NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
9939 | 1p1a | cing | 1-original | 2 | AMBER | distance | NOE | simple |
# # 3 HIS QB 20 ILE HA 5.020 (#SUP 1.38 ) &rst ixpk= 1, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, rk2=15.0, rk3=15.0, ir6=1, ialtd=0, igr1= 26, 27, &end # # 4 MET QG 20 ILE QD1 4.160 (#SUP 2.00 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr1= 46, 47, igr2= 328, 329, 330, &end # # 4 MET QG 22 PRO QD 4.315 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 46, 47, igr2= 347, 348, &end # # 5 GLN HA 5 GLN QB 3.685 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 60, 61, &end # # 5 GLN HA 5 GLN QG 4.115 (#SUP 4.79 ) &rst ixpk= 4, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 63, 64, &end # # 5 GLN HA 19 ASP- HA 3.190 (#SUP 8.84 ) &rst ixpk= 8, nxpk= 0, iat= 58, 305, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end # # 5 GLN HA 19 ASP- QB 4.445 (#SUP 4.15 ) &rst ixpk= 4, nxpk= 0, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 307, 308, &end # # 5 GLN QB 5 GLN QE2 3.905 (#SUP 2.70 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr1= 60, 61, igr2= 68, 69, &end # # 5 GLN QB 19 ASP- HA 3.810 (#SUP 4.99 ) &rst ixpk= 4, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1= 60, 61, &end # # 5 GLN QG 19 ASP- HA 4.850 (#SUP 3.46 ) &rst ixpk= 3, nxpk= 0, iat= -1, 305, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 63, 64, &end # # 6 VAL HA 6 VAL HB 3.800 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= 75, 77, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end # # 6 VAL HA 67 ILE MG2 4.590 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2=1072,1073,1074, &end # # 7 THR HA 7 THR HB 4.400 (#SUP 3.70 ) &rst ixpk= 3, nxpk= 0, iat= 91, 93, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 7 THR HA 7 THR MG2 3.390 (#SUP 4.44 ) &rst ixpk= 4, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2= 95, 96, 97, &end # # 7 THR HA 8 LEU HA 5.160 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= 91, 105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 7 THR HA 8 LEU HG 4.195 (#SUP 3.73 ) &rst ixpk= 3, nxpk= 0, iat= 91, 110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 7 THR HA 17 LYS+ HA 3.240 (#SUP 4.90 ) &rst ixpk= 4, nxpk= 0, iat= 91, 264, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end # # 7 THR HA 17 LYS+ QD 4.305 (#SUP 3.72 ) &rst ixpk= 3, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 272, 273, &end # # 7 THR HB 7 THR MG2 3.150 (#SUP 3.43 ) &rst ixpk= 3, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2= 95, 96, 97, &end # # 7 THR HB 72 PHE HA 3.500 (#SUP 6.83 ) &rst ixpk= 6, nxpk= 0, iat= 93,1150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 7 THR HB 72 PHE QB 4.225 (#SUP 5.62 ) &rst ixpk= 5, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=1152,1153, &end # # 7 THR HB 72 PHE QD 4.670 (#SUP 3.75 ) &rst ixpk= 3, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1156,1164, &end # # 7 THR MG2 7 THR HB 3.130 (#SUP 3.43 ) &rst ixpk= 3, nxpk= 0, iat= -1, 93, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, igr1= 95, 96, 97, &end # # 7 THR MG2 8 LEU HA 5.195 (#SUP 4.27 ) &rst ixpk= 4, nxpk= 0, iat= -1, 105, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 95, 96, 97, &end # # 7 THR MG2 15 THR HA 4.825 (#SUP 2.00 ) &rst ixpk= 2, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr1= 95, 96, 97, &end # # 7 THR MG2 15 THR HB 3.800 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 95, 96, 97, &end # # 7 THR MG2 72 PHE HA 3.745 (#SUP 3.75 ) &rst ixpk= 3, nxpk= 0, iat= -1,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr1= 95, 96, 97, &end # # 7 THR MG2 72 PHE QB 3.885 (#SUP 2.73 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 95, 96, 97, igr2=1152,1153, &end # # 8 LEU HA 8 LEU QB 3.770 (#SUP 5.54 ) &rst ixpk= 5, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr2= 107, 108, &end # # 8 LEU HA 15 THR MG2 5.105 (#SUP 1.69 ) &rst ixpk= 1, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 234, 235, 236, &end # # 8 LEU QB 16 PHE HZ 4.455 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 107, 108, &end # # 8 LEU QB 16 PHE HZ 4.455 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 107, 108, &end # # 8 LEU QB 16 PHE QD 4.275 (#SUP 4.00 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1= 107, 108, igr2= 250, 258, &end # # 8 LEU QB 16 PHE QE 3.915 (#SUP 4.39 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr1= 107, 108, igr2= 252, 256, &end # # 8 LEU HG 16 PHE HZ 4.540 (#SUP 6.08 ) &rst ixpk= 6, nxpk= 0, iat= 110, 254, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 8 LEU HG 16 PHE QD 4.155 (#SUP 6.83 ) &rst ixpk= 6, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2= 250, 258, &end # # 8 LEU HG 16 PHE QE 3.820 (#SUP 6.12 ) &rst ixpk= 6, nxpk= 0, iat= 110, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr2= 252, 256, &end # # 8 LEU HG 17 LYS+ HA 4.130 (#SUP 7.11 ) &rst ixpk= 7, nxpk= 0, iat= 110, 264, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 9 LYS+ HA 9 LYS+ QG 4.840 (#SUP 2.60 ) &rst ixpk= 2, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr2= 129, 130, &end # # 9 LYS+ HA 9 LYS+ QB 3.890 (#SUP 2.60 ) &rst ixpk= 2, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, igr2= 126, 127, &end # # 9 LYS+ HA 10 THR MG2 5.075 (#SUP 2.70 ) &rst ixpk= 2, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr2= 150, 151, 152, &end # # 9 LYS+ HA 15 THR HA 3.255 (#SUP 6.63 ) &rst ixpk= 6, nxpk= 0, iat= 124, 230, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 9 LYS+ HA 15 THR HB 4.740 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat= 124, 232, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 9 LYS+ HA 15 THR MG2 3.510 (#SUP 6.71 ) &rst ixpk= 6, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 234, 235, 236, &end # # 9 LYS+ HA 16 PHE QE 4.955 (#SUP 4.99 ) &rst ixpk= 4, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 252, 256, &end # # 9 LYS+ QE 72 PHE QD 5.150 (#SUP 3.65 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 135, 136, igr2=1156,1164, &end # # 9 LYS+ QE 72 PHE QE 5.180 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03, igr1= 135, 136, igr2=1158,1162, &end # # 9 LYS+ QG 72 PHE QD 4.640 (#SUP 5.27 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 129, 130, igr2=1156,1164, &end # # 9 LYS+ QG 72 PHE QE 4.625 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 129, 130, igr2=1158,1162, &end # # 9 LYS+ QB 72 PHE QD 4.300 (#SUP 4.13 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 126, 127, igr2=1156,1164, &end # # 9 LYS+ QB 74 VAL HA 4.505 (#SUP 2.00 ) &rst ixpk= 2, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 126, 127, &end # # 9 LYS+ QD 72 PHE QD 4.085 (#SUP 4.90 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 132, 133, igr2=1156,1164, &end # # 9 LYS+ QD 72 PHE QE 4.625 (#SUP 3.65 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 132, 133, igr2=1158,1162, &end # # 10 THR HA 10 THR HB 3.450 (#SUP 3.22 ) &rst ixpk= 3, nxpk= 0, iat= 146, 148, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end # # 10 THR HA 10 THR MG2 3.600 (#SUP 3.66 ) &rst ixpk= 3, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr2= 150, 151, 152, &end # # 10 THR HA 75 VAL HB 4.695 (#SUP 1.78 ) &rst ixpk= 1, nxpk= 0, iat= 146,1204, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 10 THR HB 10 THR MG2 3.200 (#SUP 3.44 ) &rst ixpk= 3, nxpk= 0, iat= 148, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, igr2= 150, 151, 152, &end # # 10 THR MG2 15 THR HA 5.405 (#SUP 5.81 ) &rst ixpk= 5, nxpk= 0, iat= -1, 230, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99, igr1= 150, 151, 152, &end # # 10 THR MG2 16 PHE HZ 4.845 (#SUP 2.07 ) &rst ixpk= 2, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32, igr1= 150, 151, 152, &end # # 10 THR MG2 16 PHE QD 4.135 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 150, 151, 152, igr2= 250, 258, &end # # 10 THR MG2 16 PHE QE 3.565 (#SUP 4.26 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, igr1= 150, 151, 152, igr2= 252, 256, &end # # 10 THR MG2 42 PHE HZ 3.680 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr1= 150, 151, 152, &end # # 10 THR MG2 42 PHE QE 3.870 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 150, 151, 152, igr2= 673, 677, &end # # 11 LEU HA 11 LEU QB 3.470 (#SUP 4.58 ) &rst ixpk= 4, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 162, 163, &end # # 12 GLN HA 12 GLN QB 4.005 (#SUP 2.88 ) &rst ixpk= 2, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 181, 182, &end # # 12 GLN HA 12 GLN QG 3.165 (#SUP 3.62 ) &rst ixpk= 3, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr2= 184, 185, &end # # 12 GLN HA 13 GLN QE2 4.765 (#SUP 4.62 ) &rst ixpk= 4, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 206, 207, &end # # 12 GLN HA 13 GLN QG 4.635 (#SUP 3.89 ) &rst ixpk= 3, nxpk= 0, iat= 179, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 201, 202, &end # # 13 GLN HA 13 GLN QG 4.115 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 201, 202, &end # # 13 GLN HA 13 GLN QB 3.820 (#SUP 2.83 ) &rst ixpk= 2, nxpk= 0, iat= 196, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 198, 199, &end # # 14 GLN HA 14 GLN QB 3.785 (#SUP 3.87 ) &rst ixpk= 3, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 215, 216, &end # # 14 GLN HA 14 GLN QG 3.810 (#SUP 4.00 ) &rst ixpk= 4, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 218, 219, &end # # 14 GLN QB 16 PHE QD 4.425 (#SUP 2.33 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 215, 216, igr2= 250, 258, &end # # 14 GLN QG 16 PHE QD 4.935 (#SUP 2.33 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1= 218, 219, igr2= 250, 258, &end # # 15 THR HA 15 THR HB 3.400 (#SUP 3.74 ) &rst ixpk= 3, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 15 THR HA 15 THR MG2 3.485 (#SUP 4.85 ) &rst ixpk= 4, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr2= 234, 235, 236, &end # # 15 THR HA 16 PHE QD 4.420 (#SUP 5.82 ) &rst ixpk= 5, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, igr2= 250, 258, &end # # 15 THR HB 15 THR MG2 3.340 (#SUP 3.73 ) &rst ixpk= 3, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 234, 235, 236, &end # # 15 THR MG2 16 PHE HA 4.830 (#SUP 4.39 ) &rst ixpk= 4, nxpk= 0, iat= -1, 244, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 234, 235, 236, &end # # 15 THR MG2 72 PHE QD 4.715 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86, igr1= 234, 235, 236, igr2=1156,1164, &end # # 15 THR MG2 72 PHE QE 4.890 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50, igr1= 234, 235, 236, igr2=1158,1162, &end # # 16 PHE HA 16 PHE QB 3.140 (#SUP 4.44 ) &rst ixpk= 4, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 246, 247, &end # # 16 PHE HA 16 PHE QD 4.020 (#SUP 6.49 ) &rst ixpk= 6, nxpk= 0, iat= 244, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2= 250, 258, &end # # 16 PHE QB 16 PHE QD 3.270 (#SUP 6.01 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 246, 247, igr2= 250, 258, &end # # 16 PHE QB 16 PHE QD 3.270 (#SUP 6.01 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 246, 247, igr2= 250, 258, &end # # 16 PHE HZ 33 ILE QG1 4.510 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 540, 541, &end # # 16 PHE HZ 33 ILE QD1 3.685 (#SUP 2.44 ) &rst ixpk= 2, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 543, 544, 545, &end # # 16 PHE HZ 33 ILE MG2 4.535 (#SUP 2.44 ) &rst ixpk= 2, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2= 536, 537, 538, &end # # 16 PHE QD 16 PHE QB 3.260 (#SUP 6.01 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr1= 250, 258, igr2= 246, 247, &end # # 16 PHE QD 16 PHE HZ 4.375 (#SUP 3.81 ) &rst ixpk= 3, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 250, 258, &end # # 16 PHE QD 16 PHE QE 3.620 (#SUP 4.63 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr1= 250, 258, igr2= 252, 256, &end # # 16 PHE QD 17 LYS+ HA 4.835 (#SUP 5.12 ) &rst ixpk= 5, nxpk= 0, iat= -1, 264, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 250, 258, &end # # 16 PHE QD 18 ILE QD1 4.040 (#SUP 2.33 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 250, 258, igr2= 297, 298, 299, &end # # 16 PHE QD 18 ILE QG1 3.980 (#SUP 2.74 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 250, 258, igr2= 294, 295, &end # # 16 PHE QD 32 LYS+ QD 4.715 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 250, 258, igr2= 518, 519, &end # # 16 PHE QE 16 PHE HZ 3.055 (#SUP 1.31 ) &rst ixpk= 1, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr1= 252, 256, &end # # 16 PHE QE 16 PHE QD 3.360 (#SUP 4.63 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 252, 256, igr2= 250, 258, &end # # 16 PHE QE 18 ILE QG1 4.095 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1= 252, 256, igr2= 294, 295, &end # # 16 PHE QE 32 LYS+ QD 5.145 (#SUP 4.04 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 252, 256, igr2= 518, 519, &end # # 16 PHE QE 33 ILE HA 4.165 (#SUP 4.08 ) &rst ixpk= 4, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 252, 256, &end # # 16 PHE QE 33 ILE HB 4.570 (#SUP 4.08 ) &rst ixpk= 4, nxpk= 0, iat= -1, 534, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 252, 256, &end # # 16 PHE QE 33 ILE QG1 4.255 (#SUP 5.98 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1= 252, 256, igr2= 540, 541, &end # # 16 PHE QE 33 ILE QD1 3.870 (#SUP 5.52 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 252, 256, igr2= 543, 544, 545, &end # # 16 PHE QE 33 ILE MG2 3.730 (#SUP 5.52 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 252, 256, igr2= 536, 537, 538, &end # # 17 LYS+ HA 17 LYS+ QB 3.750 (#SUP 3.56 ) &rst ixpk= 3, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 266, 267, &end # # 17 LYS+ HA 17 LYS+ QG 3.790 (#SUP 3.09 ) &rst ixpk= 3, nxpk= 0, iat= 264, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 269, 270, &end # # 18 ILE HB 19 ASP- HA 4.940 (#SUP 1.75 ) &rst ixpk= 1, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 18 ILE MG2 33 ILE HA 4.640 (#SUP 0.73 ) &rst ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 290, 291, 292, &end # # 19 ASP- HA 19 ASP- QB 3.245 (#SUP 4.13 ) &rst ixpk= 4, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, igr2= 307, 308, &end # # 19 ASP- HA 20 ILE HA 4.795 (#SUP 4.90 ) &rst ixpk= 4, nxpk= 0, iat= 305, 317, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 19 ASP- HA 20 ILE QD1 3.250 (#SUP 4.30 ) &rst ixpk= 4, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2= 328, 329, 330, &end # # 19 ASP- HA 20 ILE MG2 5.220 (#SUP 4.13 ) &rst ixpk= 4, nxpk= 0, iat= 305, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 321, 322, 323, &end # # 19 ASP- QB 20 ILE HA 4.315 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat= -1, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 307, 308, &end # # 20 ILE HA 20 ILE HB 2.850 (#SUP 4.99 ) &rst ixpk= 4, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end # # 20 ILE HA 20 ILE QD1 3.855 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, igr2= 328, 329, 330, &end # # 20 ILE HA 20 ILE MG2 3.170 (#SUP 5.03 ) &rst ixpk= 5, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, igr2= 321, 322, 323, &end # # 20 ILE QD1 28 ALA MB 4.850 (#SUP 0.73 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49, igr1= 328, 329, 330, igr2= 446, 447, 448, &end # # 20 ILE QG1 24 GLU- QG 4.480 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 325, 326, igr2= 382, 383, &end # # 20 ILE MG2 32 LYS+ QE 3.970 (#SUP 2.40 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 321, 322, 323, igr2= 521, 522, &end # # 21 ASP- HA 21 ASP- QB 4.170 (#SUP 2.72 ) &rst ixpk= 2, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2= 338, 339, &end # # 21 ASP- HA 22 PRO QD 3.285 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr2= 347, 348, &end # # 22 PRO HA 22 PRO QB 4.520 (#SUP 3.97 ) &rst ixpk= 3, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 353, 354, &end # # 22 PRO HA 22 PRO QG 3.160 (#SUP 3.97 ) &rst ixpk= 3, nxpk= 0, iat= 356, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr2= 350, 351, &end # # 22 PRO QB 22 PRO HA 5.330 (#SUP 3.97 ) &rst ixpk= 3, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 353, 354, &end # # 22 PRO QB 22 PRO QD 3.390 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, igr1= 353, 354, igr2= 347, 348, &end # # 22 PRO QB 22 PRO HA 5.330 (#SUP 3.97 ) &rst ixpk= 3, nxpk= 0, iat= -1, 356, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 353, 354, &end # # 22 PRO QD 22 PRO QB 3.530 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, igr1= 347, 348, igr2= 353, 354, &end # # 22 PRO QD 22 PRO QG 3.320 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr1= 347, 348, igr2= 350, 351, &end # # 22 PRO QG 22 PRO QD 3.450 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1= 350, 351, igr2= 347, 348, &end # # 23 GLU- HA 23 GLU- QB 3.690 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 364, 365, &end # # 23 GLU- HA 23 GLU- QG 4.050 (#SUP 3.68 ) &rst ixpk= 3, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 367, 368, &end # # 23 GLU- HA 63 LYS+ QG 4.470 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr2= 993, 994, &end # # 23 GLU- HA 63 LYS+ QD 3.860 (#SUP 2.64 ) &rst ixpk= 2, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 996, 997, &end # # 24 GLU- HA 24 GLU- QB 3.030 (#SUP 2.49 ) &rst ixpk= 2, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, igr2= 379, 380, &end # # 24 GLU- HA 24 GLU- QG 3.925 (#SUP 3.25 ) &rst ixpk= 3, nxpk= 0, iat= 377, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 382, 383, &end # # 25 THR HA 25 THR MG2 3.425 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 396, 397, 398, &end # # 25 THR HA 61 ALA HA 3.060 (#SUP 4.09 ) &rst ixpk= 4, nxpk= 0, iat= 392, 959, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 25 THR HA 61 ALA MB 4.330 (#SUP 5.44 ) &rst ixpk= 5, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2= 961, 962, 963, &end # # 25 THR HB 25 THR MG2 3.190 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= 394, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 396, 397, 398, &end # # 25 THR HB 61 ALA HA 4.375 (#SUP 1.27 ) &rst ixpk= 1, nxpk= 0, iat= 394, 959, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end # # 25 THR MG2 25 THR HB 3.080 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= -1, 394, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1= 396, 397, 398, &end # # 25 THR MG2 59 ASP- HA 4.160 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 396, 397, 398, &end # # 26 VAL HA 26 VAL HB 4.050 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end # # 26 VAL HA 28 ALA MB 4.535 (#SUP 3.12 ) &rst ixpk= 3, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2= 446, 447, 448, &end # # 26 VAL HA 29 LEU QB 3.775 (#SUP 3.21 ) &rst ixpk= 3, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 456, 457, &end # # 26 VAL HA 29 LEU HG 4.180 (#SUP 2.18 ) &rst ixpk= 2, nxpk= 0, iat= 406, 459, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 27 LYS+ HA 27 LYS+ QG 3.885 (#SUP 4.20 ) &rst ixpk= 4, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2= 427, 428, &end # # 27 LYS+ HA 27 LYS+ QD 3.960 (#SUP 3.46 ) &rst ixpk= 3, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, igr2= 430, 431, &end # # 28 ALA HA 31 GLU- QB 3.350 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= 444, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 497, 498, &end # # 28 ALA MB 29 LEU HA 4.040 (#SUP 3.52 ) &rst ixpk= 3, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 446, 447, 448, &end # # 29 LEU HA 29 LEU QB 4.000 (#SUP 4.78 ) &rst ixpk= 4, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr2= 456, 457, &end # # 29 LEU HA 29 LEU HG 3.520 (#SUP 4.44 ) &rst ixpk= 4, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end # # 29 LEU HA 32 LYS+ QD 4.040 (#SUP 1.99 ) &rst ixpk= 1, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2= 518, 519, &end # # 30 LYS+ HA 30 LYS+ QD 3.330 (#SUP 3.86 ) &rst ixpk= 3, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 481, 482, &end # # 30 LYS+ HA 30 LYS+ QG 3.615 (#SUP 1.92 ) &rst ixpk= 1, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 478, 479, &end # # 30 LYS+ HA 32 LYS+ QG 3.690 (#SUP 1.68 ) &rst ixpk= 1, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 515, 516, &end # # 30 LYS+ HA 33 ILE QG1 3.410 (#SUP 2.22 ) &rst ixpk= 2, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, igr2= 540, 541, &end # # 30 LYS+ QD 31 GLU- HA 3.365 (#SUP 1.89 ) &rst ixpk= 1, nxpk= 0, iat= -1, 495, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 481, 482, &end # # 30 LYS+ QD 44 VAL HA 3.810 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1= 481, 482, &end # # 30 LYS+ QG 44 VAL HA 5.145 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 699, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1= 478, 479, &end # # 31 GLU- HA 31 GLU- QG 3.655 (#SUP 2.66 ) &rst ixpk= 2, nxpk= 0, iat= 495, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr2= 500, 501, &end # # 32 LYS+ QG 32 LYS+ QE 4.410 (#SUP 1.31 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 515, 516, igr2= 521, 522, &end # # 33 ILE HA 33 ILE HB 3.865 (#SUP 3.08 ) &rst ixpk= 3, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 33 ILE HA 33 ILE QG1 4.235 (#SUP 4.09 ) &rst ixpk= 4, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2= 540, 541, &end # # 33 ILE HA 33 ILE QD1 3.490 (#SUP 4.38 ) &rst ixpk= 4, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 543, 544, 545, &end # # 33 ILE QG1 42 PHE QD 4.660 (#SUP 1.09 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr1= 540, 541, igr2= 671, 679, &end # # 33 ILE QD1 34 GLU- HA 4.530 (#SUP 3.47 ) &rst ixpk= 3, nxpk= 0, iat= -1, 551, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1= 543, 544, 545, &end # # 33 ILE QD1 37 LYS+ QB 4.780 (#SUP 3.24 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94, igr1= 543, 544, 545, igr2= 594, 595, &end # # 33 ILE QD1 37 LYS+ QG 4.630 (#SUP 3.24 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 543, 544, 545, igr2= 597, 598, &end # # 33 ILE QD1 42 PHE HA 4.320 (#SUP 3.34 ) &rst ixpk= 3, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 543, 544, 545, &end # # 33 ILE QD1 42 PHE QB 3.730 (#SUP 4.99 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 543, 544, 545, igr2= 667, 668, &end # # 33 ILE QD1 42 PHE QD 3.720 (#SUP 6.76 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 543, 544, 545, igr2= 671, 679, &end # # 33 ILE QD1 42 PHE QE 4.765 (#SUP 2.78 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr1= 543, 544, 545, igr2= 673, 677, &end # # 34 GLU- HA 34 GLU- QB 3.830 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, igr2= 553, 554, &end # # 34 GLU- HA 42 PHE QB 4.410 (#SUP 3.87 ) &rst ixpk= 3, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr2= 667, 668, &end # # 34 GLU- HA 42 PHE QD 4.905 