG HB2 HB3 &rst iat=178,183,181,182, &end # # chirality for residue 12 atoms: N C HA CB &rst iat=176,191,179,180, &end # # chirality for residue 13 atoms: CA CG HB2 HB3 &rst iat=195,200,198,199, &end # # chirality for residue 13 atoms: CB CD HG2 HG3 &rst iat=197,203,201,202, &end # # chirality for residue 13 atoms: CG NE HD2 HD3 &rst iat=200,206,204,205, &end # # chirality for residue 13 atoms: N C HA CB &rst iat=193,215,196,197, &end # # chirality for residue 14 atoms: CA CG2 CG1 HB &rst iat=219,223,227,222, &end # # chirality for residue 14 atoms: CB CD1 HG12 HG13 &rst iat=221,230,228,229, &end # # chirality for residue 14 atoms: N C HA CB &rst iat=217,234,220,221, &end # # chirality for residue 15 atoms: CA CG HB2 HB3 &rst iat=238,243,241,242, &end # # chirality for residue 15 atoms: CB CD HG2 HG3 &rst iat=240,246,244,245, &end # # chirality for residue 15 atoms: N C HA CB &rst iat=236,249,239,240, &end # # chirality for residue 16 atoms: CA CG2 OG1 HB &rst iat=253,257,261,256, &end # # chirality for residue 16 atoms: N C HA CB &rst iat=251,263,254,255, &end # # chirality for residue 17 atoms: CA CG HB2 HB3 &rst iat=267,272,270,271, &end # # chirality for residue 17 atoms: CB CD HG2 HG3 &rst iat=269,275,273,274, &end # # chirality for residue 17 atoms: N C HA CB &rst iat=265,278,268,269, &end # # chirality for residue 18 atoms: CA CG2 CG1 HB &rst iat=282,286,290,285, &end # # chirality for residue 18 atoms: CB CD1 HG12 HG13 &rst iat=284,293,291,292, &end # # chirality for residue 18 atoms: N C HA CB &rst iat=280,297,283,284, &end # # chirality for residue 19 atoms: CA CG2 CG1 HB &rst iat=301,305,309,304, &end # # chirality for residue 19 atoms: CB CD1 HG12 HG13 &rst iat=303,312,310,311, &end # # chirality for residue 19 atoms: N C HA CB &rst iat=299,316,302,303, &end # # chirality for residue 20 atoms: CA CG1 CG2 HB &rst iat=320,324,328,323, &end # # chirality for residue 20 atoms: N C HA CB &rst iat=318,332,321,322, &end # # chirality for residue 21 atoms: CA CG HB2 HB3 &rst iat=336,341,339,340, &end # # chirality for residue 21 atoms: N C HA CB &rst iat=334,344,337,338, &end # # chirality for residue 22 atoms: N C HA CB &rst iat=346,354,349,350, &end # # chirality for residue 23 atoms: CA CG HB2 HB3 &rst iat=358,363,361,362, &end # # chirality for residue 23 atoms: CB CD HG2 HG3 &rst iat=360,366,364,365, &end # # chirality for residue 23 atoms: N C HA CB &rst iat=356,369,359,360, &end # # chirality for residue 24 atoms: CA CG HB2 HB3 &rst iat=373,378,376,377, &end # # chirality for residue 24 atoms: N C HA CB &rst iat=371,381,374,375, &end # # chirality for residue 25 atoms: CA CG HB2 HB3 &rst iat=385,390,388,389, &end # # chirality for residue 25 atoms: CB CD HG2 HG3 &rst iat=387,393,391,392, &end # # chirality for residue 25 atoms: CD NZ HE2 HE3 &rst iat=393,399,397,398, &end # # chirality for residue 25 atoms: CG CE HD2 HD3 &rst iat=390,396,394,395, &end # # chirality for residue 25 atoms: N C HA CB &rst iat=383,403,386,387, &end # # chirality for residue 26 atoms: CA CG HB2 HB3 &rst iat=407,412,410,411, &end # # chirality for residue 26 atoms: CB CD HG2 HG3 &rst iat=409,415,413,414, &end # # chirality for residue 26 atoms: N C HA CB &rst iat=405,418,408,409, &end # # chirality for residue 27 atoms: CA CG HB2 HB3 &rst iat=422,427,425,426, &end # # chirality for residue 27 atoms: CB CD HG2 HG3 &rst iat=424,430,428,429, &end # # chirality for residue 27 atoms: N C HA CB &rst iat=420,433,423,424, &end # # chirality for residue 28 atoms: CA CG HB2 HB3 &rst iat=437,442,440,441, &end # # chirality for residue 28 atoms: CB CD HG2 HG3 &rst iat=439,445,443,444, &end # # chirality for residue 28 atoms: CG NE HD2 HD3 &rst iat=442,448,446,447, &end # # chirality for residue 28 atoms: N C HA CB &rst iat=435,457,438,439, &end # # chirality for residue 29 atoms: N C HA CB &rst iat=459,467,462,463, &end # # chirality for residue 30 atoms: CA CG HB2 HB3 &rst iat=471,476,474,475, &end # # chirality for residue 30 atoms: CB SD HG2 HG3 &rst iat=473,479,477,478, &end # # chirality for residue 30 atoms: N C HA CB &rst iat=469,484,472,473, &end # # chirality for residue 31 atoms: N C HA2 HA3 &rst iat=486,491,489,490, &end # # chirality