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 | subtype | subsubtype |
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489270 |
2kve   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # 105 THR H 105 THR QG2 3.87 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, rk2=20.0, rk3=20.0, ir6=1, ialtd=0, igr2= 189, 190, 191, &end # # 105 THR H 106 VAL HB 4.86 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 183, 201, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 123 TRP HB2 124 GLY H 4.21 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 513, 533, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 123 TRP HB3 124 GLY H 4.71 (#SUP 0.99 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 514, 533, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 123 TRP H 124 GLY H 3.20 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 509, 533, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 103 LEU H 104 SER H 3.46 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 153, 172, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 104 SER H 105 THR H 3.35 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 172, 183, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 112 ARG H 115 GLU H 4.48 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 307, 369, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 126 THR H 126 THR HB 4.05 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 126 THR H 126 THR QG2 3.80 (#SUP 0.62 #QF 0.62) &rst ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 561, 562, 563, &end # # 125 GLU HA 126 THR H 3.31 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= 542, 555, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 130 CYS H 130 CYS QB 3.46 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 612, 613, &end # # 130 CYS H 131 ALA H 5.10 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= 608, 618, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end # # 131 ALA H 132 GLU H 4.23 (#SUP 0.77 #QF 0.77) &rst ixpk= 0, nxpk= 0, iat= 618, 628, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 131 ALA H 135 ASP QB 5.26 (#SUP 0.67 #QF 0.67) &rst ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 680, 681, &end # # 131 ALA H 131 ALA QB 4.00 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 618, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 622, 623, 624, &end # # 132 GLU H 135 ASP QB 3.51 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 680, 681, &end # # 132 GLU H 132 GLU HB2 3.32 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 628, 632, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 131 ALA QB 132 GLU H 3.62 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= -1, 628, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1= 622, 623, 624, &end # # 134 SER H 134 SER QB 3.55 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 669, 670, &end # # 132 GLU HB3 134 SER H 4.18 (#SUP 0.64 #QF 0.64) &rst ixpk= 0, nxpk= 0, iat= 633, 665, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 133 LYS QB 134 SER H 3.78 (#SUP 0.78 #QF 0.28) &rst ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr1= 647, 648, &end # # 134 SER H 137 ILE HB 5.50 (#SUP 0.82 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= 665, 713, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 133 LYS QG 134 SER H 5.06 (#SUP 0.50 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 650, 651, &end # # 134 SER H 135 ASP H 3.86 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 665, 676, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 132 GLU H 135 ASP H 4.29 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 628, 676, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 135 ASP H 136 TYR QD 5.20 (#SUP 0.81 #QF 0.81) &rst ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 696, 705, &end # # 136 TYR H 137 ILE H 3.17 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 688, 709, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 136 TYR H 136 TYR QD 3.37 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 688, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 696, 705, &end # # 135 ASP H 136 TYR H 3.19 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 676, 688, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 136 TYR H 136 TYR HB2 3.20 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end # # 135 ASP QB 136 TYR H 3.37 (#SUP 0.65 #QF 0.65) &rst ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 680, 681, &end # # 136 TYR H 136 TYR HB3 3.68 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 688, 693, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 133 LYS QD 136 TYR H 4.84 (#SUP 0.52 #QF 0.52) &rst ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 653, 654, &end # # 133 LYS HA 136 TYR H 3.96 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 645, 688, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 139 LYS H 140 ILE H 3.66 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 752, 774, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 143 LEU H 144 MET H 3.10 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 822, 841, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 142 GLU H 143 LEU H 3.16 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 807, 822, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 147 TYR H 148 ALA H 3.21 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 894, 915, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 146 LYS H 148 ALA H 4.53 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 872, 915, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 150 LYS H 151 ALA H 4.61 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 939, 961, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 154 ALA H 154 ALA QB 4.12 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 996, 997, 998, &end # # 158 LEU H 158 LEU QB 3.33 (#SUP 0.51 #QF 0.51) &rst ixpk= 0, nxpk= 0, iat=1052, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2=1056,1057, &end # # 157 ASP H 158 LEU H 3.87 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat=1040,1052, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 157 ASP QB 158 LEU H 4.56 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= -1,1052, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1044,1045, &end # # 157 ASP H 157 ASP QB 3.83 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat=1040, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2=1044,1045, &end # # 156 THR H 156 THR QG2 5.03 (#SUP 0.38 #QF 0.38) &rst ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr2=1032,1033,1034, &end # # 155 ARG H 155 ARG QG 4.38 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1009,1010, &end # # 154 ALA QB 155 ARG H 4.74 (#SUP 0.57 #QF 0.57) &rst ixpk= 0, nxpk= 0, iat= -1,1002, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 996, 997, 998, &end # # 153 SER H 153 SER QB 4.08 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 981, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 985, 986, &end # # 152 ALA QB 153 SER H 4.67 (#SUP 0.43 #QF 0.43) &rst ixpk= 0, nxpk= 0, iat= -1, 981, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 975, 976, 977, &end # # 152 ALA H 152 ALA QB 3.61 (#SUP 0.64 #QF 0.64) &rst ixpk= 0, nxpk= 0, iat= 971, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 975, 976, 977, &end # # 151 ALA QB 152 ALA H 3.75 (#SUP 0.50 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= -1, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 965, 966, 967, &end # # 151 ALA H 152 ALA H 4.50 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 961, 971, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 150 LYS HA 151 ALA H 3.51 (#SUP 0.96 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 941, 961, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 150 LYS QB 151 ALA H 4.04 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 943, 944, &end # # 151 ALA H 151 ALA QB 3.39 (#SUP 0.79 #QF 0.79) &rst ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 965, 966, 967, &end # # 149 PRO QG 150 LYS H 4.24 (#SUP 0.41 #QF 0.41) &rst ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 929, 930, &end # # 150 LYS H 150 LYS QB 3.58 (#SUP 0.82 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 943, 944, &end # # 150 LYS H 150 LYS QG 4.25 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 939, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 946, 947, &end # # 145 PRO HA 148 ALA H 3.86 (#SUP 0.68 #QF 0.68) &rst ixpk= 0, nxpk= 0, iat= 868, 915, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 146 LYS HA 148 ALA H 5.29 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 874, 915, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 147 TYR HB2 148 ALA H 4.31 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 898, 915, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 148 ALA H 148 ALA QB 3.27 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 919, 920, 921, &end # # 147 TYR HB3 148 ALA H 4.31 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 899, 915, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 146 LYS H 147 TYR H 3.27 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 872, 894, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 147 TYR H 147 TYR QD 3.93 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 902, 911, &end # # 145 PRO HD2 147 TYR H 4.93 (#SUP 0.55 #QF 0.55) &rst ixpk= 0, nxpk= 0, iat= 859, 894, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 147 TYR H 147 TYR HB2 3.93 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 894, 898, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 147 TYR H 147 TYR HB3 3.93 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 894, 899, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 145 PRO HD3 146 LYS H 4.29 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 860, 872, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 145 PRO HD2 146 LYS H 3.88 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 859, 872, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 145 PRO HB2 146 LYS H 4.67 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 145 PRO HG2 146 LYS H 4.78 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 862, 872, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 145 PRO HG3 146 LYS H 4.75 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 863, 872, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 145 PRO HB3 146 LYS H 4.67 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 866, 872, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 146 LYS H 146 LYS HB2 3.44 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 146 LYS H 146 LYS HB3 3.44 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 872, 877, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end # # 146 LYS H 146 LYS HG2 4.97 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 872, 879, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 146 LYS H 146 LYS HG3 4.97 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 872, 880, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 143 LEU HA 146 LYS H 4.59 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 824, 872, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 144 MET H 146 LYS H 5.02 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 841, 872, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 123 TRP HH2 144 MET H 4.55 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 524, 841, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end # # 144 MET H 145 PRO HD3 3.50 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 841, 860, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 144 MET H 145 PRO HD2 3.66 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 841, 859, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 141 ASN HA 144 MET H 4.02 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 795, 841, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 144 MET H 144 MET HG2 4.28 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 841, 848, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 144 MET H 144 MET HB2 3.21 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 841, 845, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 144 MET H 144 MET HB3 3.21 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 841, 846, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 143 LEU HG 144 MET H 4.75 (#SUP 0.91 #QF 0.30) &rst ixpk= 0, nxpk= 0, iat= 829, 841, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end # # 144 MET H 145 PRO HG2 5.00 (#SUP 0.91 #QF 0.30) &rst ixpk= 0, nxpk= 0, iat= 841, 862, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 144 MET H 145 PRO HG3 4.92 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 841, 863, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 143 LEU HB2 144 MET H 4.34 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 826, 841, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 140 ILE QG2 144 MET H 4.28 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= -1, 841, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 780, 781, 782, &end # # 141 ASN H 143 LEU H 4.76 (#SUP 0.58 #QF 0.58) &rst ixpk= 0, nxpk= 0, iat= 793, 822, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 123 TRP HH2 143 LEU H 5.50 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= 524, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 140 ILE HA 143 LEU H 4.03 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 776, 822, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 143 LEU H 143 LEU HB3 3.81 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 143 LEU H 143 LEU HG 3.19 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 143 LEU H 143 LEU HB2 3.61 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end # # 143 LEU H 143 LEU QD1 4.25 (#SUP 0.83 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2= 831, 832, 833, &end # # 143 LEU H 143 