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat= 551, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr2= 671, 679, &end # # 34 GLU- QB 39 LYS+ HA 4.905 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 621, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01, igr1= 553, 554, &end # # 34 GLU- QG 43 PRO HA 4.570 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 556, 557, &end # # 35 SER HA 35 SER QB 3.140 (#SUP 2.48 ) &rst ixpk= 2, nxpk= 0, iat= 566, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr2= 568, 569, &end # # 35 SER QB 36 GLU- QG 4.260 (#SUP 2.97 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, igr1= 568, 569, igr2= 582, 583, &end # # 36 GLU- HA 36 GLU- QG 3.565 (#SUP 2.19 ) &rst ixpk= 2, nxpk= 0, iat= 577, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, igr2= 582, 583, &end # # 36 GLU- QB 37 LYS+ QG 4.180 (#SUP 4.31 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1= 579, 580, igr2= 597, 598, &end # # 37 LYS+ HA 37 LYS+ QD 4.060 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 600, 601, &end # # 37 LYS+ HA 37 LYS+ QG 4.230 (#SUP 6.33 ) &rst ixpk= 6, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr2= 597, 598, &end # # 37 LYS+ HA 42 PHE QD 4.510 (#SUP 5.25 ) &rst ixpk= 5, nxpk= 0, iat= 592, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr2= 671, 679, &end # # 37 LYS+ QB 37 LYS+ QG 3.645 (#SUP 6.00 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 594, 595, igr2= 597, 598, &end # # 37 LYS+ QB 42 PHE QD 3.670 (#SUP 8.50 ) &rst ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 594, 595, igr2= 671, 679, &end # # 37 LYS+ QB 42 PHE QE 4.400 (#SUP 4.52 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 594, 595, igr2= 673, 677, &end # # 37 LYS+ QB 37 LYS+ QG 3.645 (#SUP 6.00 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr1= 594, 595, igr2= 597, 598, &end # # 37 LYS+ QB 42 PHE QD 3.670 (#SUP 8.50 ) &rst ixpk= 8, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 594, 595, igr2= 671, 679, &end # # 37 LYS+ QB 42 PHE QE 4.400 (#SUP 4.52 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 594, 595, igr2= 673, 677, &end # # 37 LYS+ QD 42 PHE QD 4.250 (#SUP 5.25 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1= 600, 601, igr2= 671, 679, &end # # 37 LYS+ QG 37 LYS+ QD 3.745 (#SUP 6.57 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1= 597, 598, igr2= 600, 601, &end # # 37 LYS+ QG 42 PHE QD 4.475 (#SUP 7.32 ) &rst ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1= 597, 598, igr2= 671, 679, &end # # 37 LYS+ QG 42 PHE QE 4.690 (#SUP 3.77 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 597, 598, igr2= 673, 677, &end # # 39 LYS+ HA 39 LYS+ QB 3.700 (#SUP 1.93 ) &rst ixpk= 1, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2= 623, 624, &end # # 39 LYS+ HA 43 PRO HA 3.740 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 621, 693, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 39 LYS+ HA 43 PRO QB 4.745 (#SUP 2.43 ) &rst ixpk= 2, nxpk= 0, iat= 621, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, igr2= 690, 691, &end # # 39 LYS+ QG 39 LYS+ QE 3.830 (#SUP 2.00 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr1= 626, 627, igr2= 632, 633, &end # # 39 LYS+ QG 43 PRO HA 4.625 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 693, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 626, 627, &end # # 41 ALA HA 42 PHE QD 4.820 (#SUP 4.95 ) &rst ixpk= 4, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 671, 679, &end # # 41 ALA MB 42 PHE HA 4.840 (#SUP 4.48 ) &rst ixpk= 4, nxpk= 0, iat= -1, 665, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 657, 658, 659, &end # # 41 ALA MB 42 PHE QB 4.980 (#SUP 3.44 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21, igr1= 657, 658, 659, igr2= 667, 668, &end # # 41 ALA MB 42 PHE QD 3.425 (#SUP 6.80 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1= 657, 658, 659, igr2= 671, 679, &end # # 41 ALA MB 42 PHE QE 3.760 (#SUP 3.73 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr1= 657, 658, 659, igr2= 673, 677, &end # # 42 PHE HA 42 PHE QB 3.810 (#SUP 3.82 ) &rst ixpk= 3, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 667, 668, &end # # 42 PHE HA 42 PHE QD 3.840 (#SUP 5.91 ) &rst ixpk= 5, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 671, 679, &end # # 42 PHE QB 42 PHE QD 3.430 (#SUP 5.49 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 667, 668, igr2= 671, 679, &end # # 42 PHE QB 42 PHE QE 4.710 (#SUP 3.33 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, igr1= 667, 668, igr2= 673, 677, &end # # 42 PHE QD 42 PHE QB 3.420 (#SUP 5.49 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1= 671, 679, igr2= 667, 668, &end # # 42 PHE QD 42 PHE HZ 4.710 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 671, 679, &end # # 42 PHE QD 42 PHE QE 3.030 (#SUP 5.59 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, igr1= 671, 679, igr2= 673, 677, &end # # 42 PHE QD 47 GLN QB 4.070 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 671, 679, igr2= 734, 735, &end # # 42 PHE QD 75 VAL HB 4.040 (#SUP 1.90 ) &rst ixpk= 1, nxpk= 0, iat= -1,1204, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr1= 671, 679, &end # # 42 PHE QE 42 PHE QB 4.750 (#SUP 3.33 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr1= 673, 677, igr2= 667, 668, &end # # 42 PHE QE 42 PHE HZ 3.365 (#SUP 2.12 ) &rst ixpk= 2, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr1= 673, 677, &end # # 42 PHE QE 42 PHE QD 2.980 (#SUP 5.59 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr1= 673, 677, igr2= 671, 679, &end # # 43 PRO HA 43 PRO QB 4.370 (#SUP 3.93 ) &rst ixpk= 3, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 690, 691, &end # # 43 PRO HA 43 PRO QG 3.320 (#SUP 3.27 ) &rst ixpk= 3, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 687, 688, &end # # 44 VAL HA 47 GLN QB 4.560 (#SUP 2.25 ) &rst ixpk= 2, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 734, 735, &end # # 44 VAL HA 47 GLN QG 4.085 (#SUP 3.86 ) &rst ixpk= 3, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, igr2= 737, 738, &end # # 47 GLN HA 47 GLN QB 3.645 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, igr2= 734, 735, &end # # 47 GLN HA 47 GLN QG 3.670 (#SUP 5.75 ) &rst ixpk= 5, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 737, 738, &end # # 47 GLN HA 77 VAL HA 3.525 (#SUP 5.23 ) &rst ixpk= 5, nxpk= 0, iat= 732,1235, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end # # 47 GLN QB 77 VAL HA 4.360 (#SUP 1.95 ) &rst ixpk= 1, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 734, 735, &end # # 48 LYS+ HA 48 LYS+ QD 3.920 (#SUP 1.52 ) &rst ixpk= 1, nxpk= 0, iat= 749, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 757, 758, &end # # 48 LYS+ HA 49 LEU HA 4.860 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 749, 771, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 48 LYS+ QB 76 MET QB 4.380 (#SUP 2.27 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1= 751, 752, igr2=1220,1221, &end # # 48 LYS+ QB 77 VAL HA 4.560 (#SUP 2.53 ) &rst ixpk= 2, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 751, 752, &end # # 49 LEU HA 49 LEU HG 3.405 (#SUP 4.35 ) &rst ixpk= 4, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 49 LEU HA 49 LEU QB 3.095 (#SUP 4.35 ) &rst ixpk= 4, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, igr2= 773, 774, &end # # 49 LEU HA 75 VAL HA 3.625 (#SUP 7.11 ) &rst ixpk= 7, nxpk= 0, iat= 771,1202, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 49 LEU HA 75 VAL HB 5.065 (#SUP 1.93 ) &rst ixpk= 1, nxpk= 0, iat= 771,1204, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end # # 50 ILE HA 50 ILE HB 3.805 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 790, 792, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 50 ILE HA 50 ILE QG1 3.720 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 798, 799, &end # # 50 ILE HA 50 ILE QD1 3.420 (#SUP 3.93 ) &rst ixpk= 3, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 801, 802, 803, &end # # 50 ILE HA 55 ILE HA 3.300 (#SUP 6.72 ) &rst ixpk= 6, nxpk= 0, iat= 790, 869, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 50 ILE QD1 53 GLY QA 4.325 (#SUP 2.59 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33, igr1= 801, 802, 803, igr2= 840, 841, &end # # 50 ILE QD1 54 LYS+ HA 4.920 (#SUP 2.41 ) &rst ixpk= 2, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41, igr1= 801, 802, 803, &end # # 50 ILE QD1 55 ILE HA 4.310 (#SUP 5.07 ) &rst ixpk= 5, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr1= 801, 802, 803, &end # # 50 ILE MG2 55 ILE HA 4.100 (#SUP 3.69 ) &rst ixpk= 3, nxpk= 0, iat= -1, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr1= 794, 795, 796, &end # # 51 TYR HA 51 TYR QB 3.685 (#SUP 5.00 ) &rst ixpk= 5, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 811, 812, &end # # 51 TYR HA 51 TYR QD 3.185 (#SUP 5.44 ) &rst ixpk= 5, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 815, 824, &end # # 51 TYR HA 51 TYR QE 4.565 (#SUP 4.76 ) &rst ixpk= 4, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2= 817, 822, &end # # 51 TYR HA 73 VAL HA 3.940 (#SUP 6.83 ) &rst ixpk= 6, nxpk= 0, iat= 809,1170, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 51 TYR QB 51 TYR QD 3.360 (#SUP 5.44 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 811, 812, igr2= 815, 824, &end # # 51 TYR QB 51 TYR QE 4.830 (#SUP 4.76 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 811, 812, igr2= 817, 822, &end # # 51 TYR QB 67 ILE MG2 4.875 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07, igr1= 811, 812, igr2=1072,1073,1074, &end # # 51 TYR QB 73 VAL HA 4.460 (#SUP 5.62 ) &rst ixpk= 5, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 811, 812, &end # # 51 TYR QB 51 TYR QD 3.360 (#SUP 5.44 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 811, 812, igr2= 815, 824, &end # # 51 TYR QB 51 TYR QE 4.830 (#SUP 4.76 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1= 811, 812, igr2= 817, 822, &end # # 51 TYR QB 56 LEU HG 4.950 (#SUP 2.67 ) &rst ixpk= 2, nxpk= 0, iat= -1, 893, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1= 811, 812, &end # # 51 TYR QD 51 TYR QB 3.370 (#SUP 5.44 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 815, 824, igr2= 811, 812, &end # # 51 TYR QD 51 TYR QE 2.790 (#SUP 5.31 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, igr1= 815, 824, igr2= 817, 822, &end # # 51 TYR QD 52 ALA MB 4.020 (#SUP 4.98 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 815, 824, igr2= 832, 833, 834, &end # # 51 TYR QD 54 LYS+ QD 4.060 (#SUP 1.22 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 815, 824, igr2= 855, 856, &end # # 51 TYR QD 67 ILE QD1 4.485 (#SUP 2.42 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1= 815, 824, igr2=1079,1080,1081, &end # # 51 TYR QD 67 ILE MG2 3.790 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 815, 824, igr2=1072,1073,1074, &end # # 51 TYR QD 71 ASN QB 4.550 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 815, 824, igr2=1138,1139, &end # # 51 TYR QD 73 VAL HA 3.385 (#SUP 8.89 ) &rst ixpk= 8, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, igr1= 815, 824, &end # # 51 TYR QD 73 VAL HB 4.455 (#SUP 2.93 ) &rst ixpk= 2, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 815, 824, &end # # 51 TYR QE 51 TYR QB 4.540 (#SUP 4.76 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr1= 817, 822, igr2= 811, 812, &end # # 51 TYR QE 51 TYR QD 2.810 (#SUP 5.31 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr1= 817, 822, igr2= 815, 824, &end # # 51 TYR QE 52 ALA MB 4.145 (#SUP 3.55 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 817, 822, igr2= 832, 833, 834, &end # # 51 TYR QE 67 ILE HA 3.785 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr1= 817, 822, &end # # 51 TYR QE 67 ILE QD1 4.450 (#SUP 6.26 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr1= 817, 822, igr2=1079,1080,1081, &end # # 51 TYR QE 67 ILE QG1 4.520 (#SUP 4.72 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 817, 822, igr2=1076,1077, &end # # 51 TYR QE 67 ILE MG2 3.790 (#SUP 7.52 ) &rst ixpk= 7, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 817, 822, igr2=1072,1073,1074, &end # # 51 TYR QE 71 ASN HA 4.690 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= -1,1136, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, igr1= 817, 822, &end # # 51 TYR QE 71 ASN QB 3.545 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 817, 822, igr2=1138,1139, &end # # 52 ALA HA 52 ALA MB 3.010 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= 830, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, igr2= 832, 833, 834, &end # # 52 ALA MB 52 ALA HA 2.970 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= -1, 830, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr1= 832, 833, 834, &end # # 54 LYS+ HA 54 LYS+ QB 3.185 (#SUP 3.44 ) &rst ixpk= 3, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 849, 850, &end # # 54 LYS+ HA 54 LYS+ QG 3.755 (#SUP 3.34 ) &rst ixpk= 3, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, igr2= 852, 853, &end # # 54 LYS+ HA 55 ILE QD1 4.700 (#SUP 1.14 ) &rst ixpk= 1, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr2= 880, 881, 882, &end # # 54 LYS+ QG 54 LYS+ QE 4.440 (#SUP 1.72 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 852, 853, igr2= 858, 859, &end # # 55 ILE HA 55 ILE MG2 3.140 (#SUP 2.70 ) &rst ixpk= 2, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2= 873, 874, 875, &end # # 55 ILE MG2 56 LEU HA 5.320 (#SUP 3.74 ) &rst ixpk= 3, nxpk= 0, iat= -1, 888, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1= 873, 874, 875, &end # # 56 LEU HA 65 TYR QE 4.080 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1033,1038, &end # # 57 ASN HA 57 ASN QB 3.380 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 907, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2= 909, 910, &end # # 57 ASN QB 60 THR HB 4.320 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 909, 910, &end # # 57 ASN QB 60 THR HB 4.320 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1, 947, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 909, 910, &end # # 57 ASN QB 60 THR MG2 4.755 (#SUP 1.93 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1= 909, 910, igr2= 949, 950, 951, &end # # 57 ASN QB 65 TYR QD 4.620 (#SUP 1.66 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 909, 910, igr2=1031,1040, &end # # 59 ASP- HA 59 ASP- QB 3.855 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= 933, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr2= 935, 936, &end # # 60 THR HA 60 THR HB 4.215 (#SUP 2.31 ) &rst ixpk= 2, nxpk= 0, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 60 THR HA 65 TYR QE 5.260 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 945, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2=1033,1038, &end # # 60 THR HB 65 TYR QE 3.315 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 947, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr2=1033,1038, &end # # 60 THR MG2 64 GLU- HA 4.795 (#SUP 1.30 ) &rst ixpk= 1, nxpk= 0, iat= -1,1010, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 949, 950, 951, &end # # 60 THR MG2 65 TYR QD 4.655 (#SUP 1.69 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 949, 950, 951, igr2=1031,1040, &end # # 60 THR MG2 65 TYR QE 3.555 (#SUP 6.19 ) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 949, 950, 951, igr2=1033,1038, &end # # 62 LEU HA 62 LEU HG 4.100 (#SUP 3.93 ) &rst ixpk= 3, nxpk= 0, iat= 969, 974, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 62 LEU HA 62 LEU QB 4.025 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 971, 972, &end # # 62 LEU HA 65 TYR QB 4.880 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1027,1028, &end # # 62 LEU HA 65 TYR QD 3.265 (#SUP 6.80 ) &rst ixpk= 6, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2=1031,1040, &end # # 62 LEU HA 65 TYR QE 4.260 (#SUP 5.13 ) &rst ixpk= 5, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr2=1033,1038, &end # # 63 LYS+ HA 63 LYS+ QB 3.050 (#SUP 2.95 ) &rst ixpk= 2, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, igr2= 990, 991, &end # # 63 LYS+ HA 63 LYS+ QD 4.240 (#SUP 3.01 ) &rst ixpk= 3, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr2= 996, 997, &end # # 63 LYS+ QE 64 GLU- QG 5.105 (#SUP 1.76 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93, igr1= 999,1000, igr2=1015,1016, &end # # 64 GLU- HA 64 GLU- QB 4.600 (#SUP 4.93 ) &rst ixpk= 4, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1012,1013, &end # # 64 GLU- HA 64 GLU- QG 3.630 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, igr2=1015,1016, &end # # 65 TYR HA 65 TYR QB 3.375 (#SUP 3.72 ) &rst ixpk= 3, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1027,1028, &end # # 65 TYR HA 65 TYR QD 3.085 (#SUP 5.96 ) &rst ixpk= 5, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2=1031,1040, &end # # 65 TYR HA 65 TYR QE 4.645 (#SUP 4.76 ) &rst ixpk= 4, nxpk= 0, iat=1025, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr2=1033,1038, &end # # 65 TYR QB 65 TYR QD 3.170 (#SUP 5.90 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=1027,1028, igr2=1031,1040, &end # # 65 TYR QB 65 TYR QE 4.180 (#SUP 4.30 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, igr1=1027,1028, igr2=1033,1038, &end # # 65 TYR QB 67 ILE HB 4.160 (#SUP 1.74 ) &rst ixpk= 1, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1027,1028, &end # # 65 TYR QB 67 ILE QD1 4.445 (#SUP 2.81 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1=1027,1028, igr2=1079,1080,1081, &end # # 65 TYR QB 65 TYR QD 3.170 (#SUP 5.90 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=1027,1028, igr2=1031,1040, &end # # 65 TYR QD 65 TYR QB 3.170 (#SUP 5.90 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, igr1=1031,1040, igr2=1027,1028, &end # # 65 TYR QD 65 TYR QE 2.850 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, igr1=1031,1040, igr2=1033,1038, &end # # 65 TYR QE 65 TYR QB 4.070 (#SUP 4.30 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1=1033,1038, igr2=1027,1028, &end # # 65 TYR QE 65 TYR QD 2.810 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr1=1033,1038, igr2=1031,1040, &end # # 66 LYS+ HA 66 LYS+ QB 3.360 (#SUP 3.25 ) &rst ixpk= 3, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1048,1049, &end # # 66 LYS+ HA 66 LYS+ QG 3.430 (#SUP 4.39 ) &rst ixpk= 4, nxpk= 0, iat=1046, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, igr2=1051,1052, &end # # 66 LYS+ QG 66 LYS+ QE 4.315 (#SUP 1.99 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr1=1051,1052, igr2=1057,1058, &end # # 67 ILE HA 67 ILE HB 3.925 (#SUP 5.00 ) &rst ixpk= 5, nxpk= 0, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 67 ILE HA 67 ILE QD1 3.510 (#SUP 4.31 ) &rst ixpk= 4, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1079,1080,1081, &end # # 67 ILE HA 67 ILE QG1 3.505 (#SUP 4.30 ) &rst ixpk= 4, nxpk= 0, iat=1068, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr2=1076,1077, &end # # 67 ILE HB 67 ILE QD1 4.010 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1079,1080,1081, &end # # 67 ILE HB 67 ILE MG2 2.970 (#SUP 3.81 ) &rst ixpk= 3, nxpk= 0, iat=1070, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, igr2=1072,1073,1074, &end # # 67 ILE QD1 67 ILE QG1 2.860 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr1=1079,1080,1081, igr2=1076,1077, &end # # 67 ILE QG1 67 ILE QD1 2.890 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, igr1=1076,1077, igr2=1079,1080,1081, &end # # 67 ILE MG2 67 ILE HB 2.960 (#SUP 3.81 ) &rst ixpk= 3, nxpk= 0, iat= -1,1070, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, igr1=1072,1073,1074, &end # # 67 ILE MG2 68 ASP- QB 4.655 (#SUP 2.99 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1=1072,1073,1074, igr2=1089,1090, &end # # 67 ILE MG2 69 GLU- HA 4.625 (#SUP 2.03 ) &rst ixpk= 2, nxpk= 0, iat= -1,1099, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1=1072,1073,1074, &end # # 67 ILE MG2 73 VAL HA 4.950 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60, igr1=1072,1073,1074, &end # # 67 ILE MG2 73 VAL HB 4.700 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= -1,1172, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, igr1=1072,1073,1074, &end # # 68 ASP- QB 70 LYS+ QG 4.915 (#SUP 3.34 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr1=1089,1090, igr2=1119,1120, &end # # 69 GLU- HA 69 GLU- QB 4.100 (#SUP 3.87 ) &rst ixpk= 3, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1101,1102, &end # # 69 GLU- HA 69 GLU- QG 3.610 (#SUP 3.87 ) &rst ixpk= 3, nxpk= 0, iat=1099, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, igr2=1104,1105, &end # # 70 LYS+ HA 70 LYS+ QD 3.260 (#SUP 2.00 ) &rst ixpk= 2, nxpk= 0, iat=1114, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2=1122,1123, &end # # 71 ASN HA 71 ASN QB 4.615 (#SUP 5.06 ) &rst ixpk= 5, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2=1138,1139, &end # # 71 ASN HA 72 PHE QD 4.385 (#SUP 4.09 ) &rst ixpk= 4, nxpk= 0, iat=1136, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, igr2=1156,1164, &end # # 72 PHE HA 72 PHE QB 3.355 (#SUP 5.67 ) &rst ixpk= 5, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, igr2=1152,1153, &end # # 72 PHE HA 72 PHE QD 4.155 (#SUP 6.57 ) &rst ixpk= 6, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, igr2=1156,1164, &end # # 72 PHE HA 73 VAL HA 4.985 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat=1150,1170, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 72 PHE QB 72 PHE QD 3.560 (#SUP 5.88 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1152,1153, igr2=1156,1164, &end # # 72 PHE QB 73 VAL HA 4.585 (#SUP 4.34 ) &rst ixpk= 4, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1=1152,1153, &end # # 72 PHE QB 72 PHE QD 3.560 (#SUP 5.88 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1152,1153, igr2=1156,1164, &end # # 72 PHE QD 72 PHE QB 3.560 (#SUP 5.88 ) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1=1156,1164, igr2=1152,1153, &end # # 72 PHE QD 72 PHE QE 2.950 (#SUP 3.27 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, igr1=1156,1164, igr2=1158,1162, &end # # 72 PHE QD 73 VAL HA 5.075 (#SUP 6.65 ) &rst ixpk= 6, nxpk= 0, iat= -1,1170, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1156,1164, &end # # 72 PHE QD 74 VAL HA 4.805 (#SUP 4.33 ) &rst ixpk= 4, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr1=1156,1164, &end # # 72 PHE QE 72 PHE QD 2.940 (#SUP 3.27 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr1=1158,1162, igr2=1156,1164, &end # # 74 VAL HA 74 VAL HB 4.020 (#SUP 4.84 ) &rst ixpk= 4, nxpk= 0, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 75 VAL HA 75 VAL HB 3.405 (#SUP 3.34 ) &rst ixpk= 3, nxpk= 0, iat=1202,1204, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 77 VAL HA 77 VAL HB 3.890 (#SUP 2.93 ) &rst ixpk= 2, nxpk= 