NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10546 |
1pve   |
5868 | cing | 1-original | 2 | AMBER | distance | NOE | simple |
#
# 3 HIS HA 3 HIS HB2 3.350 (#SUP 1.00 )
&rst
ixpk= 1, nxpk= 0, iat= 24, 26, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 3 HIS HA 3 HIS HB3 3.300 (#SUP 1.00 )
&rst
ixpk= 1, nxpk= 0, iat= 24, 27, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 4 MET HA 4 MET HB2 3.600 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= 41, 43, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 4 MET HA 4 MET HB3 3.890 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= 41, 44, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 4 MET HA 4 MET HG3 3.850 (#SUP 3.89 )
&rst
ixpk= 3, nxpk= 0, iat= 41, 47, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 4 MET HA 5 PRO HD2 3.370 (#SUP 2.84 )
&rst
ixpk= 2, nxpk= 0, iat= 41, 57, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 4 MET HA 5 PRO HD3 3.620 (#SUP 3.81 )
&rst
ixpk= 3, nxpk= 0, iat= 41, 58, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 4 MET HB2 4 MET HG2 3.110 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 43, 46, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 4 MET HB2 4 MET HG3 2.960 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 43, 47, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 4 MET HB3 4 MET HG2 2.930 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 44, 46, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43, &end
#
# 4 MET HB3 4 MET HG3 3.050 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 44, 47, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 4 MET HG2 4 MET HG3 2.460 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 46, 47, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 5 PRO HA 5 PRO HB2 3.340 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 66, 63, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 5 PRO HA 5 PRO HB3 3.790 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 66, 64, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 5 PRO HA 5 PRO HD3 5.080 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= 66, 58, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 5 PRO HA 5 PRO HG2 3.800 (#SUP 5.61 )
&rst
ixpk= 5, nxpk= 0, iat= 66, 60, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 5 PRO HA 5 PRO HG3 4.290 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 66, 61, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 5 PRO HB2 5 PRO HB3 2.830 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 63, 64, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33, &end
#
# 5 PRO HB2 5 PRO HG2 3.290 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 63, 60, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 5 PRO HB2 5 PRO HG3 3.500 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 63, 61, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 5 PRO HB3 5 PRO HG2 3.410 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 64, 60, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 5 PRO HB3 5 PRO HG3 3.210 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 64, 61, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 5 PRO HD2 5 PRO HD3 2.700 (#SUP 3.97 )
&rst
ixpk= 3, nxpk= 0, iat= 57, 58, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20, &end
#
# 5 PRO HD2 5 PRO HG2 3.520 (#SUP 5.57 )
&rst
ixpk= 5, nxpk= 0, iat= 57, 60, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 5 PRO HD2 5 PRO HG3 3.690 (#SUP 5.29 )
&rst
ixpk= 5, nxpk= 0, iat= 57, 61, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 5 PRO HD3 5 PRO HG2 3.750 (#SUP 5.69 )
&rst
ixpk= 5, nxpk= 0, iat= 58, 60, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 5 PRO HD3 5 PRO HG3 3.440 (#SUP 5.39 )
&rst
ixpk= 5, nxpk= 0, iat= 58, 61, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 5 PRO HG2 5 PRO HG3 2.620 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 60, 61, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 5 PRO HG2 6 LEU QD1 3.960 (#SUP 3.66 )
&rst
ixpk= 3, nxpk= 0, iat= 60, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 79, 80, 81,
&end
#
# 6 LEU HA 6 LEU HB2 4.270 (#SUP 4.63 )
&rst
ixpk= 4, nxpk= 0, iat= 72, 74, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 6 LEU HA 6 LEU HB3 3.320 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= 72, 75, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 6 LEU HA 6 LEU QD2 3.430 (#SUP 4.74 )
&rst
ixpk= 4, nxpk= 0, iat= 72, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 83, 84, 85,
&end
#
# 6 LEU HB2 6 LEU HB3 2.710 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 74, 75, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 6 LEU HB2 6 LEU HG 3.350 (#SUP 4.68 )
&rst
ixpk= 4, nxpk= 0, iat= 74, 77, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 6 LEU HB2 6 LEU QD1 3.380 (#SUP 3.89 )
&rst
ixpk= 3, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 79, 80, 81,
&end
#
# 6 LEU HB2 6 LEU QD2 3.680 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 83, 84, 85,
&end
#
# 6 LEU HB2 9 LEU QD1 3.770 (#SUP 2.08 )
&rst
ixpk= 2, nxpk= 0, iat= 74, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 133, 134, 135,
&end
#
# 6 LEU HB3 9 LEU QD1 4.070 (#SUP 1.30 )
&rst
ixpk= 1, nxpk= 0, iat= 75, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 133, 134, 135,
&end
#
# 6 LEU HG 6 LEU QD1 2.750 (#SUP 2.85 )
&rst
ixpk= 2, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
igr2= 79, 80, 81,
&end
#
# 6 LEU HG 6 LEU QD2 3.300 (#SUP 3.71 )
&rst
ixpk= 3, nxpk= 0, iat= 77, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 83, 84, 85,
&end
#
# 6 LEU QD1 6 LEU QD2 3.100 (#SUP 3.07 )
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 79, 80, 81,
igr2= 83, 84, 85,
&end
#
# 6 LEU QD1 47 ILE HA 3.640 (#SUP 2.86 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 47 ILE HG13 4.820 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 47 ILE QG2 4.220 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 79, 80, 81,
igr2= 774, 775, 776,
&end
#
# 6 LEU QD1 50 HIS HB2 4.820 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 819, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 50 HIS HB3 3.870 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 53 HIS QB 3.800 (#SUP 1.66 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 79, 80, 81,
igr2= 868, 869,
&end
#
# 6 LEU QD1 54 PHE HA 3.700 (#SUP 2.59 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 54 PHE HB2 4.400 (#SUP 2.59 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 54 PHE HB3 3.690 (#SUP 2.59 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD2 46 GLN HB2 4.440 (#SUP 3.15 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 83, 84, 85,
&end
#
# 6 LEU QD2 46 GLN HB3 3.900 (#SUP 3.15 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 83, 84, 85,
&end
#
# 6 LEU QD2 47 ILE HA 3.760 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 770, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 83, 84, 85,
&end
#
# 6 LEU QD2 47 ILE HG12 4.160 (#SUP 3.61 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 83, 84, 85,
&end
#
# 6 LEU QD2 47 ILE HG13 3.790 (#SUP 4.87 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 779, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 83, 84, 85,
&end
#
# 6 LEU QD2 50 HIS HB3 4.360 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= -1, 820, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 83, 84, 85,
&end
#
# 7 GLU- HA 7 GLU- HB2 3.470 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= 91, 93, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 7 GLU- HA 7 GLU- HB3 3.380 (#SUP 3.97 )
&rst
ixpk= 3, nxpk= 0, iat= 91, 94, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 7 GLU- HA 7 GLU- QG 3.640 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 96, 97,
&end
#
# 7 GLU- HA 10 ARG+ QB 3.360 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 147, 148,
&end
#
# 7 GLU- HB2 7 GLU- QG 3.000 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 96, 97,
&end
#
# 7 GLU- HB3 7 GLU- QG 2.970 (#SUP 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 94, -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
igr2= 96, 97,
&end
#
# 8 PHE HA 8 PHE HB2 3.290 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 8 PHE HA 8 PHE HB3 3.320 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 106, 109, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 8 PHE HB2 8 PHE HB3 2.550 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 108, 109, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 9 LEU HA 9 LEU HB2 3.980 (#SUP 5.80 )
&rst
ixpk= 5, nxpk= 0, iat= 126, 128, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 9 LEU HA 9 LEU HB3 3.690 (#SUP 5.62 )
&rst
ixpk= 5, nxpk= 0, iat= 126, 129, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 9 LEU HA 9 LEU HG 4.410 (#SUP 4.76 )
&rst
ixpk= 4, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 9 LEU HA 9 LEU QD1 4.110 (#SUP 5.03 )
&rst
ixpk= 5, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 133, 134, 135,
&end
#
# 9 LEU HA 9 LEU QD2 3.400 (#SUP 5.13 )
&rst
ixpk= 5, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 137, 138, 139,
&end
#
# 9 LEU HA 12 GLN HG2 4.050 (#SUP 2.25 )
&rst
ixpk= 2, nxpk= 0, iat= 126, 188, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 9 LEU HA 12 GLN HG3 4.020 (#SUP 2.25 )
&rst
ixpk= 2, nxpk= 0, iat= 126, 189, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 9 LEU HA 12 GLN QB 4.390 (#SUP 2.25 )
&rst
ixpk= 2, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 185, 186,
&end
#
# 9 LEU HB2 9 LEU QD1 3.510 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 133, 134, 135,
&end
#
# 9 LEU QD1 43 LEU QD1 3.780 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 133, 134, 135,
igr2= 705, 706, 707,