LEU QD2 4.39 (#SUP 0.83 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= 822, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr2= 835, 836, 837, &end # # 141 ASN H 142 GLU H 3.24 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 793, 807, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 142 GLU H 144 MET H 4.33 (#SUP 0.33 #QF 0.33) &rst ixpk= 0, nxpk= 0, iat= 807, 841, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 139 LYS HA 142 GLU H 3.76 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 754, 807, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 141 ASN HB2 142 GLU H 4.13 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 797, 807, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 141 ASN HB3 142 GLU H 4.13 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 798, 807, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 142 GLU H 142 GLU HG2 4.72 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 807, 814, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 142 GLU H 143 LEU HG 4.29 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 807, 829, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 140 ILE HB 142 GLU H 4.87 (#SUP 0.27 #QF 0.27) &rst ixpk= 0, nxpk= 0, iat= 778, 807, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 142 GLU H 143 LEU HB2 5.12 (#SUP 0.63 #QF 0.63) &rst ixpk= 0, nxpk= 0, iat= 807, 826, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 142 GLU H 143 LEU QD2 4.90 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 835, 836, 837, &end # # 141 ASN H 141 ASN HD21 4.60 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 793, 802, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 141 ASN H 141 ASN HD22 4.60 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 793, 803, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 139 LYS HA 141 ASN H 4.87 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 754, 793, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 138 ARG HA 141 ASN H 4.07 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 730, 793, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 137 ILE HA 141 ASN H 4.64 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 711, 793, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 141 ASN H 141 ASN HB2 3.70 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 793, 797, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 141 ASN H 141 ASN HB3 3.70 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 793, 798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 140 ILE HB 141 ASN H 3.46 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 778, 793, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 140 ILE QG2 141 ASN H 3.91 (#SUP 0.74 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 780, 781, 782, &end # # 137 ILE QG2 141 ASN H 4.69 (#SUP 0.96 #QF 0.46) &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 715, 716, 717, &end # # 140 ILE QD1 141 ASN H 5.01 (#SUP 0.96 #QF 0.46) &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52, igr1= 787, 788, 789, &end # # 139 LYS H 141 ASN H 4.89 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 752, 793, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 138 ARG H 141 ASN H 5.47 (#SUP 0.96 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 728, 793, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 138 ARG HA 141 ASN HD22 5.19 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 730, 803, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 140 ILE H 143 LEU H 5.50 (#SUP 0.98 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 774, 822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 136 TYR HA 140 ILE H 4.69 (#SUP 0.75 #QF 0.65) &rst ixpk= 0, nxpk= 0, iat= 690, 774, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 138 ARG HA 140 ILE H 5.40 (#SUP 0.75 #QF 0.65) &rst ixpk= 0, nxpk= 0, iat= 730, 774, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, &end # # 137 ILE HA 140 ILE H 4.34 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 711, 774, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 139 LYS HB2 140 ILE H 4.17 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 756, 774, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 140 ILE H 140 ILE HB 3.04 (#SUP 0.93 #QF 0.42) &rst ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 140 ILE H 140 ILE HG13 3.31 (#SUP 0.93 #QF 0.42) &rst ixpk= 0, nxpk= 0, iat= 774, 785, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 139 LYS QG 140 ILE H 4.31 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 759, 760, &end # # 140 ILE H 140 ILE QG2 3.87 (#SUP 0.49 #QF 0.49) &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 780, 781, 782, &end # # 140 ILE H 140 ILE QD1 3.73 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr2= 787, 788, 789, &end # # 140 ILE H 140 ILE HG12 4.18 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 774, 784, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 136 TYR HA 139 LYS H 4.80 (#SUP 0.99 #QF 0.64) &rst ixpk= 0, nxpk= 0, iat= 690, 752, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 138 ARG HB3 139 LYS H 4.43 (#SUP 0.97 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 733, 752, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 139 LYS H 139 LYS QG 4.77 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 759, 760, &end # # 138 ARG H 140 ILE H 4.63 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 728, 774, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 138 ARG H 139 LYS H 3.68 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 728, 752, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 135 ASP HA 138 ARG H 4.25 (#SUP 0.57 #QF 0.57) &rst ixpk= 0, nxpk= 0, iat= 678, 728, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 138 ARG H 138 ARG HB2 3.74 (#SUP 0.71 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= 728, 732, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 137 ILE HB 138 ARG H 3.30 (#SUP 0.60 #QF 0.60) &rst ixpk= 0, nxpk= 0, iat= 713, 728, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 137 ILE QG2 138 ARG H 4.03 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= -1, 728, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 715, 716, 717, &end # # 137 ILE H 138 ARG H 3.43 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 709, 728, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 135 ASP H 137 ILE H 4.86 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 676, 709, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 136 TYR QD 137 ILE H 4.69 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 696, 705, &end # # 134 SER HA 137 ILE H 3.83 (#SUP 0.56 #QF 0.56) &rst ixpk= 0, nxpk= 0, iat= 667, 709, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 136 TYR HB2 137 ILE H 3.59 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 692, 709, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end # # 136 TYR HB3 137 ILE H 3.98 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 693, 709, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 108 LEU HB3 137 ILE H 5.39 (#SUP 0.35 #QF 0.35) &rst ixpk= 0, nxpk= 0, iat= 230, 709, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 137 ILE H 137 ILE QD1 3.70 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 722, 723, 724, &end # # 137 ILE H 137 ILE QG2 3.88 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 715, 716, 717, &end # # 134 SER H 136 TYR H 5.00 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 665, 688, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 134 SER QB 135 ASP H 3.85 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= -1, 676, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 669, 670, &end # # 135 ASP H 136 TYR HB2 5.00 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 676, 692, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 135 ASP H 135 ASP QB 3.20 (#SUP 0.78 #QF 0.78) &rst ixpk= 0, nxpk= 0, iat= 676, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2= 680, 681, &end # # 132 GLU HB3 135 ASP H 4.14 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 633, 676, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 132 GLU HB2 135 ASP H 3.75 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 632, 676, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 132 GLU H 136 TYR H 4.79 (#SUP 0.48 #QF 0.48) &rst ixpk= 0, nxpk= 0, iat= 628, 688, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 123 TRP H 125 GLU H 5.06 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 509, 540, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 121 ASP HA 125 GLU H 4.32 (#SUP 0.42 #QF 0.42) &rst ixpk= 0, nxpk= 0, iat= 487, 540, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 123 TRP HB2 125 GLU H 4.19 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 513, 540, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end # # 125 GLU H 125 GLU HB2 4.05 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= 540, 544, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 125 GLU H 125 GLU HB3 4.05 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 120 LEU HA 125 GLU H 4.59 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 468, 540, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 123 TRP HE1 148 ALA QB 4.55 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2= 919, 920, 921, &end # # 122 ASP H 123 TRP H 3.42 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 497, 509, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 121 ASP H 123 TRP H 4.65 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 485, 509, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 123 TRP H 123 TRP HE3 4.57 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 509, 528, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 123 TRP H 123 TRP HD1 4.31 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 120 LEU HA 123 TRP H 3.99 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 468, 509, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 123 TRP H 123 TRP HB2 3.18 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 509, 513, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 122 ASP HB2 123 TRP H 4.07 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 501, 509, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 122 ASP HB3 123 TRP H 4.07 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 502, 509, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 123 TRP H 123 TRP HB3 3.68 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 509, 514, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 121 ASP H 122 ASP H 3.68 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 485, 497, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 118 LYS HA 122 ASP H 4.73 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 427, 497, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 119 ILE HA 122 ASP H 4.70 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 449, 497, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 122 ASP H 122 ASP HB2 3.93 (#SUP 0.82 #QF 0.23) &rst ixpk= 0, nxpk= 0, iat= 497, 501, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 122 ASP H 122 ASP HB3 3.93 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 497, 502, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 118 LYS HA 121 ASP H 4.06 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 427, 485, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 121 ASP H 121 ASP HB2 3.84 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 485, 489, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 121 ASP H 121 ASP HB3 3.84 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 485, 490, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 120 LEU HB2 121 ASP H 4.05 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 470, 485, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 119 ILE HB 121 ASP H 5.50 (#SUP 0.96 #QF 0.51) &rst ixpk= 0, nxpk= 0, iat= 451, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 120 LEU HG 121 ASP H 5.50 (#SUP 0.96 #QF 0.51) &rst ixpk= 0, nxpk= 0, iat= 473, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 120 LEU HB3 121 ASP H 4.05 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 471, 485, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 120 LEU H 121 ASP H 3.48 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 466, 485, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 120 LEU H 122 ASP H 4.95 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 466, 497, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 120 LEU H 121 ASP HA 5.44 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 466, 487, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end # # 118 LYS HA 120 LEU H 4.84 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 427, 466, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 120 LEU H 120 LEU HB2 3.70 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 118 LYS QB 120 LEU H 4.76 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 429, 430, &end # # 119 ILE HB 120 LEU H 3.18 (#SUP 0.85 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 451, 466, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 120 LEU H 120 LEU HG 3.49 (#SUP 0.85 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 466, 473, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 120 LEU H 120 LEU HB3 3.70 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 120 LEU H 120 LEU QD1 4.09 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 475, 476, 477, &end # # 120 LEU H 120 LEU QD2 4.09 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 479, 480, 481, &end # # 119 ILE QG2 120 LEU H 4.07 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 453, 454, 455, &end # # 119 ILE H 120 LEU H 3.26 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 116 LEU HA 119 ILE H 3.87 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 386, 447, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 