for residue 32 atoms: CA CG HB2 HB3 &rst iat=495,500,498,499, &end # # chirality for residue 32 atoms: N C HA CB &rst iat=493,515,496,497, &end # # chirality for residue 33 atoms: CA CG HB2 HB3 &rst iat=519,524,522,523, &end # # chirality for residue 33 atoms: N C HA CB &rst iat=517,536,520,521, &end # # chirality for residue 34 atoms: CA CG HB2 HB3 &rst iat=540,545,543,544, &end # # chirality for residue 34 atoms: N C HA CB &rst iat=538,557,541,542, &end # # chirality for residue 35 atoms: CA CG HB2 HB3 &rst iat=561,566,564,565, &end # # chirality for residue 35 atoms: N C HA CB &rst iat=559,578,562,563, &end # # chirality for residue 36 atoms: CA CG HB2 HB3 &rst iat=582,587,585,586, &end # # chirality for residue 36 atoms: CB CD1 CD2 HG &rst iat=584,589,593,588, &end # # chirality for residue 36 atoms: N C HA CB &rst iat=580,597,583,584, &end # # chirality for residue 37 atoms: CA CG HB2 HB3 &rst iat=601,606,604,605, &end # # chirality for residue 37 atoms: N C HA CB &rst iat=599,609,602,603, &end # # chirality for residue 38 atoms: CA CG HB2 HB3 &rst iat=613,618,616,617, &end # # chirality for residue 38 atoms: N C HA CB &rst iat=611,621,614,615, &end # # chirality for residue 39 atoms: CA CG2 OG1 HB &rst iat=625,629,633,628, &end # # chirality for residue 39 atoms: N C HA CB &rst iat=623,635,626,627, &end # # chirality for residue 40 atoms: CA CG HB2 HB3 &rst iat=639,644,642,643, &end # # chirality for residue 40 atoms: CB CD1 CD2 HG &rst iat=641,646,650,645, &end # # chirality for residue 40 atoms: N C HA CB &rst iat=637,654,640,641, &end # # chirality for residue 41 atoms: CA CG HB2 HB3 &rst iat=658,663,661,662, &end # # chirality for residue 41 atoms: CB CD HG2 HG3 &rst iat=660,666,664,665, &end # # chirality for residue 41 atoms: N C HA CB &rst iat=656,669,659,660, &end # # chirality for residue 42 atoms: CA CG HB2 HB3 &rst iat=673,678,676,677, &end # # chirality for residue 42 atoms: N C HA CB &rst iat=671,689,674,675, &end # # chirality for residue 43 atoms: CA CG HB2 HB3 &rst iat=701,695,699,700, &end # # chirality for residue 43 atoms: CB CD HG2 HG3 &rst iat=698,692,696,697, &end # # chirality for residue 43 atoms: CG N HD2 HD3 &rst iat=695,691,693,694, &end # # chirality for residue 43 atoms: N C HA CB &rst iat=691,703,702,698, &end # # chirality for residue 44 atoms: CA CG HB2 HB3 &rst iat=707,712,710,711, &end # # chirality for residue 44 atoms: N C HA CB &rst iat=705,723,708,709, &end # # chirality for residue 45 atoms: CA CG HB2 HB3 &rst iat=727,732,730,731, &end # # chirality for residue 45 atoms: CB SD HG2 HG3 &rst iat=729,735,733,734, &end # # chirality for residue 45 atoms: N C HA CB &rst iat=725,740,728,729, &end # # chirality for residue 46 atoms: N C HA2 HA3 &rst iat=742,747,745,746, &end # # chirality for residue 47 atoms: CA CG HB2 HB3 &rst iat=751,756,754,755, &end # # chirality for residue 47 atoms: CB CD HG2 HG3 &rst iat=753,759,757,758, &end # # chirality for residue 47 atoms: CD NZ HE2 HE3 &rst iat=759,765,763,764, &end # # chirality for residue 47 atoms: CG CE HD2 HD3 &rst iat=756,762,760,761, &end # # chirality for residue 47 atoms: N C HA CB &rst iat=749,769,752,753, &end # # chirality for residue 48 atoms: CA CG HB2 HB3 &rst iat=773,778,776,777, &end # # chirality for residue 48 atoms: N C HA CB &rst iat=771,793,774,775, &end # # chirality for residue 49 atoms: CA CG HB2 HB3 &rst iat=797,802,800,801, &end # # chirality for residue 49 atoms: CB CD HG2 HG3 &rst iat=799,805,803,804, &end # # chirality for residue 49 atoms: CD NZ HE2 HE3 &rst iat=805,811,809,810, &end # # chirality for residue 49 atoms: CG CE HD2 HD3 &rst iat=802,808,806,807, &end # # chirality for residue 49 atoms: N C HA CB &rst iat=795,815,798,799, &end # # chirality for residue 50 atoms: CA CG HB2 HB3 &rst iat=819,824,822,823, &end # # chirality for residue 50 atoms: CB CD HG2 HG3 &rst iat=821,827,825,826, &end # # chirality for residue 50 atoms: CD NZ HE2 HE3 &rst iat=827,833,831,832, &end # # chirality for residue 50 atoms: CG CE HD2 HD3 &rst iat=824,830,828,829, &end # # chirality for residue 50 atoms: N C HA CB &rst iat=817,837,820,821, &end # # chirality for residue 51 atoms: CA CG HB2 HB3 &rst iat=841,846,844,845, &end # # chirality for residue 51 atoms: CB CD HG2 HG3 &rst iat=843,849,847,848, &end # # chirality for residue 51 atoms: CD NZ HE2 HE3 &rst iat=849,855,853,854, &end # # chirality for residue 51 atoms: CG CE HD2 HD3 &rst iat=846,852,850,851, &end # # chirality for residue 51 atoms: N C HA CB &rst iat=839,859,842,843, &end # # chirality for residue 52 atoms: CA OG HB2 HB3 &rst iat=863,868,866,867, &end # # chirality for residue 52 atoms: N C HA CB &rst iat=861,870,864,865, &end # # chirality for residue 53 atoms: CA CG HB2 HB3 &rst iat=874,879,877,878, &end # # chirality for residue 53 atoms: CB CD HG2 HG3 &rst iat=876,882,880,881, &end # # chirality for residue 53 atoms: CG NE HD2 HD3 &rst iat=879,885,883,884, &end # # chirality for residue 53 atoms: N C HA CB &rst iat=872,894,875,876, &end # # chirality for residue 54 atoms: CA CG HB2 HB3 &rst iat=898,903,901,902, &end # # chirality for residue 54 atoms: CB CD HG2 HG3 &rst iat=900,906,904,905, &end # # chirality for residue 54 atoms: CD NZ HE2 HE3 &rst iat=906,912,910,911, &end # # chirality for residue 54 atoms: CG CE HD2 HD3 &rst iat=903,909,907,908, &end # # chirality for residue 54 atoms: N C HA CB &rst iat=896,916,899,900, &end # # chirality for residue 55 atoms: CA CG2 OG1 HB &rst iat=920,924,928,923, &end # # chirality for residue 55 atoms: N C HA CB &rst iat=918,930,921,922, &end # # chirality for residue 56 atoms: CA OG HB2 HB3 &rst iat=934,939,937,938, &end # # chirality for residue 56 atoms: N C HA CB &rst iat=932,941,935,936, &end # # chirality for residue 57 atoms: CA CG2 OG1 HB &rst iat=945,949,953,948, &end # # chirality for residue 57 atoms: N C HA CB &rst iat=943,955,946,947, &end # # chirality for residue 58 atoms: CA CG2 CG1 HB &rst iat=959,963,967,962, &end # # chirality for residue 58 atoms: CB CD1 HG12 HG13 &rst iat=961,970,968,969, &end # # chirality for residue 58 atoms: N C HA CB &rst iat=957,974,960,961, &end # # chirality for residue 59 atoms: CA CG HB2 HB3 &rst iat=978,983,981,982, &end # # chirality for residue 59 atoms: CB CD HG2 HG3 &rst iat=980,986,984,985, &end # # chirality for residue 59 atoms: N C HA CB &rst iat=976,989,979,980, &end # # chirality for residue 60 atoms: CA CG HB2 HB3 &rst iat=993,998,996,997, &end # # chirality for residue 60 atoms: CB CD HG2 HG3 &rst iat=995,1001,999,1000, &end # # chirality for residue 60 atoms: N C HA CB &rst iat=991,1004,994,995, &end # # chirality for residue 61 atoms: CA CG HB2 HB3 &rst iat=1008,1013,1011,1012, &end # # chirality for residue 61 atoms: CB CD HG2 HG3 &rst iat=1010,1016,1014,1015, &end # # chirality for residue 61 atoms: CD NZ HE2 HE3 &rst iat=1016,1022,1020,1021, &end # # chirality for residue 61 atoms: CG CE HD2 HD3 &rst iat=1013,1019,1017,1018, &end # # chirality for residue 61 atoms: N C HA CB &rst iat=1006,1026,1009,1010, &end # # chirality for residue 62 atoms: CA CG2 OG1 HB &rst iat=1030,1034,1038,1033, &end # # chirality for residue 62 atoms: N C HA CB &rst iat=1028,1040,1031,1032, &end # # chirality for residue 63 atoms: CA CG1 CG2 HB &rst iat=1044,1048,1052,1047, &end # # chirality for residue 63 atoms: N C HA CB &rst iat=1042,1056,1045,1046, &end # # chirality for residue 64 atoms: CA CG HB2 HB3 &rst iat=1060,1065,1063,1064, &end # # chirality for residue 64 atoms: CB CD HG2 HG3 &rst iat=1062,1068,1066,1067, &end # # chirality for residue 64 atoms: N C HA CB &rst iat=1058,1071,1061,1062, &end # # chirality for residue 65 atoms: CA CG1 CG2 HB &rst iat=1075,1079,1083,1078, &end # # chirality for residue 65 atoms: N C HA CB &rst iat=1073,1087,1076,1077, &end # # chirality for residue 66 atoms: CA CG HB2 HB3 &rst iat=1091,1096,1094,1095, &end # # chirality for residue 66 atoms: CB CD1 CD2 HG &rst iat=1093,1098,1102,1097, &end # # chirality for residue 66 atoms: N C HA CB &rst iat=1089,1106,1092,1093, &end # # chirality for residue 67 atoms: N C HA2 HA3 &rst iat=1108,1113,1111,1112, &end # # chirality for residue 68 atoms: CA CG HB2 HB3 &rst iat=1117,1122,1120,1121, &end # # chirality for residue 68 atoms: CB SD HG2 HG3 &rst iat=1119,1125,1123,1124, &end # # chirality for residue 68 atoms: N C HA CB &rst iat=1115,1130,1118,1119, &end # # chirality for residue 69 atoms: N