0, iat=1235,1237, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 78 THR HA 78 THR HB 3.750 (#SUP 3.29 ) &rst ixpk= 3, nxpk= 0, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 78 THR HB 78 THR MG2 3.310 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat=1253, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2=1255,1256,1257, &end # # 78 THR MG2 78 THR HB 3.270 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat= -1,1253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1=1255,1256,1257, &end # # 79 LYS+ HA 79 LYS+ QB 4.130 (#SUP 2.62 ) &rst ixpk= 2, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1267,1268, &end # # 79 LYS+ HA 79 LYS+ QD 3.900 (#SUP 3.22 ) &rst ixpk= 3, nxpk= 0, iat=1265, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1273,1274, &end # # 79 LYS+ QD 80 PRO QD 4.650 (#SUP 3.41 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr1=1273,1274, igr2=1286,1287, &end # # 79 LYS+ QG 80 PRO QD 4.770 (#SUP 2.33 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1=1270,1271, igr2=1286,1287, &end # # 80 PRO HA 80 PRO QB 4.100 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat=1295, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1292,1293, &end # # 80 PRO QB 80 PRO QD 3.840 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1=1292,1293, igr2=1286,1287, &end # # 80 PRO QD 80 PRO QG 3.770 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, igr1=1286,1287, igr2=1289,1290, &end # # 80 PRO QD 80 PRO QB 3.790 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1=1286,1287, igr2=1292,1293, &end # # 80 PRO QG 80 PRO QD 3.750 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1289,1290, igr2=1286,1287, &end # # 81 LYS+ QG 81 LYS+ QE 4.935 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1306,1307, igr2=1312,1313, &end # # 3 HIS HN 3 HIS QB 4.120 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat= 22, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 26, 27, &end # # 3 HIS HN 4 MET HN 5.500 (#SUP 2.17 ) &rst ixpk= 2, nxpk= 0, iat= 22, 39, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 3 HIS QB 4 MET HN 3.480 (#SUP 2.17 ) &rst ixpk= 2, nxpk= 0, iat= -1, 39, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, igr1= 26, 27, &end # # 3 HIS QB 20 ILE HN 4.050 (#SUP 4.15 ) &rst ixpk= 4, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr1= 26, 27, &end # # 3 HIS QB 21 ASP- HN 5.420 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 26, 27, &end # # 4 MET HA 5 GLN HN 3.220 (#SUP 2.36 ) &rst ixpk= 2, nxpk= 0, iat= 41, 56, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 4 MET QB 20 ILE HN 5.500 (#SUP 3.75 ) &rst ixpk= 3, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 43, 44, &end # # 4 MET QG 20 ILE HN 5.180 (#SUP 5.69 ) &rst ixpk= 5, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 46, 47, &end # # 4 MET QG 5 GLN HN 4.450 (#SUP 3.09 ) &rst ixpk= 3, nxpk= 0, iat= -1, 56, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr1= 46, 47, &end # # 4 MET QG 20 ILE HN 5.180 (#SUP 5.69 ) &rst ixpk= 5, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31, igr1= 46, 47, &end # # 4 MET HN 4 MET QB 4.330 (#SUP 3.34 ) &rst ixpk= 3, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 43, 44, &end # # 4 MET HN 4 MET QG 4.340 (#SUP 2.72 ) &rst ixpk= 2, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 46, 47, &end # # 4 MET HN 19 ASP- HA 5.230 (#SUP 4.70 ) &rst ixpk= 4, nxpk= 0, iat= 39, 305, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end # # 4 MET HN 20 ILE HN 4.075 (#SUP 8.22 ) &rst ixpk= 8, nxpk= 0, iat= 39, 315, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 4 MET HN 20 ILE QD1 4.660 (#SUP 3.87 ) &rst ixpk= 3, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr2= 328, 329, 330, &end # # 4 MET HN 21 ASP- HN 5.500 (#SUP 4.59 ) &rst ixpk= 4, nxpk= 0, iat= 39, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 4 MET HN 22 PRO QD 4.530 (#SUP 1.49 ) &rst ixpk= 1, nxpk= 0, iat= 39, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, igr2= 347, 348, &end # # 5 GLN HA 6 VAL HN 3.030 (#SUP 4.29 ) &rst ixpk= 4, nxpk= 0, iat= 58, 73, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 5 GLN HA 18 ILE HN 4.660 (#SUP 3.52 ) &rst ixpk= 3, nxpk= 0, iat= 58, 284, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 5 GLN HA 19 ASP- HN 5.390 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 58, 303, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end # # 5 GLN HA 20 ILE HN 4.200 (#SUP 6.05 ) &rst ixpk= 6, nxpk= 0, iat= 58, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 5 GLN QE2 17 LYS+ QD 5.500 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 68, 69, igr2= 272, 273, &end # # 5 GLN QE2 17 LYS+ QD 5.500 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 68, 69, igr2= 272, 273, &end # # 5 GLN QG 5 GLN QE2 4.980 (#SUP 2.97 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr1= 63, 64, igr2= 68, 69, &end # # 5 GLN QG 6 VAL HN 4.790 (#SUP 3.21 ) &rst ixpk= 3, nxpk= 0, iat= -1, 73, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr1= 63, 64, &end # # 5 GLN HN 5 GLN HA 3.830 (#SUP 6.16 ) &rst ixpk= 6, nxpk= 0, iat= 56, 58, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 5 GLN HN 5 GLN QB 3.790 (#SUP 4.46 ) &rst ixpk= 4, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 60, 61, &end # # 5 GLN HN 5 GLN QG 3.980 (#SUP 6.01 ) &rst ixpk= 6, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2= 63, 64, &end # # 5 GLN HN 6 VAL HN 4.880 (#SUP 4.24 ) &rst ixpk= 4, nxpk= 0, iat= 56, 73, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 5 GLN HN 19 ASP- HA 5.500 (#SUP 6.49 ) &rst ixpk= 6, nxpk= 0, iat= 56, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 5 GLN HN 19 ASP- QB 4.300 (#SUP 2.61 ) &rst ixpk= 2, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 307, 308, &end # # 6 VAL HA 7 THR HN 2.990 (#SUP 3.25 ) &rst ixpk= 3, nxpk= 0, iat= 75, 89, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end # # 6 VAL HA 18 ILE HN 5.500 (#SUP 1.97 ) &rst ixpk= 1, nxpk= 0, iat= 75, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 6 VAL HB 7 THR HN 4.290 (#SUP 3.15 ) &rst ixpk= 3, nxpk= 0, iat= 77, 89, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 6 VAL HB 18 ILE HN 4.250 (#SUP 1.97 ) &rst ixpk= 1, nxpk= 0, iat= 77, 284, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 6 VAL HN 6 VAL HA 4.070 (#SUP 3.16 ) &rst ixpk= 3, nxpk= 0, iat= 73, 75, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 6 VAL HN 6 VAL HB 3.410 (#SUP 3.06 ) &rst ixpk= 3, nxpk= 0, iat= 73, 77, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 6 VAL HN 18 ILE HB 4.210 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= 73, 288, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 6 VAL HN 18 ILE HN 3.955 (#SUP 6.69 ) &rst ixpk= 6, nxpk= 0, iat= 73, 284, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 6 VAL HN 18 ILE QG1 4.880 (#SUP 2.26 ) &rst ixpk= 2, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2= 294, 295, &end # # 6 VAL HN 19 ASP- HA 4.280 (#SUP 6.32 ) &rst ixpk= 6, nxpk= 0, iat= 73, 305, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 7 THR HA 8 LEU HN 3.100 (#SUP 5.12 ) &rst ixpk= 5, nxpk= 0, iat= 91, 103, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end # # 7 THR HA 16 PHE HN 4.650 (#SUP 3.77 ) &rst ixpk= 3, nxpk= 0, iat= 91, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 7 THR HA 17 LYS+ HN 4.990 (#SUP 3.25 ) &rst ixpk= 3, nxpk= 0, iat= 91, 262, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 7 THR HB 8 LEU HN 4.940 (#SUP 3.84 ) &rst ixpk= 3, nxpk= 0, iat= 93, 103, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end # # 7 THR HB 72 PHE HN 5.270 (#SUP 5.62 ) &rst ixpk= 5, nxpk= 0, iat= 93,1148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 7 THR HB 73 VAL HN 5.110 (#SUP 4.62 ) &rst ixpk= 4, nxpk= 0, iat= 93,1168, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, &end # # 7 THR HN 7 THR HA 4.030 (#SUP 4.53 ) &rst ixpk= 4, nxpk= 0, iat= 89, 91, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 7 THR HN 7 THR HB 3.600 (#SUP 3.55 ) &rst ixpk= 3, nxpk= 0, iat= 89, 93, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 7 THR HN 7 THR MG2 4.350 (#SUP 4.00 ) &rst ixpk= 4, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr2= 95, 96, 97, &end # # 7 THR HN 8 LEU HG 4.900 (#SUP 2.26 ) &rst ixpk= 2, nxpk= 0, iat= 89, 110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 7 THR HN 17 LYS+ HA 5.480 (#SUP 2.54 ) &rst ixpk= 2, nxpk= 0, iat= 89, 264, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 7 THR HN 17 LYS+ QD 5.500 (#SUP 1.55 ) &rst ixpk= 1, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 272, 273, &end # # 7 THR HN 67 ILE MG2 5.330 (#SUP 1.45 ) &rst ixpk= 1, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2=1072,1073,1074, &end # # 7 THR HN 72 PHE HA 4.710 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= 89,1150, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 7 THR MG2 8 LEU HN 3.620 (#SUP 4.56 ) &rst ixpk= 4, nxpk= 0, iat= -1, 103, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, igr1= 95, 96, 97, &end # # 7 THR MG2 18 ILE HN 5.500 (#SUP 1.03 ) &rst ixpk= 1, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 95, 96, 97, &end # # 7 THR MG2 72 PHE HN 5.270 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 95, 96, 97, &end # # 8 LEU HA 9 LYS+ HN 3.140 (#SUP 4.82 ) &rst ixpk= 4, nxpk= 0, iat= 105, 122, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end # # 8 LEU HA 73 VAL HN 4.570 (#SUP 2.43 ) &rst ixpk= 2, nxpk= 0, iat= 105,1168, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end # # 8 LEU HA 75 VAL HN 5.500 (#SUP 1.22 ) &rst ixpk= 1, nxpk= 0, iat= 105,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU QB 9 LYS+ HN 4.660 (#SUP 4.44 ) &rst ixpk= 4, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 107, 108, &end # # 8 LEU QB 16 PHE HN 5.090 (#SUP 3.69 ) &rst ixpk= 3, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr1= 107, 108, &end # # 8 LEU QB 9 LYS+ HN 4.660 (#SUP 4.44 ) &rst ixpk= 4, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, igr1= 107, 108, &end # # 8 LEU HG 16 PHE HN 5.040 (#SUP 7.49 ) &rst ixpk= 7, nxpk= 0, iat= 110, 242, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 8 LEU HG 17 LYS+ HN 5.270 (#SUP 4.31 ) &rst ixpk= 4, nxpk= 0, iat= 110, 262, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15, &end # # 8 LEU HG 18 ILE HN 3.970 (#SUP 1.55 ) &rst ixpk= 1, nxpk= 0, iat= 110, 284, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 8 LEU HN 8 LEU HA 4.300 (#SUP 7.18 ) &rst ixpk= 7, nxpk= 0, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 8 LEU HN 8 LEU QB 4.600 (#SUP 5.75 ) &rst ixpk= 5, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 107, 108, &end # # 8 LEU HN 8 LEU HG 3.700 (#SUP 5.97 ) &rst ixpk= 5, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 8 LEU HN 9 LYS+ HN 5.500 (#SUP 4.82 ) &rst ixpk= 4, nxpk= 0, iat= 103, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HN 15 THR HA 5.500 (#SUP 2.44 ) &rst ixpk= 2, nxpk= 0, iat= 103, 230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 8 LEU HN 16 PHE HN 3.945 (#SUP 5.78 ) &rst ixpk= 5, nxpk= 0, iat= 103, 242, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 8 LEU HN 17 LYS+ HA 4.140 (#SUP 3.34 ) &rst ixpk= 3, nxpk= 0, iat= 103, 264, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 8 LEU HN 17 LYS+ QD 5.200 (#SUP 2.38 ) &rst ixpk= 2, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 272, 273, &end # # 9 LYS+ HA 10 THR HN 3.050 (#SUP 4.37 ) &rst ixpk= 4, nxpk= 0, iat= 124, 144, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end # # 9 LYS+ HA 15 THR HN 5.500 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat= 124, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 9 LYS+ HA 16 PHE HN 4.230 (#SUP 7.27 ) &rst ixpk= 7, nxpk= 0, iat= 124, 242, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 9 LYS+ QG 10 THR HN 5.500 (#SUP 2.21 ) &rst ixpk= 2, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 129, 130, &end # # 9 LYS+ QG 73 VAL HN 4.080 (#SUP 2.36 ) &rst ixpk= 2, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 129, 130, &end # # 9 LYS+ QG 10 THR HN 5.500 (#SUP 2.21 ) &rst ixpk= 2, nxpk= 0, iat= -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 129, 130, &end # # 9 LYS+ QG 14 GLN HN 5.000 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 129, 130, &end # # 9 LYS+ HN 9 LYS+ HA 4.060 (#SUP 3.61 ) &rst ixpk= 3, nxpk= 0, iat= 122, 124, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 9 LYS+ HN 9 LYS+ QB 3.680 (#SUP 2.41 ) &rst ixpk= 2, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 126, 127, &end # # 9 LYS+ HN 15 THR MG2 3.550 (#SUP 2.46 ) &rst ixpk= 2, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr2= 234, 235, 236, &end # # 9 LYS+ HN 72 PHE QB 5.500 (#SUP 2.25 ) &rst ixpk= 2, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1152,1153, &end # # 9 LYS+ HN 72 PHE QD 5.390 (#SUP 5.30 ) &rst ixpk= 5, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr2=1156,1164, &end # # 9 LYS+ HN 73 VAL HN 4.655 (#SUP 5.19 ) &rst ixpk= 5, nxpk= 0, iat= 122,1168, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 9 LYS+ HN 74 VAL HA 3.890 (#SUP 3.71 ) &rst ixpk= 3, nxpk= 0, iat= 122,1186, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 9 LYS+ QB 75 VAL HN 5.410 (#SUP 1.95 ) &rst ixpk= 1, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 126, 127, &end # # 10 THR HA 11 LEU HN 3.550 (#SUP 4.89 ) &rst ixpk= 4, nxpk= 0, iat= 146, 158, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 10 THR HA 75 VAL HN 4.130 (#SUP 3.65 ) &rst ixpk= 3, nxpk= 0, iat= 146,1200, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 10 THR HB 11 LEU HN 3.420 (#SUP 5.55 ) &rst ixpk= 5, nxpk= 0, iat= 148, 158, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 10 THR HB 12 GLN HN 4.040 (#SUP 3.92 ) &rst ixpk= 3, nxpk= 0, iat= 148, 177, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end # # 10 THR HB 13 GLN HN 5.500 (#SUP 4.42 ) &rst ixpk= 4, nxpk= 0, iat= 148, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 THR HN 10 THR HA 4.020 (#SUP 4.13 ) &rst ixpk= 4, nxpk= 0, iat= 144, 146, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 10 THR HN 10 THR HB 4.800 (#SUP 3.90 ) &rst ixpk= 3, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 10 THR HN 10 THR MG2 3.440 (#SUP 4.60 ) &rst ixpk= 4, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 150, 151, 152, &end # # 10 THR HN 11 LEU HN 5.010 (#SUP 4.51 ) &rst ixpk= 4, nxpk= 0, iat= 144, 158, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 10 THR HN 13 GLN HA 5.210 (#SUP 2.40 ) &rst ixpk= 2, nxpk= 0, iat= 144, 196, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 10 THR HN 13 GLN HN 5.220 (#SUP 6.80 ) &rst ixpk= 6, nxpk= 0, iat= 144, 194, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 10 THR HN 14 GLN HA 5.500 (#SUP 3.98 ) &rst ixpk= 3, nxpk= 0, iat= 144, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 10 THR HN 14 GLN QB 5.260 (#SUP 3.90 ) &rst ixpk= 3, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 215, 216, &end # # 10 THR HN 14 GLN HN 3.970 (#SUP 9.01 ) &rst ixpk= 9, nxpk= 0, iat= 144, 211, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 10 THR HN 14 GLN QG 5.500 (#SUP 3.98 ) &rst ixpk= 3, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 218, 219, &end # # 10 THR HN 15 THR HA 4.400 (#SUP 5.16 ) &rst ixpk= 5, nxpk= 0, iat= 144, 230, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end # # 10 THR MG2 11 LEU HN 4.350 (#SUP 5.55 ) &rst ixpk= 5, nxpk= 0, iat= -1, 158, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 150, 151, 152, &end # # 10 THR MG2 12 GLN HN 4.860 (#SUP 3.92 ) &rst ixpk= 3, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 150, 151, 152, &end # # 10 THR MG2 13 GLN HN 5.500 (#SUP 5.56 ) &rst ixpk= 5, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 150, 151, 152, &end # # 10 THR MG2 14 GLN HN 4.400 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 150, 151, 152, &end # # 10 THR MG2 16 PHE HN 5.140 (#SUP 4.26 ) &rst ixpk= 4, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 150, 151, 152, &end # # 10 THR MG2 75 VAL HN 4.790 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 150, 151, 152, &end # # 11 LEU HA 12 GLN HN 4.860 (#SUP 7.06 ) &rst ixpk= 7, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 11 LEU HA 13 GLN HN 4.660 (#SUP 4.26 ) &rst ixpk= 4, nxpk= 0, iat= 160, 194, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end # # 11 LEU HG 12 GLN QE2 5.500 (#SUP 3.60 ) &rst ixpk= 3, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 189, 190, &end # # 11 LEU HG 12 GLN HN 5.300 (#SUP 5.92 ) &rst ixpk= 5, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, &end # # 11 LEU HN 11 LEU HA 4.010 (#SUP 6.44 ) &rst ixpk= 6, nxpk= 0, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 11 LEU HN 11 LEU HG 4.080 (#SUP 6.70 ) &rst ixpk= 6, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end # # 11 LEU HN 11 LEU QB 3.260 (#SUP 6.90 ) &rst ixpk= 6, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, igr2= 162, 163, &end # # 11 LEU HN 12 GLN HN 4.350 (#SUP 8.82 ) &rst ixpk= 8, nxpk= 0, iat= 158, 177, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 11 LEU HN 12 GLN QG 5.480 (#SUP 3.60 ) &rst ixpk= 3, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 184, 185, &end # # 11 LEU HN 13 GLN HN 5.500 (#SUP 6.29 ) &rst ixpk= 6, nxpk= 0, iat= 158, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 11 LEU QB 12 GLN QE2 5.500 (#SUP 3.93 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 162, 163, igr2= 189, 190, &end # # 11 LEU QB 12 GLN HN 4.610 (#SUP 6.07 ) &rst ixpk= 6, nxpk= 0, iat= -1, 177, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr1= 162, 163, &end # # 12 GLN HA 13 GLN HN 4.100 (#SUP 6.69 ) &rst ixpk= 6, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 12 GLN QB 12 GLN QE2 5.500 (#SUP 2.03 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43, igr1= 181, 182, igr2= 189, 190, &end # # 12 GLN QB 13 GLN QE2 4.950 (#SUP 3.38 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74, igr1= 181, 182, igr2= 206, 207, &end # # 12 GLN QB 13 GLN HN 4.490 (#SUP 6.44 ) &rst ixpk= 6, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr1= 181, 182, &end # # 12 GLN QB 14 GLN HN 4.820 (#SUP 2.75 ) &rst ixpk= 2, nxpk= 0, iat= -1, 211, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr1= 181, 182, &end # # 12 GLN HN 12 GLN HA 4.200 (#SUP 6.70 ) &rst ixpk= 6, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 12 GLN HN 12 GLN QB 5.050 (#SUP 4.88 ) &rst ixpk= 4, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 181, 182, &end # # 12 GLN HN 12 GLN QE2 5.500 (#SUP 5.81 ) &rst ixpk= 5, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 189, 190, &end # # 12 GLN HN 12 GLN QG 3.910 (#SUP 6.43 ) &rst ixpk= 6, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, igr2= 184, 185, &end # # 12 GLN HN 13 GLN HA 5.200 (#SUP 4.39 ) &rst ixpk= 4, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 12 GLN HN 13 GLN HN 3.955 (#SUP 8.47 ) &rst ixpk= 8, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 12 GLN HN 14 GLN HN 4.975 (#SUP 3.13 ) &rst ixpk= 3, nxpk= 0, iat= 177, 211, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end # # 12 GLN QG 12 GLN QE2 5.350 (#SUP 3.33 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24, igr1= 184, 185, igr2= 189, 190, &end # # 13 GLN HA 14 GLN HN 3.750 (#SUP 4.67 ) &rst ixpk= 4, nxpk= 0, iat= 196, 211, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 13 GLN QG 13 GLN QE2 5.450 (#SUP 2.13 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37, igr1= 201, 202, igr2= 206, 207, &end # # 13 GLN HN 13 GLN HA 3.010 (#SUP 5.86 ) &rst ixpk= 5, nxpk= 0, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 13 GLN HN 13 GLN QE2 5.500 (#SUP 5.76 ) &rst ixpk= 5, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 206, 207, &end # # 13 GLN HN 13 GLN QG 4.180 (#SUP 6.20 ) &rst ixpk= 6, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2= 201, 202, &end # # 13 GLN HN 13 GLN QB 3.970 (#SUP 4.91 ) &rst ixpk= 4, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, igr2= 198, 199, &end # # 13 GLN HN 14 GLN HN 3.645 (#SUP 5.61 ) &rst ixpk= 5, nxpk= 0, iat= 194, 211, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 14 GLN HA 15 THR HN 2.960 (#SUP 4.93 ) &rst ixpk= 4, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 14 GLN QB 15 THR HN 4.220 (#SUP 4.70 ) &rst ixpk= 4, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 215, 216, &end # # 14 GLN HN 14 GLN HA 3.840 (#SUP 5.51 ) &rst ixpk= 5, nxpk= 0, iat= 211, 213, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 14 GLN HN 14 GLN QB 3.710 (#SUP 5.06 ) &rst ixpk= 5, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 215, 216, &end # # 14 GLN HN 14 GLN QG 3.590 (#SUP 5.48 ) &rst ixpk= 5, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, igr2= 218, 219, &end # # 14 GLN HN 15 THR HA 5.500 (#SUP 3.62 ) &rst ixpk= 3, nxpk= 0, iat= 211, 230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 14 GLN HN 15 THR HN 5.065 (#SUP 6.06 ) &rst ixpk= 6, nxpk= 0, iat= 211, 228, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, &end # # 14 GLN HN 15 THR MG2 5.420 (#SUP 3.48 ) &rst ixpk= 3, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35, igr2= 234, 235, 236, &end # # 14 GLN QG 14 GLN QE2 4.600 (#SUP 2.01 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 218, 219, igr2= 223, 224, &end # # 14 GLN QG 15 THR HN 4.170 (#SUP 6.21 ) &rst ixpk= 6, nxpk= 0, iat= -1, 228, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 218, 219, &end # # 15 THR HA 16 PHE HN 3.090 (#SUP 5.23 ) &rst ixpk= 5, nxpk= 0, iat= 230, 242, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 15 THR HB 16 PHE HN 3.760 (#SUP 4.51 ) &rst ixpk= 4, nxpk= 0, iat= 232, 242, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 15 THR HN 15 THR HA 4.070 (#SUP 6.23 ) &rst ixpk= 6, nxpk= 0, iat= 228, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 15 THR HN 15 THR HB 3.950 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 15 THR HN 15 THR MG2 3.870 (#SUP 6.00 ) &rst ixpk= 6, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr2= 234, 235, 236, &end # # 15 THR HN 16 PHE HN 5.500 (#SUP 5.22 ) &rst ixpk= 5, nxpk= 0, iat= 228, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 15 THR HN 16 PHE QD 5.500 (#SUP 6.60 ) &rst ixpk= 6, nxpk= 0, iat= 228, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 250, 258, &end # # 15 THR MG2 16 PHE HN 3.510 (#SUP 5.56 ) &rst ixpk= 5, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr1= 234, 235, 236, &end # # 15 THR MG2 17 LYS+ HN 5.340 (#SUP 2.24 ) &rst ixpk= 2, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91, igr1= 234, 235, 236, &end # # 16 PHE HA 17 LYS+ HN 3.220 (#SUP 5.77 ) &rst ixpk= 5, nxpk= 0, iat= 244, 262, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end # # 16 PHE QB 17 LYS+ HN 3.700 (#SUP 5.14 ) &rst ixpk= 5, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr1= 246, 247, &end # # 16 PHE HN 16 PHE HA 3.930 (#SUP 5.95 ) &rst ixpk= 5, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 16 PHE HN 16 PHE QB 4.800 (#SUP 5.24 ) &rst ixpk= 5, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 246, 247, &end # # 16 PHE HN 16 PHE QD 4.070 (#SUP 8.12 ) &rst ixpk= 8, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, igr2= 250, 258, &end # # 16 PHE HN 16 PHE QE 5.120 (#SUP 3.91 ) &rst ixpk= 3, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 252, 256, &end # # 16 PHE HN 17 LYS+ QG 4.900 (#SUP 2.25 ) &rst ixpk= 2, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr2= 269, 270, &end # # 16 PHE QD 17 LYS+ HN 4.130 (#SUP 8.20 ) &rst ixpk= 8, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr1= 250, 258, &end # # 16 PHE QE 33 ILE HN 5.500 (#SUP 4.50 ) &rst ixpk= 4, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 252, 256, &end # # 17 LYS+ HA 18 ILE HN 3.090 (#SUP 3.66 ) &rst ixpk= 3, nxpk= 0, iat= 264, 284, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end # # 17 LYS+ HN 17 LYS+ HA 3.950 (#SUP 5.39 ) &rst ixpk= 5, nxpk= 0, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 17 LYS+ HN 17 LYS+ QB 3.550 (#SUP 4.82 ) &rst ixpk= 4, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 266, 267, &end # # 17 LYS+ HN 17 LYS+ QD 3.720 (#SUP 3.64 ) &rst ixpk= 3, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 272, 273, &end # # 17 LYS+ HN 17 LYS+ QE 5.500 (#SUP 3.13 ) &rst ixpk= 3, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 275, 276, &end # # 17 LYS+ HN 17 LYS+ QG 3.700 (#SUP 5.38 ) &rst ixpk= 5, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2= 269, 270, &end # # 17 LYS+ HN 18 ILE QD1 5.280 (#SUP 2.88 ) &rst ixpk= 2, nxpk= 0, iat= 262, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 297, 298, 299, &end # # 17 LYS+ QB 18 ILE HN 4.570 (#SUP 2.82 ) &rst ixpk= 2, nxpk= 0, iat= -1, 284, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, igr1= 266, 267, &end # # 18 ILE HA 19 ASP- HN 2.970 (#SUP 4.33 ) &rst ixpk= 4, nxpk= 0, iat= 286, 303, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 18 ILE HB 19 ASP- HN 4.270 (#SUP 5.52 ) &rst ixpk= 5, nxpk= 0, iat= 288, 303, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 18 ILE HN 18 ILE HA 3.740 (#SUP 4.95 ) &rst ixpk= 4, nxpk= 0, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 18 ILE HN 18 ILE HB 3.240 (#SUP 5.51 ) &rst ixpk= 5, nxpk= 0, iat= 284, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end # # 18 ILE HN 18 ILE QD1 3.680 (#SUP 4.11 ) &rst ixpk= 4, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 297, 298, 299, &end # # 18 ILE HN 18 ILE QG1 4.010 (#SUP 5.03 ) &rst ixpk= 5, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, igr2= 294, 295, &end # # 18 ILE HN 18 ILE MG2 4.090 (#SUP 4.45 ) &rst ixpk= 4, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr2= 290, 291, 292, &end # # 18 ILE HN 19 ASP- HN 5.055 (#SUP 5.18 ) &rst ixpk= 5, nxpk= 0, iat= 284, 303, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 18 ILE QG1 19 ASP- HN 5.170 (#SUP 4.67 ) &rst ixpk= 4, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr1= 294, 295, &end # # 18 ILE QG1 33 ILE HN 5.380 (#SUP 0.73 ) &rst ixpk= 0, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 294, 295, &end # # 18 ILE MG2 19 ASP- HN 5.480 (#SUP 4.33 ) &rst ixpk= 4, nxpk= 0, iat= -1, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08, igr1= 290, 291, 292, &end # # 18 ILE MG2 33 ILE HN 5.270 (#SUP 1.90 ) &rst ixpk= 1, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 290, 291, 292, &end # # 19 ASP- HA 20 ILE HN 3.010 (#SUP 5.90 ) &rst ixpk= 5, nxpk= 0, iat= 305, 315, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end # # 19 ASP- HN 19 ASP- HA 3.900 (#SUP 6.95 ) &rst ixpk= 6, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 19 ASP- HN 19 ASP- QB 3.170 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 307, 308, &end # # 19 ASP- HN 20 ILE HN 5.160 (#SUP 4.73 ) &rst ixpk= 4, nxpk= 0, iat= 303, 315, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 19 ASP- HN 20 ILE QD1 5.500 (#SUP 3.02 ) &rst ixpk= 3, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 328, 329, 330, &end # # 19 ASP- HN 20 ILE MG2 3.360 (#SUP 2.93 ) &rst ixpk= 2, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 321, 322, 323, &end # # 19 ASP- HN 32 LYS+ QE 5.330 (#SUP 1.53 ) &rst ixpk= 1, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2= 521, 522, &end # # 19 ASP- QB 20 ILE HN 4.020 (#SUP 4.22 ) &rst ixpk= 4, nxpk= 0, iat= -1, 315, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr1= 307, 308, &end # # 20 ILE HA 21 ASP- HN 3.180 (#SUP 5.87 ) &rst ixpk= 5, nxpk= 0, iat= 317, 334, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 20 ILE HB 21 ASP- HN 3.310 (#SUP 5.57 ) &rst ixpk= 5, nxpk= 0, iat= 319, 334, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end # # 20 ILE HN 20 ILE HA 3.810 (#SUP 7.38 ) &rst ixpk= 7, nxpk= 0, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 20 ILE HN 20 ILE HB 3.830 (#SUP 6.02 ) &rst ixpk= 6, nxpk= 0, iat= 315, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end # # 20 ILE HN 20 ILE QD1 3.420 (#SUP 6.50 ) &rst ixpk= 6, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 328, 329, 330, &end # # 20 ILE HN 20 ILE QG1 5.040 (#SUP 5.36 ) &rst ixpk= 5, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 325, 326, &end # # 20 ILE HN 20 ILE MG2 4.160 (#SUP 6.49 ) &rst ixpk= 6, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr2= 321, 322, 323, &end # # 20 ILE HN 21 ASP- HN 5.215 (#SUP 5.93 ) &rst ixpk= 5, nxpk= 0, iat= 315, 334, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end # # 20 ILE QD1 21 ASP- HN 4.520 (#SUP 5.53 ) &rst ixpk= 5, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, igr1= 328, 329, 330, &end # # 20 ILE QD1 24 GLU- HN 5.500 (#SUP 1.69 ) &rst ixpk= 1, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 328, 329, 330, &end # # 20 ILE QD1 29 LEU HN 5.500 (#SUP 2.00 ) &rst ixpk= 2, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 328, 329, 330, &end # # 20 ILE QG1 21 ASP- HN 3.680 (#SUP 5.29 ) &rst ixpk= 5, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr1= 325, 326, &end # # 20 ILE QG1 24 GLU- HN 4.510 (#SUP 3.19 ) &rst ixpk= 3, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, igr1= 325, 326, &end # # 20 ILE QG1 29 LEU HN 5.500 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 325, 326, &end # # 20 ILE MG2 21 ASP- HN 4.010 (#SUP 5.76 ) &rst ixpk= 5, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 321, 322, 323, &end # # 20 ILE MG2 32 LYS+ HN 4.160 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 321, 322, 323, &end # # 21 ASP- HA 23 GLU- HN 4.800 (#SUP 5.62 ) &rst ixpk= 5, nxpk= 0, iat= 336, 360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 21 ASP- HA 24 GLU- HN 5.500 (#SUP 3.71 ) &rst ixpk= 3, nxpk= 0, iat= 336, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 21 ASP- QB 23 GLU- HN 4.710 (#SUP 3.76 ) &rst ixpk= 3, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 338, 339, &end # # 21 ASP- QB 24 GLU- HN 4.460 (#SUP 3.09 ) &rst ixpk= 3, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 338, 339, &end # # 21 ASP- HN 21 ASP- HA 3.860 (#SUP 5.94 ) &rst ixpk= 5, nxpk= 0, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 21 ASP- HN 21 ASP- QB 3.440 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 338, 339, &end # # 21 ASP- HN 22 PRO QD 5.200 (#SUP 2.61 ) &rst ixpk= 2, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 347, 348, &end # # 21 ASP- HN 24 GLU- QB 4.320 (#SUP 0.02 ) &rst ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr2= 379, 380, &end # # 22 PRO HA 23 GLU- HN 4.350 (#SUP 7.66 ) &rst ixpk= 7, nxpk= 0, iat= 356, 360, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end # # 22 PRO HA 24 GLU- HN 4.520 (#SUP 3.04 ) &rst ixpk= 3, nxpk= 0, iat= 356, 375, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 22 PRO HA 63 LYS+ HN 4.290 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= 356, 986, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end # # 22 PRO QB 23 GLU- HN 4.480 (#SUP 5.07 ) &rst ixpk= 5, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr1= 353, 354, &end # # 22 PRO QB 63 LYS+ HN 4.460 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr1= 353, 354, &end # # 22 PRO QD 23 GLU- HN 4.810 (#SUP 5.42 ) &rst ixpk= 5, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90, igr1= 347, 348, &end # # 22 PRO QG 23 GLU- HN 4.370 (#SUP 5.14 ) &rst ixpk= 5, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 350, 351, &end # # 23 GLU- HA 24 GLU- HN 4.250 (#SUP 5.02 ) &rst ixpk= 5, nxpk= 0, iat= 362, 375, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 23 GLU- QB 24 GLU- HN 4.250 (#SUP 4.10 ) &rst ixpk= 4, nxpk= 0, iat= -1, 375, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 364, 365, &end # # 23 GLU- HN 23 GLU- HA 3.510 (#SUP 5.79 ) &rst ixpk= 5, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 23 GLU- HN 23 GLU- QB 3.950 (#SUP 5.07 ) &rst ixpk= 5, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 364, 365, &end # # 23 GLU- HN 23 GLU- QG 3.760 (#SUP 4.52 ) &rst ixpk= 4, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, igr2= 367, 368, &end # # 23 GLU- HN 24 GLU- HA 5.500 (#SUP 2.98 ) &rst ixpk= 2, nxpk= 0, iat= 360, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 23 GLU- HN 24 GLU- HN 3.345 (#SUP 5.84 ) &rst ixpk= 5, nxpk= 0, iat= 360, 375, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 23 GLU- HN 61 ALA MB 5.500 (#SUP 1.27 ) &rst ixpk= 1, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 961, 962, 963, &end # # 23 GLU- HN 63 LYS+ QG 5.500 (#SUP 0.89 ) &rst ixpk= 0, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 993, 994, &end # # 23 GLU- HN 63 LYS+ QD 5.040 (#SUP 3.28 ) &rst ixpk= 3, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16, igr2= 996, 997, &end # # 24 GLU- HA 25 THR HN 3.110 (#SUP 2.60 ) &rst ixpk= 2, nxpk= 0, iat= 377, 390, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end # # 24 GLU- HN 24 GLU- HA 3.720 (#SUP 4.25 ) &rst ixpk= 4, nxpk= 0, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 24 GLU- HN 24 GLU- QB 2.920 (#SUP 3.15 ) &rst ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, igr2= 379, 380, &end # # 24 GLU- HN 24 GLU- QG 3.640 (#SUP 3.55 ) &rst ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 382, 383, &end # # 24 GLU- HN 61 ALA MB 5.500 (#SUP 3.60 ) &rst ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 961, 962, 963, &end # # 24 GLU- HN 62 LEU HG 4.890 (#SUP 2.57 ) &rst ixpk= 2, nxpk= 0, iat= 375, 974, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 24 GLU- HN 62 LEU HN 5.500 (#SUP 5.26 ) &rst ixpk= 5, nxpk= 0, iat= 375, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 24 GLU- HN 62 LEU QB 4.140 (#SUP 2.54 ) &rst ixpk= 2, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2= 971, 972, &end # # 24 GLU- HN 63 LYS+ QD 5.130 (#SUP 3.28 ) &rst ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr2= 996, 997, &end # # 24 GLU- QB 62 LEU HN 5.500 (#SUP 1.21 ) &rst ixpk= 1, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 379, 380, &end # # 24 GLU- QG 25 THR HN 4.990 (#SUP 2.24 ) &rst ixpk= 2, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, igr1= 382, 383, &end # # 25 THR HA 26 VAL HN 3.390 (#SUP 4.55 ) &rst ixpk= 4, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end # # 25 THR HA 27 LYS+ HN 4.390 (#SUP 3.59 ) &rst ixpk= 3, nxpk= 0, iat= 392, 420, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 25 THR HA 60 THR HN 4.610 (#SUP 4.35 ) &rst ixpk= 4, nxpk= 0, iat= 392, 943, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end # # 25 THR HA 61 ALA HN 4.640 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 392, 957, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 25 THR HA 62 LEU HN 3.760 (#SUP 5.99 ) &rst ixpk= 5, nxpk= 0, iat= 392, 967, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end # # 25 THR HB 26 VAL HN 3.470 (#SUP 4.55 ) &rst ixpk= 4, nxpk= 0, iat= 394, 404, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end # # 25 THR HB 27 LYS+ HN 3.700 (#SUP 4.82 ) &rst ixpk= 4, nxpk= 0, iat= 394, 420, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 25 THR HB 28 ALA HN 4.810 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 394, 442, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 25 THR HB 60 THR HN 5.450 (#SUP 2.67 ) &rst ixpk= 2, nxpk= 0, iat= 394, 943, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end # # 25 THR HN 25 THR HA 3.940 (#SUP 2.87 ) &rst ixpk= 2, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 25 THR HN 25 THR HB 4.690 (#SUP 2.87 ) &rst ixpk= 2, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 25 THR HN 25 THR MG2 3.380 (#SUP 2.92 ) &rst ixpk= 2, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 396, 397, 398, &end # # 25 THR HN 28 ALA HN 5.050 (#SUP 3.86 ) &rst ixpk= 3, nxpk= 0, iat= 390, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 25 THR HN 28 ALA MB 3.540 (#SUP 1.40 ) &rst ixpk= 1, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, igr2= 446, 447, 448, &end # # 25 THR HN 61 ALA MB 5.500 (#SUP 2.88 ) &rst ixpk= 2, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 961, 962, 963, &end # # 25 THR HN 62 LEU HN 5.500 (#SUP 4.45 ) &rst ixpk= 4, nxpk= 0, iat= 390, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 25 THR MG2 26 VAL HN 4.320 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= -1, 404, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 396, 397, 398, &end # # 25 THR MG2 59 ASP- HN 5.330 (#SUP 1.56 ) &rst ixpk= 1, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 396, 397, 398, &end # # 26 VAL HA 27 LYS+ HN 4.870 (#SUP 7.32 ) &rst ixpk= 7, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end # # 26 VAL HA 28 ALA HN 5.340 (#SUP 6.70 ) &rst ixpk= 6, nxpk= 0, iat= 406, 442, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end # # 26 VAL HA 29 LEU HN 4.160 (#SUP 5.89 ) &rst ixpk= 5, nxpk= 0, iat= 406, 452, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end # # 26 VAL HA 30 LYS+ HN 4.990 (#SUP 3.66 ) &rst ixpk= 3, nxpk= 0, iat= 406, 471, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end # # 26 VAL HA 62 LEU HN 5.500 (#SUP 2.60 ) &rst ixpk= 2, nxpk= 0, iat= 406, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 VAL HB 27 LYS+ HN 3.700 (#SUP 5.71 ) &rst ixpk= 5, nxpk= 0, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 26 VAL HB 57 ASN HN 5.500 (#SUP 1.40 ) &rst ixpk= 1, nxpk= 0, iat= 408, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 VAL HB 60 THR HN 4.670 (#SUP 2.48 ) &rst ixpk= 2, nxpk= 0, iat= 408, 943, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end # # 26 VAL HN 26 VAL HA 4.010 (#SUP 4.82 ) &rst ixpk= 4, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 26 VAL HN 26 VAL HB 3.410 (#SUP 4.68 ) &rst ixpk= 4, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 26 VAL HN 27 LYS+ HN 3.935 (#SUP 8.37 ) &rst ixpk= 8, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 26 VAL HN 28 ALA HN 5.290 (#SUP 3.73 ) &rst ixpk= 3, nxpk= 0, iat= 404, 442, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 26 VAL HN 58 ASP- HA 3.660 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= 404, 921, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end # # 26 VAL HN 60 THR HB 5.500 (#SUP 1.70 ) &rst ixpk= 1, nxpk= 0, iat= 404, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 VAL HN 60 THR HN 5.040 (#SUP 6.98 ) &rst ixpk= 6, nxpk= 0, iat= 404, 943, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 26 VAL HN 61 ALA HN 5.500 (#SUP 4.96 ) &rst ixpk= 4, nxpk= 0, iat= 404, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 VAL HN 61 ALA MB 5.170 (#SUP 4.17 ) &rst ixpk= 4, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 961, 962, 963, &end # # 26 VAL HN 62 LEU HA 5.500 (#SUP 2.59 ) &rst ixpk= 2, nxpk= 0, iat= 404, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 26 VAL HN 62 LEU HN 4.850 (#SUP 5.22 ) &rst ixpk= 5, nxpk= 0, iat= 404, 967, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 26 VAL HN 65 TYR QE 5.480 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2=1033,1038, &end # # 27 LYS+ HA 28 ALA HN 4.540 (#SUP 4.98 ) &rst ixpk= 4, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end # # 27 LYS+ HA 29 LEU HN 5.500 (#SUP 3.91 ) &rst ixpk= 3, nxpk= 0, iat= 422, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 LYS+ HA 30 LYS+ HN 4.250 (#SUP 3.49 ) &rst ixpk= 3, nxpk= 0, iat= 422, 471, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 27 LYS+ QG 28 ALA HN 4.970 (#SUP 3.20 ) &rst ixpk= 3, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08, igr1= 427, 428, &end # # 27 LYS+ HN 27 LYS+ HA 3.860 (#SUP 6.70 ) &rst ixpk= 6, nxpk= 0, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 27 LYS+ HN 27 LYS+ QG 4.800 (#SUP 5.37 ) &rst ixpk= 5, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, igr2= 427, 428, &end # # 27 LYS+ HN 27 LYS+ QB 3.060 (#SUP 3.87 ) &rst ixpk= 3, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, igr2= 424, 425, &end # # 27 LYS+ HN 27 LYS+ QD 4.520 (#SUP 4.55 ) &rst ixpk= 4, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57, igr2= 430, 431, &end # # 27 LYS+ HN 28 ALA HN 3.935 (#SUP 6.24 ) &rst ixpk= 6, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end # # 27 LYS+ HN 29 LEU HN 5.500 (#SUP 5.60 ) &rst ixpk= 5, nxpk= 0, iat= 420, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 27 LYS+ HN 30 LYS+ HN 5.020 (#SUP 5.25 ) &rst ixpk= 5, nxpk= 0, iat= 420, 471, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 27 LYS+ HN 30 LYS+ QB 5.500 (#SUP 1.46 ) &rst ixpk= 1, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 475, 476, &end # # 27 LYS+ HN 58 ASP- HA 3.620 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= 420, 921, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end # # 28 ALA HA 29 LEU HN 4.630 (#SUP 5.06 ) &rst ixpk= 5, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 28 ALA HA 30 LYS+ HN 5.500 (#SUP 4.92 ) &rst ixpk= 4, nxpk= 0, iat= 444, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 ALA HA 31 GLU- HN 4.010 (#SUP 4.31 ) &rst ixpk= 4, nxpk= 0, iat= 444, 493, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 28 ALA HN 28 ALA HA 3.650 (#SUP 3.42 ) &rst ixpk= 3, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 28 ALA HN 28 ALA MB 3.020 (#SUP 4.12 ) &rst ixpk= 4, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2= 446, 447, 448, &end # # 28 ALA HN 29 LEU HA 5.500 (#SUP 5.57 ) &rst ixpk= 5, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 ALA HN 29 LEU QB 5.100 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, igr2= 456, 457, &end # # 28 ALA HN 29 LEU HN 3.730 (#SUP 7.84 ) &rst ixpk= 7, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 28 ALA HN 30 LYS+ HN 5.370 (#SUP 8.23 ) &rst ixpk= 8, nxpk= 0, iat= 442, 471, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end # # 28 ALA HN 31 GLU- HN 5.500 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= 442, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 28 ALA HN 31 GLU- QG 5.500 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 500, 501, &end # # 28 ALA MB 29 LEU HN 3.520 (#SUP 4.57 ) &rst ixpk= 4, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, igr1= 446, 447, 448, &end # # 29 LEU HA 30 LYS+ HN 4.760 (#SUP 6.55 ) &rst ixpk= 6, nxpk= 0, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 29 LEU HA 31 GLU- HN 5.500 (#SUP 5.11 ) &rst ixpk= 5, nxpk= 0, iat= 454, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 29 LEU HA 32 LYS+ HN 4.070 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 454, 508, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end # # 29 LEU HA 33 ILE HN 5.030 (#SUP 2.65 ) &rst ixpk= 2, nxpk= 0, iat= 454, 530, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 29 LEU QB 30 LYS+ HN 3.860 (#SUP 4.60 ) &rst ixpk= 4, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, igr1= 456, 457, &end # # 29 LEU HN 29 LEU HA 3.880 (#SUP 7.53 ) &rst ixpk= 7, nxpk= 0, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 29 LEU HN 29 LEU QB 4.080 (#SUP 5.43 ) &rst ixpk= 5, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2= 456, 457, &end # # 29 LEU HN 29 LEU HG 3.430 (#SUP 5.07 ) &rst ixpk= 5, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 3.15, r4= 4.65, &end # # 29 LEU HN 30 LYS+ HN 3.735 (#SUP 7.53 ) &rst ixpk= 7, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 29 LEU HN 30 LYS+ QB 4.500 (#SUP 3.22 ) &rst ixpk= 3, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2= 475, 476, &end # # 29 LEU HN 31 GLU- HN 5.375 (#SUP 4.71 ) &rst ixpk= 4, nxpk= 0, iat= 452, 493, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 29 LEU HN 32 LYS+ QB 5.240 (#SUP 1.11 ) &rst ixpk= 1, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, igr2= 512, 513, &end # # 30 LYS+ HA 32 LYS+ HN 5.280 (#SUP 4.98 ) &rst ixpk= 4, nxpk= 0, iat= 473, 508, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 30 LYS+ HA 33 ILE HN 4.580 (#SUP 3.94 ) &rst ixpk= 3, nxpk= 0, iat= 473, 530, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end # # 30 LYS+ HA 34 GLU- HN 5.010 (#SUP 1.33 ) &rst ixpk= 1, nxpk= 0, iat= 473, 549, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end # # 30 LYS+ HN 30 LYS+ HA 4.140 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 471, 473, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 30 LYS+ HN 30 LYS+ QB 3.570 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 475, 476, &end # # 30 LYS+ HN 31 GLU- HN 4.030 (#SUP 4.90 ) &rst ixpk= 4, nxpk= 0, iat= 471, 493, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end # # 30 LYS+ HN 31 GLU- QG 4.610 (#SUP 2.07 ) &rst ixpk= 2, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, igr2= 500, 501, &end # # 30 LYS+ QD 31 GLU- HN 3.710 (#SUP 3.51 ) &rst ixpk= 3, nxpk= 0, iat= -1, 493, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr1= 481, 482, &end # # 31 GLU- HA 32 LYS+ HN 4.310 (#SUP 5.82 ) &rst ixpk= 5, nxpk= 0, iat= 495, 508, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end # # 31 GLU- QB 32 LYS+ HN 3.550 (#SUP 3.67 ) &rst ixpk= 3, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr1= 497, 498, &end # # 31 GLU- HN 31 GLU- HA 3.720 (#SUP 3.44 ) &rst ixpk= 3, nxpk= 0, iat= 493, 495, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 31 GLU- HN 31 GLU- QG 3.470 (#SUP 3.31 ) &rst ixpk= 3, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2= 500, 501, &end # # 31 GLU- HN 32 LYS+ HN 3.870 (#SUP 5.25 ) &rst ixpk= 5, nxpk= 0, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end # # 31 GLU- QG 32 LYS+ HN 4.710 (#SUP 4.66 ) &rst ixpk= 4, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, igr1= 500, 501, &end # # 32 LYS+ HA 33 ILE HN 4.810 (#SUP 6.25 ) &rst ixpk= 6, nxpk= 0, iat= 510, 530, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end # # 32 LYS+ HA 34 GLU- HN 4.860 (#SUP 3.29 ) &rst