119 ILE H 119 ILE HB 3.07 (#SUP 0.79 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 447, 451, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 119 ILE H 119 ILE HG12 3.34 (#SUP 0.79 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 447, 457, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 119 ILE H 119 ILE HG13 3.34 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 447, 458, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 119 ILE H 119 ILE QG2 3.94 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2= 453, 454, 455, &end # # 117 LYS HB3 118 LYS H 3.98 (#SUP 0.82 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= 408, 425, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 117 LYS HB2 118 LYS H 3.98 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 407, 425, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end # # 114 LYS HA 118 LYS H 5.06 (#SUP 0.97 #QF 0.60) &rst ixpk= 0, nxpk= 0, iat= 349, 425, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 116 LEU HA 118 LYS H 5.36 (#SUP 0.97 #QF 0.60) &rst ixpk= 0, nxpk= 0, iat= 386, 425, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 118 LYS H 120 LEU H 4.77 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 425, 466, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 116 LEU H 118 LYS H 4.48 (#SUP 0.78 #QF 0.78) &rst ixpk= 0, nxpk= 0, iat= 384, 425, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 117 LYS H 118 LYS H 3.34 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 403, 425, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end # # 116 LEU H 117 LYS H 3.36 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 384, 403, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 114 LYS HA 117 LYS H 4.10 (#SUP 0.99 #QF 0.40) &rst ixpk= 0, nxpk= 0, iat= 349, 403, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 113 VAL HA 117 LYS H 4.52 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 333, 403, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 116 LEU HB2 117 LYS H 3.00 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= 388, 403, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 117 LYS H 117 LYS HB3 3.84 (#SUP 0.99 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 403, 408, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 117 LYS H 117 LYS HG2 3.85 (#SUP 0.99 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 117 LYS H 117 LYS HG3 3.85 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 403, 411, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 116 LEU HB3 117 LYS H 3.91 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 389, 403, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end # # 116 LEU QD1 117 LYS H 5.19 (#SUP 0.93 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 393, 394, 395, &end # # 116 LEU QD2 117 LYS H 5.19 (#SUP 0.93 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 397, 398, 399, &end # # 113 VAL QG2 117 LYS H 5.50 (#SUP 0.93 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 341, 342, 343, &end # # 113 VAL QG1 117 LYS H 5.50 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 337, 338, 339, &end # # 115 GLU H 116 LEU H 3.04 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 369, 384, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 116 LEU H 116 LEU QD1 4.19 (#SUP 0.95 #QF 0.60) &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 393, 394, 395, &end # # 116 LEU H 116 LEU QD2 4.19 (#SUP 0.95 #QF 0.60) &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 397, 398, 399, &end # # 116 LEU H 116 LEU HB3 3.87 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 384, 389, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 116 LEU H 116 LEU HB2 2.95 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 384, 388, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end # # 115 GLU HB3 116 LEU H 4.02 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 374, 384, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 115 GLU HB2 116 LEU H 4.02 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 373, 384, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 113 VAL HA 116 LEU H 3.77 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 333, 384, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 114 LYS H 115 GLU H 3.67 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 347, 369, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 115 GLU H 115 GLU HB2 3.67 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 369, 373, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 115 GLU H 115 GLU HG3 4.25 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 369, 377, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 115 GLU H 115 GLU HB3 3.67 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 369, 374, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 113 VAL HB 114 LYS H 4.02 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 335, 347, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 114 LYS H 114 LYS HB2 3.69 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 347, 351, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 114 LYS H 114 LYS HB3 3.69 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 347, 352, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 114 LYS H 114 LYS QG 4.29 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2= 354, 355, &end # # 113 VAL QG1 114 LYS H 4.66 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 337, 338, 339, &end # # 113 VAL QG2 114 LYS H 4.66 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 341, 342, 343, &end # # 113 VAL H 114 LYS H 4.88 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 331, 347, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 114 LYS H 116 LEU H 5.12 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 347, 384, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 111 LEU HA 112 ARG H 2.88 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 290, 307, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end # # 112 ARG H 112 ARG QD 4.76 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2= 317, 318, &end # # 112 ARG H 112 ARG QG 3.26 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2= 314, 315, &end # # 112 ARG H 112 ARG HB3 3.75 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 307, 312, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 112 ARG H 112 ARG HB2 3.75 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 307, 311, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 111 LEU H 111 LEU QD1 4.89 (#SUP 1.00 #QF 0.98) &rst ixpk= 1, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 297, 298, 299, &end # # 111 LEU H 111 LEU HB3 3.67 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 111 LEU H 111 LEU HB2 3.67 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end # # 108 LEU HA 111 LEU H 4.15 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 227, 288, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end # # 109 LYS H 111 LEU H 4.62 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 244, 288, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end # # 111 LEU H 112 ARG H 4.74 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 288, 307, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 109 LYS H 110 LYS H 3.10 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 244, 266, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 110 LYS H 111 LEU H 3.03 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 108 LEU H 110 LYS H 4.60 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 225, 266, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 110 LYS H 110 LYS HB2 3.64 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 266, 270, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 110 LYS H 110 LYS HB3 3.64 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 109 LYS QG 110 LYS H 4.41 (#SUP 0.91 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 251, 252, &end # # 110 LYS H 110 LYS HG2 4.89 (#SUP 0.91 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= 266, 273, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 110 LYS H 110 LYS HG3 4.89 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 266, 274, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 109 LYS H 137 ILE QD1 4.11 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr2= 722, 723, 724, &end # # 109 LYS H 109 LYS QG 3.23 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 251, 252, &end # # 108 LEU HB2 109 LYS H 3.19 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= 229, 244, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 109 LYS H 109 LYS QE 5.04 (#SUP 0.51 #QF 0.51) &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 257, 258, &end # # 108 LEU H 109 LYS H 3.32 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 225, 244, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end # # 107 ASP HB2 108 LEU H 4.95 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 217, 225, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 107 ASP HB3 108 LEU H 4.95 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 218, 225, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 108 LEU H 108 LEU HB2 2.96 (#SUP 0.74 #QF 0.67) &rst ixpk= 0, nxpk= 0, iat= 225, 229, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 108 LEU H 108 LEU HG 3.42 (#SUP 0.74 #QF 0.67) &rst ixpk= 0, nxpk= 0, iat= 225, 232, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 108 LEU H 108 LEU HB3 3.80 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 225, 230, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 108 LEU H 108 LEU QD2 4.07 (#SUP 0.81 #QF 0.81) &rst ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 238, 239, 240, &end # # 106 VAL HA 107 ASP H 3.28 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end # # 107 ASP H 107 ASP HB2 4.02 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 107 ASP H 107 ASP HB3 4.02 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 106 VAL HB 107 ASP H 4.88 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= 201, 213, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 106 VAL QG2 107 ASP H 4.33 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 207, 208, 209, &end # # 106 VAL QG1 107 ASP H 4.52 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 203, 204, 205, &end # # 104 SER H 106 VAL H 4.41 (#SUP 0.78 #QF 0.78) &rst ixpk= 0, nxpk= 0, iat= 172, 197, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 106 VAL H 107 ASP H 4.83 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 197, 213, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, &end # # 105 THR HB 106 VAL H 4.63 (#SUP 0.29 #QF 0.29) &rst ixpk= 0, nxpk= 0, iat= 187, 197, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 103 LEU HA 106 VAL H 3.83 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 155, 197, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 106 VAL H 106 VAL HB 2.85 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 197, 201, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 106 VAL H 106 VAL QG1 3.23 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 203, 204, 205, &end # # 106 VAL H 106 VAL QG2 3.78 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 197, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 207, 208, 209, &end # # 105 THR H 106 VAL QG2 5.45 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 207, 208, 209, &end # # 105 THR H 106 VAL QG1 4.73 (#SUP 0.67 #QF 0.67) &rst ixpk= 0, nxpk= 0, iat= 183, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 203, 204, 205, &end # # 103 LEU HB2 104 SER H 4.61 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 157, 172, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 103 LEU HB3 104 SER H 4.61 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 158, 172, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 102 ASP HB2 103 LEU H 4.90 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 145, 153, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 102 ASP HB3 103 LEU H 4.90 (#SUP 0.79 #QF 0.79) &rst ixpk= 0, nxpk= 0, iat= 146, 153, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 103 LEU H 106 VAL QG1 4.49 (#SUP 0.73 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 203, 204, 205, &end # # 101 ILE QG2 102 ASP H 4.33 (#SUP 0.81 #QF 0.66) &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1= 128, 129, 130, &end # # 101 ILE QD1 102 ASP H 4.64 (#SUP 0.81 #QF 0.66) &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 135, 136, 137, &end # # 101 ILE HG12 102 ASP H 5.03 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 132, 141, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 101 ILE HB 102 ASP H 4.36 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 126, 141, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 101 ILE HG13 102 ASP H 5.03 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 133, 141, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 102 ASP H 102 ASP HB3 3.79 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 141, 146, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 102 ASP H 102 ASP HB2 3.79 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 141, 145, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end # # 101 ILE HA 102 ASP H 3.04 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 124, 141, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 102 ASP H 103 LEU H 5.15 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 141, 153, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 100 GLN HA 101 ILE H 2.97 (#SUP 0.64 #QF 0.64) &rst ixpk= 0, nxpk= 0, iat= 107, 122, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 101 ILE H 101 ILE HB 3.37 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 122, 126, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end # # 101 ILE H 101 ILE HG12 4.77 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 122, 132, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 101 