C HA CB &rst iat=1132,1140,1135,1136, &end # # chirality for residue 70 atoms: CA CG HB2 HB3 &rst iat=1152,1146,1150,1151, &end # # chirality for residue 70 atoms: CB CD HG2 HG3 &rst iat=1149,1143,1147,1148, &end # # chirality for residue 70 atoms: CG N HD2 HD3 &rst iat=1146,1142,1144,1145, &end # # chirality for residue 70 atoms: N C HA CB &rst iat=1142,1154,1153,1149, &end # # chirality for residue 71 atoms: CA CG HB2 HB3 &rst iat=1158,1163,1161,1162, &end # # chirality for residue 71 atoms: N C HA CB &rst iat=1156,1166,1159,1160, &end # # chirality for residue 72 atoms: CA CG HB2 HB3 &rst iat=1170,1175,1173,1174, &end # # chirality for residue 72 atoms: N C HA CB &rst iat=1168,1178,1171,1172, &end # # chirality for residue 73 atoms: CA CG HB2 HB3 &rst iat=1182,1187,1185,1186, &end # # chirality for residue 73 atoms: CB CD HG2 HG3 &rst iat=1184,1190,1188,1189, &end # # chirality for residue 73 atoms: N C HA CB &rst iat=1180,1193,1183,1184, &end # # chirality for residue 74 atoms: CA SG HB2 HB3 &rst iat=1197,1202,1200,1201, &end # # chirality for residue 74 atoms: N C HA CB &rst iat=1195,1204,1198,1199, &end # # chirality for residue 75 atoms: CA CG HB2 HB3 &rst iat=1208,1213,1211,1212, &end # # chirality for residue 75 atoms: CB CD1 CD2 HG &rst iat=1210,1215,1219,1214, &end # # chirality for residue 75 atoms: N C HA CB &rst iat=1206,1223,1209,1210, &end # # chirality for residue 76 atoms: CA CG HB2 HB3 &rst iat=1227,1232,1230,1231, &end # # chirality for residue 76 atoms: CB CD HG2 HG3 &rst iat=1229,1235,1233,1234, &end # # chirality for residue 76 atoms: CD NZ HE2 HE3 &rst iat=1235,1241,1239,1240, &end # # chirality for residue 76 atoms: CG CE HD2 HD3 &rst iat=1232,1238,1236,1237, &end # # chirality for residue 76 atoms: N C HA CB &rst iat=1225,1245,1228,1229, &end # # chirality for residue 77 atoms: CA CG HB2 HB3 &rst iat=1249,1254,1252,1253, &end # # chirality for residue 77 atoms: N C HA CB &rst iat=1247,1257,1250,1251, &end # # chirality for residue 78 atoms: CA CG HB2 HB3 &rst iat=1261,1266,1264,1265, &end # # chirality for residue 78 atoms: CB SD HG2 HG3 &rst iat=1263,1269,1267,1268, &end # # chirality for residue 78 atoms: N C HA CB &rst iat=1259,1274,1262,1263, &end # # chirality for residue 79 atoms: CA CG HB2 HB3 &rst iat=1278,1283,1281,1282, &end # # chirality for residue 79 atoms: N C HA CB &rst iat=1276,1295,1279,1280, &end # # chirality for residue 80 atoms: CA CG1 CG2 HB &rst iat=1299,1303,1307,1302, &end # # chirality for residue 80 atoms: N C HA CB &rst iat=1297,1311,1300,1301, &end # # chirality for residue 81 atoms: CA CG HB2 HB3 &rst iat=1315,1320,1318,1319, &end # # chirality for residue 81 atoms: CB CD HG2 HG3 &rst iat=1317,1323,1321,1322, &end # # chirality for residue 81 atoms: N C HA CB &rst iat=1313,1326,1316,1317, &end # # chirality for residue 82 atoms: CA CG1 CG2 HB &rst iat=1330,1334,1338,1333, &end # # chirality for residue 82 atoms: N C HA CB &rst iat=1328,1342,1331,1332, &end # # chirality for residue 83 atoms: N C HA CB &rst iat=1344,1352,1347,1348, &end # # chirality for residue 84 atoms: CA CG HB2 HB3 &rst iat=1356,1361,1359,1360, &end # # chirality for residue 84 atoms: N C HA CB &rst iat=1354,1364,1357,1358, &end # # chirality for residue 85 atoms: CA CG2 CG1 HB &rst iat=1368,1372,1376,1371, &end # # chirality for residue 85 atoms: CB CD1 HG12 HG13 &rst iat=1370,1379,1377,1378, &end # # chirality for residue 85 atoms: N C HA CB &rst iat=1366,1383,1369,1370, &end # # chirality for residue 86 atoms: N C HA2 HA3 &rst iat=1385,1390,1388,1389, &end # # chirality for residue 87 atoms: N C HA2 HA3 &rst iat=1392,1397,1395,1396, &end # # chirality for residue 88 atoms: CA CG HB2 HB3 &rst iat=1401,1406,1404,1405, &end # # chirality for residue 88 atoms: CB CD HG2 HG3 &rst iat=1403,1409,1407,1408, &end # # chirality for residue 88 atoms: CD NZ HE2 HE3 &rst iat=1409,1415,1413,1414, &end # # chirality for residue 88 atoms: CG CE HD2 HD3 &rst iat=1406,1412,1410,1411, &end # # chirality for residue 88 atoms: N C HA CB &rst iat=1399,1419,1402,1403, &end # # chirality for residue 89 atoms: CA CG HB2 HB3 &rst iat=1423,1428,1426,1427, &end # # chirality for residue 89 atoms: N C HA CB &rst