&end
#
# 9 LEU QD2 43 LEU QD1 3.660 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 137, 138, 139,
igr2= 705, 706, 707,
&end
#
# 10 ARG+ HA 10 ARG+ QB 3.260 (#SUP 4.40 )
&rst
ixpk= 4, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 147, 148,
&end
#
# 10 ARG+ HA 10 ARG+ QG 3.570 (#SUP 4.14 )
&rst
ixpk= 4, nxpk= 0, iat= 145, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 150, 151,
&end
#
# 10 ARG+ HD2 10 ARG+ HD3 2.520 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 153, 154, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 10 ARG+ HD2 10 ARG+ QB 3.620 (#SUP 3.55 )
&rst
ixpk= 3, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 147, 148,
&end
#
# 10 ARG+ HD2 10 ARG+ QG 3.280 (#SUP 3.29 )
&rst
ixpk= 3, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 150, 151,
&end
#
# 10 ARG+ HD3 10 ARG+ QB 3.580 (#SUP 3.55 )
&rst
ixpk= 3, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 147, 148,
&end
#
# 10 ARG+ HD3 10 ARG+ QG 3.520 (#SUP 3.29 )
&rst
ixpk= 3, nxpk= 0, iat= 154, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 150, 151,
&end
#
# 10 ARG+ QB 10 ARG+ QG 2.710 (#SUP 6.15 )
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr1= 147, 148,
igr2= 150, 151,
&end
#
# 11 ASN HB2 11 ASN HB3 2.450 (#SUP 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 171, 172, r1= 1.30, r2= 1.80, r3= 2.45, r4= 2.95, &end
#
# 12 GLN HG2 12 GLN HG3 2.530 (#SUP 1.93 )
&rst
ixpk= 1, nxpk= 0, iat= 188, 189, r1= 1.30, r2= 1.80, r3= 2.53, r4= 3.03, &end
#
# 12 GLN HG2 12 GLN QB 3.130 (#SUP 1.93 )
&rst
ixpk= 1, nxpk= 0, iat= 188, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 185, 186,
&end
#
# 13 PRO HA 13 PRO HB2 3.280 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= 208, 205, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 13 PRO HA 13 PRO HB3 3.630 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 13 PRO HB2 13 PRO HD2 3.680 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 205, 199, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 13 PRO HB2 13 PRO HG2 3.000 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 205, 202, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 13 PRO HB2 13 PRO HG3 3.140 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 205, 203, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 13 PRO HB3 13 PRO HD2 3.830 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 206, 199, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 13 PRO HB3 13 PRO HD3 4.120 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 206, 200, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 13 PRO HB3 13 PRO HG3 2.400 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 206, 203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 13 PRO HD2 13 PRO HD3 2.720 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 199, 200, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 13 PRO HD2 13 PRO HG2 3.250 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 199, 202, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 13 PRO HD2 13 PRO HG3 3.750 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 199, 203, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 13 PRO HD3 13 PRO HG2 3.290 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 200, 202, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 13 PRO HD3 13 PRO HG3 3.490 (#SUP 4.30 )
&rst
ixpk= 4, nxpk= 0, iat= 200, 203, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 13 PRO HG2 13 PRO HG3 2.400 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 202, 203, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 14 GLN HA 14 GLN QB 3.120 (#SUP 2.80 )
&rst
ixpk= 2, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 216, 217,
&end
#
# 14 GLN HA 14 GLN QG 3.380 (#SUP 2.56 )
&rst
ixpk= 2, nxpk= 0, iat= 214, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 219, 220,
&end
#
# 14 GLN QB 14 GLN QG 2.590 (#SUP 2.70 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr1= 216, 217,
igr2= 219, 220,
&end
#
# 15 PHE HA 15 PHE HB2 4.090 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 231, 233, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 15 PHE HA 15 PHE HB3 3.580 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 231, 234, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 15 PHE HA 18 MET HG2 3.670 (#SUP 1.70 )
&rst
ixpk= 1, nxpk= 0, iat= 231, 290, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 15 PHE HA 18 MET HG3 3.570 (#SUP 1.70 )
&rst
ixpk= 1, nxpk= 0, iat= 231, 291, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 15 PHE HB2 15 PHE HB3 2.750 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 233, 234, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 16 GLN HA 16 GLN QB 2.980 (#SUP 2.57 )
&rst
ixpk= 2, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 253, 254,
&end
#
# 16 GLN HA 16 GLN QG 3.710 (#SUP 2.53 )
&rst
ixpk= 2, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 256, 257,
&end
#
# 16 GLN QB 16 GLN QG 2.560 (#SUP 2.55 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr1= 253, 254,
igr2= 256, 257,
&end
#
# 17 GLN HA 17 GLN HB2 3.280 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 268, 270, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 17 GLN HA 17 GLN HB3 3.370 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 268, 271, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 17 GLN HA 17 GLN HG2 3.660 (#SUP 4.94 )
&rst
ixpk= 4, nxpk= 0, iat= 268, 273, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 17 GLN HA 17 GLN HG3 3.430 (#SUP 5.11 )
&rst
ixpk= 5, nxpk= 0, iat= 268, 274, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 17 GLN HA 20 GLN QB 3.330 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 268, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 328, 329,
&end
#
# 17 GLN HB2 17 GLN HB3 2.400 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 270, 271, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 17 GLN HB2 17 GLN HG2 3.500 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 270, 273, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 17 GLN HB3 17 GLN HG2 3.860 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat= 271, 273, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 17 GLN HB3 21 ILE QD1 4.010 (#SUP 0.56 )
&rst
ixpk= 0, nxpk= 0, iat= 271, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 354, 355, 356,
&end
#
# 18 MET HA 18 MET HB2 3.770 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 285, 287, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 18 MET HA 18 MET HB3 3.990 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 285, 288, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 18 MET HA 18 MET HG2 3.900 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 285, 290, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 MET HA 18 MET HG3 3.900 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 285, 291, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 18 MET HA 21 ILE HB 3.460 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 285, 345, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 18 MET HA 21 ILE QD1 3.480 (#SUP 2.63 )
&rst
ixpk= 2, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 354, 355, 356,
&end
#
# 18 MET HA 32 LEU QD2 3.540 (#SUP 3.23 )
&rst
ixpk= 3, nxpk= 0, iat= 285, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 527, 528, 529,
&end
#
# 18 MET HB2 18 MET HB3 2.720 (#SUP 4.30 )
&rst
ixpk= 4, nxpk= 0, iat= 287, 288, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22, &end
#
# 18 MET HB2 18 MET HG2 3.080 (#SUP 4.42 )
&rst
ixpk= 4, nxpk= 0, iat= 287, 290, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 18 MET HB2 18 MET HG3 3.020 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 287, 291, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 18 MET HB2 32 LEU QD1 4.100 (#SUP 2.24 )
&rst
ixpk= 2, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 523, 524, 525,
&end
#
# 18 MET HB2 32 LEU QD2 4.150 (#SUP 5.02 )
&rst
ixpk= 5, nxpk= 0, iat= 287, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 527, 528, 529,
&end
#
# 18 MET HB3 18 MET HG2 2.890 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 288, 290, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 18 MET HB3 18 MET HG3 3.200 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 288, 291, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 18 MET HB3 21 ILE QD1 3.680 (#SUP 0.99 )
&rst
ixpk= 0, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 354, 355, 356,
&end
#
# 18 MET HB3 32 LEU QD1 4.190 (#SUP 2.24 )
&rst
ixpk= 2, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 523, 524, 525,
&end
#
# 18 MET HB3 32 LEU QD2 4.110 (#SUP 5.02 )
&rst
ixpk= 5, nxpk= 0, iat= 288, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 527, 528, 529,
&end
#
# 18 MET HG2 18 MET HG3 2.760 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 290, 291, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 18 MET HG3 32 LEU QD2 3.690 (#SUP 3.23 )
&rst
ixpk= 3, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2= 527, 528, 529,
&end
#
# 18 MET HG3 58 LEU QD2 3.900 (#SUP 1.49 )
&rst
ixpk= 1, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 967, 968, 969,
&end
#
# 19 ARG+ HA 19 ARG+ HG2 3.230 (#SUP 4.63 )
&rst
ixpk= 4, nxpk= 0, iat= 302, 307, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 19 ARG+ HA 19 ARG+ HG3 3.800 (#SUP 4.63 )
&rst
ixpk= 4, nxpk= 0, iat= 302, 308, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 19 ARG+ HA 19 ARG+ QB 3.220 (#SUP 4.87 )
&rst
ixpk= 4, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 304, 305,
&end
#
# 19 ARG+ HA 22 ILE HB 3.680 (#SUP 2.49 )
&rst
ixpk= 2, nxpk= 0, iat= 302, 364, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 19 ARG+ HA 22 ILE QD1 4.420 (#SUP 2.49 )