ILE H 101 ILE HG13 4.77 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 122, 133, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 101 ILE H 101 ILE QG2 3.87 (#SUP 0.81 #QF 0.81) &rst ixpk= 0, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 128, 129, 130, &end # # 100 GLN H 100 GLN QG 4.52 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 112, 113, &end # # 99 LYS H 99 LYS QG 4.52 (#SUP 0.72 #QF 0.72) &rst ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 90, 91, &end # # 98 ASP H 98 ASP QB 4.18 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 71, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 75, 76, &end # # 127 CYS QB 130 CYS H 5.23 (#SUP 0.68 #QF 0.68) &rst ixpk= 0, nxpk= 0, iat= -1, 608, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 573, 574, &end # # 103 LEU H 105 THR H 5.31 (#SUP 0.25 #QF 0.25) &rst ixpk= 0, nxpk= 0, iat= 153, 183, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end # # 107 ASP H 108 LEU H 5.08 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 213, 225, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 156 THR H 157 ASP H 4.59 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat=1026,1040, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end # # 148 ALA H 149 PRO HD3 4.79 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 915, 927, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 148 ALA H 149 PRO HD2 4.79 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 915, 926, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 144 MET HG3 148 ALA H 5.01 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 849, 915, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 119 ILE HB 119 ILE QD1 3.36 (#SUP 0.90 #QF 0.42) &rst ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 460, 461, 462, &end # # 119 ILE QG2 140 ILE QG2 3.78 (#SUP 0.82 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 453, 454, 455, igr2= 780, 781, 782, &end # # 103 LEU QD2 119 ILE QG2 4.59 (#SUP 0.76 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 166, 167, 168, igr2= 453, 454, 455, &end # # 103 LEU HB2 103 LEU QD2 3.79 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 166, 167, 168, &end # # 103 LEU HA 103 LEU QD2 4.27 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 166, 167, 168, &end # # 158 LEU HA 158 LEU HG 3.70 (#SUP 0.99 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 155 ARG HA 155 ARG QG 3.66 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2=1009,1010, &end # # 145 PRO HG3 152 ALA QB 4.16 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 863, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 975, 976, 977, &end # # 144 MET HG2 152 ALA QB 3.95 (#SUP 0.52 #QF 0.52) &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 975, 976, 977, &end # # 150 LYS QB 151 ALA HA 5.11 (#SUP 0.24 #QF 0.24) &rst ixpk= 0, nxpk= 0, iat= -1, 963, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr1= 943, 944, &end # # 150 LYS QB 151 ALA QB 3.80 (#SUP 0.50 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 943, 944, igr2= 965, 966, 967, &end # # 110 LYS HA 110 LYS QD 4.34 (#SUP 0.79 #QF 0.79) &rst ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 276, 277, &end # # 110 LYS QD 110 LYS QE 2.96 (#SUP 0.92 #QF 0.55) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, igr1= 276, 277, igr2= 279, 280, &end # # 150 LYS QG 150 LYS QD 2.93 (#SUP 0.80 #QF 0.56) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1= 946, 947, igr2= 949, 950, &end # # 117 LYS H 117 LYS HB2 3.84 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 403, 407, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 133 LYS H 133 LYS QB 4.17 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 647, 648, &end # # 132 GLU HB3 133 LYS H 4.69 (#SUP 0.99 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 633, 643, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 133 LYS QB 134 SER QB 4.02 (#SUP 0.30 #QF 0.30) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 647, 648, igr2= 669, 670, &end # # 125 GLU HB3 143 LEU QD1 4.16 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 545, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 831, 832, 833, &end # # 125 GLU HB2 143 LEU QD1 4.16 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 831, 832, 833, &end # # 144 MET HG2 148 ALA QB 4.34 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2= 919, 920, 921, &end # # 140 ILE QG2 144 MET HG2 4.76 (#SUP 0.55 #QF 0.55) &rst ixpk= 0, nxpk= 0, iat= -1, 848, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 780, 781, 782, &end # # 140 ILE QG2 144 MET HG3 4.50 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 780, 781, 782, &end # # 144 MET HA 144 MET HG2 4.04 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 843, 848, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 150 LYS HA 151 ALA QB 4.33 (#SUP 0.36 #QF 0.36) &rst ixpk= 0, nxpk= 0, iat= 941, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 965, 966, 967, &end # # 139 LYS HA 139 LYS HD3 3.88 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 754, 763, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 139 LYS HB3 140 ILE H 4.17 (#SUP 0.87 #QF 0.54) &rst ixpk= 0, nxpk= 0, iat= 757, 774, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 123 TRP HH2 140 ILE HG12 4.94 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 524, 784, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 123 TRP HE3 140 ILE HG13 5.50 (#SUP 0.69 #QF 0.36) &rst ixpk= 0, nxpk= 0, iat= 528, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 112 ARG HB3 115 GLU H 5.05 (#SUP 0.82 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= 312, 369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 119 ILE HB 140 ILE HG12 4.25 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 451, 784, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 119 ILE QG2 140 ILE HG12 4.45 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 453, 454, 455, &end # # 119 ILE QG2 140 ILE HG13 4.82 (#SUP 0.79 #QF 0.79) &rst ixpk= 0, nxpk= 0, iat= -1, 785, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 453, 454, 455, &end # # 112 ARG HB2 112 ARG QD 4.22 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 317, 318, &end # # 112 ARG HB3 112 ARG QD 4.22 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 317, 318, &end # # 112 ARG HB2 115 GLU H 5.05 (#SUP 0.76 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 311, 369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 141 ASN HA 144 MET HB2 4.93 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 795, 845, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 144 MET HG3 148 ALA QB 3.63 (#SUP 0.76 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 919, 920, 921, &end # # 103 LEU QD2 148 ALA QB 4.77 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, igr1= 166, 167, 168, igr2= 919, 920, 921, &end # # 119 ILE HA 119 ILE HG12 3.90 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 449, 457, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 119 ILE QG2 119 ILE HG12 4.15 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 453, 454, 455, &end # # 119 ILE QG2 119 ILE HG13 4.15 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 453, 454, 455, &end # # 148 ALA QB 149 PRO HD3 4.38 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, 927, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 919, 920, 921, &end # # 148 ALA QB 149 PRO HD2 4.38 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= -1, 926, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 919, 920, 921, &end # # 123 TRP HZ2 147 TYR HB3 5.50 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 522, 899, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 TRP HZ2 147 TYR HB2 5.50 (#SUP 0.61 #QF 0.61) &rst ixpk= 0, nxpk= 0, iat= 522, 898, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 147 TYR HA 147 TYR QD 3.58 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 902, 911, &end # # 146 LYS HG2 146 LYS QE 3.92 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 885, 886, &end # # 146 LYS HG3 146 LYS QE 3.92 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 885, 886, &end # # 146 LYS HB2 147 TYR QD 5.25 (#SUP 0.73 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 876, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2= 902, 911, &end # # 146 LYS HB3 147 TYR QD 5.25 (#SUP 0.76 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 877, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr2= 902, 911, &end # # 143 LEU HA 146 LYS HB3 5.22 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 824, 877, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 143 LEU HA 146 LYS HB2 5.22 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 824, 876, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 145 PRO HG2 152 ALA QB 5.50 (#SUP 0.89 #QF 0.48) &rst ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 975, 976, 977, &end # # 142 GLU HA 145 PRO HD2 4.72 (#SUP 0.79 #QF 0.26) &rst ixpk= 0, nxpk= 0, iat= 809, 859, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 143 LEU HA 145 PRO HD2 4.67 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 824, 859, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 144 MET HB2 145 PRO HD3 4.02 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 845, 860, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 144 MET HB2 145 PRO HD2 4.63 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 845, 859, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 144 MET HG2 145 PRO HD3 4.81 (#SUP 0.93 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 848, 860, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 144 MET HB3 145 PRO HD3 4.02 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 846, 860, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 144 MET HB3 145 PRO HD2 4.63 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 145 PRO HD3 152 ALA QB 4.69 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 860, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 975, 976, 977, &end # # 145 PRO HA 152 ALA QB 3.67 (#SUP 0.59 #QF 0.59) &rst ixpk= 0, nxpk= 0, iat= 868, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 975, 976, 977, &end # # 140 ILE QG2 144 MET QE 3.12 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 780, 781, 782, igr2= 852, 853, 854, &end # # 144 MET QE 148 ALA QB 4.41 (#SUP 0.79 #QF 0.79) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 852, 853, 854, igr2= 919, 920, 921, &end # # 103 LEU HB2 144 MET QE 4.75 (#SUP 0.81 #QF 0.44) &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 852, 853, 854, &end # # 140 ILE HB 144 MET QE 4.98 (#SUP 0.81 #QF 0.44) &rst ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 852, 853, 854, &end # # 144 MET HG3 144 MET QE 3.90 (#SUP 0.93 #QF 0.59) &rst ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 852, 853, 854, &end # # 144 MET HG2 144 MET QE 4.40 (#SUP 0.93 #QF 0.59) &rst ixpk= 0, nxpk= 0, iat= 848, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 852, 853, 854, &end # # 141 ASN HA 144 MET QE 4.23 (#SUP 0.73 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 852, 853, 854, &end # # 103 LEU QD2 144 MET QE 4.66 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, igr1= 166, 167, 168, igr2= 852, 853, 854, &end # # 140 ILE HG12 144 MET QE 4.40 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 852, 853, 854, &end # # 140 ILE QG2 144 MET HB2 5.09 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 780, 781, 782, &end # # 141 ASN HA 144 MET HB3 4.93 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 795, 846, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end # # 140 ILE QG2 144 MET HB3 5.09 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= -1, 846, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 780, 781, 782, &end # # 144 MET HA 144 MET HG3 3.89 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 843, 849, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 144 MET HA 144 MET QE 4.40 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr2= 852, 853, 854, &end # # 144 MET HA 148 ALA QB 4.35 (#SUP 0.49 #QF 0.49) &rst ixpk= 0, nxpk= 0, iat= 843, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 919, 920, 921, &end # # 143 LEU HB2 143 LEU QD1 3.39 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 831, 832, 833, &end # # 143 LEU HB3 143 LEU QD1 3.46 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 831, 832, 833, &end # # 143 LEU HA 143 LEU QD1 4.59 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 831, 832, 833, &end # # 143 LEU QD1 147 TYR QE 4.70 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr1= 831, 832, 833, igr2= 904, 909, &end # # 143 LEU HB3 147 TYR QD 4.71 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr2= 902, 911, &end # # 140 ILE HA 143 LEU HB3 5.24 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 776, 827, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 143 LEU HA 143 LEU QD2 3.15 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 835, 836, 837, &end # # 139 LYS HA 142 GLU HG3 5.06 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 754, 815, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 139 LYS HA 142 GLU HG2 5.06 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 754, 814, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 142 GLU H 142 GLU HG3 4.72 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 807, 815, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end # # 139 LYS HA 142 GLU HB3 4.64 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 754, 812, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 139 LYS HA 142 GLU HB2 4.64 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 754, 811, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 142 GLU HB2 143 LEU QD2 5.05 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 811, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 835, 836, 837, &end # # 142 GLU HB3 143 LEU QD2 5.05 