iat=1421,1431,1424,1425, &end # # chirality for residue 90 atoms: CA CG HB2 HB3 &rst iat=1435,1440,1438,1439, &end # # chirality for residue 90 atoms: N C HA CB &rst iat=1433,1443,1436,1437, &end # # chirality for residue 91 atoms: CA CG HB2 HB3 &rst iat=1447,1452,1450,1451, &end # # chirality for residue 91 atoms: N C HA CB &rst iat=1445,1455,1448,1449, &end # # chirality for residue 92 atoms: CA CG1 CG2 HB &rst iat=1459,1463,1467,1462, &end # # chirality for residue 92 atoms: N C HA CB &rst iat=1457,1471,1460,1461, &end # # chirality for residue 93 atoms: CA CG HB2 HB3 &rst iat=1475,1480,1478,1479, &end # # chirality for residue 93 atoms: N C HA CB &rst iat=1473,1492,1476,1477, &end # # chirality for residue 94 atoms: CA CG2 OG1 HB &rst iat=1496,1500,1504,1499, &end # # chirality for residue 94 atoms: N C HA CB &rst iat=1494,1506,1497,1498, &end # # chirality for residue 95 atoms: N C HA CB &rst iat=1508,1516,1511,1512, &end # # chirality for residue 96 atoms: CA CG HB2 HB3 &rst iat=1520,1525,1523,1524, &end # # chirality for residue 96 atoms: CB CD HG2 HG3 &rst iat=1522,1528,1526,1527, &end # # chirality for residue 96 atoms: CD NZ HE2 HE3 &rst iat=1528,1534,1532,1533, &end # # chirality for residue 96 atoms: CG CE HD2 HD3 &rst iat=1525,1531,1529,1530, &end # # chirality for residue 96 atoms: N C HA CB &rst iat=1518,1538,1521,1522, &end # # chirality for residue 97 atoms: CA CG HB2 HB3 &rst iat=1542,1547,1545,1546, &end # # chirality for residue 97 atoms: CB CD1 CD2 HG &rst iat=1544,1549,1553,1548, &end # # chirality for residue 97 atoms: N C HA CB &rst iat=1540,1557,1543,1544, &end # # chirality for residue 98 atoms: CA OG HB2 HB3 &rst iat=1561,1566,1564,1565, &end # # chirality for residue 98 atoms: N C HA CB &rst iat=1559,1568,1562,1563, &end # # chirality for residue 99 atoms: CA CG HB2 HB3 &rst iat=1572,1577,1575,1576, &end # # chirality for residue 99 atoms: N C HA CB &rst iat=1570,1580,1573,1574, &end # # chirality for residue 100 atoms: CA CG2 CG1 HB &rst iat=1584,1588,1592,1587, &end # # chirality for residue 100 atoms: CB CD1 HG12 HG13 &rst iat=1586,1595,1593,1594, &end # # chirality for residue 100 atoms: N C HA CB &rst iat=1582,1599,1585,1586, &end # # chirality for residue 101 atoms: CA CG HB2 HB3 &rst iat=1603,1608,1606,1607, &end # # chirality for residue 101 atoms: CB CD HG2 HG3 &rst iat=1605,1611,1609,1610, &end # # chirality for residue 101 atoms: N C HA CB &rst iat=1601,1614,1604,1605, &end # # chirality for residue 102 atoms: N C HA CB &rst iat=1616,1624,1619,1620, &end # # chirality for residue 103 atoms: CA CG2 CG1 HB &rst iat=1628,1632,1636,1631, &end # # chirality for residue 103 atoms: CB CD1 HG12 HG13 &rst iat=1630,1639,1637,1638, &end # # chirality for residue 103 atoms: N C HA CB &rst iat=1626,1643,1629,1630, &end # # chirality for residue 104 atoms: CA CG HB2 HB3 &rst iat=1647,1652,1650,1651, &end # # chirality for residue 104 atoms: N C HA CB &rst iat=1645,1655,1648,1649, &end # # chirality for residue 105 atoms: CA CG1 CG2 HB &rst iat=1659,1663,1667,1662, &end # # chirality for residue 105 atoms: N C HA CB &rst iat=1657,1671,1660,1661, &end # # chirality for residue 106 atoms: CA CG HB2 HB3 &rst iat=1675,1680,1678,1679, &end # # chirality for residue 106 atoms: N C HA CB &rst iat=1673,1683,1676,1677, &end # # chirality for residue 107 atoms: CA CG HB2 HB3 &rst iat=1687,1692,1690,1691, &end # # chirality for residue 107 atoms: N C HA CB &rst iat=1685,1695,1688,1689, &end # # chirality for residue 108 atoms: CA CG HB2 HB3 &rst iat=1699,1704,1702,1703, &end # # chirality for residue 108 atoms: N C HA CB &rst iat=1697,1707,1700,1701, &end # # chirality for residue 109 atoms: CA CG2 OG1 HB &rst iat=1711,1715,1719,1714, &end # # chirality for residue 109 atoms: N C HA CB &rst iat=1709,1721,1712,1713, &end # # chirality for residue 110 atoms: CA CG HB2 HB3 &rst iat=1725,1730,1728,1729, &end # # chirality for residue 110 atoms: CB CD HG2 HG3 &rst iat=1727,1733,1731,1732, &end # # chirality for residue 110 atoms: N C HA CB &rst iat=1723,1738,1726,1727, &end # # chirality for residue 111 atoms: CA CG HB2 HB3 &rst iat=1742,1747,1745,1746, &end # # chirality for residue 111 atoms: CB CD HG2 HG3 &rst