&rst
ixpk= 2, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 373, 374, 375,
&end
#
# 19 ARG+ HA 22 ILE QG2 4.190 (#SUP 2.49 )
&rst
ixpk= 2, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2= 366, 367, 368,
&end
#
# 19 ARG+ HA 58 LEU QD2 3.790 (#SUP 2.27 )
&rst
ixpk= 2, nxpk= 0, iat= 302, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 967, 968, 969,
&end
#
# 19 ARG+ HD2 19 ARG+ HD3 2.660 (#SUP 4.00 )
&rst
ixpk= 4, nxpk= 0, iat= 310, 311, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 19 ARG+ HD2 19 ARG+ HG2 3.580 (#SUP 4.92 )
&rst
ixpk= 4, nxpk= 0, iat= 310, 307, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 19 ARG+ HD2 19 ARG+ HG3 3.500 (#SUP 4.92 )
&rst
ixpk= 4, nxpk= 0, iat= 310, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 19 ARG+ HD2 19 ARG+ QB 3.760 (#SUP 4.38 )
&rst
ixpk= 4, nxpk= 0, iat= 310, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 304, 305,
&end
#
# 19 ARG+ HD2 58 LEU HA 3.850 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 310, 956, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 19 ARG+ HD3 19 ARG+ HG2 3.820 (#SUP 4.92 )
&rst
ixpk= 4, nxpk= 0, iat= 311, 307, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 19 ARG+ HD3 19 ARG+ HG3 3.620 (#SUP 4.92 )
&rst
ixpk= 4, nxpk= 0, iat= 311, 308, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 19 ARG+ HD3 19 ARG+ QB 4.080 (#SUP 4.38 )
&rst
ixpk= 4, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 304, 305,
&end
#
# 19 ARG+ HD3 58 LEU HA 3.810 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 311, 956, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 19 ARG+ HG2 19 ARG+ QB 3.320 (#SUP 5.98 )
&rst
ixpk= 5, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 304, 305,
&end
#
# 19 ARG+ HG2 32 LEU QD1 3.860 (#SUP 1.61 )
# &rst
# ixpk= 1, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 5.081, r4= 5.14,
# igr2= 523, 524, 525,
# &end
#
# 19 ARG+ HG2 32 LEU QD2 3.740 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 527, 528, 529,
&end
#
# 19 ARG+ HG2 58 LEU HA 3.650 (#SUP 2.91 )
&rst
ixpk= 2, nxpk= 0, iat= 307, 956, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 19 ARG+ HG2 58 LEU QD2 3.840 (#SUP 4.10 )
&rst
ixpk= 4, nxpk= 0, iat= 307, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 967, 968, 969,
&end
#
# 19 ARG+ HG3 19 ARG+ QB 3.060 (#SUP 5.98 )
&rst
ixpk= 5, nxpk= 0, iat= 308, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 304, 305,
&end
#
# 19 ARG+ QB 58 LEU QD2 4.580 (#SUP 2.27 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 304, 305,
igr2= 967, 968, 969,
&end
#
# 20 GLN HA 20 GLN HG2 3.790 (#SUP 4.63 )
&rst
ixpk= 4, nxpk= 0, iat= 326, 331, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 20 GLN HA 20 GLN HG3 3.730 (#SUP 4.58 )
&rst
ixpk= 4, nxpk= 0, iat= 326, 332, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 20 GLN HA 20 GLN QB 2.900 (#SUP 4.19 )
&rst
ixpk= 4, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 328, 329,
&end
#
# 20 GLN HA 62 VAL QG1 4.460 (#SUP 1.83 )
&rst
ixpk= 1, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2=1022,1023,1024,
&end
#
# 20 GLN HA 62 VAL QG2 5.040 (#SUP 1.84 )
&rst
ixpk= 1, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr2=1026,1027,1028,
&end
#
# 20 GLN HG2 20 GLN QB 2.810 (#SUP 3.84 )
&rst
ixpk= 3, nxpk= 0, iat= 331, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 328, 329,
&end
#
# 20 GLN QB 21 ILE HA 3.800 (#SUP 4.85 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 328, 329,
&end
#
# 21 ILE HA 21 ILE HB 3.440 (#SUP 6.20 )
&rst
ixpk= 6, nxpk= 0, iat= 343, 345, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 21 ILE HA 21 ILE HG12 3.400 (#SUP 6.47 )
&rst
ixpk= 6, nxpk= 0, iat= 343, 351, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 ILE HA 21 ILE HG13 3.350 (#SUP 5.21 )
&rst
ixpk= 5, nxpk= 0, iat= 343, 352, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 21 ILE HA 21 ILE QD1 3.900 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 354, 355, 356,
&end
#
# 21 ILE HA 21 ILE QG2 3.030 (#SUP 4.52 )
&rst
ixpk= 4, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 347, 348, 349,
&end
#
# 21 ILE HB 21 ILE HG12 3.240 (#SUP 6.28 )
&rst
ixpk= 6, nxpk= 0, iat= 345, 351, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 21 ILE HB 21 ILE HG13 3.540 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 345, 352, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 21 ILE HB 21 ILE QD1 3.330 (#SUP 4.04 )
&rst
ixpk= 4, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 354, 355, 356,
&end
#
# 21 ILE HB 21 ILE QG2 2.920 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 347, 348, 349,
&end
#
# 21 ILE HG12 21 ILE HG13 2.550 (#SUP 5.61 )
&rst
ixpk= 5, nxpk= 0, iat= 351, 352, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 21 ILE HG12 21 ILE QD1 3.000 (#SUP 4.21 )
&rst
ixpk= 4, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 354, 355, 356,
&end
#
# 21 ILE HG12 21 ILE QG2 3.250 (#SUP 5.04 )
&rst
ixpk= 5, nxpk= 0, iat= 351, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 347, 348, 349,
&end
#
# 21 ILE HG13 21 ILE QD1 2.900 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 354, 355, 356,
&end
#
# 21 ILE HG13 21 ILE QG2 3.360 (#SUP 4.44 )
&rst
ixpk= 4, nxpk= 0, iat= 352, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 347, 348, 349,
&end
#
# 22 ILE HA 22 ILE HB 3.520 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 362, 364, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 22 ILE HA 22 ILE QD1 3.270 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 373, 374, 375,
&end
#
# 22 ILE HA 22 ILE QG1 3.420 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 370, 371,
&end
#
# 22 ILE HA 22 ILE QG2 3.210 (#SUP 5.44 )
&rst
ixpk= 5, nxpk= 0, iat= 362, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 366, 367, 368,
&end
#
# 22 ILE HA 26 PRO HA 3.690 (#SUP 2.13 )
&rst
ixpk= 2, nxpk= 0, iat= 362, 437, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 22 ILE HB 22 ILE QD1 3.350 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 373, 374, 375,
&end
#
# 22 ILE HB 22 ILE QG1 2.980 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 370, 371,
&end
#
# 22 ILE HB 22 ILE QG2 2.920 (#SUP 5.44 )
&rst
ixpk= 5, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 366, 367, 368,
&end
#
# 22 ILE HB 58 LEU QD2 4.450 (#SUP 2.82 )
&rst
ixpk= 2, nxpk= 0, iat= 364, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 967, 968, 969,
&end
#
# 22 ILE QD1 22 ILE QG1 2.940 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 373, 374, 375,
igr2= 370, 371,
&end
#
# 22 ILE QD1 22 ILE QG2 3.040 (#SUP 5.44 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 373, 374, 375,
igr2= 366, 367, 368,
&end
#
# 22 ILE QD1 26 PRO HA 4.170 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 28 LEU HB2 3.890 (#SUP 3.11 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 456, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 28 LEU HB3 3.660 (#SUP 2.60 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 457, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 29 LEU HA 3.560 (#SUP 4.81 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 29 LEU HB2 4.360 (#SUP 4.81 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 29 LEU QD1 3.420 (#SUP 4.11 )
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 373, 374, 375,
igr2= 480, 481, 482,
&end
#
# 22 ILE QD1 32 LEU HB2 3.520 (#SUP 1.71 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 518, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 32 LEU HB3 3.630 (#SUP 1.71 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 519, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 58 LEU QD2 3.850 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 373, 374, 375,
igr2= 967, 968, 969,
&end
#
# 22 ILE QG1 22 ILE QG2 3.030 (#SUP 5.44 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 370, 371,
igr2= 366, 367, 368,
&end
#
# 22 ILE QG1 58 LEU QD2 3.670 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 370, 371,
igr2= 967, 968, 969,
&end
#
# 22 ILE QG2 23 GLN HA 4.240 (#SUP 5.38 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 381, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 26 PRO HA 3.580 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 26 PRO HB2 3.900 (#SUP 0.95 )
&rst
ixpk= 0, nxpk= 0, iat= -1, 434, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 29 LEU HA 3.960 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 473, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 29 LEU HB2 3.590 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 475, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 29 LEU HB3 3.550 (#SUP 2.25 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 476, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 58 LEU QD1 3.080 (#SUP 0.68 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 366, 367, 368,
igr2= 963, 964, 965,
&end
#
# 22 ILE QG2 58 LEU QD2 3.380 (#SUP 4.57 )
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 366, 367, 368,
igr2= 967, 968, 969,
&end
#
# 23 GLN HA 23 GLN HG2 5.310 (#SUP 4.39 )
&rst
ixpk= 4, nxpk= 0, iat= 381, 386, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 23 GLN HA 23 GLN HG3 3.910 (#SUP 4.39 )
&rst
ixpk= 4, nxpk= 0, iat= 381, 387, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 23 GLN HA 23 GLN QB 4.040 (#SUP 5.36 )
&rst
ixpk= 5, nxpk= 0, iat= 381, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 383, 384,
&end
#
# 23 GLN HG2 23 GLN HG3 2.590 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 386, 387, r1= 1.30, r2= 1.80, r3= 2.59, r4= 3.09, &end
#
# 23 GLN HG2 23 GLN QB 5.500 (#SUP 5.55 )
&rst
ixpk= 5, nxpk= 0, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 23 GLN HG3 23 GLN QB 3.120 (#SUP 5.55 )