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 812, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2= 835, 836, 837, &end # # 140 ILE QG2 140 ILE HG12 3.32 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= -1, 784, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1= 780, 781, 782, &end # # 136 TYR QD 140 ILE QD1 4.69 (#SUP 0.65 #QF 0.21) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 696, 705, igr2= 787, 788, 789, &end # # 116 LEU HA 140 ILE QD1 3.91 (#SUP 0.88 #QF 0.38) &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 787, 788, 789, &end # # 140 ILE HA 140 ILE QD1 4.29 (#SUP 0.88 #QF 0.38) &rst ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 787, 788, 789, &end # # 136 TYR HB3 140 ILE QD1 4.43 (#SUP 0.40 #QF 0.40) &rst ixpk= 0, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 787, 788, 789, &end # # 140 ILE HB 140 ILE QD1 3.24 (#SUP 0.97 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 787, 788, 789, &end # # 119 ILE HB 140 ILE QD1 3.52 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 787, 788, 789, &end # # 119 ILE QG2 140 ILE QD1 3.82 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 453, 454, 455, igr2= 787, 788, 789, &end # # 137 ILE HA 140 ILE HB 3.78 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 711, 778, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end # # 120 LEU HA 123 TRP HB3 5.00 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 468, 514, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 116 LEU HB2 136 TYR HB3 4.10 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 388, 693, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 116 LEU HB3 136 TYR HB3 3.74 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 389, 693, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 116 LEU QD1 136 TYR HB3 4.36 (#SUP 0.72 #QF 0.46) &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 393, 394, 395, &end # # 116 LEU QD2 136 TYR HB3 4.36 (#SUP 0.72 #QF 0.46) &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 397, 398, 399, &end # # 116 LEU HB3 136 TYR HB2 4.13 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 389, 692, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 118 LYS HA 121 ASP HB3 4.02 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 427, 490, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 121 ASP HB3 122 ASP H 4.38 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 490, 497, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 121 ASP HB2 122 ASP H 4.38 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 489, 497, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 108 LEU HB3 116 LEU QD2 3.93 (#SUP 0.65 #QF 0.37) &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 397, 398, 399, &end # # 120 LEU HB2 120 LEU QD1 4.14 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 475, 476, 477, &end # # 120 LEU HB3 120 LEU QD1 4.14 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 475, 476, 477, &end # # 120 LEU HB3 120 LEU QD2 4.14 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 479, 480, 481, &end # # 120 LEU HB2 120 LEU QD2 4.14 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 470, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, igr2= 479, 480, 481, &end # # 120 LEU HA 123 TRP HB2 4.02 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 468, 513, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 120 LEU HA 120 LEU HG 3.83 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 468, 473, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 119 ILE QG2 120 LEU HA 4.62 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= -1, 468, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 453, 454, 455, &end # # 120 LEU HA 123 TRP HE3 3.95 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 468, 528, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 119 ILE QG2 119 ILE QD1 3.30 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 453, 454, 455, igr2= 460, 461, 462, &end # # 119 ILE HA 119 ILE QD1 4.36 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 460, 461, 462, &end # # 116 LEU HA 119 ILE QD1 3.61 (#SUP 0.73 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 460, 461, 462, &end # # 119 ILE H 119 ILE QD1 4.30 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 460, 461, 462, &end # # 116 LEU HA 119 ILE HB 4.41 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 386, 451, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 119 ILE HA 119 ILE QG2 3.48 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 453, 454, 455, &end # # 119 ILE HA 119 ILE HG13 3.90 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 449, 458, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 118 LYS QG 119 ILE HA 4.97 (#SUP 0.46 #QF 0.46) &rst ixpk= 0, nxpk= 0, iat= -1, 449, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 432, 433, &end # # 119 ILE HA 122 ASP HB3 4.68 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 449, 502, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 119 ILE HA 122 ASP HB2 4.68 (#SUP 0.74 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 449, 501, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end # # 118 LYS HA 118 LYS HD2 5.19 (#SUP 0.52 #QF 0.52) &rst ixpk= 0, nxpk= 0, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 118 LYS HA 121 ASP HB2 4.02 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 427, 489, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 115 GLU HA 115 GLU HG2 3.84 (#SUP 0.57 #QF 0.57) &rst ixpk= 0, nxpk= 0, iat= 371, 376, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 115 GLU HA 115 GLU HG3 3.84 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 371, 377, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 118 LYS HA 118 LYS HD3 5.19 (#SUP 0.88 #QF 0.68) &rst ixpk= 0, nxpk= 0, iat= 427, 436, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 118 LYS HA 118 LYS QG 3.55 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 432, 433, &end # # 117 LYS HA 120 LEU H 4.09 (#SUP 0.86 #QF 0.52) &rst ixpk= 0, nxpk= 0, iat= 405, 466, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 117 LYS HA 117 LYS HG2 3.68 (#SUP 0.99 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 405, 410, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 117 LYS HA 117 LYS HG3 3.68 (#SUP 0.77 #QF 0.77) &rst ixpk= 0, nxpk= 0, iat= 405, 411, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 116 LEU HB3 116 LEU QD2 3.84 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 397, 398, 399, &end # # 120 LEU QD2 136 TYR QD 4.23 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 479, 480, 481, igr2= 696, 705, &end # # 116 LEU HB3 136 TYR QD 4.93 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 696, 705, &end # # 113 VAL HA 116 LEU HB3 4.42 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 333, 389, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 116 LEU HB3 116 LEU QD1 3.84 (#SUP 0.95 #QF 0.59) &rst ixpk= 0, nxpk= 0, iat= 389, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 393, 394, 395, &end # # 108 LEU HA 108 LEU QD2 4.41 (#SUP 0.80 #QF 0.64) &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 238, 239, 240, &end # # 115 GLU H 115 GLU HG2 4.25 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 369, 376, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 111 LEU QD1 115 GLU HG3 5.50 (#SUP 0.97 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 297, 298, 299, &end # # 111 LEU QD2 115 GLU HG3 5.50 (#SUP 0.97 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= -1, 377, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 301, 302, 303, &end # # 111 LEU QD1 115 GLU HG2 5.50 (#SUP 0.89 #QF 0.62) &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 297, 298, 299, &end # # 111 LEU QD2 115 GLU HG2 5.50 (#SUP 0.89 #QF 0.62) &rst ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 301, 302, 303, &end # # 111 LEU HG 115 GLU HG3 4.48 (#SUP 0.62 #QF 0.62) &rst ixpk= 0, nxpk= 0, iat= 295, 377, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 111 LEU HG 115 GLU HG2 4.48 (#SUP 0.62 #QF 0.62) &rst ixpk= 0, nxpk= 0, iat= 295, 376, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end # # 113 VAL HA 136 TYR QD 5.04 (#SUP 0.97 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 696, 705, &end # # 113 VAL HA 116 LEU HB2 3.49 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 333, 388, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 113 VAL HA 133 LYS QG 5.28 (#SUP 0.59 #QF 0.59) &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr2= 650, 651, &end # # 113 VAL HA 113 VAL QG2 3.65 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 341, 342, 343, &end # # 113 VAL HA 113 VAL QG1 3.65 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 337, 338, 339, &end # # 113 VAL HA 133 LYS QD 4.79 (#SUP 0.55 #QF 0.55) &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2= 653, 654, &end # # 112 ARG HA 112 ARG QG 3.42 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 314, 315, &end # # 111 LEU H 111 LEU HG 4.06 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 288, 295, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 111 LEU HA 111 LEU HG 4.25 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 111 LEU H 111 LEU QD2 4.89 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 301, 302, 303, &end # # 139 LYS HE2 143 LEU QD1 4.38 (#SUP 0.36 #QF 0.36) &rst ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 831, 832, 833, &end # # 139 LYS HE3 143 LEU QD1 4.38 (#SUP 0.28 #QF 0.28) &rst ixpk= 0, nxpk= 0, iat= 766, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 831, 832, 833, &end # # 99 LYS QG 99 LYS QE 3.55 (#SUP 0.76 #QF 0.41) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 90, 91, igr2= 96, 97, &end # # 99 LYS HA 99 LYS QG 3.75 (#SUP 0.50 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 90, 91, &end # # 109 LYS QG 109 LYS QE 3.90 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 251, 252, igr2= 257, 258, &end # # 109 LYS HA 109 LYS QE 4.65 (#SUP 0.81 #QF 0.81) &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 257, 258, &end # # 109 LYS HA 109 LYS QG 3.56 (#SUP 0.58 #QF 0.58) &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 251, 252, &end # # 109 LYS HA 137 ILE QD1 3.48 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 246, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 722, 723, 724, &end # # 108 LEU HA 108 LEU QD1 4.41 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2= 234, 235, 236, &end # # 108 LEU H 108 LEU QD1 4.07 (#SUP 0.81 #QF 0.81) &rst ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 234, 235, 236, &end # # 108 LEU HB3 109 LYS H 5.22 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 230, 244, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 108 LEU HB3 116 LEU QD1 3.93 (#SUP 0.78 #QF 0.56) &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 393, 394, 395, &end # # 108 LEU HB2 137 ILE QD1 4.00 (#SUP 0.71 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 722, 723, 724, &end # # 108 LEU HA 110 LYS H 5.08 (#SUP 0.81 #QF 0.81) &rst ixpk= 0, nxpk= 0, iat= 227, 266, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 107 ASP HB3 110 LYS QD 4.78 (#SUP 0.66 #QF 0.66) &rst ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 276, 277, &end # # 107 ASP HB2 110 LYS QD 4.78 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 217, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr2= 276, 277, &end # # 106 VAL QG1 108 LEU HA 4.66 (#SUP 0.25 #QF 0.25) &rst ixpk= 0, nxpk= 0, iat= -1, 227, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 203, 204, 205, &end # # 106 VAL HA 106 VAL QG1 3.87 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 203, 204, 205, &end # # 103 LEU HA 106 VAL QG1 3.80 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 203, 204, 205, &end # # 106 VAL QG1 108 LEU HG 4.97 (#SUP 0.25 #QF 0.25) &rst ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 203, 204, 205, &end # # 103 LEU HA 106 VAL QG2 3.77 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 207, 208, 209, &end # # 106 VAL HA 106 VAL QG2 3.56 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 207, 208, 209, &end # # 134 SER HA 137 ILE HB 3.38 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 667, 713, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 134 SER HA 137 ILE QD1 3.51 (#SUP 0.25 #QF 0.25) &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 722, 723, 724, &end # # 105 THR HA 105 THR QG2 3.30 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr2= 189, 190, 191, &end # # 103 LEU QD1 148 ALA QB 4.77 (#SUP 0.79 #QF 0.79) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38, igr1= 162, 163, 164, igr2= 919, 920, 921, &end # # 103 LEU QD1 119 ILE QG2 4.59 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12, igr1= 162, 163, 164, igr2= 453, 454, 455, &end # # 103 LEU HB3 144 MET QE 4.75 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 852, 853, 854, &end # # 103 LEU HB3 103 LEU QD1 3.79 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 162, 163, 164, &end # # 103 LEU HB2 103 LEU QD1 3.79 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 157, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 162, 163, 164, &end # # 103 LEU HB3 103 LEU QD2 3.79 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 166, 167, 168, &end # # 103 LEU HA 103 LEU QD1 4.27 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr2= 162, 163, 164, &end # # 103 LEU HA 106 VAL HB 4.23 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 155, 201, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 101 ILE QG2 101 ILE HG13 4.15 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= -1, 133, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 128, 129, 130, &end # # 101 ILE QG2 101 ILE HG12 4.15 (#SUP 0.99 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 128, 129, 130, &end # # 133 LYS QE 137 ILE QD1 4.47 (#SUP 0.20 #QF 0.20) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53, igr1= 