iat=1744,1750,1748,1749, &end # # chirality for residue 111 atoms: N C HA CB &rst iat=1740,1753,1743,1744, &end # # chirality for residue 112 atoms: N C HA CB &rst iat=1755,1763,1758,1759, &end # # chirality for residue 113 atoms: CA CG2 CG1 HB &rst iat=1767,1771,1775,1770, &end # # chirality for residue 113 atoms: CB CD1 HG12 HG13 &rst iat=1769,1778,1776,1777, &end # # chirality for residue 113 atoms: N C HA CB &rst iat=1765,1782,1768,1769, &end # # chirality for residue 114 atoms: N C HA CB &rst iat=1784,1792,1787,1788, &end # # chirality for residue 115 atoms: CA CG HB2 HB3 &rst iat=1796,1801,1799,1800, &end # # chirality for residue 115 atoms: N C HA CB &rst iat=1794,1804,1797,1798, &end # # chirality for residue 116 atoms: CA CG HB2 HB3 &rst iat=1808,1813,1811,1812, &end # # chirality for residue 116 atoms: N C HA CB &rst iat=1806,1828,1809,1810, &end # # chirality for residue 117 atoms: CA CG HB2 HB3 &rst iat=1832,1837,1835,1836, &end # # chirality for residue 117 atoms: CB CD1 CD2 HG &rst iat=1834,1839,1843,1838, &end # # chirality for residue 117 atoms: N C HA CB &rst iat=1830,1847,1833,1834, &end # # chirality for residue 118 atoms: CA CG HB2 HB3 &rst iat=1851,1856,1854,1855, &end # # chirality for residue 118 atoms: N C HA CB &rst iat=1849,1868,1852,1853, &end # # chirality for residue 119 atoms: CA CG HB2 HB3 &rst iat=1872,1877,1875,1876, &end # # chirality for residue 119 atoms: N C HA CB &rst iat=1870,1892,1873,1874, &end # # chirality for residue 120 atoms: CA CG HB2 HB3 &rst iat=1896,1901,1899,1900, &end # # chirality for residue 120 atoms: CB CD1 CD2 HG &rst iat=1898,1903,1907,1902, &end # # chirality for residue 120 atoms: N C HA CB &rst iat=1894,1911,1897,1898, &end # # chirality for residue 121 atoms: N C HA CB &rst iat=1913,1921,1916,1917, &end # # chirality for residue 122 atoms: CA CG HB2 HB3 &rst iat=1925,1930,1928,1929, &end # # chirality for residue 122 atoms: CB CD HG2 HG3 &rst iat=1927,1933,1931,1932, &end # # chirality for residue 122 atoms: CG NE HD2 HD3 &rst iat=1930,1936,1934,1935, &end # # chirality for residue 122 atoms: N C HA CB &rst iat=1923,1945,1926,1927, &end # # chirality for residue 123 atoms: N C HA2 HA3 &rst iat=1947,1952,1950,1951, &end # # chirality for residue 124 atoms: CA CG HB2 HB3 &rst iat=1956,1961,1959,1960, &end # # chirality for residue 124 atoms: N C HA CB &rst iat=1954,1973,1957,1958, &end # # chirality for residue 125 atoms: CA CG HB2 HB3 &rst iat=1977,1982,1980,1981, &end # # chirality for residue 125 atoms: CB CD HG2 HG3 &rst iat=1979,1985,1983,1984, &end # # chirality for residue 125 atoms: CD NZ HE2 HE3 &rst iat=1985,1991,1989,1990, &end # # chirality for residue 125 atoms: CG CE HD2 HD3 &rst iat=1982,1988,1986,1987, &end # # chirality for residue 125 atoms: N C HA CB &rst iat=1975,1995,1978,1979, &end # # chirality for residue 126 atoms: CA CG HB2 HB3 &rst iat=1999,2004,2002,2003, &end # # chirality for residue 126 atoms: N C HA CB &rst iat=1997,2015,2000,2001, &end # # trans-omega constraint for residue 2 &rst iat=22,20,18,5, r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150., &end # # trans-omega constraint for residue 3 &rst iat=32,30,28,22, &end # # trans-omega constraint for residue 4 &rst iat=43,41,39,32, &end # # trans-omega constraint for residue 5 &rst iat=59,57,55,43, &end # # trans-omega constraint for residue 6 &rst iat=74,72,70,59, &end # # trans-omega constraint for residue 7 &rst iat=98,96,94,74, &end # # trans-omega constraint for residue 8 &rst iat=110,108,106,98, &end # # trans-omega constraint for residue 9 &rst iat=125,123,121,110, &end # # trans-omega constraint for residue 10 &rst iat=139,137,135,125, &end # # trans-omega constraint for residue 11 &rst iat=163,161,159,139, &end # # trans-omega constraint for residue 12 &rst iat=178,176,174,163, &end # # trans-omega constraint for residue 13 &rst iat=195,193,191,178, &end # # trans-omega constraint for residue 14 &rst iat=219,217,215,195, &end # # trans-omega constraint for residue 15 &rst iat=238,236,234,219, &end # # trans-omega constraint for residue 16 &rst iat=253,251,249,238, &end # # trans-omega constraint for residue 17 &rst iat=267,265,263,253, &end # # trans-omega constraint