&rst
ixpk= 5, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 383, 384,
&end
#
# 24 GLN HA 24 GLN HB2 3.390 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 24 GLN HA 24 GLN HB3 3.370 (#SUP 4.70 )
&rst
ixpk= 4, nxpk= 0, iat= 398, 401, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 24 GLN HA 24 GLN HG2 4.140 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 GLN HA 24 GLN HG3 3.990 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 398, 404, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 24 GLN HB2 24 GLN HG2 2.630 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 400, 403, r1= 1.30, r2= 1.80, r3= 2.971, r4= 3.13, &end
#
# 24 GLN HB2 24 GLN HG3 3.830 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 24 GLN HB3 24 GLN HG2 3.390 (#SUP 4.24 )
&rst
ixpk= 4, nxpk= 0, iat= 401, 403, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 24 GLN HB3 24 GLN HG3 3.260 (#SUP 4.78 )
&rst
ixpk= 4, nxpk= 0, iat= 401, 404, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 25 ASN HA 25 ASN HB2 3.780 (#SUP 3.52 )
&rst
ixpk= 3, nxpk= 0, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 ASN HA 25 ASN HB3 3.630 (#SUP 3.52 )
&rst
ixpk= 3, nxpk= 0, iat= 415, 418, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 25 ASN HA 26 PRO HD2 2.990 (#SUP 3.41 )
&rst
ixpk= 3, nxpk= 0, iat= 415, 428, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 25 ASN HA 26 PRO HD3 3.330 (#SUP 4.41 )
&rst
ixpk= 4, nxpk= 0, iat= 415, 429, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 25 ASN HB2 25 ASN HB3 2.410 (#SUP 4.00 )
&rst
ixpk= 4, nxpk= 0, iat= 417, 418, r1= 1.30, r2= 1.80, r3= 2.41, r4= 2.91, &end
#
# 25 ASN HB2 28 LEU HG 3.620 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 417, 459, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 25 ASN HB2 28 LEU QD1 3.450 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 417, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 461, 462, 463,
&end
#
# 25 ASN HB3 28 LEU HG 3.990 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 418, 459, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 ASN HB3 28 LEU QD1 3.580 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 418, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 461, 462, 463,
&end
#
# 26 PRO HA 26 PRO HB2 3.450 (#SUP 5.33 )
&rst
ixpk= 5, nxpk= 0, iat= 437, 434, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 26 PRO HA 26 PRO HB3 3.800 (#SUP 3.66 )
&rst
ixpk= 3, nxpk= 0, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 26 PRO HB2 26 PRO HB3 2.400 (#SUP 5.91 )
&rst
ixpk= 5, nxpk= 0, iat= 434, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 26 PRO HB2 26 PRO HD2 3.920 (#SUP 6.40 )
&rst
ixpk= 6, nxpk= 0, iat= 434, 428, r1= 1.30, r2= 1.80, r3= 4.053, r4= 4.42, &end
#
# 26 PRO HB2 26 PRO HD3 4.020 (#SUP 6.76 )
&rst
ixpk= 6, nxpk= 0, iat= 434, 429, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 26 PRO HB2 26 PRO HG2 4.320 (#SUP 5.61 )
&rst
ixpk= 5, nxpk= 0, iat= 434, 431, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 26 PRO HB2 26 PRO HG3 3.370 (#SUP 5.91 )
&rst
ixpk= 5, nxpk= 0, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 26 PRO HB3 26 PRO HD3 4.320 (#SUP 6.70 )
&rst
ixpk= 6, nxpk= 0, iat= 435, 429, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 26 PRO HB3 26 PRO HG2 2.830 (#SUP 5.61 )
&rst
ixpk= 5, nxpk= 0, iat= 435, 431, r1= 1.30, r2= 1.80, r3= 2.994, r4= 3.33, &end
#
# 26 PRO HD2 26 PRO HD3 2.600 (#SUP 6.28 )
&rst
ixpk= 6, nxpk= 0, iat= 428, 429, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, &end
#
# 26 PRO HD2 26 PRO HG2 3.090 (#SUP 5.07 )
&rst
ixpk= 5, nxpk= 0, iat= 428, 431, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 26 PRO HD2 26 PRO HG3 3.430 (#SUP 4.44 )
&rst
ixpk= 4, nxpk= 0, iat= 428, 432, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 26 PRO HD3 26 PRO HG2 3.520 (#SUP 5.38 )
&rst
ixpk= 5, nxpk= 0, iat= 429, 431, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 26 PRO HD3 26 PRO HG3 3.350 (#SUP 5.69 )
&rst
ixpk= 5, nxpk= 0, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 26 PRO HG2 26 PRO HG3 2.400 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 431, 432, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 27 SER HA 27 SER QB 3.020 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 443, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 445, 446,
&end
#
# 28 LEU HA 28 LEU HB2 3.870 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 28 LEU HA 28 LEU HB3 3.630 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 454, 457, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 28 LEU HA 28 LEU HG 3.630 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 28 LEU HA 28 LEU QD1 4.070 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 461, 462, 463,
&end
#
# 28 LEU HA 28 LEU QD2 3.160 (#SUP 5.99 )
&rst
ixpk= 5, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 465, 466, 467,
&end
#
# 28 LEU HA 31 ALA QB 3.440 (#SUP 2.83 )
&rst
ixpk= 2, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 508, 509, 510,
&end
#
# 28 LEU HB2 28 LEU HB3 2.710 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 456, 457, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 28 LEU HB2 28 LEU HG 3.270 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 456, 459, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 28 LEU HB2 28 LEU QD1 3.160 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 461, 462, 463,
&end
#
# 28 LEU HB2 28 LEU QD2 3.660 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 456, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 465, 466, 467,
&end
#
# 28 LEU HB3 28 LEU QD1 3.210 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 461, 462, 463,
&end
#
# 28 LEU HB3 28 LEU QD2 3.290 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 465, 466, 467,
&end
#
# 28 LEU HG 28 LEU QD1 3.190 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 461, 462, 463,
&end
#
# 28 LEU HG 28 LEU QD2 5.500 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 459, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 465, 466, 467,
&end
#
# 28 LEU QD1 28 LEU QD2 3.000 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 461, 462, 463,
igr2= 465, 466, 467,
&end
#
# 28 LEU QD1 31 ALA QB 3.460 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 461, 462, 463,
igr2= 508, 509, 510,
&end
#
# 28 LEU QD2 31 ALA QB 3.410 (#SUP 2.83 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 465, 466, 467,
igr2= 508, 509, 510,
&end
#
# 29 LEU HA 29 LEU HB2 3.670 (#SUP 6.40 )
&rst
ixpk= 6, nxpk= 0, iat= 473, 475, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 29 LEU HA 29 LEU HB3 3.380 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 473, 476, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 29 LEU HA 29 LEU HG 3.480 (#SUP 3.08 )
&rst
ixpk= 3, nxpk= 0, iat= 473, 478, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 29 LEU HA 29 LEU QD1 3.100 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 473, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 480, 481, 482,
&end
#
# 29 LEU HB2 29 LEU HB3 2.660 (#SUP 5.44 )
&rst
ixpk= 5, nxpk= 0, iat= 475, 476, r1= 1.30, r2= 1.80, r3= 2.66, r4= 3.16, &end
#
# 29 LEU HB2 29 LEU QD1 3.610 (#SUP 5.17 )
&rst
ixpk= 5, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 480, 481, 482,
&end
#
# 29 LEU HB2 29 LEU QD2 3.270 (#SUP 4.68 )
&rst
ixpk= 4, nxpk= 0, iat= 475, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 484, 485, 486,
&end
#
# 29 LEU HB2 30 PRO HD2 3.550 (#SUP 5.64 )
&rst
ixpk= 5, nxpk= 0, iat= 475, 491, r1= 1.30, r2= 1.80, r3= 3.837, r4= 4.05, &end
#
# 29 LEU HB2 30 PRO HD3 3.130 (#SUP 6.52 )
&rst
ixpk= 6, nxpk= 0, iat= 475, 492, r1= 1.30, r2= 1.80, r3= 3.503, r4= 3.63, &end
#
# 29 LEU HB3 29 LEU QD1 3.150 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.875, r4= 4.28,
igr2= 480, 481, 482,
&end
#
# 29 LEU HB3 29 LEU QD2 3.000 (#SUP 4.27 )
&rst
ixpk= 4, nxpk= 0, iat= 476, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 484, 485, 486,
&end
#
# 29 LEU HB3 30 PRO HD3 3.550 (#SUP 5.97 )
&rst
ixpk= 5, nxpk= 0, iat= 476, 492, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 29 LEU HG 29 LEU QD1 3.440 (#SUP 2.81 )
&rst
ixpk= 2, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 480, 481, 482,
&end
#
# 29 LEU HG 33 LEU QD1 3.670 (#SUP 0.33 )
&rst
ixpk= 0, nxpk= 0, iat= 478, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 542, 543, 544,
&end
#
# 29 LEU QD1 33 LEU HG 3.440 (#SUP 3.24 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 540, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 480, 481, 482,
&end
#
# 29 LEU QD1 33 LEU QD2 3.480 (#SUP 2.45 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 480, 481, 482,
igr2= 546, 547, 548,
&end
#
# 29 LEU QD1 58 LEU QD1 3.430 (#SUP 0.70 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 480, 481, 482,
igr2= 963, 964, 965,
&end
#
# 29 LEU QD2 30 PRO HD3 3.950 (#SUP 4.47 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 492, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 484, 485, 486,
&end
#
# 29 LEU QD2 58 LEU QD1 4.000 (#SUP 0.73 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 484, 485, 486,
igr2= 963, 964, 965,
&end
#
# 30 PRO HA 30 PRO HB2 3.130 (#SUP 3.97 )
&rst
ixpk= 3, nxpk= 0, iat= 500, 497, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 30 PRO HA 30 PRO HB3 3.030 (#SUP 6.12 )
&rst
ixpk= 6, nxpk= 0, iat= 500, 498, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 30 PRO HA 30 PRO HG2 4.100 (#SUP 6.08 )
&rst
ixpk= 6, nxpk= 0, iat= 500, 494, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 PRO HA 30 PRO HG3 3.690 (#SUP 5.24 )
&rst
ixpk= 5, nxpk= 0, iat= 500, 495, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 PRO HA 33 LEU HB2 3.930 (#SUP 3.69 )
&rst