656, 657, igr2= 722, 723, 724, &end # # 137 ILE HA 137 ILE QD1 4.38 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr2= 722, 723, 724, &end # # 108 LEU HB3 137 ILE QD1 3.67 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 722, 723, 724, &end # # 101 ILE HB 101 ILE QD1 3.69 (#SUP 0.97 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 135, 136, 137, &end # # 144 MET HA 148 ALA H 4.05 (#SUP 0.44 #QF 0.44) &rst ixpk= 0, nxpk= 0, iat= 843, 915, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 101 ILE HA 101 ILE QG2 3.82 (#SUP 0.96 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 128, 129, 130, &end # # 101 ILE HA 101 ILE QD1 4.13 (#SUP 0.96 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 135, 136, 137, &end # # 138 ARG HB2 139 LYS H 4.43 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 732, 752, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 138 ARG HB3 138 ARG QD 4.09 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 733, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 738, 739, &end # # 108 LEU HB3 137 ILE HG13 4.40 (#SUP 0.77 #QF 0.77) &rst ixpk= 0, nxpk= 0, iat= 230, 720, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 108 LEU HB3 137 ILE HG12 4.40 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 230, 719, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 130 CYS HA 135 ASP QB 5.50 (#SUP 0.92 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= 610, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 680, 681, &end # # 134 SER HA 135 ASP QB 5.50 (#SUP 0.92 #QF 0.50) &rst ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 680, 681, &end # # 103 LEU QD1 144 MET QE 4.66 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22, igr1= 162, 163, 164, igr2= 852, 853, 854, &end # # 103 LEU QD1 123 TRP HH2 4.88 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 162, 163, 164, &end # # 100 GLN HA 101 ILE HB 5.35 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 100 GLN HA 100 GLN QG 3.90 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 107, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 112, 113, &end # # 119 ILE QD1 140 ILE QG2 3.96 (#SUP 0.51 #QF 0.51) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 460, 461, 462, igr2= 780, 781, 782, &end # # 137 ILE QG2 141 ASN HD22 4.10 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= -1, 803, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 715, 716, 717, &end # # 137 ILE QG2 138 ARG HA 4.30 (#SUP 0.75 #QF 0.75) &rst ixpk= 0, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 715, 716, 717, &end # # 137 ILE HA 137 ILE QG2 3.55 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 715, 716, 717, &end # # 108 LEU HB3 137 ILE QG2 4.80 (#SUP 0.40 #QF 0.40) &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2= 715, 716, 717, &end # # 137 ILE QG2 141 ASN HD21 4.10 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= -1, 802, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 715, 716, 717, &end # # 137 ILE HA 140 ILE QG2 5.27 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 780, 781, 782, &end # # 140 ILE QG2 141 ASN HA 5.31 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= -1, 795, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 780, 781, 782, &end # # 126 THR HA 126 THR QG2 4.07 (#SUP 0.85 #QF 0.64) &rst ixpk= 0, nxpk= 0, iat= 557, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr2= 561, 562, 563, &end # # 120 LEU HG 123 TRP HE3 5.50 (#SUP 0.58 #QF 0.22) &rst ixpk= 0, nxpk= 0, iat= 473, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 120 LEU HG 136 TYR QD 5.50 (#SUP 0.58 #QF 0.22) &rst ixpk= 0, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 696, 705, &end # # 138 ARG H 138 ARG HB3 3.74 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 728, 733, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 123 TRP HH2 144 MET HG2 5.37 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 524, 848, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 144 MET H 144 MET HG3 4.92 (#SUP 1.00) &rst ixpk= 1, nxpk= 0, iat= 841, 849, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 125 GLU HG2 147 TYR QE 4.83 (#SUP 0.74 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2= 904, 909, &end # # 125 GLU HG3 147 TYR QE 4.83 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr2= 904, 909, &end # # 123 TRP HE3 125 GLU HG2 5.32 (#SUP 0.77 #QF 0.77) &rst ixpk= 0, nxpk= 0, iat= 528, 547, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 123 TRP HE3 125 GLU HG3 5.32 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 528, 548, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end # # 123 TRP HB2 125 GLU HG3 5.06 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 513, 548, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 123 TRP HB2 125 GLU HG2 5.06 (#SUP 0.83 #QF 0.83) &rst ixpk= 0, nxpk= 0, iat= 513, 547, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 125 GLU HG3 143 LEU QD1 4.17 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 548, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 831, 832, 833, &end # # 125 GLU HG2 143 LEU QD1 4.17 (#SUP 0.78 #QF 0.78) &rst ixpk= 0, nxpk= 0, iat= 547, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2= 831, 832, 833, &end # # 127 CYS QB 130 CYS QB 4.70 (#SUP 0.47 #QF 0.47) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr1= 573, 574, igr2= 612, 613, &end # # 138 ARG HB2 138 ARG QD 4.09 (#SUP 0.89 #QF 0.62) &rst ixpk= 0, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 738, 739, &end # # 135 ASP HA 138 ARG QD 5.19 (#SUP 0.78 #QF 0.78) &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr2= 738, 739, &end # # 143 LEU HB3 147 TYR QE 5.09 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2= 904, 909, &end # # 143 LEU HB3 144 MET H 4.94 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 827, 841, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 121 ASP HA 124 GLY H 4.42 (#SUP 0.24 #QF 0.24) &rst ixpk= 0, nxpk= 0, iat= 487, 533, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 139 LYS HA 139 LYS HD2 3.88 (#SUP 0.89 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 754, 762, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 139 LYS HA 139 LYS QG 3.67 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 759, 760, &end # # 139 LYS HA 143 LEU QD2 4.67 (#SUP 0.84 #QF 0.84) &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 835, 836, 837, &end # # 138 ARG HA 138 ARG HG3 4.10 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= 730, 736, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 138 ARG HA 141 ASN HD21 5.19 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 730, 802, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 138 ARG HA 138 ARG QD 4.64 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2= 738, 739, &end # # 138 ARG HA 138 ARG HG2 4.10 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 730, 735, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 133 LYS HA 136 TYR HB2 4.31 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 645, 692, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 113 VAL QG2 133 LYS HA 4.88 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 341, 342, 343, &end # # 113 VAL QG1 133 LYS HA 4.88 (#SUP 0.89 #QF 0.89) &rst ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 337, 338, 339, &end # # 123 TRP HH2 140 ILE HA 3.84 (#SUP 0.94 #QF 0.94) &rst ixpk= 0, nxpk= 0, iat= 524, 776, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 137 ILE HA 140 ILE QD1 3.06 (#SUP 0.69 #QF 0.69) &rst ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, igr2= 787, 788, 789, &end # # 140 ILE HA 140 ILE QG2 3.22 (#SUP 0.95 #QF 0.95) &rst ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2= 780, 781, 782, &end # # 140 ILE HA 140 ILE HG12 3.49 (#SUP 0.96 #QF 0.96) &rst ixpk= 0, nxpk= 0, iat= 776, 784, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end # # 140 ILE HA 143 LEU HB2 4.18 (#SUP 0.92 #QF 0.36) &rst ixpk= 0, nxpk= 0, iat= 776, 826, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 140 ILE HA 140 ILE HG13 3.42 (#SUP 0.95 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 776, 785, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 140 ILE HA 144 MET QE 4.70 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 852, 853, 854, &end # # 136 TYR HA 136 TYR QD 3.74 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 696, 705, &end # # 133 LYS HA 136 TYR QD 3.35 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 696, 705, &end # # 117 LYS HA 136 TYR QD 4.06 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 696, 705, &end # # 113 VAL QG2 136 TYR QD 4.32 (#SUP 0.80 #QF 0.33) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 341, 342, 343, igr2= 696, 705, &end # # 120 LEU QD1 136 TYR QD 4.23 (#SUP 0.80 #QF 0.33) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 475, 476, 477, igr2= 696, 705, &end # # 116 LEU HB2 136 TYR QD 4.00 (#SUP 0.77 #QF 0.77) &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 696, 705, &end # # 133 LYS QB 136 TYR QD 4.87 (#SUP 0.82 #QF 0.82) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr1= 647, 648, igr2= 696, 705, &end # # 123 TRP HB3 147 TYR QD 4.47 (#SUP 0.74 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 902, 911, &end # # 143 LEU HB2 147 TYR QD 4.33 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 902, 911, &end # # 113 VAL QG1 136 TYR QD 4.32 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 337, 338, 339, igr2= 696, 705, &end # # 117 LYS HA 136 TYR QE 4.14 (#SUP 0.98 #QF 0.98) &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 698, 703, &end # # 127 CYS QB 136 TYR QE 5.06 (#SUP 0.42 #QF 0.42) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 573, 574, igr2= 698, 703, &end # # 113 VAL QG2 136 TYR QE 3.85 (#SUP 0.81 #QF 0.30) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 341, 342, 343, igr2= 698, 703, &end # # 113 VAL QG1 136 TYR QE 3.85 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 337, 338, 339, igr2= 698, 703, &end # # 117 LYS HG2 136 TYR QE 3.91 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 698, 703, &end # # 117 LYS HG3 136 TYR QE 3.91 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 411, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 698, 703, &end # # 113 VAL HB 136 TYR QE 5.43 (#SUP 0.93 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 335, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 698, 703, &end # # 117 LYS QE 136 TYR QE 4.52 (#SUP 0.71 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 416, 417, igr2= 698, 703, &end # # 133 LYS HA 136 TYR QE 4.85 (#SUP 0.66 #QF 0.66) &rst ixpk= 0, nxpk= 0, iat= 645, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 698, 703, &end # # 117 LYS H 136 TYR QE 5.00 (#SUP 0.79 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2= 698, 703, &end # # 133 LYS H 136 TYR QE 5.47 (#SUP 0.79 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 643, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64, igr2= 698, 703, &end # # 123 TRP HB3 147 TYR QE 3.31 (#SUP 0.59 #QF 0.59) &rst ixpk= 0, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 904, 909, &end # # 146 LYS QE 147 TYR QE 4.09 (#SUP 0.87 #QF 0.87) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 885, 886, igr2= 904, 909, &end # # 123 TRP HB2 147 TYR QE 4.23 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2= 904, 909, &end # # 147 TYR HA 147 TYR QE 4.75 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 904, 909, &end # # 143 LEU HA 147 TYR QE 4.88 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 824, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 904, 909, &end # # 146 LYS HA 147 TYR QE 5.50 (#SUP 0.35 #QF 0.35) &rst ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 904, 909, &end # # 143 LEU HB2 147 TYR QE 4.11 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 826, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, igr2= 904, 909, &end # # 143 LEU QD2 147 TYR QE 3.96 (#SUP 0.80 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr1= 835, 836, 837, igr2= 904, 909, &end # # 146 LYS HG2 147 TYR QE 4.92 (#SUP 0.80 #QF 0.73) &rst ixpk= 0, nxpk= 0, iat= 879, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 904, 909, &end # # 146 LYS HG3 147 TYR QE 4.92 (#SUP 0.74 #QF 0.74) &rst ixpk= 0, nxpk= 0, iat= 880, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr2= 904, 909, &end # # 123 TRP HB2 123 TRP HE3 4.00 (#SUP 0.55 #QF 0.55) &rst ixpk= 0, nxpk= 0, iat= 513, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 123 TRP HE3 143 LEU HB3 4.00 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 528, 827, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 123 TRP HE3 143 LEU HB2 4.17 (#SUP 0.98 #QF 0.32) &rst ixpk= 0, nxpk= 0, iat= 528, 826, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end # # 123 TRP HE3 143 LEU QD1 3.52 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 831, 832, 833, &end # # 119 ILE QG2 123 TRP HE3 5.08 (#SUP 0.71 #QF 0.71) &rst ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1= 453, 454, 455, &end # # 123 TRP HE3 147 TYR QD 4.64 (#SUP 0.70 #QF 0.70) &rst ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2= 902, 911, &end # # 123 TRP HE3 147 TYR QE 4.85 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2= 904, 909, &end # # 123 TRP HA 123 TRP HD1 3.07 (#SUP 0.36 #QF 0.36) &rst ixpk= 0, nxpk= 0, iat= 511, 517, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end # # 123 TRP HD1 147 TYR QD 4.54 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2= 902, 911, &end # # 123 TRP HD1 147 TYR HB2 5.09 (#SUP 0.76 #QF 0.76) &rst ixpk= 0, nxpk= 0, iat= 517, 898, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 123 TRP HD1 147 TYR HB3 5.09 (#SUP 0.91 #QF 0.91) &rst ixpk= 0, nxpk= 0, iat= 517, 899, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59, &end # # 123 TRP HH2 144 MET HA 3.93 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= 524, 843, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 