for residue 18 &rst iat=282,280,278,267, &end # # trans-omega constraint for residue 19 &rst iat=301,299,297,282, &end # # trans-omega constraint for residue 20 &rst iat=320,318,316,301, &end # # trans-omega constraint for residue 21 &rst iat=336,334,332,320, &end # # trans-omega constraint for residue 22 &rst iat=348,346,344,336, &end # # trans-omega constraint for residue 23 &rst iat=358,356,354,348, &end # # trans-omega constraint for residue 24 &rst iat=373,371,369,358, &end # # trans-omega constraint for residue 25 &rst iat=385,383,381,373, &end # # trans-omega constraint for residue 26 &rst iat=407,405,403,385, &end # # trans-omega constraint for residue 27 &rst iat=422,420,418,407, &end # # trans-omega constraint for residue 28 &rst iat=437,435,433,422, &end # # trans-omega constraint for residue 29 &rst iat=461,459,457,437, &end # # trans-omega constraint for residue 30 &rst iat=471,469,467,461, &end # # trans-omega constraint for residue 31 &rst iat=488,486,484,471, &end # # trans-omega constraint for residue 32 &rst iat=495,493,491,488, &end # # trans-omega constraint for residue 33 &rst iat=519,517,515,495, &end # # trans-omega constraint for residue 34 &rst iat=540,538,536,519, &end # # trans-omega constraint for residue 35 &rst iat=561,559,557,540, &end # # trans-omega constraint for residue 36 &rst iat=582,580,578,561, &end # # trans-omega constraint for residue 37 &rst iat=601,599,597,582, &end # # trans-omega constraint for residue 38 &rst iat=613,611,609,601, &end # # trans-omega constraint for residue 39 &rst iat=625,623,621,613, &end # # trans-omega constraint for residue 40 &rst iat=639,637,635,625, &end # # trans-omega constraint for residue 41 &rst iat=658,656,654,639, &end # # trans-omega constraint for residue 42 &rst iat=673,671,669,658, &end # # cis-omega constraint for residue 43 &rst iat=701,691,689,673, r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150., &end # # trans-omega constraint for residue 44 &rst iat=707,705,703,701, r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150., &end # # trans-omega constraint for residue 45 &rst iat=727,725,723,707, &end # # trans-omega constraint for residue 46 &rst iat=744,742,740,727, &end # # trans-omega constraint for residue 47 &rst iat=751,749,747,744, &end # # trans-omega constraint for residue 48 &rst iat=773,771,769,751, &end # # trans-omega constraint for residue 49 &rst iat=797,795,793,773, &end # # trans-omega constraint for residue 50 &rst iat=819,817,815,797, &end # # trans-omega constraint for residue 51 &rst iat=841,839,837,819, &end # # trans-omega constraint for residue 52 &rst iat=863,861,859,841, &end # # trans-omega constraint for residue 53 &rst iat=874,872,870,863, &end # # trans-omega constraint for residue 54 &rst iat=898,896,894,874, &end # # trans-omega constraint for residue 55 &rst iat=920,918,916,898, &end # # trans-omega constraint for residue 56 &rst iat=934,932,930,920, &end # # trans-omega constraint for residue 57 &rst iat=945,943,941,934, &end # # trans-omega constraint for residue 58 &rst iat=959,957,955,945, &end # # trans-omega constraint for residue 59 &rst iat=978,976,974,959, &end # # trans-omega constraint for residue 60 &rst iat=993,991,989,978, &end # # trans-omega constraint for residue 61 &rst iat=1008,1006,1004,993, &end # # trans-omega constraint for residue 62 &rst iat=1030,1028,1026,1008, &end # # trans-omega constraint for residue 63 &rst iat=1044,1042,1040,1030, &end # # trans-omega constraint for residue 64 &rst iat=1060,1058,1056,1044, &end # # trans-omega constraint for residue 65 &rst iat=1075,1073,1071,1060, &end # # trans-omega constraint for residue 66 &rst iat=1091,1089,1087,1075, &end # # trans-omega constraint for residue 67 &rst iat=1110,1108,1106,1091, &end # # trans-omega constraint for residue 68 &rst iat=1117,1115,1113,1110, &end # # trans-omega constraint for residue 69 &rst iat=1134,1132,1130,1117, &end # # trans-omega constraint for residue 70 &rst iat=1152,1142,1140,1134, &end # # trans-omega constraint for residue 71 &rst iat=1158,1156,1154,1152, &end # # trans-omega constraint for residue 72 &rst iat=1170,1168,1166,1158, &end # # trans-omega constraint for residue 73 &rst iat=1182,1180,1178,1170, &end # # trans-omega constraint for residue 74 &rst iat=1197,1195,1193,1182, &end # # trans-omega constraint for residue 75 &rst iat=1208,1206,1204,1197, &end # # trans-omega constraint for residue 76 &rst iat=1227,1225,1223,1208, &end # # trans-omega constraint for residue 77 &rst iat=1249,1247,1245,1227, &end # # trans-omega constraint for residue 78 &rst iat=1261,1259,1257,1249, &end # # trans-omega constraint for residue 79 &rst iat=1278,1276,1274,1261, &end # # trans-omega constraint for residue 80 &rst iat=1299,1297,1295,1278, &end # # trans-omega constraint for residue 81 &rst iat=1315,1313,1311,1299, &end # # trans-omega constraint for residue 82 &rst iat=1330,1328,1326,1315, &end # # trans-omega constraint for residue 83 &rst iat=1346,1344,1342,1330, &end # # trans-omega constraint for residue 84 &rst iat=1356,1354,1352,1346, &end # # trans-omega constraint for residue 85 &rst iat=1368,1366,1364,1356, &end # # trans-omega constraint for residue 86 &rst iat=1387,1385,1383,1368, &end # # trans-omega constraint for residue 87 &rst iat=1394,1392,1390,1387, &end # # trans-omega constraint for residue 88 &rst iat=1401,1399,1397,1394, &end # # trans-omega constraint for residue 89 &rst iat=1423,1421,1419,1401, &end # # trans-omega constraint for residue 90 &rst iat=1435,1433,1431,1423, &end # # trans-omega constraint for residue 91 &rst iat=1447,1445,1443,1435, &end # # trans-omega constraint for residue 92 &rst iat=1459,1457,1455,1447, &end # # trans-omega constraint for residue 93 &rst iat=1475,1473,1471,1459, &end # # trans-omega constraint for residue 94 &rst iat=1496,1494,1492,1475, &end # # trans-omega constraint for residue 95 &rst iat=1510,1508,1506,1496, &end # # trans-omega constraint for residue 96 &rst iat=1520,1518,1516,1510, &end # # trans-omega constraint for residue 97 &rst iat=1542,1540,1538,1520, &end # # trans-omega constraint for residue 98 &rst iat=1561,1559,1557,1542, &end # # trans-omega constraint for residue 99 &rst iat=1572,1570,1568,1561, &end # # trans-omega constraint for residue 100 &rst iat=1584,1582,1580,1572, &end # # trans-omega constraint for residue 101 &rst iat=1603,1601,1599,1584, &end # # trans-omega constraint for residue 102 &rst iat=1618,1616,1614,1603, &end # # trans-omega constraint for residue 103 &rst iat=1628,1626,1624,1618, &end # # trans-omega constraint for residue 104 &rst iat=1647,1645,1643,1628, &end # # trans-omega constraint for residue 105 &rst iat=1659,1657,1655,1647, &end # # trans-omega constraint for residue 106 &rst iat=1675,1673,1671,1659, &end # # trans-omega constraint for residue 107 &rst iat=1687,1685,1683,1675, &end # # trans-omega constraint for residue 108 &rst iat=1699,1697,1695,1687, &end # # trans-omega constraint for residue 109 &rst iat=1711,1709,1707,1699, &end # # trans-omega constraint for residue 110 &rst iat=1725,1723,1721,1711, &end # # trans-omega constraint for residue 111 &rst iat=1742,1740,1738,1725, &end # # trans-omega constraint for residue 112 &rst iat=1757,1755,1753,1742, &end # # trans-omega constraint for residue 113 &rst iat=1767,1765,1763,1757, &end # # trans-omega constraint for residue 114 &rst iat=1786,1784,1782,1767, &end # # trans-omega constraint for residue 115 &rst iat=1796,1794,1792,1786, &end # # trans-omega constraint for residue 116 &rst iat=1808,1806,1804,1796, &end # # trans-omega constraint for residue 117 &rst iat=1832,1830,1828,1808, &end # # trans-omega constraint for residue 118 &rst iat=1851,1849,1847,1832, &end # # trans-omega constraint for residue 119 &rst iat=1872,1870,1868,1851, &end # # trans-omega constraint for residue 120 &rst iat=1896,1894,1892,1872, &end # # trans-omega constraint for residue 121 &rst iat=1915,1913,1911,1896, &end # # trans-omega constraint for residue 122 &rst iat=1925,1923,1921,1915, &end # # trans-omega constraint for residue 123 &rst iat=1949,1947,1945,1925, &end # # trans-omega constraint for residue 124 &rst iat=1956,1954,1952,1949, &end # # trans-omega constraint for residue 125 &rst iat=1977,1975,1973,1956, &end # # trans-omega constraint for residue 126 &rst iat=1999,1997,1995,1977, &end #
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