ixpk= 3, nxpk= 0, iat= 500, 537, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 30 PRO HA 33 LEU HB3 4.370 (#SUP 4.42 )
&rst
ixpk= 4, nxpk= 0, iat= 500, 538, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 30 PRO HA 33 LEU HG 4.340 (#SUP 4.77 )
&rst
ixpk= 4, nxpk= 0, iat= 500, 540, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 30 PRO HA 33 LEU QD1 3.740 (#SUP 4.89 )
&rst
ixpk= 4, nxpk= 0, iat= 500, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 542, 543, 544,
&end
#
# 30 PRO HB2 30 PRO HB3 2.560 (#SUP 6.19 )
&rst
ixpk= 6, nxpk= 0, iat= 497, 498, r1= 1.30, r2= 1.80, r3= 2.56, r4= 3.06, &end
#
# 30 PRO HB2 30 PRO HG2 3.230 (#SUP 6.21 )
&rst
ixpk= 6, nxpk= 0, iat= 497, 494, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 30 PRO HB2 30 PRO HG3 2.880 (#SUP 5.58 )
&rst
ixpk= 5, nxpk= 0, iat= 497, 495, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 30 PRO HB3 30 PRO HD2 4.260 (#SUP 6.98 )
&rst
ixpk= 6, nxpk= 0, iat= 498, 491, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 30 PRO HB3 30 PRO HD3 4.290 (#SUP 7.74 )
&rst
ixpk= 7, nxpk= 0, iat= 498, 492, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 30 PRO HB3 30 PRO HG2 2.750 (#SUP 6.67 )
&rst
ixpk= 6, nxpk= 0, iat= 498, 494, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25, &end
#
# 30 PRO HB3 31 ALA QB 4.810 (#SUP 3.80 )
&rst
ixpk= 3, nxpk= 0, iat= 498, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 508, 509, 510,
&end
#
# 30 PRO HD2 30 PRO HD3 2.710 (#SUP 6.75 )
&rst
ixpk= 6, nxpk= 0, iat= 491, 492, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 30 PRO HD2 30 PRO HG2 3.400 (#SUP 7.04 )
&rst
ixpk= 7, nxpk= 0, iat= 491, 494, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 30 PRO HD2 30 PRO HG3 3.570 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 30 PRO HD3 30 PRO HG2 3.550 (#SUP 7.83 )
&rst
ixpk= 7, nxpk= 0, iat= 492, 494, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 30 PRO HD3 30 PRO HG3 3.370 (#SUP 7.41 )
&rst
ixpk= 7, nxpk= 0, iat= 492, 495, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 30 PRO HG2 30 PRO HG3 2.540 (#SUP 5.87 )
&rst
ixpk= 5, nxpk= 0, iat= 494, 495, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 30 PRO HG2 31 ALA QB 4.370 (#SUP 4.11 )
&rst
ixpk= 4, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.75,
igr2= 508, 509, 510,
&end
#
# 31 ALA HA 31 ALA QB 2.810 (#SUP 2.40 )
&rst
ixpk= 2, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 508, 509, 510,
&end
#
# 32 LEU HA 32 LEU HB2 3.270 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 516, 518, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 32 LEU HA 32 LEU HB3 3.280 (#SUP 5.96 )
&rst
ixpk= 5, nxpk= 0, iat= 516, 519, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78, &end
#
# 32 LEU HA 32 LEU HG 3.300 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 516, 521, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 32 LEU HA 32 LEU QD1 3.540 (#SUP 5.85 )
&rst
ixpk= 5, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 523, 524, 525,
&end
#
# 32 LEU HA 32 LEU QD2 4.000 (#SUP 4.69 )
&rst
ixpk= 4, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 527, 528, 529,
&end
#
# 32 LEU HA 35 GLN QB 3.640 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 573, 574,
&end
#
# 32 LEU HA 35 GLN QG 4.010 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 516, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 576, 577,
&end
#
# 32 LEU HB2 32 LEU HB3 2.580 (#SUP 5.29 )
&rst
ixpk= 5, nxpk= 0, iat= 518, 519, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 32 LEU HB2 32 LEU HG 2.850 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 518, 521, r1= 1.30, r2= 1.80, r3= 2.999, r4= 3.35, &end
#
# 32 LEU HB2 32 LEU QD1 3.480 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 523, 524, 525,
&end
#
# 32 LEU HB2 32 LEU QD2 3.400 (#SUP 4.69 )
&rst
ixpk= 4, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 527, 528, 529,
&end
#
# 32 LEU HB3 32 LEU QD1 3.110 (#SUP 5.81 )
&rst
ixpk= 5, nxpk= 0, iat= 519, -1, r1= 1.30, r2= 1.80, r3= 3.873, r4= 4.23,
igr2= 523, 524, 525,
&end
#
# 32 LEU HG 32 LEU QD1 2.950 (#SUP 4.71 )
&rst
ixpk= 4, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 523, 524, 525,
&end
#
# 32 LEU HG 32 LEU QD2 3.310 (#SUP 4.22 )
&rst
ixpk= 4, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 527, 528, 529,
&end
#
# 32 LEU HG 36 ILE QD1 3.480 (#SUP 1.63 )
&rst
ixpk= 1, nxpk= 0, iat= 521, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 599, 600, 601,
&end
#
# 32 LEU QD1 35 GLN QB 4.100 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 523, 524, 525,
igr2= 573, 574,
&end
#
# 32 LEU QD1 35 GLN QG 4.200 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 523, 524, 525,
igr2= 576, 577,
&end
#
# 32 LEU QD1 36 ILE HG12 3.810 (#SUP 0.71 )
&rst
ixpk= 0, nxpk= 0, iat= -1, 596, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 523, 524, 525,
&end
#
# 33 LEU HA 33 LEU HB2 3.220 (#SUP 5.99 )
&rst
ixpk= 5, nxpk= 0, iat= 535, 537, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 33 LEU HA 33 LEU HB3 3.410 (#SUP 6.20 )
&rst
ixpk= 6, nxpk= 0, iat= 535, 538, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 33 LEU HA 33 LEU HG 3.770 (#SUP 5.95 )
&rst
ixpk= 5, nxpk= 0, iat= 535, 540, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 33 LEU HA 33 LEU QD1 4.560 (#SUP 6.24 )
&rst
ixpk= 6, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 542, 543, 544,
&end
#
# 33 LEU HA 33 LEU QD2 2.980 (#SUP 5.93 )
&rst
ixpk= 5, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2= 546, 547, 548,
&end
#
# 33 LEU HA 36 ILE HB 3.420 (#SUP 2.75 )
&rst
ixpk= 2, nxpk= 0, iat= 535, 590, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 33 LEU HA 36 ILE QD1 3.620 (#SUP 4.00 )
&rst
ixpk= 4, nxpk= 0, iat= 535, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 599, 600, 601,
&end
#
# 33 LEU HB2 33 LEU HB3 2.610 (#SUP 6.19 )
&rst
ixpk= 6, nxpk= 0, iat= 537, 538, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11, &end
#
# 33 LEU HB2 33 LEU HG 3.350 (#SUP 5.97 )
&rst
ixpk= 5, nxpk= 0, iat= 537, 540, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 33 LEU HB2 33 LEU QD1 3.300 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 542, 543, 544,
&end
#
# 33 LEU HB2 33 LEU QD2 3.300 (#SUP 5.92 )
&rst
ixpk= 5, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 546, 547, 548,
&end
#
# 33 LEU HB3 33 LEU HG 3.650 (#SUP 6.17 )
&rst
ixpk= 6, nxpk= 0, iat= 538, 540, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 33 LEU HB3 33 LEU QD1 3.260 (#SUP 6.43 )
&rst
ixpk= 6, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 542, 543, 544,
&end
#
# 33 LEU HB3 33 LEU QD2 3.380 (#SUP 6.13 )
&rst
ixpk= 6, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 546, 547, 548,
&end
#
# 33 LEU HB3 36 ILE QD1 4.400 (#SUP 1.06 )
&rst
ixpk= 1, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 599, 600, 601,
&end
#
# 33 LEU HG 33 LEU QD2 3.220 (#SUP 5.91 )
&rst
ixpk= 5, nxpk= 0, iat= 540, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 546, 547, 548,
&end
#
# 33 LEU QD1 33 LEU QD2 2.990 (#SUP 6.17 )
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 542, 543, 544,
igr2= 546, 547, 548,
&end
#
# 33 LEU QD1 47 ILE QG2 4.500 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
igr1= 542, 543, 544,
igr2= 774, 775, 776,
&end
#
# 33 LEU QD2 47 ILE HB 3.710 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 546, 547, 548,
&end
#
# 33 LEU QD2 47 ILE QD1 3.680 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 546, 547, 548,
igr2= 781, 782, 783,
&end
#
# 33 LEU QD2 47 ILE QG2 3.410 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 546, 547, 548,
igr2= 774, 775, 776,
&end
#
# 35 GLN HA 35 GLN QB 3.160 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 573, 574,
&end
#
# 35 GLN HA 35 GLN QG 3.410 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 576, 577,
&end
#
# 35 GLN HA 38 ARG+ HG2 4.260 (#SUP 2.49 )
&rst
ixpk= 2, nxpk= 0, iat= 571, 619, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 35 GLN HA 38 ARG+ QB 3.170 (#SUP 3.53 )
&rst
ixpk= 3, nxpk= 0, iat= 571, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 616, 617,
&end
#
# 35 GLN QB 35 GLN QG 2.500 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr1= 573, 574,
igr2= 576, 577,
&end
#
# 35 GLN QG 38 ARG+ QB 3.950 (#SUP 1.56 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 576, 577,
igr2= 616, 617,
&end
#
# 36 ILE HA 36 ILE HB 3.610 (#SUP 6.66 )
&rst
ixpk= 6, nxpk= 0, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 36 ILE HA 36 ILE HG12 3.960 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 588, 596, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 36 ILE HA 36 ILE HG13 3.620 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 588, 597, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 36 ILE HA 36 ILE QD1 3.810 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 599, 600, 601,
&end
#
# 36 ILE HA 36 ILE QG2 3.210 (#SUP 5.63 )
&rst
ixpk= 5, nxpk= 0, iat= 588, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 592, 593, 594,
&end
#
# 36 ILE HB 36 ILE HG13 4.120 (#SUP 5.52 )
&rst
ixpk= 5, nxpk= 0, iat= 590, 597, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 36 ILE HB 36 ILE QD1 3.160 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 599, 600, 601,
&end
#
# 36 ILE HB 36 ILE QG2 2.890 (#SUP 5.50 )
&rst
ixpk= 5, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 592, 593, 594,
&end
#
# 36 ILE HG12 36 ILE HG13 2.740 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 596, 597, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 36 ILE HG12 36 ILE QD1 2.880 (#SUP 4.30 )
&rst
ixpk= 4, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 599, 600, 601,
&end
#
# 36 ILE HG12 36 ILE QG2 3.470 (#SUP 4.74 )
&rst