123 TRP HH2 144 MET HG3 4.34 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= 524, 849, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end # # 123 TRP HH2 144 MET QE 4.04 (#SUP 0.92 #QF 0.92) &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 852, 853, 854, &end # # 123 TRP HH2 140 ILE HB 5.50 (#SUP 0.91 #QF 0.33) &rst ixpk= 0, nxpk= 0, iat= 524, 778, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 TRP HH2 140 ILE HG13 5.50 (#SUP 0.91 #QF 0.33) &rst ixpk= 0, nxpk= 0, iat= 524, 785, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 123 TRP HH2 140 ILE QG2 3.42 (#SUP 0.93 #QF 0.93) &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 780, 781, 782, &end # # 119 ILE QG2 123 TRP HH2 4.42 (#SUP 0.80 #QF 0.80) &rst ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr1= 453, 454, 455, &end # # 103 LEU QD2 123 TRP HH2 4.88 (#SUP 0.85 #QF 0.85) &rst ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1= 166, 167, 168, &end # # 123 TRP HZ2 144 MET QE 4.46 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr2= 852, 853, 854, &end # # 119 ILE QG2 123 TRP HZ2 4.26 (#SUP 0.90 #QF 0.90) &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 453, 454, 455, &end # # 103 LEU QD2 123 TRP HZ2 4.25 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 166, 167, 168, &end # # 103 LEU QD1 123 TRP HZ2 4.25 (#SUP 0.99 #QF 0.99) &rst ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 162, 163, 164, &end # # 123 TRP HZ2 148 ALA QB 3.78 (#SUP 0.97 #QF 0.97) &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, igr2= 919, 920, 921, &end # # 123 TRP HZ2 144 MET HG3 4.98 (#SUP 0.88 #QF 0.88) &rst ixpk= 0, nxpk= 0, iat= 522, 849, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 123 TRP HZ2 144 MET HA 4.78 (#SUP 0.86 #QF 0.86) &rst ixpk= 0, nxpk= 0, iat= 522, 843, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end # # 99 LYS H 99 LYS QB 3.66 &rst ixpk= 0, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 87, 88, &end # # 100 GLN QB 101 ILE H 3.96 &rst ixpk= 0, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr1= 109, 110, &end # # 101 ILE HA 101 ILE QG1 3.74 &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 132, 133, &end # # 101 ILE QG1 102 ASP H 4.34 &rst ixpk= 0, nxpk= 0, iat= -1, 141, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr1= 132, 133, &end # # 101 ILE QG1 103 LEU H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 153, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 132, 133, &end # # 101 ILE QG1 104 SER H 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr1= 132, 133, &end # # 101 ILE QG1 104 SER QB 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 132, 133, igr2= 176, 177, &end # # 102 ASP H 102 ASP QB 3.31 &rst ixpk= 0, nxpk= 0, iat= 141, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2= 145, 146, &end # # 102 ASP QB 104 SER H 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 145, 146, &end # # 103 LEU H 103 LEU QB 3.01 &rst ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 157, 158, &end # # 103 LEU H 103 LEU QQD 4.49 &rst ixpk= 0, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2= 162, 163, 164, 166, 167, 168, &end # # 103 LEU HA 103 LEU QQD 3.50 &rst ixpk= 0, nxpk= 0, iat= 155, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr2= 162, 163, 164, 166, 167, 168, &end # # 103 LEU QB 103 LEU QQD 2.84 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr1= 157, 158, igr2= 162, 163, 164, 166, 167, 168, &end # # 103 LEU QB 104 SER H 4.05 &rst ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 157, 158, &end # # 103 LEU QB 106 VAL QG2 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 157, 158, igr2= 207, 208, 209, &end # # 103 LEU QB 144 MET QE 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1= 157, 158, igr2= 852, 853, 854, &end # # 103 LEU QQD 104 SER H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 172, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 162, 163, 164, 166, 167, 168, &end # # 103 LEU QQD 106 VAL H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 197, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 162, 163, 164, 166, 167, 168, &end # # 103 LEU QQD 119 ILE QG2 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 162, 163, 164, 166, 167, 168, igr2= 453, 454, 455, &end # # 103 LEU QQD 123 TRP HH2 4.13 &rst ixpk= 0, nxpk= 0, iat= -1, 524, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 162, 163, 164, 166, 167, 168, &end # # 103 LEU QQD 144 MET HG3 4.90 &rst ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 162, 163, 164, 166, 167, 168, &end # # 103 LEU QQD 144 MET QE 3.53 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 162, 163, 164, 166, 167, 168, igr2= 852, 853, 854, &end # # 103 LEU QQD 148 ALA QB 3.85 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73, igr1= 162, 163, 164, 166, 167, 168, igr2= 919, 920, 921, &end # # 104 SER H 104 SER QB 3.19 &rst ixpk= 0, nxpk= 0, iat= 172, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 176, 177, &end # # 104 SER QB 105 THR H 4.39 &rst ixpk= 0, nxpk= 0, iat= -1, 183, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 176, 177, &end # # 104 SER QB 105 THR QG2 4.87 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06, igr1= 176, 177, igr2= 189, 190, 191, &end # # 107 ASP H 110 LYS QB 5.23 &rst ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 270, 271, &end # # 107 ASP QB 108 LEU H 4.25 &rst ixpk= 0, nxpk= 0, iat= -1, 225, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 217, 218, &end # # 107 ASP QB 109 LYS H 4.70 &rst ixpk= 0, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 217, 218, &end # # 107 ASP QB 109 LYS QG 4.83 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 217, 218, igr2= 251, 252, &end # # 107 ASP QB 110 LYS H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 266, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 217, 218, &end # # 107 ASP QB 110 LYS QB 3.97 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 217, 218, igr2= 270, 271, &end # # 107 ASP QB 110 LYS QG 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 217, 218, igr2= 273, 274, &end # # 107 ASP QB 110 LYS QD 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 217, 218, igr2= 276, 277, &end # # 108 LEU H 108 LEU QQD 3.52 &rst ixpk= 0, nxpk= 0, iat= 225, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 234, 235, 236, 238, 239, 240, &end # # 108 LEU HA 108 LEU QQD 2.96 &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr2= 234, 235, 236, 238, 239, 240, &end # # 108 LEU HA 111 LEU QQD 3.30 &rst ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr2= 297, 298, 299, 301, 302, 303, &end # # 108 LEU HB3 116 LEU QQD 3.41 &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 393, 394, 395, 397, 398, 399, &end # # 108 LEU HB3 137 ILE QG1 3.76 &rst ixpk= 0, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 719, 720, &end # # 109 LYS H 109 LYS QB 3.05 &rst ixpk= 0, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 248, 249, &end # # 109 LYS QB 109 LYS QE 4.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 248, 249, igr2= 257, 258, &end # # 110 LYS H 110 LYS QB 2.88 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, igr2= 270, 271, &end # # 110 LYS H 110 LYS QG 4.09 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 273, 274, &end # # 110 LYS H 111 LEU QQD 4.29 &rst ixpk= 0, nxpk= 0, iat= 266, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr2= 297, 298, 299, 301, 302, 303, &end # # 110 LYS HA 110 LYS QG 3.35 &rst ixpk= 0, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr2= 273, 274, &end # # 111 LEU H 111 LEU QB 2.85 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 292, 293, &end # # 111 LEU H 111 LEU QQD 3.54 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 297, 298, 299, 301, 302, 303, &end # # 111 LEU H 115 GLU QB 5.08 &rst ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 373, 374, &end # # 111 LEU HA 111 LEU QQD 3.05 &rst ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 297, 298, 299, 301, 302, 303, &end # # 111 LEU QB 111 LEU QQD 2.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 292, 293, igr2= 297, 298, 299, 301, 302, 303, &end # # 111 LEU QB 112 ARG H 3.38 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr1= 292, 293, &end # # 111 LEU QB 115 GLU H 4.69 &rst ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 292, 293, &end # # 111 LEU QB 115 GLU QB 3.37 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 292, 293, igr2= 373, 374, &end # # 111 LEU HG 115 GLU QG 3.84 &rst ixpk= 0, nxpk= 0, iat= 295, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 376, 377, &end # # 111 LEU QQD 112 ARG H 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, 307, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 297, 298, 299, 301, 302, 303, &end # # 111 LEU QQD 115 GLU H 5.42 &rst ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81, igr1= 297, 298, 299, 301, 302, 303, &end # # 111 LEU QQD 115 GLU QB 3.52 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 297, 298, 299, 301, 302, 303, igr2= 373, 374, &end # # 111 LEU QQD 115 GLU QG 4.21 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87, igr1= 297, 298, 299, 301, 302, 303, igr2= 376, 377, &end # # 112 ARG H 112 ARG QB 3.08 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 311, 312, &end # # 112 ARG H 115 GLU QB 3.66 &rst ixpk= 0, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 373, 374, &end # # 112 ARG QB 114 LYS H 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr1= 311, 312, &end # # 112 ARG QB 115 GLU H 4.30 &rst ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 311, 312, &end # # 113 VAL HA 113 VAL QQG 3.12 &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 337, 338, 339, 341, 342, 343, &end # # 113 VAL HA 116 LEU QQD 3.39 &rst ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 393, 394, 395, 397, 398, 399, &end # # 113 VAL QQG 114 LYS H 4.02 &rst ixpk= 0, nxpk= 0, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 114 LYS HA 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, 349, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 114 LYS QB 5.26 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46, igr1= 337, 338, 339, 341, 342, 343, igr2= 351, 352, &end # # 113 VAL QQG 116 LEU HB2 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 388, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 117 LYS H 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 117 LYS QB 4.79 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75, igr1= 337, 338, 339, 341, 342, 343, igr2= 407, 408, &end # # 113 VAL QQG 117 LYS QG 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10, igr1= 337, 338, 339, 341, 342, 343, igr2= 410, 411, &end # # 113 VAL QQG 117 LYS QE 4.74 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67, igr1= 337, 338, 339, 341, 342, 343, igr2= 416, 417, &end # # 113 VAL QQG 132 GLU HA 5.37 &rst ixpk= 0, nxpk= 0, iat= -1, 630, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 133 LYS HA 3.49 &rst ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 133 LYS QB 3.88 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 337, 338, 339, 341, 342, 343, igr2= 647, 648, &end # # 113 VAL QQG 133 LYS QG 3.81 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 337, 338, 339, 341, 342, 343, igr2= 650, 651, &end # # 113 VAL QQG 136 TYR H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 337, 338, 339, 341, 342, 343, &end # # 113 VAL QQG 136 TYR QD 3.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr1= 337, 338, 339, 341, 342, 343, igr2= 696, 705, &end # # 113 VAL QQG 136 TYR QE 3.32 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 337, 338, 339, 341, 342, 343, igr2= 698, 703, &end # # 114 LYS H 114 LYS QB 3.21 &rst ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 351, 352, &end # # 114 LYS HA 117 LYS QB 3.86 &rst ixpk= 0, nxpk= 0, iat= 349, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 407, 408, &end # # 114 LYS QB 115 GLU H 3.36 &rst ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr1= 351, 352, &end # # 114 LYS QB 115 GLU HA 4.06 &rst ixpk= 0, nxpk= 0, iat= -1, 371, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 351, 352, &end # # 115 GLU H 115 GLU QB 3.04 &rst ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, igr2= 373, 374, &end # # 115 GLU H 115 GLU QG 3.64 &rst ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2= 376, 377, &end # # 115 GLU QB 116 LEU H 3.47 &rst ixpk= 0, nxpk= 0, iat= -1, 384, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr1= 373, 374, &end # # 116 LEU H 116 LEU QQD 3.62 &rst ixpk= 0, nxpk= 0, iat= 384, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2= 393, 394, 395, 397, 398, 399, &end # # 116 LEU HA 116 LEU QQD 2.99 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2= 393, 394, 395, 397, 398, 399, &end # # 116 LEU HA 119 ILE QG1 4.33 &rst ixpk= 0, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 457, 458, &end # # 116 LEU HB2 116 LEU QQD 2.98 &rst ixpk= 0, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr2= 393, 394, 395, 397, 398, 399, &end # # 116 LEU QQD 117 LYS H 4.37 &rst ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39, igr1= 393, 394, 395, 397, 398, 399, &end # # 116 LEU QQD 133 LYS HA 3.71 &rst ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 393, 394, 395, 397, 398, 399, &end # # 116 LEU QQD 133 LYS QD 3.59 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 393, 394, 395, 397, 398, 399, igr2= 653, 654, &end # # 116 LEU QQD 136 TYR H 4.12 &rst ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 393, 394, 395, 397, 398, 399, &end # # 116 LEU QQD 136 TYR HB2 3.92 &rst ixpk= 0, nxpk= 0, iat= -1, 692, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 393, 394, 395, 397, 398, 399, &end # # 116 LEU QQD 136 TYR HB3 3.64 &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 393, 394, 395, 397, 398, 399, &end # # 116 LEU QQD 136 TYR QD 5.16 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31, igr1= 393, 394, 395, 397, 398, 399, igr2= 696, 705, &end # # 117 LYS H 117 LYS QB 3.20 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr2= 407, 408, &end # # 117 LYS H 117 LYS QG 3.33 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, igr2= 410, 411, &end # # 117 LYS H 120 LEU QQD 5.44 &rst ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr2= 475, 476, 477, 479, 480, 481, &end # # 117 LYS HA 120 LEU QB 3.94 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 470, 471, &end # # 117 LYS HA 120 LEU QQD 3.81 &rst ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr2= 475, 476, 477, 479, 480, 481, &end # # 117 LYS QB 117 LYS QE 4.77 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1= 407, 408, igr2= 416, 417, &end # # 117 LYS QB 118 LYS H 3.25 &rst ixpk= 0, nxpk= 0, iat= -1, 425, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, igr1= 407, 408, &end # # 117 LYS QB 118 LYS HA 4.86 &rst ixpk= 0, nxpk= 0, iat= -1, 427, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 407, 408, &end # # 117 LYS QB 136 TYR QE 5.