ixpk= 3, nxpk= 0, iat= 510, 549, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end # # 32 LYS+ HN 32 LYS+ HA 3.570 (#SUP 4.67 ) &rst ixpk= 4, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 32 LYS+ HN 32 LYS+ QB 2.990 (#SUP 5.23 ) &rst ixpk= 5, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, igr2= 512, 513, &end # # 32 LYS+ HN 32 LYS+ QD 4.060 (#SUP 5.24 ) &rst ixpk= 5, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2= 518, 519, &end # # 32 LYS+ HN 32 LYS+ QE 5.500 (#SUP 4.19 ) &rst ixpk= 4, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 521, 522, &end # # 32 LYS+ HN 32 LYS+ QG 4.220 (#SUP 6.10 ) &rst ixpk= 6, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2= 515, 516, &end # # 32 LYS+ HN 33 ILE HN 3.685 (#SUP 7.41 ) &rst ixpk= 7, nxpk= 0, iat= 508, 530, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 32 LYS+ QB 33 ILE HN 3.840 (#SUP 5.50 ) &rst ixpk= 5, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr1= 512, 513, &end # # 32 LYS+ QD 33 ILE HN 4.640 (#SUP 6.25 ) &rst ixpk= 6, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, igr1= 518, 519, &end # # 32 LYS+ QD 34 GLU- HN 5.390 (#SUP 3.27 ) &rst ixpk= 3, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 518, 519, &end # # 32 LYS+ QG 33 ILE HN 4.550 (#SUP 7.24 ) &rst ixpk= 7, nxpk= 0, iat= -1, 530, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61, igr1= 515, 516, &end # # 32 LYS+ QG 34 GLU- HN 5.210 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 515, 516, &end # # 32 LYS+ QG 35 SER HN 5.500 (#SUP 1.82 ) &rst ixpk= 1, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 515, 516, &end # # 33 ILE HA 34 GLU- HN 4.710 (#SUP 6.20 ) &rst ixpk= 6, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end # # 33 ILE HA 35 SER HN 5.500 (#SUP 3.85 ) &rst ixpk= 3, nxpk= 0, iat= 532, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ILE HA 36 GLU- HN 4.500 (#SUP 2.63 ) &rst ixpk= 2, nxpk= 0, iat= 532, 575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 33 ILE HA 37 LYS+ HN 5.030 (#SUP 2.31 ) &rst ixpk= 2, nxpk= 0, iat= 532, 590, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 33 ILE QG1 34 GLU- HN 4.700 (#SUP 5.18 ) &rst ixpk= 5, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, igr1= 540, 541, &end # # 33 ILE HN 33 ILE HA 4.010 (#SUP 7.45 ) &rst ixpk= 7, nxpk= 0, iat= 530, 532, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 33 ILE HN 33 ILE HB 3.400 (#SUP 6.25 ) &rst ixpk= 6, nxpk= 0, iat= 530, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 33 ILE HN 33 ILE QG1 3.680 (#SUP 7.65 ) &rst ixpk= 7, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, igr2= 540, 541, &end # # 33 ILE HN 33 ILE QD1 4.050 (#SUP 7.05 ) &rst ixpk= 7, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, igr2= 543, 544, 545, &end # # 33 ILE HN 33 ILE MG2 3.660 (#SUP 4.83 ) &rst ixpk= 4, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2= 536, 537, 538, &end # # 33 ILE HN 34 GLU- HN 3.850 (#SUP 9.06 ) &rst ixpk= 9, nxpk= 0, iat= 530, 549, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end # # 33 ILE HN 35 SER HN 5.500 (#SUP 5.11 ) &rst ixpk= 5, nxpk= 0, iat= 530, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 33 ILE HN 47 GLN QE2 4.590 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= 530, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr2= 742, 743, &end # # 33 ILE QD1 34 GLU- HN 4.350 (#SUP 6.33 ) &rst ixpk= 6, nxpk= 0, iat= -1, 549, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 543, 544, 545, &end # # 33 ILE QD1 35 SER HN 5.500 (#SUP 4.64 ) &rst ixpk= 4, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 543, 544, 545, &end # # 33 ILE QD1 36 GLU- HN 5.500 (#SUP 5.17 ) &rst ixpk= 5, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 543, 544, 545, &end # # 33 ILE QD1 37 LYS+ HN 5.060 (#SUP 6.83 ) &rst ixpk= 6, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1= 543, 544, 545, &end # # 33 ILE QD1 38 GLY HN 5.500 (#SUP 5.35 ) &rst ixpk= 5, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 543, 544, 545, &end # # 33 ILE QD1 42 PHE HN 5.310 (#SUP 5.87 ) &rst ixpk= 5, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 543, 544, 545, &end # # 34 GLU- HA 35 SER HN 4.210 (#SUP 5.62 ) &rst ixpk= 5, nxpk= 0, iat= 551, 564, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 34 GLU- HA 36 GLU- HN 5.500 (#SUP 2.94 ) &rst ixpk= 2, nxpk= 0, iat= 551, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 34 GLU- HA 37 LYS+ HN 5.080 (#SUP 4.62 ) &rst ixpk= 4, nxpk= 0, iat= 551, 590, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end # # 34 GLU- HA 38 GLY HN 4.520 (#SUP 4.80 ) &rst ixpk= 4, nxpk= 0, iat= 551, 612, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 34 GLU- HA 42 PHE HN 5.190 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= 551, 663, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 34 GLU- QB 35 SER HN 4.170 (#SUP 4.04 ) &rst ixpk= 4, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 553, 554, &end # # 34 GLU- QB 39 LYS+ HN 5.060 (#SUP 2.58 ) &rst ixpk= 2, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 553, 554, &end # # 34 GLU- QB 35 SER HN 4.170 (#SUP 4.04 ) &rst ixpk= 4, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr1= 553, 554, &end # # 34 GLU- HN 34 GLU- HA 3.720 (#SUP 5.01 ) &rst ixpk= 5, nxpk= 0, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 34 GLU- HN 34 GLU- QB 3.600 (#SUP 3.21 ) &rst ixpk= 3, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, igr2= 553, 554, &end # # 34 GLU- HN 35 SER QB 5.060 (#SUP 2.26 ) &rst ixpk= 2, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2= 568, 569, &end # # 34 GLU- HN 47 GLN QE2 4.160 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= 549, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, igr2= 742, 743, &end # # 34 GLU- QG 35 SER HN 4.410 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat= -1, 564, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 556, 557, &end # # 34 GLU- QG 38 GLY HN 5.070 (#SUP 3.91 ) &rst ixpk= 3, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1= 556, 557, &end # # 34 GLU- QG 39 LYS+ HN 4.960 (#SUP 1.96 ) &rst ixpk= 1, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr1= 556, 557, &end # # 34 GLU- QG 42 PHE HN 5.410 (#SUP 2.31 ) &rst ixpk= 2, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1= 556, 557, &end # # 35 SER HA 38 GLY HN 4.760 (#SUP 2.30 ) &rst ixpk= 2, nxpk= 0, iat= 566, 612, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end # # 35 SER HN 35 SER HA 3.360 (#SUP 2.11 ) &rst ixpk= 2, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end # # 35 SER HN 35 SER QB 3.170 (#SUP 3.13 ) &rst ixpk= 3, nxpk= 0, iat= 564, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 568, 569, &end # # 35 SER HN 37 LYS+ HN 5.500 (#SUP 4.19 ) &rst ixpk= 4, nxpk= 0, iat= 564, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 SER HN 38 GLY HN 5.500 (#SUP 4.70 ) &rst ixpk= 4, nxpk= 0, iat= 564, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 35 SER QB 36 GLU- HN 3.580 (#SUP 4.16 ) &rst ixpk= 4, nxpk= 0, iat= -1, 575, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, igr1= 568, 569, &end # # 35 SER QB 37 LYS+ HN 5.500 (#SUP 3.68 ) &rst ixpk= 3, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 568, 569, &end # # 36 GLU- HA 37 LYS+ HN 4.330 (#SUP 5.21 ) &rst ixpk= 5, nxpk= 0, iat= 577, 590, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end # # 36 GLU- HN 36 GLU- HA 3.420 (#SUP 4.10 ) &rst ixpk= 4, nxpk= 0, iat= 575, 577, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end # # 36 GLU- HN 36 GLU- QB 3.080 (#SUP 4.47 ) &rst ixpk= 4, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, igr2= 579, 580, &end # # 36 GLU- HN 36 GLU- QG 3.720 (#SUP 4.81 ) &rst ixpk= 4, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 582, 583, &end # # 36 GLU- HN 37 LYS+ QB 5.240 (#SUP 5.07 ) &rst ixpk= 5, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr2= 594, 595, &end # # 36 GLU- HN 37 LYS+ QD 5.500 (#SUP 5.43 ) &rst ixpk= 5, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 600, 601, &end # # 36 GLU- HN 37 LYS+ HN 3.645 (#SUP 9.14 ) &rst ixpk= 9, nxpk= 0, iat= 575, 590, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 36 GLU- HN 38 GLY HN 5.185 (#SUP 6.74 ) &rst ixpk= 6, nxpk= 0, iat= 575, 612, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 36 GLU- QB 37 LYS+ HN 3.540 (#SUP 6.94 ) &rst ixpk= 6, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, igr1= 579, 580, &end # # 36 GLU- QB 38 GLY HN 4.470 (#SUP 4.89 ) &rst ixpk= 4, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, igr1= 579, 580, &end # # 36 GLU- QG 37 LYS+ HN 4.940 (#SUP 5.77 ) &rst ixpk= 5, nxpk= 0, iat= -1, 590, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04, igr1= 582, 583, &end # # 37 LYS+ HA 38 GLY HN 4.360 (#SUP 7.03 ) &rst ixpk= 7, nxpk= 0, iat= 592, 612, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end # # 37 LYS+ QB 38 GLY HN 4.650 (#SUP 6.76 ) &rst ixpk= 6, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 594, 595, &end # # 37 LYS+ QB 42 PHE HN 5.500 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 594, 595, &end # # 37 LYS+ QB 38 GLY HN 4.650 (#SUP 6.76 ) &rst ixpk= 6, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, igr1= 594, 595, &end # # 37 LYS+ QD 38 GLY HN 5.350 (#SUP 7.36 ) &rst ixpk= 7, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr1= 600, 601, &end # # 37 LYS+ HN 37 LYS+ HA 3.970 (#SUP 7.63 ) &rst ixpk= 7, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 37 LYS+ HN 37 LYS+ QB 4.040 (#SUP 7.32 ) &rst ixpk= 7, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, igr2= 594, 595, &end # # 37 LYS+ HN 37 LYS+ QD 4.490 (#SUP 8.12 ) &rst ixpk= 8, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, igr2= 600, 601, &end # # 37 LYS+ HN 37 LYS+ QG 4.250 (#SUP 8.64 ) &rst ixpk= 8, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr2= 597, 598, &end # # 37 LYS+ HN 38 GLY QA 5.320 (#SUP 3.77 ) &rst ixpk= 3, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr2= 614, 615, &end # # 37 LYS+ HN 38 GLY HN 3.270 (#SUP 9.74 ) &rst ixpk= 9, nxpk= 0, iat= 590, 612, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end # # 37 LYS+ HN 42 PHE QD 5.070 (#SUP 5.25 ) &rst ixpk= 5, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr2= 671, 679, &end # # 37 LYS+ QG 38 GLY HN 5.320 (#SUP 8.01 ) &rst ixpk= 8, nxpk= 0, iat= -1, 612, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 597, 598, &end # # 38 GLY QA 39 LYS+ HN 3.500 (#SUP 3.55 ) &rst ixpk= 3, nxpk= 0, iat= -1, 619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, igr1= 614, 615, &end # # 38 GLY QA 40 ASP- HN 4.370 (#SUP 4.19 ) &rst ixpk= 4, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1= 614, 615, &end # # 38 GLY QA 41 ALA HN 4.980 (#SUP 3.25 ) &rst ixpk= 3, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09, igr1= 614, 615, &end # # 38 GLY HN 38 GLY QA 3.460 (#SUP 4.80 ) &rst ixpk= 4, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, igr2= 614, 615, &end # # 38 GLY HN 39 LYS+ HN 4.390 (#SUP 3.55 ) &rst ixpk= 3, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 38 GLY HN 40 ASP- HN 5.500 (#SUP 3.55 ) &rst ixpk= 3, nxpk= 0, iat= 612, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 38 GLY HN 41 ALA MB 5.500 (#SUP 3.35 ) &rst ixpk= 3, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2= 657, 658, 659, &end # # 38 GLY HN 42 PHE QB 5.500 (#SUP 1.47 ) &rst ixpk= 1, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 667, 668, &end # # 38 GLY HN 42 PHE QD 5.500 (#SUP 8.62 ) &rst ixpk= 8, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 671, 679, &end # # 39 LYS+ HA 40 ASP- HN 3.920 (#SUP 4.51 ) &rst ixpk= 4, nxpk= 0, iat= 621, 641, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 39 LYS+ HA 41 ALA HN 4.900 (#SUP 4.78 ) &rst ixpk= 4, nxpk= 0, iat= 621, 653, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 39 LYS+ HA 42 PHE HN 4.430 (#SUP 5.88 ) &rst ixpk= 5, nxpk= 0, iat= 621, 663, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end # # 39 LYS+ HA 44 VAL HN 5.020 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 621, 697, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 39 LYS+ HN 39 LYS+ QB 3.440 (#SUP 5.02 ) &rst ixpk= 5, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, igr2= 623, 624, &end # # 39 LYS+ HN 39 LYS+ QD 4.300 (#SUP 3.42 ) &rst ixpk= 3, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33, igr2= 629, 630, &end # # 39 LYS+ HN 39 LYS+ QE 5.500 (#SUP 3.97 ) &rst ixpk= 3, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 632, 633, &end # # 39 LYS+ HN 39 LYS+ QG 3.840 (#SUP 4.57 ) &rst ixpk= 4, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, igr2= 626, 627, &end # # 39 LYS+ HN 40 ASP- HA 5.500 (#SUP 3.17 ) &rst ixpk= 3, nxpk= 0, iat= 619, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 LYS+ HN 40 ASP- QB 5.500 (#SUP 3.14 ) &rst ixpk= 3, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 645, 646, &end # # 39 LYS+ HN 41 ALA HN 5.500 (#SUP 4.84 ) &rst ixpk= 4, nxpk= 0, iat= 619, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 39 LYS+ QB 40 ASP- HN 4.000 (#SUP 4.86 ) &rst ixpk= 4, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 623, 624, &end # # 39 LYS+ QB 41 ALA HN 5.500 (#SUP 4.78 ) &rst ixpk= 4, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 623, 624, &end # # 39 LYS+ QB 42 PHE HN 5.500 (#SUP 4.11 ) &rst ixpk= 4, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 623, 624, &end # # 39 LYS+ QB 44 VAL HN 5.500 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 623, 624, &end # # 39 LYS+ QD 42 PHE HN 5.500 (#SUP 1.53 ) &rst ixpk= 1, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 629, 630, &end # # 39 LYS+ QD 44 VAL HN 5.060 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr1= 629, 630, &end # # 39 LYS+ QE 40 ASP- HN 5.500 (#SUP 3.11 ) &rst ixpk= 3, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 632, 633, &end # # 39 LYS+ QG 40 ASP- HN 4.270 (#SUP 4.31 ) &rst ixpk= 4, nxpk= 0, iat= -1, 641, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 626, 627, &end # # 40 ASP- HA 41 ALA HN 4.500 (#SUP 5.08 ) &rst ixpk= 5, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end # # 40 ASP- HA 42 PHE HN 5.500 (#SUP 3.31 ) &rst ixpk= 3, nxpk= 0, iat= 643, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 40 ASP- HN 40 ASP- HA 3.640 (#SUP 3.70 ) &rst ixpk= 3, nxpk= 0, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end # # 40 ASP- HN 40 ASP- QB 3.170 (#SUP 3.70 ) &rst ixpk= 3, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, igr2= 645, 646, &end # # 40 ASP- HN 41 ALA HN 3.505 (#SUP 6.55 ) &rst ixpk= 6, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 40 ASP- HN 41 ALA MB 4.540 (#SUP 2.49 ) &rst ixpk= 2, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr2= 657, 658, 659, &end # # 40 ASP- HN 42 PHE HN 5.035 (#SUP 5.20 ) &rst ixpk= 5, nxpk= 0, iat= 641, 663, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end # # 40 ASP- QB 41 ALA HN 3.650 (#SUP 3.86 ) &rst ixpk= 3, nxpk= 0, iat= -1, 653, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, igr1= 645, 646, &end # # 41 ALA HA 42 PHE HN 4.180 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end # # 41 ALA HN 41 ALA HA 3.810 (#SUP 4.11 ) &rst ixpk= 4, nxpk= 0, iat= 653, 655, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end # # 41 ALA HN 41 ALA MB 3.290 (#SUP 5.79 ) &rst ixpk= 5, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, igr2= 657, 658, 659, &end # # 41 ALA HN 42 PHE HN 3.405 (#SUP 6.66 ) &rst ixpk= 6, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end # # 41 ALA HN 42 PHE QD 4.950 (#SUP 5.93 ) &rst ixpk= 5, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 671, 679, &end # # 41 ALA HN 43 PRO QD 4.730 (#SUP 1.04 ) &rst ixpk= 1, nxpk= 0, iat= 653, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, igr2= 684, 685, &end # # 41 ALA MB 42 PHE HN 3.550 (#SUP 7.13 ) &rst ixpk= 7, nxpk= 0, iat= -1, 663, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, igr1= 657, 658, 659, &end # # 42 PHE HN 42 PHE HA 3.840 (#SUP 6.73 ) &rst ixpk= 6, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end # # 42 PHE HN 42 PHE QB 4.020 (#SUP 5.80 ) &rst ixpk= 5, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2= 667, 668, &end # # 42 PHE HN 42 PHE QD 3.950 (#SUP 8.37 ) &rst ixpk= 8, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 671, 679, &end # # 42 PHE HN 42 PHE QE 5.500 (#SUP 5.69 ) &rst ixpk= 5, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 673, 677, &end # # 42 PHE HN 43 PRO HA 5.500 (#SUP 4.62 ) &rst ixpk= 4, nxpk= 0, iat= 663, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 42 PHE HN 43 PRO QB 5.480 (#SUP 3.24 ) &rst ixpk= 3, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr2= 690, 691, &end # # 42 PHE HN 43 PRO QG 5.230 (#SUP 3.31 ) &rst ixpk= 3, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37, igr2= 687, 688, &end # # 43 PRO HA 44 VAL HN 3.250 (#SUP 5.32 ) &rst ixpk= 5, nxpk= 0, iat= 693, 697, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end # # 43 PRO HA 45 ALA HN 5.000 (#SUP 3.82 ) &rst ixpk= 3, nxpk= 0, iat= 693, 713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end # # 43 PRO QB 46 GLY HN 4.870 (#SUP 5.30 ) &rst ixpk= 5, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 690, 691, &end # # 43 PRO QB 44 VAL HN 4.360 (#SUP 3.26 ) &rst ixpk= 3, nxpk= 0, iat= -1, 697, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, igr1= 690, 691, &end # # 43 PRO QB 45 ALA HN 4.720 (#SUP 4.22 ) &rst ixpk= 4, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr1= 690, 691, &end # # 43 PRO QB 46 GLY HN 4.870 (#SUP 5.30 ) &rst ixpk= 5, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1= 690, 691, &end # # 43 PRO QD 46 GLY HN 5.240 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38, igr1= 684, 685, &end # # 43 PRO QG 46 GLY HN 3.590 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr1= 687, 688, &end # # 44 VAL HA 45 ALA HN 4.520 (#SUP 6.23 ) &rst ixpk= 6, nxpk= 0, iat= 699, 713, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end # # 44 VAL HA 46 GLY HN 5.500 (#SUP 7.88 ) &rst ixpk= 7, nxpk= 0, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 VAL HA 47 GLN HN 4.630 (#SUP 5.63 ) &rst ixpk= 5, nxpk= 0, iat= 699, 730, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end # # 44 VAL HB 45 ALA HN 3.280 (#SUP 4.72 ) &rst ixpk= 4, nxpk= 0, iat= 701, 713, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 44 VAL HN 44 VAL HA 3.950 (#SUP 4.76 ) &rst ixpk= 4, nxpk= 0, iat= 697, 699, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 44 VAL HN 44 VAL HB 3.290 (#SUP 4.37 ) &rst ixpk= 4, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 44 VAL HN 45 ALA HN 4.295 (#SUP 7.97 ) &rst ixpk= 7, nxpk= 0, iat= 697, 713, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end # # 44 VAL HN 45 ALA MB 4.690 (#SUP 3.04 ) &rst ixpk= 3, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr2= 717, 718, 719, &end # # 44 VAL HN 46 GLY HN 5.500 (#SUP 7.72 ) &rst ixpk= 7, nxpk= 0, iat= 697, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 44 VAL HN 47 GLN QG 5.500 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 737, 738, &end # # 44 VAL HN 47 GLN QE2 4.870 (#SUP 0.99 ) &rst ixpk= 0, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr2= 742, 743, &end # # 45 ALA HA 46 GLY HN 4.390 (#SUP 5.14 ) &rst ixpk= 5, nxpk= 0, iat= 715, 723, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 45 ALA HA 47 GLN HN 4.960 (#SUP 4.46 ) &rst ixpk= 4, nxpk= 0, iat= 715, 730, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 45 ALA HN 45 ALA HA 3.550 (#SUP 4.50 ) &rst ixpk= 4, nxpk= 0, iat= 713, 715, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end # # 45 ALA HN 45 ALA MB 3.000 (#SUP 4.34 ) &rst ixpk= 4, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, igr2= 717, 718, 719, &end # # 45 ALA HN 46 GLY QA 5.500 (#SUP 3.02 ) &rst ixpk= 3, nxpk= 0, iat= 713, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 725, 726, &end # # 45 ALA HN 46 GLY HN 3.880 (#SUP 7.22 ) &rst ixpk= 7, nxpk= 0, iat= 713, 723, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 45 ALA HN 47 GLN HN 5.210 (#SUP 5.88 ) &rst ixpk= 5, nxpk= 0, iat= 713, 730, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71, &end # # 45 ALA MB 46 GLY HN 3.960 (#SUP 4.85 ) &rst ixpk= 4, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, igr1= 717, 718, 719, &end # # 45 ALA MB 47 GLN HN 4.610 (#SUP 3.88 ) &rst ixpk= 3, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1= 717, 718, 719, &end # # 46 GLY QA 47 GLN HN 4.180 (#SUP 4.45 ) &rst ixpk= 4, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 725, 726, &end # # 46 GLY QA 78 THR HN 4.290 (#SUP 2.61 ) &rst ixpk= 2, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr1= 725, 726, &end # # 46 GLY QA 47 GLN HN 4.180 (#SUP 4.45 ) &rst ixpk= 4, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr1= 725, 726, &end # # 46 GLY HN 46 GLY QA 3.690 (#SUP 3.88 ) &rst ixpk= 3, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, igr2= 725, 726, &end # # 46 GLY HN 47 GLN HA 5.500 (#SUP 4.52 ) &rst ixpk= 4, nxpk= 0, iat= 723, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 46 GLY HN 47 GLN QB 4.950 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 734, 735, &end # # 46 GLY HN 47 GLN QG 5.050 (#SUP 3.49 ) &rst ixpk= 3, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17, igr2= 737, 738, &end # # 46 GLY HN 47 GLN HN 3.435 (#SUP 8.38 ) &rst ixpk= 8, nxpk= 0, iat= 723, 730, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end # # 47 GLN HA 48 LYS+ HN 3.080 (#SUP 5.68 ) &rst ixpk= 5, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end # # 47 GLN HA 78 THR HN 4.880 (#SUP 3.40 ) &rst ixpk= 3, nxpk= 0, iat= 732,1249, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 47 GLN QB 48 LYS+ HN 4.220 (#SUP 4.72 ) &rst ixpk= 4, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr1= 734, 735, &end # # 47 GLN QB 78 THR HN 5.480 (#SUP 1.16 ) &rst ixpk= 1, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 734, 735, &end # # 47 GLN QG 48 LYS+ HN 4.740 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= -1, 747, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 737, 738, &end # # 47 GLN HN 47 GLN HA 3.960 (#SUP 6.95 ) &rst ixpk= 6, nxpk= 0, iat= 730, 732, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end # # 47 GLN HN 47 GLN QB 3.820 (#SUP 5.09 ) &rst ixpk= 5, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr2= 734, 735, &end # # 47 GLN HN 47 GLN QG 3.740 (#SUP 5.69 ) &rst ixpk= 5, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, igr2= 737, 738, &end # # 47 GLN HN 47 GLN QE2 5.170 (#SUP 3.12 ) &rst ixpk= 3, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2= 742, 743, &end # # 47 GLN HN 48 LYS+ HN 4.955 (#SUP 5.83 ) &rst ixpk= 5, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end # # 47 GLN HN 77 VAL HA 5.500 (#SUP 4.01 ) &rst ixpk= 4, nxpk= 0, iat= 