ixpk= 4, nxpk= 0, iat= 596, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2= 592, 593, 594,
&end
#
# 36 ILE HG13 36 ILE QD1 2.920 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 599, 600, 601,
&end
#
# 36 ILE HG13 36 ILE QG2 3.230 (#SUP 4.76 )
&rst
ixpk= 4, nxpk= 0, iat= 597, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 592, 593, 594,
&end
#
# 36 ILE QG2 40 ASN HB2 3.720 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 655, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 40 ASN HB3 4.210 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 656, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 43 LEU HB2 3.780 (#SUP 3.20 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 700, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 43 LEU HG 3.440 (#SUP 2.20 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 703, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 43 LEU QD2 2.960 (#SUP 3.03 )
&rst
ixpk= 3, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 592, 593, 594,
igr2= 709, 710, 711,
&end
#
# 36 ILE QG2 44 LEU HA 3.720 (#SUP 1.89 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 44 LEU HB3 3.590 (#SUP 3.79 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 720, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 592, 593, 594,
&end
#
# 37 GLY HA2 37 GLY HA3 2.690 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 607, 608, r1= 1.30, r2= 1.80, r3= 2.69, r4= 3.19, &end
#
# 37 GLY HA2 41 PRO HA 4.320 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 607, 675, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 37 GLY HA2 44 LEU HB2 3.770 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= 607, 719, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 37 GLY HA2 44 LEU HB3 3.790 (#SUP 4.23 )
&rst
ixpk= 4, nxpk= 0, iat= 607, 720, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 37 GLY HA2 44 LEU QD1 3.370 (#SUP 4.58 )
&rst
ixpk= 4, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 724, 725, 726,
&end
#
# 37 GLY HA2 44 LEU QD2 4.230 (#SUP 3.35 )
&rst
ixpk= 3, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 728, 729, 730,
&end
#
# 37 GLY HA3 41 PRO HA 4.070 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 608, 675, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 37 GLY HA3 44 LEU HB2 3.720 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 608, 719, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 37 GLY HA3 44 LEU QD1 3.510 (#SUP 2.63 )
&rst
ixpk= 2, nxpk= 0, iat= 608, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 724, 725, 726,
&end
#
# 38 ARG+ HA 38 ARG+ HG2 3.860 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 614, 619, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 38 ARG+ HA 38 ARG+ HG3 3.620 (#SUP 3.80 )
&rst
ixpk= 3, nxpk= 0, iat= 614, 620, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 38 ARG+ HA 38 ARG+ QB 3.020 (#SUP 3.95 )
&rst
ixpk= 3, nxpk= 0, iat= 614, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2= 616, 617,
&end
#
# 38 ARG+ HD2 38 ARG+ HG2 3.510 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 622, 619, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 38 ARG+ HD2 38 ARG+ HG3 3.460 (#SUP 3.61 )
&rst
ixpk= 3, nxpk= 0, iat= 622, 620, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 38 ARG+ HD2 38 ARG+ QB 3.390 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat= 622, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 616, 617,
&end
#
# 38 ARG+ HD3 38 ARG+ HG2 3.410 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 623, 619, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 38 ARG+ HD3 38 ARG+ HG3 3.210 (#SUP 3.61 )
&rst
ixpk= 3, nxpk= 0, iat= 623, 620, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 38 ARG+ HD3 38 ARG+ QB 3.420 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat= 623, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 616, 617,
&end
#
# 38 ARG+ HG2 38 ARG+ HG3 2.650 (#SUP 5.16 )
&rst
ixpk= 5, nxpk= 0, iat= 619, 620, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15, &end
#
# 38 ARG+ HG2 38 ARG+ QB 2.800 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
igr2= 616, 617,
&end
#
# 38 ARG+ HG3 38 ARG+ QB 3.000 (#SUP 4.85 )
&rst
ixpk= 4, nxpk= 0, iat= 620, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 616, 617,
&end
#
# 39 GLU- HA 39 GLU- HB2 3.310 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 638, 640, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 39 GLU- HA 39 GLU- HB3 3.670 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 638, 641, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 39 GLU- HA 39 GLU- HG2 3.790 (#SUP 4.27 )
&rst
ixpk= 4, nxpk= 0, iat= 638, 643, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 39 GLU- HA 39 GLU- HG3 3.670 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 638, 644, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 39 GLU- HB2 39 GLU- HB3 2.620 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 640, 641, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 39 GLU- HB2 39 GLU- HG2 3.010 (#SUP 4.27 )
&rst
ixpk= 4, nxpk= 0, iat= 640, 643, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 39 GLU- HB2 39 GLU- HG3 3.180 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 39 GLU- HB3 39 GLU- HG2 3.400 (#SUP 4.27 )
&rst
ixpk= 4, nxpk= 0, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 39 GLU- HB3 39 GLU- HG3 3.390 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 641, 644, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 39 GLU- HG2 39 GLU- HG3 2.400 (#SUP 3.96 )
&rst
ixpk= 3, nxpk= 0, iat= 643, 644, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 40 ASN HA 40 ASN HB2 3.640 (#SUP 4.20 )
&rst
ixpk= 4, nxpk= 0, iat= 653, 655, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 40 ASN HA 40 ASN HB3 3.260 (#SUP 4.20 )
&rst
ixpk= 4, nxpk= 0, iat= 653, 656, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 40 ASN HA 41 PRO HD2 3.130 (#SUP 4.42 )
&rst
ixpk= 4, nxpk= 0, iat= 653, 666, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 40 ASN HA 41 PRO HD3 3.440 (#SUP 4.99 )
&rst
ixpk= 4, nxpk= 0, iat= 653, 667, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 40 ASN HB2 40 ASN HB3 2.520 (#SUP 4.00 )
&rst
ixpk= 4, nxpk= 0, iat= 655, 656, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 40 ASN HB2 43 LEU HB2 3.920 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= 655, 700, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 40 ASN HB2 43 LEU HB3 4.350 (#SUP 4.82 )
&rst
ixpk= 4, nxpk= 0, iat= 655, 701, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 40 ASN HB2 43 LEU QD2 4.020 (#SUP 4.86 )
&rst
ixpk= 4, nxpk= 0, iat= 655, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 709, 710, 711,
&end
#
# 40 ASN HB3 43 LEU HB2 4.380 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 656, 700, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 41 PRO HA 41 PRO HB2 3.250 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 675, 672, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 41 PRO HA 41 PRO HB3 3.420 (#SUP 5.98 )
&rst
ixpk= 5, nxpk= 0, iat= 675, 673, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 41 PRO HA 41 PRO HD3 4.650 (#SUP 6.83 )
&rst
ixpk= 6, nxpk= 0, iat= 675, 667, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 41 PRO HA 41 PRO HG2 3.760 (#SUP 5.59 )
&rst
ixpk= 5, nxpk= 0, iat= 675, 669, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 41 PRO HA 44 LEU HB3 4.180 (#SUP 0.69 )
&rst
ixpk= 0, nxpk= 0, iat= 675, 720, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 41 PRO HA 44 LEU QD1 3.990 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 675, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 724, 725, 726,
&end
#
# 41 PRO HB2 41 PRO HB3 2.580 (#SUP 5.98 )
&rst
ixpk= 5, nxpk= 0, iat= 672, 673, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08, &end
#
# 41 PRO HB2 41 PRO HD3 4.110 (#SUP 6.33 )
&rst
ixpk= 6, nxpk= 0, iat= 672, 667, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 41 PRO HB2 41 PRO HG2 2.920 (#SUP 5.61 )
&rst
ixpk= 5, nxpk= 0, iat= 672, 669, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42, &end
#
# 41 PRO HB2 41 PRO HG3 3.480 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 672, 670, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 41 PRO HB3 41 PRO HD2 3.740 (#SUP 6.76 )
&rst
ixpk= 6, nxpk= 0, iat= 673, 666, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 41 PRO HB3 41 PRO HD3 4.330 (#SUP 6.41 )
&rst
ixpk= 6, nxpk= 0, iat= 673, 667, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 41 PRO HB3 41 PRO HG3 3.000 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 673, 670, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 41 PRO HD2 41 PRO HD3 2.670 (#SUP 7.27 )
&rst
ixpk= 7, nxpk= 0, iat= 666, 667, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 41 PRO HD2 41 PRO HG2 3.370 (#SUP 6.38 )
&rst
ixpk= 6, nxpk= 0, iat= 666, 669, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 41 PRO HD2 41 PRO HG3 3.460 (#SUP 5.08 )
&rst
ixpk= 5, nxpk= 0, iat= 666, 670, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 41 PRO HD3 41 PRO HG2 3.340 (#SUP 6.02 )
&rst
ixpk= 6, nxpk= 0, iat= 667, 669, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 41 PRO HD3 41 PRO HG3 3.420 (#SUP 5.69 )
&rst
ixpk= 5, nxpk= 0, iat= 667, 670, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 41 PRO HG2 41 PRO HG3 2.400 (#SUP 5.19 )
&rst
ixpk= 5, nxpk= 0, iat= 669, 670, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 42 GLN HA 42 GLN HB2 3.080 (#SUP 3.86 )
&rst
ixpk= 3, nxpk= 0, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 42 GLN HA 42 GLN HB3 3.360 (#SUP 3.97 )
&rst
ixpk= 3, nxpk= 0, iat= 681, 684, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 42 GLN HA 42 GLN QG 3.390 (#SUP 3.96 )