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 407, 408, igr2= 698, 703, &end # # 117 LYS QG 136 TYR QD 4.17 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, igr1= 410, 411, igr2= 696, 705, &end # # 117 LYS QG 136 TYR QE 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 410, 411, igr2= 698, 703, &end # # 118 LYS HA 118 LYS QD 4.33 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 435, 436, &end # # 118 LYS HA 121 ASP QB 3.23 &rst ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 489, 490, &end # # 118 LYS QD 119 ILE H 4.46 &rst ixpk= 0, nxpk= 0, iat= -1, 447, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 435, 436, &end # # 118 LYS QD 120 LEU H 4.66 &rst ixpk= 0, nxpk= 0, iat= -1, 466, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 435, 436, &end # # 119 ILE H 120 LEU QQD 4.56 &rst ixpk= 0, nxpk= 0, iat= 447, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 475, 476, 477, 479, 480, 481, &end # # 119 ILE HA 119 ILE QG1 3.23 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 457, 458, &end # # 119 ILE HA 122 ASP QB 3.90 &rst ixpk= 0, nxpk= 0, iat= 449, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr2= 501, 502, &end # # 119 ILE HB 120 LEU QQD 4.15 &rst ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr2= 475, 476, 477, 479, 480, 481, &end # # 119 ILE QG2 120 LEU QQD 4.42 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66, igr1= 453, 454, 455, igr2= 475, 476, 477, 479, 480, 481, &end # # 120 LEU H 120 LEU QB 3.06 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 470, 471, &end # # 120 LEU H 121 ASP QB 4.88 &rst ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2= 489, 490, &end # # 120 LEU HA 120 LEU QQD 3.18 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 475, 476, 477, 479, 480, 481, &end # # 120 LEU HA 125 GLU QB 4.48 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 544, 545, &end # # 120 LEU HA 125 GLU QG 5.34 &rst ixpk= 0, nxpk= 0, iat= 468, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 547, 548, &end # # 120 LEU QB 121 ASP H 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1= 470, 471, &end # # 120 LEU QB 136 TYR QE 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 470, 471, igr2= 698, 703, &end # # 120 LEU QQD 121 ASP H 4.67 &rst ixpk= 0, nxpk= 0, iat= -1, 485, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 475, 476, 477, 479, 480, 481, &end # # 120 LEU QQD 123 TRP HB2 4.99 &rst ixpk= 0, nxpk= 0, iat= -1, 513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 475, 476, 477, 479, 480, 481, &end # # 120 LEU QQD 123 TRP HE3 3.46 &rst ixpk= 0, nxpk= 0, iat= -1, 528, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr1= 475, 476, 477, 479, 480, 481, &end # # 120 LEU QQD 125 GLU QB 3.90 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 475, 476, 477, 479, 480, 481, igr2= 544, 545, &end # # 120 LEU QQD 127 CYS QB 5.27 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.97, r4= 8.47, igr1= 475, 476, 477, 479, 480, 481, igr2= 573, 574, &end # # 120 LEU QQD 136 TYR H 5.44 &rst ixpk= 0, nxpk= 0, iat= -1, 688, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83, igr1= 475, 476, 477, 479, 480, 481, &end # # 120 LEU QQD 136 TYR HA 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, 690, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 475, 476, 477, 479, 480, 481, &end # # 120 LEU QQD 136 TYR QD 3.40 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, igr1= 475, 476, 477, 479, 480, 481, igr2= 696, 705, &end # # 120 LEU QQD 136 TYR QE 3.95 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 475, 476, 477, 479, 480, 481, igr2= 698, 703, &end # # 121 ASP H 121 ASP QB 3.17 &rst ixpk= 0, nxpk= 0, iat= 485, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 489, 490, &end # # 122 ASP H 122 ASP QB 3.10 &rst ixpk= 0, nxpk= 0, iat= 497, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, igr2= 501, 502, &end # # 122 ASP QB 123 TRP H 3.48 &rst ixpk= 0, nxpk= 0, iat= -1, 509, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1= 501, 502, &end # # 122 ASP QB 123 TRP HD1 4.36 &rst ixpk= 0, nxpk= 0, iat= -1, 517, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 501, 502, &end # # 123 TRP H 124 GLY QA 4.93 &rst ixpk= 0, nxpk= 0, iat= 509, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr2= 535, 536, &end # # 123 TRP HB2 125 GLU QG 4.44 &rst ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr2= 547, 548, &end # # 123 TRP HD1 147 TYR QB 4.48 &rst ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 898, 899, &end # # 123 TRP HE3 125 GLU QB 4.74 &rst ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr2= 544, 545, &end # # 123 TRP HE3 125 GLU QG 4.66 &rst ixpk= 0, nxpk= 0, iat= 528, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr2= 547, 548, &end # # 123 TRP HE1 147 TYR QB 4.13 &rst ixpk= 0, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2= 898, 899, &end # # 123 TRP HZ2 147 TYR QB 4.73 &rst ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 898, 899, &end # # 123 TRP HH2 144 MET QB 4.56 &rst ixpk= 0, nxpk= 0, iat= 524, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 845, 846, &end # # 124 GLY H 125 GLU QB 4.62 &rst ixpk= 0, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr2= 544, 545, &end # # 125 GLU H 125 GLU QB 3.18 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2= 544, 545, &end # # 125 GLU H 125 GLU QG 3.76 &rst ixpk= 0, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 547, 548, &end # # 125 GLU QB 126 THR H 3.45 &rst ixpk= 0, nxpk= 0, iat= -1, 555, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 544, 545, &end # # 125 GLU QB 143 LEU QD1 3.63 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 544, 545, igr2= 831, 832, 833, &end # # 125 GLU QG 143 LEU QD1 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr1= 547, 548, igr2= 831, 832, 833, &end # # 125 GLU QG 147 TYR QE 4.15 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 547, 548, igr2= 904, 909, &end # # 131 ALA QB 132 GLU QG 4.24 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 622, 623, 624, igr2= 635, 636, &end # # 132 GLU H 132 GLU QG 3.46 &rst ixpk= 0, nxpk= 0, iat= 628, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 635, 636, &end # # 135 ASP HA 138 ARG QB 3.60 &rst ixpk= 0, nxpk= 0, iat= 678, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 732, 733, &end # # 136 TYR HA 139 LYS QB 4.56 &rst ixpk= 0, nxpk= 0, iat= 690, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 756, 757, &end # # 137 ILE H 137 ILE QG1 3.51 &rst ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 719, 720, &end # # 137 ILE HA 137 ILE QG1 3.11 &rst ixpk= 0, nxpk= 0, iat= 711, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, igr2= 719, 720, &end # # 138 ARG H 138 ARG QB 2.91 &rst ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, igr2= 732, 733, &end # # 138 ARG H 138 ARG QG 4.67 &rst ixpk= 0, nxpk= 0, iat= 728, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 735, 736, &end # # 138 ARG HA 138 ARG QG 3.50 &rst ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2= 735, 736, &end # # 138 ARG HA 141 ASN QB 3.68 &rst ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 797, 798, &end # # 138 ARG HA 141 ASN QD2 4.45 &rst ixpk= 0, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 802, 803, &end # # 138 ARG QB 139 LYS H 3.58 &rst ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1= 732, 733, &end # # 139 LYS H 139 LYS QB 3.60 &rst ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 756, 757, &end # # 139 LYS HA 139 LYS QD 3.34 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 762, 763, &end # # 139 LYS HA 142 GLU QB 3.87 &rst ixpk= 0, nxpk= 0, iat= 754, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr2= 811, 812, &end # # 139 LYS QB 139 LYS QE 4.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 756, 757, igr2= 765, 766, &end # # 139 LYS QB 140 ILE H 3.42 &rst ixpk= 0, nxpk= 0, iat= -1, 774, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr1= 756, 757, &end # # 139 LYS QB 141 ASN H 5.34 &rst ixpk= 0, nxpk= 0, iat= -1, 793, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 756, 757, &end # # 139 LYS QE 143 LEU QD1 3.82 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 765, 766, igr2= 831, 832, 833, &end # # 140 ILE H 141 ASN QB 4.96 &rst ixpk= 0, nxpk= 0, iat= 774, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 797, 798, &end # # 140 ILE QG2 144 MET QB 4.31 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 780, 781, 782, igr2= 845, 846, &end # # 141 ASN H 141 ASN QB 3.01 &rst ixpk= 0, nxpk= 0, iat= 793, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, igr2= 797, 798, &end # # 141 ASN HA 144 MET QB 4.18 &rst ixpk= 0, nxpk= 0, iat= 795, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 845, 846, &end # # 141 ASN QB 142 GLU H 3.39 &rst ixpk= 0, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr1= 797, 798, &end # # 141 ASN QB 142 GLU HA 5.06 &rst ixpk= 0, nxpk= 0, iat= -1, 809, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 797, 798, &end # # 142 GLU H 142 GLU QB 2.85 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, igr2= 811, 812, &end # # 142 GLU H 142 GLU QG 3.96 &rst ixpk= 0, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 814, 815, &end # # 142 GLU HA 142 GLU QG 3.68 &rst ixpk= 0, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 814, 815, &end # # 142 GLU QB 143 LEU H 3.30 &rst ixpk= 0, nxpk= 0, iat= -1, 822, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1= 811, 812, &end # # 142 GLU QB 143 LEU QD2 4.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 811, 812, igr2= 835, 836, 837, &end # # 142 GLU QG 143 LEU QD2 4.33 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 814, 815, igr2= 835, 836, 837, &end # # 144 MET H 144 MET QB 2.78 &rst ixpk= 0, nxpk= 0, iat= 841, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, igr2= 845, 846, &end # # 144 MET QB 144 MET QE 3.57 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 845, 846, igr2= 852, 853, 854, &end # # 144 MET QB 145 PRO HD2 3.79 &rst ixpk= 0, nxpk= 0, iat= -1, 859, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 845, 846, &end # # 144 MET QB 145 PRO HD3 3.28 &rst ixpk= 0, nxpk= 0, iat= -1, 860, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, igr1= 845, 846, &end # # 144 MET QB 152 ALA QB 4.41 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr1= 845, 846, igr2= 975, 976, 977, &end # # 145 PRO QB 146 LYS H 3.93 &rst ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr1= 865, 866, &end # # 145 PRO HG2 146 LYS QB 5.34 &rst ixpk= 0, nxpk= 0, iat= 862, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr2= 876, 877, &end # # 146 LYS H 146 LYS QG 4.22 &rst ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 879, 880, &end # # 146 LYS HA 146 LYS QG 3.47 &rst ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 879, 880, &end # # 146 LYS QB 147 TYR H 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, 894, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr1= 876, 877, &end # # 146 LYS QB 147 TYR QD 4.58 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 876, 877, igr2= 902, 911, &end # # 146 LYS QG 146 LYS QE 3.44 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 879, 880, igr2= 885, 886, &end # # 146 LYS QG 147 TYR QE 4.11 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 879, 880, igr2= 904, 909, &end # # 146 LYS QD 147 TYR HA 4.84 &rst ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 882, 883, &end # # 146 LYS QD 147 TYR QD 4.23 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr1= 882, 883, igr2= 902, 911, &end # # 146 LYS QD 147 TYR QE 3.62 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 882, 883, igr2= 904, 909, &end # # 147 TYR H 147 TYR QB 3.22 &rst ixpk= 0, nxpk= 0, iat= 894, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 898, 899, &end # # 147 TYR QB 148 ALA H 3.76 &rst ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 898, 899, &end # # 147 TYR QB 148 ALA QB 5.19 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 898, 899, igr2= 919, 920, 921, &end # # 148 ALA H 149 PRO QD 4.03 &rst ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 926, 927, &end # # 148 ALA QB 149 PRO QD 3.70 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 919, 920, 921, igr2= 926, 927, &end # # 149 PRO QD 150 LYS H 4.61 &rst ixpk= 0, nxpk= 0, iat= -1, 939, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 926, 927, &end # # 155 ARG H 155 ARG QB 3.34 &rst ixpk= 0, nxpk= 0, iat=1002, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2=1006,1007, &end # # 155 ARG QB 155 ARG QD 3.06 &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=1006,1007, igr2=1012,1013, &end # # 155 ARG QB 157 ASP H 4.57 &rst ixpk= 0, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1006,1007, &end # # 158 LEU HA 158 LEU QQD 4.08 &rst ixpk= 0, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, igr2=1061,1062,1063,1065,1066,1067, &end
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