730,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 LYS+ HA 49 LEU HN 3.020 (#SUP 2.67 ) &rst ixpk= 2, nxpk= 0, iat= 749, 769, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 48 LYS+ HA 76 MET HN 5.180 (#SUP 2.55 ) &rst ixpk= 2, nxpk= 0, iat= 749,1216, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 48 LYS+ HN 48 LYS+ HA 4.010 (#SUP 6.14 ) &rst ixpk= 6, nxpk= 0, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end # # 48 LYS+ HN 48 LYS+ QB 3.340 (#SUP 4.04 ) &rst ixpk= 4, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, igr2= 751, 752, &end # # 48 LYS+ HN 48 LYS+ QD 4.670 (#SUP 4.82 ) &rst ixpk= 4, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2= 757, 758, &end # # 48 LYS+ HN 48 LYS+ QG 4.950 (#SUP 4.04 ) &rst ixpk= 4, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr2= 754, 755, &end # # 48 LYS+ HN 49 LEU HA 5.500 (#SUP 3.96 ) &rst ixpk= 3, nxpk= 0, iat= 747, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 48 LYS+ HN 49 LEU HN 4.700 (#SUP 3.58 ) &rst ixpk= 3, nxpk= 0, iat= 747, 769, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 48 LYS+ HN 75 VAL HA 5.360 (#SUP 3.60 ) &rst ixpk= 3, nxpk= 0, iat= 747,1202, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 48 LYS+ HN 76 MET QB 5.450 (#SUP 2.11 ) &rst ixpk= 2, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2=1220,1221, &end # # 48 LYS+ HN 77 VAL HA 4.410 (#SUP 4.38 ) &rst ixpk= 4, nxpk= 0, iat= 747,1235, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end # # 48 LYS+ QB 76 MET HN 4.210 (#SUP 3.38 ) &rst ixpk= 3, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1= 751, 752, &end # # 48 LYS+ QG 76 MET HN 4.890 (#SUP 1.70 ) &rst ixpk= 1, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1= 754, 755, &end # # 49 LEU HA 50 ILE HN 3.130 (#SUP 4.68 ) &rst ixpk= 4, nxpk= 0, iat= 771, 788, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 49 LEU HA 74 VAL HN 5.290 (#SUP 2.76 ) &rst ixpk= 2, nxpk= 0, iat= 771,1184, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end # # 49 LEU HA 76 MET HN 4.240 (#SUP 4.39 ) &rst ixpk= 4, nxpk= 0, iat= 771,1216, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 49 LEU HG 50 ILE HN 3.710 (#SUP 4.09 ) &rst ixpk= 4, nxpk= 0, iat= 776, 788, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end # # 49 LEU HN 49 LEU HA 4.090 (#SUP 5.16 ) &rst ixpk= 5, nxpk= 0, iat= 769, 771, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end # # 49 LEU HN 49 LEU HG 4.140 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 49 LEU HN 49 LEU QB 3.150 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, igr2= 773, 774, &end # # 49 LEU HN 50 ILE HN 5.240 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat= 769, 788, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 49 LEU HN 75 VAL HA 5.500 (#SUP 3.92 ) &rst ixpk= 3, nxpk= 0, iat= 769,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 49 LEU HN 76 MET HN 4.470 (#SUP 3.13 ) &rst ixpk= 3, nxpk= 0, iat= 769,1216, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end # # 49 LEU QB 50 ILE HN 4.590 (#SUP 4.09 ) &rst ixpk= 4, nxpk= 0, iat= -1, 788, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, igr1= 773, 774, &end # # 50 ILE HA 51 TYR HN 3.060 (#SUP 6.32 ) &rst ixpk= 6, nxpk= 0, iat= 790, 807, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 50 ILE HA 54 LYS+ HN 4.440 (#SUP 4.96 ) &rst ixpk= 4, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end # # 50 ILE HA 55 ILE HN 5.500 (#SUP 5.14 ) &rst ixpk= 5, nxpk= 0, iat= 790, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 ILE HA 56 LEU HN 4.110 (#SUP 5.91 ) &rst ixpk= 5, nxpk= 0, iat= 790, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end # # 50 ILE HB 51 TYR HN 4.800 (#SUP 5.86 ) &rst ixpk= 5, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 50 ILE HB 53 GLY HN 5.500 (#SUP 2.72 ) &rst ixpk= 2, nxpk= 0, iat= 792, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 50 ILE HB 74 VAL HN 4.200 (#SUP 1.55 ) &rst ixpk= 1, nxpk= 0, iat= 792,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end # # 50 ILE QG1 51 TYR HN 5.200 (#SUP 5.99 ) &rst ixpk= 5, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 798, 799, &end # # 50 ILE HN 50 ILE HA 4.260 (#SUP 5.01 ) &rst ixpk= 5, nxpk= 0, iat= 788, 790, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end # # 50 ILE HN 50 ILE HB 3.680 (#SUP 4.30 ) &rst ixpk= 4, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end # # 50 ILE HN 50 ILE QG1 3.940 (#SUP 4.30 ) &rst ixpk= 4, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2= 798, 799, &end # # 50 ILE HN 74 VAL HB 4.270 (#SUP 1.49 ) &rst ixpk= 1, nxpk= 0, iat= 788,1188, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 50 ILE HN 75 VAL HA 5.180 (#SUP 3.81 ) &rst ixpk= 3, nxpk= 0, iat= 788,1202, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end # # 50 ILE HN 75 VAL HN 5.020 (#SUP 1.98 ) &rst ixpk= 1, nxpk= 0, iat= 788,1200, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52, &end # # 50 ILE QD1 51 TYR HN 3.610 (#SUP 5.29 ) &rst ixpk= 5, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, igr1= 801, 802, 803, &end # # 50 ILE QD1 52 ALA HN 5.240 (#SUP 4.18 ) &rst ixpk= 4, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79, igr1= 801, 802, 803, &end # # 50 ILE QD1 53 GLY HN 3.600 (#SUP 6.39 ) &rst ixpk= 6, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, igr1= 801, 802, 803, &end # # 50 ILE QD1 54 LYS+ HN 3.730 (#SUP 7.36 ) &rst ixpk= 7, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, igr1= 801, 802, 803, &end # # 50 ILE QD1 55 ILE HN 4.990 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 801, 802, 803, &end # # 50 ILE QD1 56 LEU HN 5.250 (#SUP 4.00 ) &rst ixpk= 4, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 801, 802, 803, &end # # 50 ILE MG2 51 TYR HN 4.550 (#SUP 4.90 ) &rst ixpk= 4, nxpk= 0, iat= -1, 807, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr1= 794, 795, 796, &end # # 50 ILE MG2 52 ALA HN 5.490 (#SUP 3.19 ) &rst ixpk= 3, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 794, 795, 796, &end # # 50 ILE MG2 53 GLY HN 5.500 (#SUP 4.93 ) &rst ixpk= 4, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 794, 795, 796, &end # # 50 ILE MG2 54 LYS+ HN 5.500 (#SUP 4.17 ) &rst ixpk= 4, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 794, 795, 796, &end # # 51 TYR HA 52 ALA HN 3.380 (#SUP 6.55 ) &rst ixpk= 6, nxpk= 0, iat= 809, 828, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end # # 51 TYR HA 53 GLY HN 4.770 (#SUP 4.15 ) &rst ixpk= 4, nxpk= 0, iat= 809, 838, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end # # 51 TYR HA 74 VAL HN 4.640 (#SUP 4.56 ) &rst ixpk= 4, nxpk= 0, iat= 809,1184, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end # # 51 TYR QB 52 ALA HN 5.500 (#SUP 5.53 ) &rst ixpk= 5, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 811, 812, &end # # 51 TYR QB 74 VAL HN 5.500 (#SUP 3.48 ) &rst ixpk= 3, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 811, 812, &end # # 51 TYR QB 52 ALA HN 5.500 (#SUP 5.53 ) &rst ixpk= 5, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 811, 812, &end # # 51 TYR QB 54 LYS+ HN 5.500 (#SUP 3.43 ) &rst ixpk= 3, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 811, 812, &end # # 51 TYR HN 51 TYR HA 4.530 (#SUP 5.47 ) &rst ixpk= 5, nxpk= 0, iat= 807, 809, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end # # 51 TYR HN 51 TYR QB 4.030 (#SUP 5.45 ) &rst ixpk= 5, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr2= 811, 812, &end # # 51 TYR HN 51 TYR QD 4.770 (#SUP 6.03 ) &rst ixpk= 6, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr2= 815, 824, &end # # 51 TYR HN 53 GLY HN 5.430 (#SUP 8.91 ) &rst ixpk= 8, nxpk= 0, iat= 807, 838, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end # # 51 TYR HN 54 LYS+ HN 3.970 (#SUP 9.25 ) &rst ixpk= 9, nxpk= 0, iat= 807, 845, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 51 TYR HN 54 LYS+ QB 4.480 (#SUP 2.49 ) &rst ixpk= 2, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, igr2= 849, 850, &end # # 51 TYR HN 54 LYS+ QG 5.290 (#SUP 2.78 ) &rst ixpk= 2, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2= 852, 853, &end # # 51 TYR HN 55 ILE HA 4.460 (#SUP 5.70 ) &rst ixpk= 5, nxpk= 0, iat= 807, 869, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 51 TYR HN 56 LEU HN 5.155 (#SUP 4.68 ) &rst ixpk= 4, nxpk= 0, iat= 807, 886, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end # # 51 TYR QD 52 ALA HN 4.410 (#SUP 7.23 ) &rst ixpk= 7, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, igr1= 815, 824, &end # # 51 TYR QD 53 GLY HN 5.500 (#SUP 6.49 ) &rst ixpk= 6, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 815, 824, &end # # 51 TYR QD 54 LYS+ HN 5.500 (#SUP 6.23 ) &rst ixpk= 6, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 815, 824, &end # # 51 TYR QD 68 ASP- HN 5.500 (#SUP 2.96 ) &rst ixpk= 2, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 815, 824, &end # # 51 TYR QD 73 VAL HN 5.500 (#SUP 2.06 ) &rst ixpk= 2, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 815, 824, &end # # 51 TYR QD 74 VAL HN 4.830 (#SUP 5.85 ) &rst ixpk= 5, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 815, 824, &end # # 51 TYR QE 52 ALA HN 5.500 (#SUP 5.90 ) &rst ixpk= 5, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 817, 822, &end # # 51 TYR QE 66 LYS+ HN 5.500 (#SUP 2.92 ) &rst ixpk= 2, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 817, 822, &end # # 51 TYR QE 67 ILE HN 5.500 (#SUP 4.72 ) &rst ixpk= 4, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 817, 822, &end # # 51 TYR QE 68 ASP- HN 4.310 (#SUP 6.43 ) &rst ixpk= 6, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, igr1= 817, 822, &end # # 51 TYR QE 71 ASN HN 5.260 (#SUP 2.49 ) &rst ixpk= 2, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 817, 822, &end # # 51 TYR QE 72 PHE HN 4.260 (#SUP 3.45 ) &rst ixpk= 3, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, igr1= 817, 822, &end # # 52 ALA HA 53 GLY HN 3.570 (#SUP 4.70 ) &rst ixpk= 4, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 52 ALA HA 54 LYS+ HN 5.190 (#SUP 4.26 ) &rst ixpk= 4, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end # # 52 ALA HN 52 ALA HA 3.350 (#SUP 3.77 ) &rst ixpk= 3, nxpk= 0, iat= 828, 830, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 52 ALA HN 52 ALA MB 3.800 (#SUP 5.23 ) &rst ixpk= 5, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, igr2= 832, 833, 834, &end # # 52 ALA HN 53 GLY QA 5.500 (#SUP 3.02 ) &rst ixpk= 3, nxpk= 0, iat= 828, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 840, 841, &end # # 52 ALA HN 53 GLY HN 4.140 (#SUP 6.70 ) &rst ixpk= 6, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 52 ALA HN 54 LYS+ HN 5.500 (#SUP 6.26 ) &rst ixpk= 6, nxpk= 0, iat= 828, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 ALA HN 73 VAL HA 5.500 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 828,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 52 ALA MB 53 GLY HN 4.150 (#SUP 5.35 ) &rst ixpk= 5, nxpk= 0, iat= -1, 838, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, igr1= 832, 833, 834, &end # # 52 ALA MB 54 LYS+ HN 4.320 (#SUP 4.83 ) &rst ixpk= 4, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 832, 833, 834, &end # # 52 ALA MB 71 ASN QD2 5.500 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 832, 833, 834, igr2=1143,1144, &end # # 53 GLY QA 54 LYS+ HN 4.250 (#SUP 3.89 ) &rst ixpk= 3, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, igr1= 840, 841, &end # # 53 GLY HN 53 GLY QA 3.510 (#SUP 3.61 ) &rst ixpk= 3, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, igr2= 840, 841, &end # # 53 GLY HN 54 LYS+ HN 4.135 (#SUP 7.50 ) &rst ixpk= 7, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end # # 53 GLY HN 54 LYS+ QB 5.110 (#SUP 2.85 ) &rst ixpk= 2, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 849, 850, &end # # 53 GLY HN 54 LYS+ QG 5.500 (#SUP 3.51 ) &rst ixpk= 3, nxpk= 0, iat= 838, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 852, 853, &end # # 54 LYS+ HA 55 ILE HN 2.970 (#SUP 3.68 ) &rst ixpk= 3, nxpk= 0, iat= 847, 867, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end # # 54 LYS+ HN 54 LYS+ HA 3.630 (#SUP 4.68 ) &rst ixpk= 4, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end # # 54 LYS+ HN 54 LYS+ QE 5.500 (#SUP 2.67 ) &rst ixpk= 2, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 858, 859, &end # # 54 LYS+ HN 54 LYS+ QG 3.710 (#SUP 4.04 ) &rst ixpk= 4, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, igr2= 852, 853, &end # # 54 LYS+ HN 55 ILE HN 5.060 (#SUP 4.56 ) &rst ixpk= 4, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end # # 54 LYS+ QB 55 ILE HN 3.670 (#SUP 3.92 ) &rst ixpk= 3, nxpk= 0, iat= -1, 867, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr1= 849, 850, &end # # 55 ILE HA 56 LEU HN 3.170 (#SUP 6.02 ) &rst ixpk= 6, nxpk= 0, iat= 869, 886, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end # # 55 ILE HB 56 LEU HN 4.980 (#SUP 4.94 ) &rst ixpk= 4, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end # # 55 ILE HN 55 ILE HA 4.100 (#SUP 5.31 ) &rst ixpk= 5, nxpk= 0, iat= 867, 869, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 55 ILE HN 55 ILE HB 3.030 (#SUP 3.99 ) &rst ixpk= 3, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end # # 55 ILE HN 55 ILE QG1 3.670 (#SUP 3.99 ) &rst ixpk= 3, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2= 877, 878, &end # # 55 ILE HN 56 LEU HN 5.135 (#SUP 5.50 ) &rst ixpk= 5, nxpk= 0, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 55 ILE QG1 56 LEU HN 5.130 (#SUP 4.94 ) &rst ixpk= 4, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26, igr1= 877, 878, &end # # 55 ILE MG2 56 LEU HN 3.490 (#SUP 7.26 ) &rst ixpk= 7, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, igr1= 873, 874, 875, &end # # 55 ILE MG2 57 ASN HN 5.500 (#SUP 3.89 ) &rst ixpk= 3, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1= 873, 874, 875, &end # # 56 LEU HA 57 ASN HN 3.130 (#SUP 5.75 ) &rst ixpk= 5, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end # # 56 LEU HN 56 LEU HA 4.100 (#SUP 7.12 ) &rst ixpk= 7, nxpk= 0, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 56 LEU HN 56 LEU HG 4.320 (#SUP 4.60 ) &rst ixpk= 4, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end # # 56 LEU HN 56 LEU QB 3.660 (#SUP 6.35 ) &rst ixpk= 6, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, igr2= 890, 891, &end # # 56 LEU HN 57 ASN HN 5.245 (#SUP 6.11 ) &rst ixpk= 6, nxpk= 0, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end # # 56 LEU HN 65 TYR QE 5.500 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1033,1038, &end # # 56 LEU QB 57 ASN HN 4.400 (#SUP 5.12 ) &rst ixpk= 5, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, igr1= 890, 891, &end # # 57 ASN HA 58 ASP- HN 3.000 (#SUP 4.23 ) &rst ixpk= 4, nxpk= 0, iat= 907, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 57 ASN HA 59 ASP- HN 4.790 (#SUP 3.74 ) &rst ixpk= 3, nxpk= 0, iat= 907, 931, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end # # 57 ASN QB 57 ASN QD2 5.060 (#SUP 3.56 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88, igr1= 909, 910, igr2= 914, 915, &end # # 57 ASN QB 58 ASP- HN 4.620 (#SUP 5.20 ) &rst ixpk= 5, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 909, 910, &end # # 57 ASN QB 60 THR HN 5.200 (#SUP 3.13 ) &rst ixpk= 3, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 909, 910, &end # # 57 ASN QB 57 ASN QD2 5.340 (#SUP 3.25 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23, igr1= 909, 910, igr2= 914, 915, &end # # 57 ASN QB 58 ASP- HN 4.620 (#SUP 5.20 ) &rst ixpk= 5, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1= 909, 910, &end # # 57 ASN QB 59 ASP- HN 5.120 (#SUP 6.44 ) &rst ixpk= 6, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25, igr1= 909, 910, &end # # 57 ASN QB 60 THR HN 5.200 (#SUP 3.13 ) &rst ixpk= 3, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr1= 909, 910, &end # # 57 ASN QD2 58 ASP- HN 5.500 (#SUP 3.39 ) &rst ixpk= 3, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 914, 915, &end # # 57 ASN QD2 59 ASP- QB 5.300 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18, igr1= 914, 915, igr2= 935, 936, &end # # 57 ASN QD2 59 ASP- HN 5.480 (#SUP 3.32 ) &rst ixpk= 3, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 914, 915, &end # # 57 ASN HN 57 ASN HA 3.510 (#SUP 4.11 ) &rst ixpk= 4, nxpk= 0, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end # # 57 ASN HN 57 ASN QB 3.570 (#SUP 4.95 ) &rst ixpk= 4, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, igr2= 909, 910, &end # # 57 ASN HN 58 ASP- HA 5.500 (#SUP 1.22 ) &rst ixpk= 1, nxpk= 0, iat= 905, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 57 ASN HN 60 THR HB 4.700 (#SUP 1.50 ) &rst ixpk= 1, nxpk= 0, iat= 905, 947, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 57 ASN HN 65 TYR QD 5.500 (#SUP 4.18 ) &rst ixpk= 4, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1031,1040, &end # # 57 ASN HN 65 TYR QE 4.170 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, igr2=1033,1038, &end # # 58 ASP- HA 59 ASP- HN 4.240 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat= 921, 931, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 58 ASP- HN 58 ASP- HA 3.740 (#SUP 3.42 ) &rst ixpk= 3, nxpk= 0, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end # # 58 ASP- HN 58 ASP- QB 3.190 (#SUP 3.02 ) &rst ixpk= 3, nxpk= 0, iat= 919, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, igr2= 923, 924, &end # # 58 ASP- HN 59 ASP- HN 4.130 (#SUP 4.97 ) &rst ixpk= 4, nxpk= 0, iat= 919, 931, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 58 ASP- QB 59 ASP- HN 3.450 (#SUP 4.80 ) &rst ixpk= 4, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr1= 923, 924, &end # # 58 ASP- QB 60 THR HN 5.080 (#SUP 2.61 ) &rst ixpk= 2, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 923, 924, &end # # 59 ASP- HA 60 THR HN 3.940 (#SUP 4.22 ) &rst ixpk= 4, nxpk= 0, iat= 933, 943, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end # # 59 ASP- QB 60 THR HN 5.020 (#SUP 4.10 ) &rst ixpk= 4, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13, igr1= 935, 936, &end # # 59 ASP- HN 59 ASP- HA 3.710 (#SUP 4.51 ) &rst ixpk= 4, nxpk= 0, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end # # 59 ASP- HN 59 ASP- QB 3.720 (#SUP 4.38 ) &rst ixpk= 4, nxpk= 0, iat= 931, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, igr2= 935, 936, &end # # 59 ASP- HN 60 THR HB 4.740 (#SUP 2.93 ) &rst ixpk= 2, nxpk= 0, iat= 931, 947, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end # # 59 ASP- HN 60 THR HN 3.485 (#SUP 5.86 ) &rst ixpk= 5, nxpk= 0, iat= 931, 943, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 60 THR HA 61 ALA HN 2.870 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end # # 60 THR HB 61 ALA HN 4.700 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= 947, 957, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end # # 60 THR HN 60 THR HA 3.580 (#SUP 4.22 ) &rst ixpk= 4, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end # # 60 THR HN 60 THR HB 3.180 (#SUP 4.85 ) &rst ixpk= 4, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end # # 60 THR HN 60 THR MG2 3.580 (#SUP 4.51 ) &rst ixpk= 4, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2= 949, 950, 951, &end # # 60 THR HN 61 ALA HN 4.900 (#SUP 3.62 ) &rst ixpk= 3, nxpk= 0, iat= 943, 957, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end # # 60 THR HN 65 TYR QE 4.670 (#SUP 3.00 ) &rst ixpk= 3, nxpk= 0, iat= 943, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1033,1038, &end # # 60 THR MG2 61 ALA HN 3.300 (#SUP 3.35 ) &rst ixpk= 3, nxpk= 0, iat= -1, 957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, igr1= 949, 950, 951, &end # # 60 THR MG2 65 TYR HN 4.540 (#SUP 2.25 ) &rst ixpk= 2, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, igr1= 949, 950, 951, &end # # 61 ALA HA 62 LEU HN 3.150 (#SUP 3.30 ) &rst ixpk= 3, nxpk= 0, iat= 959, 967, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end # # 61 ALA HA 64 GLU- HN 5.500 (#SUP 2.72 ) &rst ixpk= 2, nxpk= 0, iat= 959,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 ALA HN 61 ALA HA 4.280 (#SUP 3.15 ) &rst ixpk= 3, nxpk= 0, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end # # 61 ALA HN 61 ALA MB 3.080 (#SUP 3.15 ) &rst ixpk= 3, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, igr2= 961, 962, 963, &end # # 61 ALA HN 62 LEU HN 5.500 (#SUP 3.80 ) &rst ixpk= 3, nxpk= 0, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 ALA HN 63 LYS+ QE 5.500 (#SUP 2.31 ) &rst ixpk= 2, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2= 999,1000, &end # # 61 ALA HN 64 GLU- QB 5.060 (#SUP 2.70 ) &rst ixpk= 2, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18, igr2=1012,1013, &end # # 61 ALA HN 64 GLU- QG 5.450 (#SUP 3.24 ) &rst ixpk= 3, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr2=1015,1016, &end # # 61 ALA HN 64 GLU- HN 5.500 (#SUP 8.41 ) &rst ixpk= 8, nxpk= 0, iat= 957,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 61 ALA HN 65 TYR QE 5.500 (#SUP 6.68 ) &rst ixpk= 6, nxpk= 0, iat= 957, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1033,1038, &end # # 61 ALA MB 62 LEU HN 3.720 (#SUP 4.50 ) &rst ixpk= 4, nxpk= 0, iat= -1, 967, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 961, 962, 963, &end # # 61 ALA MB 63 LYS+ HN 3.760 (#SUP 2.95 ) &rst ixpk= 2, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1= 961, 962, 963, &end # # 61 ALA MB 64 GLU- HN 4.260 (#SUP 4.34 ) &rst ixpk= 4, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1= 961, 962, 963, &end # # 62 LEU HA 63 LYS+ HN 4.420 (#SUP 7.40 ) &rst ixpk= 7, nxpk= 0, iat= 969, 986, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end # # 62 LEU HA 64 GLU- HN 4.560 (#SUP 9.57 ) &rst ixpk= 9, nxpk= 0, iat= 969,1008, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 62 LEU HA 65 TYR HN 5.050 (#SUP 7.82 ) &rst ixpk= 7, nxpk= 0, iat= 969,1023, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end # # 62 LEU HN 62 LEU HA 3.920 (#SUP 6.30 ) &rst ixpk= 6, nxpk= 0, iat= 967, 969, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end # # 62 LEU HN 62 LEU HG 3.440 (#SUP 5.13 ) &rst ixpk= 5, nxpk= 0, iat= 967, 974, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end # # 62 LEU HN 62 LEU QB 3.550 (#SUP 5.88 ) &rst ixpk= 5, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, igr2= 971, 972, &end # # 62 LEU HN 63 LYS+ HN 3.975 (#SUP 8.30 ) &rst ixpk= 8, nxpk= 0, iat= 967, 986, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 62 LEU HN 64 GLU- HN 5.500 (#SUP 8.26 ) &rst ixpk= 8, nxpk= 0, iat= 967,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 62 LEU HN 65 TYR QD 5.500 (#SUP 3.49 ) &rst ixpk= 3, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1031,1040, &end # # 62 LEU QB 63 LYS+ HN 3.620 (#SUP 5.20 ) &rst ixpk= 5, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr1= 971, 972, &end # # 63 LYS+ HA 64 GLU- HN 4.390 (#SUP 7.38 ) &rst ixpk= 7, nxpk= 0, iat= 988,1008, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end # # 63 LYS+ HA 65 TYR HN 4.890 (#SUP 6.45 ) &rst ixpk= 6, nxpk= 0, iat= 988,1023, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end # # 63 LYS+ HA 66 LYS+ HN 4.650 (#SUP 4.17 ) &rst ixpk= 4, nxpk= 0, iat= 988,1044, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end # # 63 LYS+ QB 64 GLU- HN 4.740 (#SUP 7.29 ) &rst ixpk= 7, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, igr1= 990, 991, &end # # 63 LYS+ QB 65 TYR HN 5.450 (#SUP 5.11 ) &rst ixpk= 5, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 990, 991, &end # # 63 LYS+ QB 67 ILE HN 4.990 (#SUP 0.75 ) &rst ixpk= 0, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 990, 991, &end # # 63 LYS+ QG 64 GLU- HN 3.980 (#SUP 6.31 ) &rst ixpk= 6, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr1= 993, 994, &end # # 63 LYS+ HN 63 LYS+ HA 3.480 (#SUP 7.56 ) &rst ixpk= 7, nxpk= 0, iat= 986, 988, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 63 LYS+ HN 63 LYS+ QB 3.620 (#SUP 7.33 ) &rst ixpk= 7, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, igr2= 990, 991, &end # # 63 LYS+ HN 63 LYS+ QG 3.810 (#SUP 7.54 ) &rst ixpk= 7, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2= 993, 994, &end # # 63 LYS+ HN 63 LYS+ QD 4.340 (#SUP 8.20 ) &rst ixpk= 8, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, igr2= 996, 997, &end # # 63 LYS+ HN 63 LYS+ QE 5.220 (#SUP 6.53 ) &rst ixpk= 6, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36, igr2= 999,1000, &end # # 63 LYS+ HN 64 GLU- QB 5.500 (#SUP 4.71 ) &rst ixpk= 4, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1012,1013, &end # # 63 LYS+ HN 64 GLU- HN 4.060 (#SUP 10.00 ) &rst ixpk= 10, nxpk= 0, iat= 986,1008, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end # # 63 LYS+ HN 65 TYR HN 5.500 (#SUP 8.83 ) &rst ixpk= 8, nxpk= 0, iat= 986,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 63 LYS+ HN 65 TYR QD 5.500 (#SUP 4.86 ) &rst ixpk= 4, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1031,1040, &end # # 63 LYS+ QD 64 GLU- HN 3.290 (#SUP 8.41 ) &rst ixpk= 8, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, igr1= 996, 997, &end # # 63 LYS+ QD 65 TYR HN 4.160 (#SUP 6.89 ) &rst ixpk= 6, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, igr1= 996, 997, &end # # 63 LYS+ QD 66 LYS+ HN 5.500 (#SUP 3.54 ) &rst ixpk= 3, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 996, 997, &end # # 63 LYS+ QE 64 GLU- HN 5.500 (#SUP 6.05 ) &rst ixpk= 6, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1= 999,1000, &end # # 64 GLU- HA 65 TYR HN 4.130 (#SUP 8.22 ) &rst ixpk= 8, nxpk= 0, iat=1010,1023, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end # # 64 GLU- HA 66 LYS+ HN 5.280 (#SUP 3.77 ) &rst ixpk= 3, nxpk= 0, iat=1010,1044, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78, &end # # 64 GLU- QB 65 TYR HN 5.500 (#SUP 6.12 ) &rst ixpk= 6, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1012,1013, &end # # 64 GLU- HN 64 GLU- HA 3.750 (#SUP 7.72 ) &rst ixpk= 7, nxpk= 0, iat=1008,1010, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 64 GLU- HN 64 GLU- QB 4.080 (#SUP 6.68 ) &rst ixpk= 6, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, igr2=1012,1013, &end # # 64 GLU- HN 64 GLU- QG 3.680 (#SUP 6.79 ) &rst ixpk= 6, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, igr2=1015,1016, &end # # 64 GLU- HN 65 TYR HA 5.470 (#SUP 6.56 ) &rst ixpk= 6, nxpk= 0, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end # # 64 GLU- HN 65 TYR QB 5.330 (#SUP 6.04 ) &rst ixpk= 6, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=1027,1028, &end # # 64 GLU- HN 65 TYR HN 3.695 (#SUP 10.00 ) &rst ixpk= 10, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end # # 64 GLU- HN 65 TYR QD 5.160 (#SUP 7.70 ) &rst ixpk= 7, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29, igr2=1031,1040, &end # # 64 GLU- HN 65 TYR QE 5.500 (#SUP 5.65 ) &rst ixpk= 5, nxpk= 0, iat=1008, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1033,1038, &end # # 64 GLU- HN 66 LYS+ HN 5.380 (#SUP 7.21 ) &rst ixpk= 7, nxpk= 0, iat=1008,1044, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, &end # # 65 TYR HA 66 LYS+ HN 4.240 (#SUP 7.41 ) &rst ixpk= 7, nxpk= 0, iat=1025,1044, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end # # 65 TYR QB 66 LYS+ HN 4.600 (#SUP 6.39 ) &rst ixpk= 6, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=1027,1028, &end # # 65 TYR QB 67 ILE HN 5.010 (#SUP 6.19 ) &rst ixpk= 6, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1027,1028, &end # # 65 TYR QB 66 LYS+ HN 4.600 (#SUP 6.39 ) &rst ixpk= 6, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr1=1027,1028, &end # # 65 TYR HN 65 TYR HA 3.820 (#SUP 7.87 ) &rst ixpk= 7, nxpk= 0, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end # # 65 TYR HN 65 TYR QB 3.810 (#SUP 6.49 ) &rst ixpk= 6, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr2=1027,1028, &end # # 65 TYR HN 65 TYR QD 3.590 (#SUP 7.95 ) &rst ixpk= 7, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, igr2=1031,1040, &end # # 65 TYR HN 65 TYR QE 4.860 (#SUP 6.63 ) &rst ixpk= 6, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1033,1038, &end # # 65 TYR HN 66 LYS+ HA 4.600 (#SUP 5.85 ) &rst ixpk= 5, nxpk= 0, iat=1023,1046, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end # # 65 TYR HN 66 LYS+ HN 3.570 (#SUP 10.00 ) &rst ixpk= 10, nxpk= 0, iat=1023,1044, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end # # 65 TYR HN 66 LYS+ QG 4.460 (#SUP 5.85 ) &rst ixpk= 5, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, igr2=1051,1052, &end # # 65 TYR HN 67 ILE HN 5.145 (#SUP 6.84 ) &rst ixpk= 6, nxpk= 0, iat=1023,1066, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end # # 65 TYR HN 67 ILE QG1 5.330 (#SUP 2.68 ) &rst ixpk= 2, nxpk= 0, iat=1023, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48, igr2=1076,1077, &end # # 65 TYR QD 66 LYS+ HN 4.890 (#SUP 8.62 ) &rst ixpk= 8, nxpk= 0, iat= -1,1044, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, igr1=1031,1040, &end # # 65 TYR QD 67 ILE HN 5.410 (#SUP 3.88 ) &rst ixpk= 3, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57, igr1=1031,1040, &end # # 66 LYS+ HA 67 ILE HN 3.460 (#SUP 6.84 ) &rst ixpk= 6, nxpk= 0, iat=1046,1066, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end # # 66 LYS+ QB 67 ILE HN 5.420 (#SUP 6.26 ) &rst ixpk= 6, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58, igr1=1048,1049, &end # # 66 LYS+ HN 66 LYS+ HA 3.000 (#SUP 7.30 ) &rst ixpk= 7, nxpk= 0, iat=1044,1046, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 66 LYS+ HN 66 LYS+ QB 4.220 (#SUP 7.49 ) &rst ixpk= 7, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, igr2=1048,1049, &end # # 66 LYS+ HN 66 LYS+ QD 4.600 (#SUP 5.32 ) &rst ixpk= 5, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2=1054,1055, &end # # 66 LYS+ HN 66 LYS+ QE 5.440 (#SUP 5.10 ) &rst ixpk= 5, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=1057,1058, &end # # 66 LYS+ HN 66 LYS+ QG 3.370 (#SUP 8.52 ) &rst ixpk= 8, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, igr2=1051,1052, &end # # 66 LYS+ HN 67 ILE HN 3.955 (#SUP 10.00 ) &rst ixpk= 10, nxpk= 0, iat=1044,1066, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end # # 66 LYS+ HN 67 ILE QD1 5.500 (#SUP 5.79 ) &rst ixpk= 5, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1079,1080,1081, &end # # 66 LYS+ HN 67 ILE QG1 5.090 (#SUP 5.32 ) &rst ixpk= 5, nxpk= 0, iat=1044, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21, igr2=1076,1077, &end # # 66 LYS+ QG 67 ILE HN 4.950 (#SUP 7.21 ) &rst ixpk= 7, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06, igr1=1051,1052, &end # # 67 ILE HA 68 ASP- HN 3.040 (#SUP 5.57 ) &rst ixpk= 5, nxpk= 0, iat=1068,1085, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end # # 67 ILE HB 68 ASP- HN 4.800 (#SUP 5.57 ) &rst ixpk= 5, nxpk= 0, iat=1070,1085, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end # # 67 ILE HN 67 ILE HA 3.830 (#SUP 6.57 ) &rst ixpk= 6, nxpk= 0, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 67 ILE HN 67 ILE HB 3.300 (#SUP 6.57 ) &rst ixpk= 6, nxpk= 0, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 67 ILE HN 67 ILE QD1 3.860 (#SUP 6.53 ) &rst ixpk= 6, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, igr2=1079,1080,1081, &end # # 67 ILE HN 67 ILE QG1 3.450 (#SUP 7.07 ) &rst ixpk= 7, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, igr2=1076,1077, &end # # 67 ILE HN 67 ILE MG2 3.680 (#SUP 6.14 ) &rst ixpk= 6, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr2=1072,1073,1074, &end # # 67 ILE HN 68 ASP- HN 5.360 (#SUP 5.62 ) &rst ixpk= 5, nxpk= 0, iat=1066,1085, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end # # 67 ILE QD1 68 ASP- HN 4.740 (#SUP 4.93 ) &rst ixpk= 4, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1079,1080,1081, &end # # 67 ILE QG1 68 ASP- HN 4.930 (#SUP 5.47 ) &rst ixpk= 5, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03, igr1=1076,1077, &end # # 67 ILE MG2 68 ASP- HN 3.570 (#SUP 7.05 ) &rst ixpk= 7, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, igr1=1072,1073,1074, &end # # 67 ILE MG2 69 GLU- HN 5.430 (#SUP 4.23 ) &rst ixpk= 4, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1=1072,1073,1074, &end # # 67 ILE MG2 70 LYS+ HN 5.500 (#SUP 5.31 ) &rst ixpk= 5, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1072,1073,1074, &end # # 67 ILE MG2 71 ASN HN 5.290 (#SUP 3.60 ) &rst ixpk= 3, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr1=1072,1073,1074, &end # # 67 ILE MG2 72 PHE HN 5.500 (#SUP 0.82 ) &rst ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr1=1072,1073,1074, &end # # 68 ASP- HA 69 GLU- HN 3.120 (#SUP 4.80 ) &rst ixpk= 4, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end # # 68 ASP- HA 70 LYS+ HN 4.270 (#SUP 5.71 ) &rst ixpk= 5, nxpk= 0, iat=1087,1112, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end # # 68 ASP- HA 71 ASN HN 4.690 (#SUP 4.70 ) &rst ixpk= 4, nxpk= 0, iat=1087,1134, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 68 ASP- HN 68 ASP- HA 3.720 (#SUP 3.57 ) &rst ixpk= 3, nxpk= 0, iat=1085,1087, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 68 ASP- HN 68 ASP- QB 3.230 (#SUP 4.38 ) &rst ixpk= 4, nxpk= 0, iat=1085, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, igr2=1089,1090, &end # # 68 ASP- HN 69 GLU- HN 5.200 (#SUP 5.52 ) &rst ixpk= 5, nxpk= 0, iat=1085,1097, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end # # 68 ASP- HN 70 LYS+ HN 5.500 (#SUP 6.32 ) &rst ixpk= 6, nxpk= 0, iat=1085,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 ASP- HN 71 ASN HN 5.500 (#SUP 5.30 ) &rst ixpk= 5, nxpk= 0, iat=1085,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 68 ASP- QB 69 GLU- HN 3.810 (#SUP 6.53 ) &rst ixpk= 6, nxpk= 0, iat= -1,1097, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, igr1=1089,1090, &end # # 68 ASP- QB 70 LYS+ HN 4.280 (#SUP 8.15 ) &rst ixpk= 8, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1=1089,1090, &end # # 68 ASP- QB 71 ASN QD2 4.680 (#SUP 2.01 ) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1=1089,1090, igr2=1143,1144, &end # # 68 ASP- QB 71 ASN HN 4.030 (#SUP 8.61 ) &rst ixpk= 8, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, igr1=1089,1090, &end # # 69 GLU- HA 70 LYS+ HN 4.250 (#SUP 8.78 ) &rst ixpk= 8, nxpk= 0, iat=1099,1112, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end # # 69 GLU- HA 71 ASN HN 4.450 (#SUP 4.94 ) &rst ixpk= 4, nxpk= 0, iat=1099,1134, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end # # 69 GLU- QB 70 LYS+ HN 5.500 (#SUP 6.89 ) &rst ixpk= 6, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1101,1102, &end # # 69 GLU- QG 70 LYS+ HN 4.620 (#SUP 7.24 ) &rst ixpk= 7, nxpk= 0, iat= -1,1112, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, igr1=1104,1105, &end # # 69 GLU- QG 71 ASN HN 5.500 (#SUP 4.94 ) &rst ixpk= 4, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1104,1105, &end # # 69 GLU- HN 69 GLU- HA 3.600 (#SUP 6.57 ) &rst ixpk= 6, nxpk= 0, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end # # 69 GLU- HN 69 GLU- QB 4.180 (#SUP 5.92 ) &rst ixpk= 5, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, igr2=1101,1102, &end # # 69 GLU- HN 69 GLU- QG 3.880 (#SUP 6.23 ) &rst ixpk= 6, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=1104,1105, &end # # 69 GLU- HN 70 LYS+ HN 4.220 (#SUP 10.00 ) &rst ixpk= 10, nxpk= 0, iat=1097,1112, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end # # 69 GLU- HN 70 LYS+ QE 5.500 (#SUP 3.89 ) &rst ixpk= 3, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1125,1126, &end # # 69 GLU- HN 70 LYS+ QG 5.000 (#SUP 5.52 ) &rst ixpk= 5, nxpk= 0, iat=1097, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11, igr2=1119,1120, &end # # 69 GLU- HN 71 ASN HN 5.270 (#SUP 7.98 ) &rst ixpk= 7, nxpk= 0, iat=1097,1134, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end # # 70 LYS+ HA 71 ASN HN 3.970 (#SUP 6.45 ) &rst ixpk= 6, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end # # 70 LYS+ QD 71 ASN HN 5.070 (#SUP 6.13 ) &rst ixpk= 6, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19, igr1=1122,1123, &end # # 70 LYS+ HN 70 LYS+ HA 3.650 (#SUP 6.83 ) &rst ixpk= 6, nxpk= 0, iat=1112,1114, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end # # 70 LYS+ HN 70 LYS+ QD 5.170 (#SUP 6.92 ) &rst ixpk= 6, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2=1122,1123, &end # # 70 LYS+ HN 70 LYS+ QB 3.380 (#SUP 7.06 ) &rst ixpk= 7, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, igr2=1116,1117, &end # # 70 LYS+ HN 70 LYS+ QE 4.790 (#SUP 6.72 ) &rst ixpk= 6, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88, igr2=1125,1126, &end # # 70 LYS+ HN 70 LYS+ QG 3.470 (#SUP 8.52 ) &rst ixpk= 8, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, igr2=1119,1120, &end # # 70 LYS+ HN 71 ASN HA 5.500 (#SUP 4.66 ) &rst ixpk= 4, nxpk= 0, iat=1112,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 70 LYS+ HN 71 ASN QB 5.140 (#SUP 5.02 ) &rst ixpk= 5, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr2=1138,1139, &end # # 70 LYS+ HN 71 ASN HN 3.260 (#SUP 10.00 ) &rst ixpk= 10, nxpk= 0, iat=1112,1134, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end # # 70 LYS+ QB 71 ASN HN 4.370 (#SUP 6.69 ) &rst ixpk= 6, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, igr1=1116,1117, &end # # 70 LYS+ QG 71 ASN HN 4.630 (#SUP 7.65 ) &rst ixpk= 7, nxpk= 0, iat= -1,1134, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr1=1119,1120, &end # # 71 ASN HA 72 PHE HN 3.300 (#SUP 4.56 ) &rst ixpk= 4, nxpk= 0, iat=1136,1148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end # # 71 ASN QB 71 ASN QD2 4.590 (#SUP 3.97 ) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28, igr1=1138,1139, igr2=1143,1144, &end # # 71 ASN QB 72 PHE HN 3.900 (#SUP 4.45 ) &rst ixpk= 4, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=1138,1139, &end # # 71 ASN QB 71 ASN QD2 4.460 (#SUP 4.18 ) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12, igr1=1138,1139, igr2=1143,1144, &end # # 71 ASN QB 72 PHE HN 3.900 (#SUP 4.45 ) &rst ixpk= 4, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, igr1=1138,1139, &end # # 71 ASN HN 71 ASN HA 3.770 (#SUP 6.23 ) &rst ixpk= 6, nxpk= 0, iat=1134,1136, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end # # 71 ASN HN 71 ASN QB 3.880 (#SUP 7.09 ) &rst ixpk= 7, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, igr2=1138,1139, &end # # 71 ASN HN 71 ASN QD2 5.500 (#SUP 5.49 ) &rst ixpk= 5, nxpk= 0, iat=1134, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1143,1144, &end # # 71 ASN HN 72 PHE HA 5.500 (#SUP 3.23 ) &rst ixpk= 3, nxpk= 0, iat=1134,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 72 PHE HA 73 VAL HN 3.210 (#SUP 5.68 ) &rst ixpk= 5, nxpk= 0, iat=1150,1168, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end # # 72 PHE QB 73 VAL HN 4.120 (#SUP 4.62 ) &rst ixpk= 4, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr1=1152,1153, &end # # 72 PHE HN 72 PHE HA 3.860 (#SUP 6.94 ) &rst ixpk= 6, nxpk= 0, iat=1148,1150, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 72 PHE HN 72 PHE QB 4.290 (#SUP 5.51 ) &rst ixpk= 5, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, igr2=1152,1153, &end # # 72 PHE HN 72 PHE QD 4.020 (#SUP 7.37 ) &rst ixpk= 7, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, igr2=1156,1164, &end # # 72 PHE HN 72 PHE QE 5.400 (#SUP 3.36 ) &rst ixpk= 3, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr2=1158,1162, &end # # 72 PHE HN 73 VAL HN 5.120 (#SUP 5.25 ) &rst ixpk= 5, nxpk= 0, iat=1148,1168, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end # # 72 PHE QD 73 VAL HN 4.920 (#SUP 7.87 ) &rst ixpk= 7, nxpk= 0, iat= -1,1168, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02, igr1=1156,1164, &end # # 72 PHE QD 74 VAL HN 5.080 (#SUP 4.72 ) &rst ixpk= 4, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1=1156,1164, &end # # 73 VAL HA 74 VAL HN 3.160 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat=1170,1184, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end # # 73 VAL HB 74 VAL HN 4.920 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat=1172,1184, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end # # 73 VAL HN 73 VAL HA 3.990 (#SUP 5.55 ) &rst ixpk= 5, nxpk= 0, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end # # 73 VAL HN 73 VAL HB 3.520 (#SUP 2.93 ) &rst ixpk= 2, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end # # 73 VAL HN 74 VAL HA 5.500 (#SUP 3.37 ) &rst ixpk= 3, nxpk= 0, iat=1168,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 74 VAL HA 75 VAL HN 3.020 (#SUP 5.38 ) &rst ixpk= 5, nxpk= 0, iat=1186,1200, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end # # 74 VAL HB 75 VAL HN 4.840 (#SUP 3.40 ) &rst ixpk= 3, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end # # 74 VAL HN 74 VAL HA 4.230 (#SUP 5.63 ) &rst ixpk= 5, nxpk= 0, iat=1184,1186, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end # # 74 VAL HN 74 VAL HB 3.410 (#SUP 4.00 ) &rst ixpk= 4, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end # # 75 VAL HA 76 MET HN 3.060 (#SUP 3.75 ) &rst ixpk= 3, nxpk= 0, iat=1202,1216, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end # # 75 VAL HN 75 VAL HA 4.100 (#SUP 4.67 ) &rst ixpk= 4, nxpk= 0, iat=1200,1202, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end # # 75 VAL HN 75 VAL HB 3.860 (#SUP 3.03 ) &rst ixpk= 3, nxpk= 0, iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end # # 75 VAL HN 76 MET HN 4.510 (#SUP 2.78 ) &rst ixpk= 2, nxpk= 0, iat=1200,1216, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end # # 76 MET HA 77 VAL HN 2.960 (#SUP 4.43 ) &rst ixpk= 4, nxpk= 0, iat=1218,1233, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end # # 76 MET QG 77 VAL HN 5.500 (#SUP 3.28 ) &rst ixpk= 3, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1223,1224, &end # # 76 MET HN 76 MET HA 3.890 (#SUP 3.52 ) &rst ixpk= 3, nxpk= 0, iat=1216,1218, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end # # 76 MET HN 76 MET QG 3.940 (#SUP 3.52 ) &rst ixpk= 3, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, igr2=1223,1224, &end # # 76 MET HN 76 MET QB 3.980 (#SUP 3.52 ) &rst ixpk= 3, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, igr2=1220,1221, &end # # 76 MET HN 77 VAL HN 5.150 (#SUP 4.21 ) &rst ixpk= 4, nxpk= 0, iat=1216,1233, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65, &end # # 76 MET QB 77 VAL HN 4.560 (#SUP 4.43 ) &rst ixpk= 4, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr1=1220,1221, &end # # 77 VAL HA 78 THR HN 3.000 (#SUP 3.92 ) &rst ixpk= 3, nxpk= 0, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end # # 77 VAL HB 78 THR HN 4.560 (#SUP 3.82 ) &rst ixpk= 3, nxpk= 0, iat=1237,1249, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end # # 77 VAL HN 77 VAL HA 4.020 (#SUP 4.90 ) &rst ixpk= 4, nxpk= 0, iat=1233,1235, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end # # 77 VAL HN 77 VAL HB 3.480 (#SUP 4.75 ) &rst ixpk= 4, nxpk= 0, iat=1233,1237, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end # # 77 VAL HN 78 THR HN 5.480 (#SUP 4.59 ) &rst ixpk= 4, nxpk= 0, iat=1233,1249, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end # # 77 VAL HN 78 THR MG2 5.500 (#SUP 2.38 ) &rst ixpk= 2, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11, igr2=1255,1256,1257, &end # # 78 THR HA 79 LYS+ HN 3.290 (#SUP 4.10 ) &rst ixpk= 4, nxpk= 0, iat=1251,1263, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end # # 78 THR HB 79 LYS+ HN 4.210 (#SUP 4.22 ) &rst ixpk= 4, nxpk= 0, iat=1253,1263, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end # # 78 THR HN 78 THR HA 3.730 (#SUP 5.35 ) &rst ixpk= 5, nxpk= 0, iat=1249,1251, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end # # 78 THR HN 78 THR HB 3.880 (#SUP 4.74 ) &rst ixpk= 4, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end # # 78 THR HN 78 THR MG2 4.260 (#SUP 5.32 ) &rst ixpk= 5, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=1255,1256,1257, &end # # 78 THR HN 79 LYS+ HN 4.960 (#SUP 5.28 ) &rst ixpk= 5, nxpk= 0, iat=1249,1263, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end # # 78 THR HN 79 LYS+ QB 4.850 (#SUP 2.88 ) &rst ixpk= 2, nxpk= 0, iat=1249, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, igr2=1267,1268, &end # # 78 THR MG2 79 LYS+ HN 4.460 (#SUP 4.10 ) &rst ixpk= 4, nxpk= 0, iat= -1,1263, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, igr1=1255,1256,1257, &end # # 79 LYS+ HN 79 LYS+ HA 4.690 (#SUP 5.64 ) &rst ixpk= 5, nxpk= 0, iat=1263,1265, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end # # 79 LYS+ HN 79 LYS+ QB 3.700 (#SUP 4.98 ) &rst ixpk= 4, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, igr2=1267,1268, &end # # 79 LYS+ HN 79 LYS+ QD 4.670 (#SUP 5.06 ) &rst ixpk= 5, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr2=1273,1274, &end # # 79 LYS+ HN 79 LYS+ QG 5.080 (#SUP 4.77 ) &rst ixpk= 4, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr2=1270,1271, &end # # 79 LYS+ HN 80 PRO QD 5.500 (#SUP 3.71 ) &rst ixpk= 3, nxpk= 0, iat=1263, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1286,1287, &end # # 80 PRO HA 81 LYS+ HN 3.350 (#SUP 3.18 ) &rst ixpk= 3, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end # # 80 PRO QB 81 LYS+ HN 4.770 (#SUP 3.58 ) &rst ixpk= 3, nxpk= 0, iat= -1,1299, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, igr1=1292,1293, &end # # 81 LYS+ HA 82 ALA HN 3.830 (#SUP 2.21 ) &rst ixpk= 2, nxpk= 0, iat=1301,1321, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end # # 81 LYS+ HA 83 VAL HN 5.500 (#SUP 1.82 ) &rst ixpk= 1, nxpk= 0, iat=1301,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 81 