&rst
ixpk= 3, nxpk= 0, iat= 681, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 686, 687,
&end
#
# 42 GLN HB3 42 GLN QG 3.060 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 684, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2= 686, 687,
&end
#
# 43 LEU HA 43 LEU HB2 3.990 (#SUP 5.98 )
&rst
ixpk= 5, nxpk= 0, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 43 LEU HA 43 LEU HB3 3.460 (#SUP 4.79 )
&rst
ixpk= 4, nxpk= 0, iat= 698, 701, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 43 LEU HA 43 LEU QD1 3.180 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 705, 706, 707,
&end
#
# 43 LEU HA 43 LEU QD2 4.010 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 698, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 709, 710, 711,
&end
#
# 43 LEU HA 46 GLN HB2 3.810 (#SUP 4.07 )
&rst
ixpk= 4, nxpk= 0, iat= 698, 755, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 43 LEU HA 46 GLN HB3 3.750 (#SUP 4.10 )
&rst
ixpk= 4, nxpk= 0, iat= 698, 756, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 43 LEU HB2 43 LEU HB3 2.710 (#SUP 5.77 )
&rst
ixpk= 5, nxpk= 0, iat= 700, 701, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 43 LEU HB2 43 LEU HG 2.960 (#SUP 4.79 )
&rst
ixpk= 4, nxpk= 0, iat= 700, 703, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 43 LEU HB2 43 LEU QD1 3.660 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 705, 706, 707,
&end
#
# 43 LEU HB2 43 LEU QD2 3.860 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 700, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 709, 710, 711,
&end
#
# 43 LEU HB3 43 LEU QD2 3.080 (#SUP 5.24 )
&rst
ixpk= 5, nxpk= 0, iat= 701, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 709, 710, 711,
&end
#
# 43 LEU HG 43 LEU QD1 3.170 (#SUP 3.47 )
&rst
ixpk= 3, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 705, 706, 707,
&end
#
# 43 LEU HG 43 LEU QD2 3.100 (#SUP 4.38 )
&rst
ixpk= 4, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 709, 710, 711,
&end
#
# 43 LEU HG 47 ILE QD1 3.550 (#SUP 2.15 )
&rst
ixpk= 2, nxpk= 0, iat= 703, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 781, 782, 783,
&end
#
# 43 LEU QD1 43 LEU QD2 2.950 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 705, 706, 707,
igr2= 709, 710, 711,
&end
#
# 43 LEU QD1 46 GLN HB2 3.860 (#SUP 4.54 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 755, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 705, 706, 707,
&end
#
# 43 LEU QD1 46 GLN HB3 4.270 (#SUP 4.54 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 756, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 705, 706, 707,
&end
#
# 43 LEU QD1 47 ILE HG12 4.130 (#SUP 2.21 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 778, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 705, 706, 707,
&end
#
# 43 LEU QD1 47 ILE QD1 3.690 (#SUP 6.29 )
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 705, 706, 707,
igr2= 781, 782, 783,
&end
#
# 43 LEU QD2 47 ILE QD1 3.780 (#SUP 2.16 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 709, 710, 711,
igr2= 781, 782, 783,
&end
#
# 44 LEU HA 44 LEU HB2 3.630 (#SUP 5.94 )
&rst
ixpk= 5, nxpk= 0, iat= 717, 719, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 44 LEU HA 44 LEU HB3 3.600 (#SUP 5.94 )
&rst
ixpk= 5, nxpk= 0, iat= 717, 720, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 44 LEU HA 44 LEU HG 3.900 (#SUP 5.28 )
&rst
ixpk= 5, nxpk= 0, iat= 717, 722, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 44 LEU HA 44 LEU QD1 3.600 (#SUP 5.22 )
&rst
ixpk= 5, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 724, 725, 726,
&end
#
# 44 LEU HA 44 LEU QD2 2.990 (#SUP 5.76 )
&rst
ixpk= 5, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 728, 729, 730,
&end
#
# 44 LEU HA 47 ILE HB 3.210 (#SUP 3.83 )
&rst
ixpk= 3, nxpk= 0, iat= 717, 772, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 44 LEU HA 47 ILE QD1 3.620 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 781, 782, 783,
&end
#
# 44 LEU HA 47 ILE QG2 4.690 (#SUP 3.83 )
&rst
ixpk= 3, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr2= 774, 775, 776,
&end
#
# 44 LEU HB2 44 LEU HB3 2.710 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 719, 720, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 44 LEU HB2 44 LEU HG 3.460 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 719, 722, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 44 LEU HB2 44 LEU QD1 3.250 (#SUP 5.15 )
&rst
ixpk= 5, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 724, 725, 726,
&end
#
# 44 LEU HB2 44 LEU QD2 3.260 (#SUP 5.78 )
&rst
ixpk= 5, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 728, 729, 730,
&end
#
# 44 LEU HB3 44 LEU HG 3.580 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 720, 722, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 44 LEU HB3 44 LEU QD1 3.900 (#SUP 5.15 )
&rst
ixpk= 5, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 724, 725, 726,
&end
#
# 44 LEU HB3 44 LEU QD2 3.420 (#SUP 5.79 )
&rst
ixpk= 5, nxpk= 0, iat= 720, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 728, 729, 730,
&end
#
# 44 LEU HG 44 LEU QD2 2.920 (#SUP 4.11 )
&rst
ixpk= 4, nxpk= 0, iat= 722, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 728, 729, 730,
&end
#
# 44 LEU QD2 47 ILE HB 3.550 (#SUP 4.74 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 772, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 728, 729, 730,
&end
#
# 44 LEU QD2 47 ILE QD1 3.540 (#SUP 5.83 )
&rst
ixpk= 5, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 728, 729, 730,
igr2= 781, 782, 783,
&end
#
# 44 LEU QD2 47 ILE QG2 3.620 (#SUP 4.74 )
&rst
ixpk= 4, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 728, 729, 730,
igr2= 774, 775, 776,
&end
#
# 45 GLN HA 45 GLN HG2 4.080 (#SUP 3.72 )
&rst
ixpk= 3, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 45 GLN HA 45 GLN HG3 4.100 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 45 GLN HA 45 GLN QB 2.780 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 736, -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
igr2= 738, 739,
&end
#
# 45 GLN HG2 45 GLN HG3 2.400 (#SUP 2.93 )
&rst
ixpk= 2, nxpk= 0, iat= 741, 742, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 45 GLN HG2 45 GLN QB 2.450 (#SUP 3.50 )
&rst
ixpk= 3, nxpk= 0, iat= 741, -1, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,
igr2= 738, 739,
&end
#
# 46 GLN HA 46 GLN HB2 3.490 (#SUP 5.03 )
&rst
ixpk= 5, nxpk= 0, iat= 753, 755, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 46 GLN HA 46 GLN HB3 3.380 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 753, 756, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 46 GLN HA 46 GLN HG2 3.630 (#SUP 5.54 )
&rst
ixpk= 5, nxpk= 0, iat= 753, 758, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 46 GLN HA 46 GLN HG3 3.470 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 753, 759, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 46 GLN HA 49 GLN HB2 3.740 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 753, 802, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 46 GLN HA 49 GLN HB3 4.020 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 753, 803, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 46 GLN HB3 46 GLN HG2 3.410 (#SUP 2.94 )
&rst
ixpk= 2, nxpk= 0, iat= 756, 758, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 47 ILE HA 47 ILE HB 3.720 (#SUP 6.21 )
&rst
ixpk= 6, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 47 ILE HA 47 ILE HG12 3.710 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 770, 778, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 47 ILE HA 47 ILE HG13 3.290 (#SUP 4.43 )
&rst
ixpk= 4, nxpk= 0, iat= 770, 779, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 47 ILE HA 47 ILE QD1 3.710 (#SUP 6.01 )
&rst
ixpk= 6, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 781, 782, 783,
&end
#
# 47 ILE HA 47 ILE QG2 3.500 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 774, 775, 776,
&end
#
# 47 ILE HB 47 ILE QD1 3.320 (#SUP 5.51 )
&rst
ixpk= 5, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2= 781, 782, 783,
&end
#
# 47 ILE HB 47 ILE QG2 3.190 (#SUP 6.82 )
&rst
ixpk= 6, nxpk= 0, iat= 772, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 774, 775, 776,
&end
#
# 47 ILE HG12 47 ILE HG13 2.800 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= 778, 779, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 47 ILE HG12 47 ILE QD1 2.870 (#SUP 5.42 )
&rst
ixpk= 5, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 781, 782, 783,
&end
#
# 47 ILE HG12 47 ILE QG2 3.580 (#SUP 5.89 )
&rst
ixpk= 5, nxpk= 0, iat= 778, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 774, 775, 776,
&end
#
# 47 ILE HG13 47 ILE QG2 3.840 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 779, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 774, 775, 776,
&end
#
# 47 ILE QD1 47 ILE QG2 3.140 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 781, 782, 783,
igr2= 774, 775, 776,
&end
#
# 47 ILE QG2 48 SER HA 4.290 (#SUP 3.91 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 774, 775, 776,
&end
#
# 47 ILE QG2 54 PHE HB2 4.200 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 885, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 774, 775, 776,
&end
#
# 47 ILE QG2 54 PHE HB3 3.940 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 886, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 774, 775, 776,
&end
#
# 48 SER HA 48 SER HB2 3.150 (#SUP 2.91 )
&rst
ixpk= 2, nxpk= 0, iat= 789, 791, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 48 SER HA 51 GLN HB2 3.920 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 789, 836, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 48 SER HA 51 GLN HB3 4.590 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 789, 837, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 48 SER HA 51 GLN QG 3.620 (#SUP 1.49 )