LYS+ HN 81 LYS+ HA 4.460 (#SUP 3.17 ) &rst ixpk= 3, nxpk= 0, iat=1299,1301, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end # # 81 LYS+ HN 81 LYS+ QB 3.780 (#SUP 3.71 ) &rst ixpk= 3, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2=1303,1304, &end # # 81 LYS+ HN 81 LYS+ QD 5.500 (#SUP 2.44 ) &rst ixpk= 2, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr2=1309,1310, &end # # 81 LYS+ HN 81 LYS+ QG 4.880 (#SUP 3.72 ) &rst ixpk= 3, nxpk= 0, iat=1299, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, igr2=1306,1307, &end # # 81 LYS+ QB 82 ALA HN 4.870 (#SUP 2.21 ) &rst ixpk= 2, nxpk= 0, iat= -1,1321, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, igr1=1303,1304, &end # # 81 LYS+ QB 83 VAL HN 5.500 (#SUP 1.82 ) &rst ixpk= 1, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67, igr1=1303,1304, &end # # 82 ALA HA 83 VAL HN 3.720 (#SUP 2.36 ) &rst ixpk= 2, nxpk= 0, iat=1323,1331, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end # # 82 ALA HN 82 ALA HA 5.500 (#SUP 1.82 ) &rst ixpk= 1, nxpk= 0, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end # # 82 ALA HN 82 ALA MB 4.330 (#SUP 1.82 ) &rst ixpk= 1, nxpk= 0, iat=1321, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, igr2=1325,1326,1327, &end # # 82 ALA MB 83 VAL HN 5.040 (#SUP 2.36 ) &rst ixpk= 2, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55, igr1=1325,1326,1327, &end # # 83 VAL HA 84 SER HN 4.730 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat=1333,1347, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end # # 83 VAL HN 83 VAL HB 4.880 (#SUP 1.22 ) &rst ixpk= 1, nxpk= 0, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end # # 84 SER HA 85 THR HN 5.040 (#SUP 1.00 ) &rst ixpk= 1, nxpk= 0, iat=1349,1358, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end # # 6 VAL HA 0 AMB n2:11 3.145 (#SUP 3.28) &rst ixpk= 3, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, igr2= 79, 80, 81, 83, 84, 85, &end # # 0 AMB n2:11 67 ILE HA 4.540 (#SUP 1.84) &rst ixpk= 1, nxpk= 0, iat= -1,1068, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62, igr1= 79, 80, 81, 83, 84, 85, &end # # 0 AMB n2:11 67 ILE MG2 2.960 (#SUP 4.15) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, igr1= 79, 80, 81, 83, 84, 85, igr2=1072,1073,1074, &end # # 8 LEU HA 0 AMB n2:12 3.830 (#SUP 5.54) &rst ixpk= 5, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, igr2= 112, 113, 114, 116, 117, 118, &end # # 8 LEU HA 0 AMB n2:22 4.860 (#SUP 1.94) &rst ixpk= 1, nxpk= 0, iat= 105, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2=1206,1207,1208,1210,1211,1212, &end # # 8 LEU QB 0 AMB n2:12 3.670 (#SUP 3.00) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 107, 108, igr2= 112, 113, 114, 116, 117, 118, &end # # 0 AMB n2:12 15 THR MG2 4.465 (#SUP 4.59) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10, igr1= 112, 113, 114, 116, 117, 118, igr2= 234, 235, 236, &end # # 0 AMB n2:12 16 PHE HZ 4.840 (#SUP 5.66) &rst ixpk= 5, nxpk= 0, iat= -1, 254, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02, igr1= 112, 113, 114, 116, 117, 118, &end # # 0 AMB n2:12 16 PHE QD 4.720 (#SUP 5.31) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1= 112, 113, 114, 116, 117, 118, igr2= 250, 258, &end # # 0 AMB n2:12 16 PHE QE 4.355 (#SUP 5.73) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09, igr1= 112, 113, 114, 116, 117, 118, igr2= 252, 256, &end # # 0 AMB n2:12 0 AMB n2:22 5.025 (#SUP 1.88) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63, igr1= 112, 113, 114, 116, 117, 118, igr2=1206,1207,1208,1210,1211,1212, &end # # 9 LYS+ HA 0 AMB n2:21 4.590 (#SUP 0.28) &rst ixpk= 0, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr2=1190,1191,1192,1194,1195,1196, &end # # 10 THR HA 0 AMB n2:21 4.760 (#SUP 1.33) &rst ixpk= 1, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92, igr2=1190,1191,1192,1194,1195,1196, &end # # 10 THR HA 0 AMB n2:22 3.965 (#SUP 2.25) &rst ixpk= 2, nxpk= 0, iat= 146, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, igr2=1206,1207,1208,1210,1211,1212, &end # # 11 LEU HA 0 AMB n2:13 4.750 (#SUP 3.07) &rst ixpk= 3, nxpk= 0, iat= 160, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr2= 167, 168, 169, 171, 172, 173, &end # # 0 AMB n2:13 76 MET QB 4.645 (#SUP 1.50) &rst ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53, igr1= 167, 168, 169, 171, 172, 173, igr2=1220,1221, &end # # 16 PHE HZ 0 AMB n2:22 4.595 (#SUP 1.95) &rst ixpk= 1, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69, igr2=1206,1207,1208,1210,1211,1212, &end # # 16 PHE QE 0 AMB n2:22 4.420 (#SUP 2.00) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr1= 252, 256, igr2=1206,1207,1208,1210,1211,1212, &end # # 26 VAL HA 0 AMB n2:14 3.425 (#SUP 2.96) &rst ixpk= 2, nxpk= 0, iat= 406, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, igr2= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 27 LYS+ HA 4.560 (#SUP 2.46) &rst ixpk= 2, nxpk= 0, iat= -1, 422, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 58 ASP- HA 3.330 (#SUP 4.79) &rst ixpk= 4, nxpk= 0, iat= -1, 921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 62 LEU HA 4.280 (#SUP 0.75) &rst ixpk= 0, nxpk= 0, iat= -1, 969, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 65 TYR QE 3.205 (#SUP 2.00) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, igr1= 410, 411, 412, 414, 415, 416, igr2=1033,1038, &end # # 27 LYS+ HA 0 AMB n2:16 4.375 (#SUP 1.04) &rst ixpk= 1, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr2= 703, 704, 705, 707, 708, 709, &end # # 29 LEU HA 0 AMB n2:15 3.290 (#SUP 4.41) &rst ixpk= 4, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, igr2= 461, 462, 463, 465, 466, 467, &end # # 42 PHE HZ 0 AMB n2:22 5.010 (#SUP 1.50) &rst ixpk= 1, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr2=1206,1207,1208,1210,1211,1212, &end # # 42 PHE QD 0 AMB n2:22 3.960 (#SUP 2.96) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 671, 679, igr2=1206,1207,1208,1210,1211,1212, &end # # 42 PHE QD 0 AMB n2:23 3.585 (#SUP 0.75) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, igr1= 671, 679, igr2=1239,1240,1241,1243,1244,1245, &end # # 42 PHE QE 0 AMB n2:22 3.670 (#SUP 2.54) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05, igr1= 673, 677, igr2=1206,1207,1208,1210,1211,1212, &end # # 43 PRO HA 0 AMB n2:16 4.860 (#SUP 3.64) &rst ixpk= 3, nxpk= 0, iat= 693, -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05, igr2= 703, 704, 705, 707, 708, 709, &end # # 44 VAL HA 0 AMB n2:16 3.660 (#SUP 3.44) &rst ixpk= 3, nxpk= 0, iat= 699, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, igr2= 703, 704, 705, 707, 708, 709, &end # # 0 AMB n2:16 45 ALA HA 4.230 (#SUP 2.60) &rst ixpk= 2, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20, igr1= 703, 704, 705, 707, 708, 709, &end # # 46 GLY QA 0 AMB n2:23 5.085 (#SUP 3.19) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19, igr1= 725, 726, igr2=1239,1240,1241,1243,1244,1245, &end # # 47 GLN HA 0 AMB n2:23 3.490 (#SUP 5.51) &rst ixpk= 5, nxpk= 0, iat= 732, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr2=1239,1240,1241,1243,1244,1245, &end # # 49 LEU HA 0 AMB n2:17 4.015 (#SUP 2.38) &rst ixpk= 2, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91, igr2= 778, 779, 780, 782, 783, 784, &end # # 49 LEU HA 0 AMB n2:18 5.075 (#SUP 2.59) &rst ixpk= 2, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34, igr2= 895, 896, 897, 899, 900, 901, &end # # 49 LEU HA 0 AMB n2:20 3.800 (#SUP 0.68) &rst ixpk= 0, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, igr2=1174,1175,1176,1178,1179,1180, &end # # 49 LEU HA 0 AMB n2:22 4.680 (#SUP 3.61) &rst ixpk= 3, nxpk= 0, iat= 771, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81, igr2=1206,1207,1208,1210,1211,1212, &end # # 49 LEU QB 0 AMB n2:18 3.785 (#SUP 2.58) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23, igr1= 773, 774, igr2= 895, 896, 897, 899, 900, 901, &end # # 0 AMB n2:17 75 VAL HA 3.490 (#SUP 1.46) &rst ixpk= 1, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, igr1= 778, 779, 780, 782, 783, 784, &end # # 50 ILE HA 0 AMB n2:18 4.695 (#SUP 6.12) &rst ixpk= 6, nxpk= 0, iat= 790, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr2= 895, 896, 897, 899, 900, 901, &end # # 51 TYR HA 0 AMB n2:18 5.350 (#SUP 2.07) &rst ixpk= 2, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71, igr2= 895, 896, 897, 899, 900, 901, &end # # 51 TYR HA 0 AMB n2:20 3.935 (#SUP 4.88) &rst ixpk= 4, nxpk= 0, iat= 809, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80, igr2=1174,1175,1176,1178,1179,1180, &end # # 51 TYR QB 0 AMB n2:18 4.005 (#SUP 3.65) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56, igr1= 811, 812, igr2= 895, 896, 897, 899, 900, 901, &end # # 51 TYR QB 0 AMB n2:18 3.960 (#SUP 3.65) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49, igr1= 811, 812, igr2= 895, 896, 897, 899, 900, 901, &end # # 51 TYR QB 0 AMB n2:20 4.140 (#SUP 3.69) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76, igr1= 811, 812, igr2=1174,1175,1176,1178,1179,1180, &end # # 51 TYR QD 0 AMB n2:20 3.170 (#SUP 6.19) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, igr1= 815, 824, igr2=1174,1175,1176,1178,1179,1180, &end # # 51 TYR QE 0 AMB n2:20 3.460 (#SUP 4.84) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, igr1= 817, 822, igr2=1174,1175,1176,1178,1179,1180, &end # # 54 LYS+ QB 0 AMB n2:18 4.385 (#SUP 4.01) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13, igr1= 849, 850, igr2= 895, 896, 897, 899, 900, 901, &end # # 54 LYS+ QG 0 AMB n2:18 4.185 (#SUP 3.01) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83, igr1= 852, 853, igr2= 895, 896, 897, 899, 900, 901, &end # # 55 ILE HA 0 AMB n2:18 4.965 (#SUP 5.55) &rst ixpk= 5, nxpk= 0, iat= 869, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2= 895, 896, 897, 899, 900, 901, &end # # 55 ILE MG2 0 AMB n2:18 5.335 (#SUP 6.45) &rst ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14, igr1= 873, 874, 875, igr2= 895, 896, 897, 899, 900, 901, &end # # 56 LEU HA 0 AMB n2:18 4.335 (#SUP 4.41) &rst ixpk= 4, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34, igr2= 895, 896, 897, 899, 900, 901, &end # # 56 LEU QB 0 AMB n2:18 4.480 (#SUP 5.02) &rst ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28, igr1= 890, 891, igr2= 895, 896, 897, 899, 900, 901, &end # # 0 AMB n2:18 65 TYR QB 4.800 (#SUP 3.00) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76, igr1= 895, 896, 897, 899, 900, 901, igr2=1027,1028, &end # # 0 AMB n2:18 65 TYR QD 4.175 (#SUP 4.19) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 895, 896, 897, 899, 900, 901, igr2=1031,1040, &end # # 0 AMB n2:18 65 TYR QE 4.635 (#SUP 4.75) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 895, 896, 897, 899, 900, 901, igr2=1033,1038, &end # # 0 AMB n2:18 65 TYR QD 4.175 (#SUP 4.19) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 895, 896, 897, 899, 900, 901, igr2=1031,1040, &end # # 0 AMB n2:18 65 TYR QE 4.635 (#SUP 4.75) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51, igr1= 895, 896, 897, 899, 900, 901, igr2=1033,1038, &end # # 62 LEU HA 0 AMB n2:19 4.650 (#SUP 4.74) &rst ixpk= 4, nxpk= 0, iat= 969, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77, igr2= 976, 977, 978, 980, 981, 982, &end # # 0 AMB n2:19 65 TYR QE 4.165 (#SUP 3.29) &rst ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80, igr1= 976, 977, 978, 980, 981, 982, igr2=1033,1038, &end # # 67 ILE QD1 0 AMB n2:20 4.410 (#SUP 0.89) &rst ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr1=1079,1080,1081, igr2=1174,1175,1176,1178,1179,1180, &end # # 72 PHE HA 0 AMB n2:20 4.455 (#SUP 3.51) &rst ixpk= 3, nxpk= 0, iat=1150, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51, igr2=1174,1175,1176,1178,1179,1180, &end # # 72 PHE QD 0 AMB n2:21 4.725 (#SUP 4.53) &rst ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65, igr1=1156,1164, igr2=1190,1191,1192,1194,1195,1196, &end # # 72 PHE QE 0 AMB n2:21 4.515 (#SUP 2.00) &rst ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr1=1158,1162, igr2=1190,1191,1192,1194,1195,1196, &end # # 73 VAL HA 0 AMB n2:20 3.060 (#SUP 3.69) &rst ixpk= 3, nxpk= 0, iat=1170, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, igr2=1174,1175,1176,1178,1179,1180, &end # # 0 AMB n2:20 74 VAL HA 5.270 (#SUP 4.40) &rst ixpk= 4, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60, igr1=1174,1175,1176,1178,1179,1180, &end # # 0 AMB n2:20 75 VAL HA 4.615 (#SUP 1.78) &rst ixpk= 1, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72, igr1=1174,1175,1176,1178,1179,1180, &end # # 74 VAL HA 0 AMB n2:21 3.510 (#SUP 4.42) &rst ixpk= 4, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr2=1190,1191,1192,1194,1195,1196, &end # # 74 VAL HA 0 AMB n2:22 4.405 (#SUP 2.92) &rst ixpk= 2, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44, igr2=1206,1207,1208,1210,1211,1212, &end # # 0 AMB n2:21 75 VAL HA 4.740 (#SUP 2.73) &rst ixpk= 2, nxpk= 0, iat= -1,1202, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89, igr1=1190,1191,1192,1194,1195,1196, &end # # 75 VAL HA 0 AMB n2:22 3.745 (#SUP 3.91) &rst ixpk= 3, nxpk= 0, iat=1202, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, igr2=1206,1207,1208,1210,1211,1212, &end # # 77 VAL HA 0 AMB n2:23 3.090 (#SUP 3.29) &rst ixpk= 3, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, igr2=1239,1240,1241,1243,1244,1245, &end # # 0 AMB n2:23 78 THR HA 3.500 (#SUP 2.20) &rst ixpk= 2, nxpk= 0, iat= -1,1251, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, igr1=1239,1240,1241,1243,1244,1245, &end # # 5 GLN HN 0 AMB n2:11 4.960 (#SUP 2.93) &rst ixpk= 2, nxpk= 0, iat= 56, -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19, igr2= 79, 80, 81, 83, 84, 85, &end # # 6 VAL HN 0 AMB n2:11 3.270 (#SUP 3.64) &rst ixpk= 3, nxpk= 0, iat= 73, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, igr2= 79, 80, 81, 83, 84, 85, &end # # 0 AMB n2:11 7 THR HN 3.410 (#SUP 3.15) &rst ixpk= 3, nxpk= 0, iat= -1, 89, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1= 79, 80, 81, 83, 84, 85, &end # # 0 AMB n2:11 67 ILE HN 5.010 (#SUP 1.77) &rst ixpk= 1, nxpk= 0, iat= -1,1066, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40, igr1= 79, 80, 81, 83, 84, 85, &end # # 0 AMB n2:11 68 ASP- HN 5.500 (#SUP 2.48) &rst ixpk= 2, nxpk= 0, iat= -1,1085, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 79, 80, 81, 83, 84, 85, &end # # 8 LEU HN 0 AMB n2:12 3.700 (#SUP 5.75) &rst ixpk= 5, nxpk= 0, iat= 103, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, igr2= 112, 113, 114, 116, 117, 118, &end # # 0 AMB n2:12 9 LYS+ HN 4.530 (#SUP 4.44) &rst ixpk= 4, nxpk= 0, iat= -1, 122, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 112, 113, 114, 116, 117, 118, &end # # 0 AMB n2:12 16 PHE HN 4.510 (#SUP 7.07) &rst ixpk= 7, nxpk= 0, iat= -1, 242, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90, igr1= 112, 113, 114, 116, 117, 118, &end # # 9 LYS+ HN 0 AMB n2:21 5.040 (#SUP 1.22) &rst ixpk= 1, nxpk= 0, iat= 122, -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29, igr2=1190,1191,1192,1194,1195,1196, &end # # 11 LEU HN 0 AMB n2:13 4.550 (#SUP 5.34) &rst ixpk= 5, nxpk= 0, iat= 158, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63, igr2= 167, 168, 169, 171, 172, 173, &end # # 0 AMB n2:13 77 VAL HN 5.220 (#SUP 2.00) &rst ixpk= 2, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 167, 168, 169, 171, 172, 173, &end # # 0 AMB n2:13 13 GLN HN 5.500 (#SUP 3.11) &rst ixpk= 3, nxpk= 0, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 167, 168, 169, 171, 172, 173, &end # # 0 AMB n2:13 76 MET HN 4.690 (#SUP 2.66) &rst ixpk= 2, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82, igr1= 167, 168, 169, 171, 172, 173, &end # # 0 AMB n2:13 77 VAL HN 5.220 (#SUP 2.00) &rst ixpk= 2, nxpk= 0, iat= -1,1233, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 167, 168, 169, 171, 172, 173, &end # # 24 GLU- HN 0 AMB n2:19 4.390 (#SUP 3.18) &rst ixpk= 3, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42, igr2= 976, 977, 978, 980, 981, 982, &end # # 25 THR HN 0 AMB n2:19 4.700 (#SUP 1.50) &rst ixpk= 1, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84, igr2= 976, 977, 978, 980, 981, 982, &end # # 26 VAL HN 0 AMB n2:14 3.840 (#SUP 5.05) &rst ixpk= 5, nxpk= 0, iat= 404, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, igr2= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 27 LYS+ HN 4.380 (#SUP 5.71) &rst ixpk= 5, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 57 ASN HN 4.810 (#SUP 3.17) &rst ixpk= 3, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 58 ASP- HN 5.090 (#SUP 2.27) &rst ixpk= 2, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 59 ASP- HN 5.500 (#SUP 4.01) &rst ixpk= 4, nxpk= 0, iat= -1, 931, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 60 THR HN 5.010 (#SUP 4.13) &rst ixpk= 4, nxpk= 0, iat= -1, 943, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 27 LYS+ HN 4.380 (#SUP 5.71) &rst ixpk= 5, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 57 ASN HN 4.810 (#SUP 3.17) &rst ixpk= 3, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98, igr1= 410, 411, 412, 414, 415, 416, &end # # 0 AMB n2:14 58 ASP- HN 5.090 (#SUP 2.27) &rst ixpk= 2, nxpk= 0, iat= -1, 919, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1= 410, 411, 412, 414, 415, 416, &end # # 28 ALA HN 0 AMB n2:19 4.340 (#SUP 1.95) &rst ixpk= 1, nxpk= 0, iat= 442, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr2= 976, 977, 978, 980, 981, 982, &end # # 29 LEU HN 0 AMB n2:15 4.300 (#SUP 5.09) &rst ixpk= 5, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30, igr2= 461, 462, 463, 465, 466, 467, &end # # 42 PHE HN 0 AMB n2:23 4.800 (#SUP 0.75) &rst ixpk= 0, nxpk= 0, iat= 663, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97, igr2=1239,1240,1241,1243,1244,1245, &end # # 44 VAL HN 0 AMB n2:16 4.260 (#SUP 5.15) &rst ixpk= 5, nxpk= 0, iat= 697, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24, igr2= 703, 704, 705, 707, 708, 709, &end # # 0 AMB n2:16 45 ALA HN 4.430 (#SUP 5.57) &rst ixpk= 5, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 703, 704, 705, 707, 708, 709, &end # # 0 AMB n2:16 46 GLY HN 5.090 (#SUP 6.45) &rst ixpk= 6, nxpk= 0, iat= -1, 723, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36, igr1= 703, 704, 705, 707, 708, 709, &end # # 0 AMB n2:16 47 GLN HN 4.480 (#SUP 4.15) &rst ixpk= 4, nxpk= 0, iat= -1, 730, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54, igr1= 703, 704, 705, 707, 708, 709, &end # # 0 AMB n2:16 45 ALA HN 4.430 (#SUP 5.57) &rst ixpk= 5, nxpk= 0, iat= -1, 713, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47, igr1= 703, 704, 705, 707, 708, 709, &end # # 46 GLY HN 0 AMB n2:23 4.940 (#SUP 2.12) &rst ixpk= 2, nxpk= 0, iat= 723, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16, igr2=1239,1240,1241,1243,1244,1245, &end # # 47 GLN HN 0 AMB n2:23 4.530 (#SUP 4.63) &rst ixpk= 4, nxpk= 0, iat= 730, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr2=1239,1240,1241,1243,1244,1245, &end # # 48 LYS+ HN 0 AMB n2:23 4.130 (#SUP 3.17) &rst ixpk= 3, nxpk= 0, iat= 747, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2=1239,1240,1241,1243,1244,1245, &end # # 49 LEU HN 0 AMB n2:18 5.300 (#SUP 2.58) &rst ixpk= 2, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64, igr2= 895, 896, 897, 899, 900, 901, &end # # 50 ILE HN 0 AMB n2:18 5.070 (#SUP 3.90) &rst ixpk= 3, nxpk= 0, iat= 788, -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, igr2= 895, 896, 897, 899, 900, 901, &end # # 51 TYR HN 0 AMB n2:18 4.710 (#SUP 5.34) &rst ixpk= 5, nxpk= 0, iat= 807, -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85, igr2= 895, 896, 897, 899, 900, 901, &end # # 54 LYS+ HN 0 AMB n2:18 5.470 (#SUP 3.74) &rst ixpk= 3, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr2= 895, 896, 897, 899, 900, 901, &end # # 55 ILE HN 0 AMB n2:18 5.360 (#SUP 6.78) &rst ixpk= 6, nxpk= 0, iat= 867, -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73, igr2= 895, 896, 897, 899, 900, 901, &end # # 56 LEU HN 0 AMB n2:18 4.130 (#SUP 6.49) &rst ixpk= 6, nxpk= 0, iat= 886, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07, igr2= 895, 896, 897, 899, 900, 901, &end # # 0 AMB n2:18 57 ASN HN 5.220 (#SUP 5.21) &rst ixpk= 5, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 895, 896, 897, 899, 900, 901, &end # # 0 AMB n2:18 65 TYR HN 5.500 (#SUP 3.00) &rst ixpk= 3, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 895, 896, 897, 899, 900, 901, &end # # 0 AMB n2:18 57 ASN HN 5.220 (#SUP 5.21) &rst ixpk= 5, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54, igr1= 895, 896, 897, 899, 900, 901, &end # # 62 LEU HN 0 AMB n2:19 3.780 (#SUP 5.88) &rst ixpk= 5, nxpk= 0, iat= 967, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, igr2= 976, 977, 978, 980, 981, 982, &end # # 0 AMB n2:19 63 LYS+ HN 4.530 (#SUP 6.40) &rst ixpk= 6, nxpk= 0, iat= -1, 986, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61, igr1= 976, 977, 978, 980, 981, 982, &end # # 0 AMB n2:19 64 GLU- HN 5.500 (#SUP 7.46) &rst ixpk= 7, nxpk= 0, iat= -1,1008, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr1= 976, 977, 978, 980, 981, 982, &end # # 0 AMB n2:19 65 TYR HN 5.390 (#SUP 5.48) &rst ixpk= 5, nxpk= 0, iat= -1,1023, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77, igr1= 976, 977, 978, 980, 981, 982, &end # # 72 PHE HN 0 AMB n2:20 5.470 (#SUP 2.94) &rst ixpk= 2, nxpk= 0, iat=1148, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87, igr2=1174,1175,1176,1178,1179,1180, &end # # 0 AMB n2:20 74 VAL HN 3.410 (#SUP 4.87) &rst ixpk= 4, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, igr1=1174,1175,1176,1178,1179,1180, &end # # 0 AMB n2:20 75 VAL HN 4.520 (#SUP 2.90) &rst ixpk= 2, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, igr1=1174,1175,1176,1178,1179,1180, &end # # 74 VAL HN 0 AMB n2:21 4.050 (#SUP 4.00) &rst ixpk= 4, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, igr2=1190,1191,1192,1194,1195,1196, &end # # 0 AMB n2:21 75 VAL HN 4.340 (#SUP 3.40) &rst ixpk= 3, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35, igr1=1190,1191,1192,1194,1195,1196, &end # # 75 VAL HN 0 AMB n2:22 3.450 (#SUP 3.81) &rst ixpk= 3, nxpk= 0, iat=1200, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, igr2=1206,1207,1208,1210,1211,1212, &end # # 77 VAL HN 0 AMB n2:23 3.620 (#SUP 5.13) &rst ixpk= 5, nxpk= 0, iat=1233, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, igr2=1239,1240,1241,1243,1244,1245, &end # # 0 AMB n2:23 78 THR HN 3.510 (#SUP 4.52) &rst ixpk= 4, nxpk= 0, iat= -1,1249, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, igr1=1239,1240,1241,1243,1244,1245, &end # # 83 VAL HN 0 AMB n2:24 5.500 (#SUP 1.22) &rst ixpk= 1, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91, igr2=1337,1338,1339,1341,1342,1343, &end
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