&rst
ixpk= 1, nxpk= 0, iat= 789, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 839, 840,
&end
#
# 49 GLN HA 49 GLN HB2 3.440 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 800, 802, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 49 GLN HA 49 GLN HB3 3.320 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 800, 803, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 49 GLN HA 49 GLN HG2 3.790 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 49 GLN HA 49 GLN HG3 3.710 (#SUP 5.08 )
&rst
ixpk= 5, nxpk= 0, iat= 800, 806, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 49 GLN HB2 49 GLN HB3 2.460 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 802, 803, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 49 GLN HB2 49 GLN HG2 3.670 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 802, 805, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 49 GLN HB2 49 GLN HG3 3.160 (#SUP 5.08 )
&rst
ixpk= 5, nxpk= 0, iat= 802, 806, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 49 GLN HB3 49 GLN HG2 3.460 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 803, 805, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 49 GLN HB3 49 GLN HG3 3.350 (#SUP 5.08 )
&rst
ixpk= 5, nxpk= 0, iat= 803, 806, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 50 HIS HA 50 HIS HB2 3.460 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 817, 819, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 50 HIS HA 50 HIS HB3 3.670 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 817, 820, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 50 HIS HB2 50 HIS HB3 2.710 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 819, 820, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21, &end
#
# 51 GLN HA 51 GLN HB2 3.350 (#SUP 4.20 )
&rst
ixpk= 4, nxpk= 0, iat= 834, 836, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 51 GLN HA 51 GLN HB3 3.440 (#SUP 4.77 )
&rst
ixpk= 4, nxpk= 0, iat= 834, 837, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 51 GLN HA 51 GLN QG 3.410 (#SUP 4.89 )
&rst
ixpk= 4, nxpk= 0, iat= 834, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 839, 840,
&end
#
# 51 GLN HA 54 PHE HB2 3.600 (#SUP 2.30 )
&rst
ixpk= 2, nxpk= 0, iat= 834, 885, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 51 GLN HA 54 PHE HB3 3.670 (#SUP 2.30 )
&rst
ixpk= 2, nxpk= 0, iat= 834, 886, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 51 GLN HB2 51 GLN HB3 2.520 (#SUP 5.17 )
&rst
ixpk= 5, nxpk= 0, iat= 836, 837, r1= 1.30, r2= 1.80, r3= 2.52, r4= 3.02, &end
#
# 51 GLN HB2 51 GLN QG 2.920 (#SUP 5.57 )
&rst
ixpk= 5, nxpk= 0, iat= 836, -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
igr2= 839, 840,
&end
#
# 51 GLN HB3 51 GLN QG 3.040 (#SUP 5.50 )
&rst
ixpk= 5, nxpk= 0, iat= 837, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 839, 840,
&end
#
# 51 GLN QG 55 ILE QD1 4.170 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 839, 840,
igr2= 914, 915, 916,
&end
#
# 52 GLU- HA 52 GLU- HB2 3.130 (#SUP 3.97 )
&rst
ixpk= 3, nxpk= 0, iat= 851, 853, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 52 GLU- HA 52 GLU- HB3 3.150 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 851, 854, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 52 GLU- HA 52 GLU- QG 3.490 (#SUP 3.76 )
&rst
ixpk= 3, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 856, 857,
&end
#
# 52 GLU- HA 55 ILE HB 3.500 (#SUP 1.25 )
&rst
ixpk= 1, nxpk= 0, iat= 851, 905, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 52 GLU- HA 55 ILE QD1 3.650 (#SUP 2.48 )
&rst
ixpk= 2, nxpk= 0, iat= 851, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 914, 915, 916,
&end
#
# 52 GLU- HB2 52 GLU- QG 2.860 (#SUP 3.72 )
&rst
ixpk= 3, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr2= 856, 857,
&end
#
# 52 GLU- HB3 52 GLU- QG 2.980 (#SUP 3.70 )
&rst
ixpk= 3, nxpk= 0, iat= 854, -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
igr2= 856, 857,
&end
#
# 53 HIS HA 53 HIS QB 3.290 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 868, 869,
&end
#
# 53 HIS HA 56 GLN QB 3.160 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 924, 925,
&end
#
# 54 PHE HA 54 PHE HB2 3.660 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 883, 885, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 54 PHE HA 54 PHE HB3 3.440 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 883, 886, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 54 PHE HA 57 MET HB2 3.810 (#SUP 1.74 )
&rst
ixpk= 1, nxpk= 0, iat= 883, 941, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 54 PHE HA 57 MET HB3 4.630 (#SUP 1.74 )
&rst
ixpk= 1, nxpk= 0, iat= 883, 942, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 54 PHE HA 58 LEU HB2 4.510 (#SUP 1.98 )
&rst
ixpk= 1, nxpk= 0, iat= 883, 958, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 54 PHE HB2 54 PHE HB3 2.740 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= 885, 886, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24, &end
#
# 55 ILE HA 55 ILE HB 3.570 (#SUP 6.27 )
&rst
ixpk= 6, nxpk= 0, iat= 903, 905, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 55 ILE HA 55 ILE HG12 3.540 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 903, 911, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 55 ILE HA 55 ILE HG13 3.440 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 903, 912, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 55 ILE HA 55 ILE QD1 3.590 (#SUP 4.91 )
&rst
ixpk= 4, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 914, 915, 916,
&end
#
# 55 ILE HA 55 ILE QG2 3.110 (#SUP 4.92 )
&rst
ixpk= 4, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 907, 908, 909,
&end
#
# 55 ILE HA 58 LEU HB2 3.750 (#SUP 2.97 )
&rst
ixpk= 2, nxpk= 0, iat= 903, 958, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 55 ILE HA 58 LEU HB3 4.550 (#SUP 2.25 )
&rst
ixpk= 2, nxpk= 0, iat= 903, 959, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 55 ILE HA 58 LEU QD1 3.500 (#SUP 4.64 )
&rst
ixpk= 4, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 963, 964, 965,
&end
#
# 55 ILE HB 55 ILE HG12 3.090 (#SUP 6.27 )
&rst
ixpk= 6, nxpk= 0, iat= 905, 911, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 55 ILE HB 55 ILE HG13 3.440 (#SUP 5.59 )
&rst
ixpk= 5, nxpk= 0, iat= 905, 912, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 55 ILE HB 55 ILE QD1 3.430 (#SUP 5.39 )
&rst
ixpk= 5, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 914, 915, 916,
&end
#
# 55 ILE HB 55 ILE QG2 2.880 (#SUP 5.19 )
&rst
ixpk= 5, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 907, 908, 909,
&end
#
# 55 ILE HB 58 LEU QD1 4.330 (#SUP 1.49 )
&rst
ixpk= 1, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 963, 964, 965,
&end
#
# 55 ILE HG12 55 ILE HG13 2.620 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 911, 912, r1= 1.30, r2= 1.80, r3= 2.62, r4= 3.12, &end
#
# 55 ILE HG12 55 ILE QD1 3.040 (#SUP 4.79 )
&rst
ixpk= 4, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 914, 915, 916,
&end
#
# 55 ILE HG12 55 ILE QG2 3.510 (#SUP 5.04 )
&rst
ixpk= 5, nxpk= 0, iat= 911, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 907, 908, 909,
&end
#
# 55 ILE HG13 55 ILE QD1 3.000 (#SUP 4.53 )
&rst
ixpk= 4, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 914, 915, 916,
&end
#
# 55 ILE HG13 55 ILE QG2 3.390 (#SUP 4.34 )
&rst
ixpk= 4, nxpk= 0, iat= 912, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 907, 908, 909,
&end
#
# 55 ILE QD1 58 LEU QD1 4.340 (#SUP 1.44 )
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 914, 915, 916,
igr2= 963, 964, 965,
&end
#
# 55 ILE QG2 56 GLN HA 3.560 (#SUP 3.71 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 922, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 907, 908, 909,
&end
#
# 56 GLN HA 56 GLN HG2 3.720 (#SUP 3.34 )
&rst
ixpk= 3, nxpk= 0, iat= 922, 927, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 56 GLN HA 56 GLN HG3 3.900 (#SUP 3.34 )
&rst
ixpk= 3, nxpk= 0, iat= 922, 928, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 56 GLN HA 56 GLN QB 3.030 (#SUP 3.35 )
&rst
ixpk= 3, nxpk= 0, iat= 922, -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
igr2= 924, 925,
&end
#
# 56 GLN HA 59 ASN HB3 3.930 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 922, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 57 MET HA 57 MET HB2 3.860 (#SUP 4.85 )
&rst
ixpk= 4, nxpk= 0, iat= 939, 941, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 57 MET HA 57 MET HB3 3.380 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 939, 942, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 57 MET HA 57 MET HG2 3.380 (#SUP 3.93 )
&rst
ixpk= 3, nxpk= 0, iat= 939, 944, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 57 MET HA 57 MET HG3 3.600 (#SUP 4.57 )
&rst
ixpk= 4, nxpk= 0, iat= 939, 945, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 57 MET HA 60 GLU- HG2 4.200 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 939, 994, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 57 MET HA 60 GLU- HG3 4.660 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 939, 995, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 57 MET HB2 57 MET HB3 2.730 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 941, 942, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 58 LEU HA 58 LEU HB2 3.710 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= 956, 958, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 58 LEU HA 58 LEU HB3 3.540 (#SUP 5.98 )
&rst
ixpk= 5, nxpk= 0, iat= 956, 959, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 58 LEU HA 58 LEU HG 3.640 (#SUP 5.27 )
&rst
ixpk= 5, nxpk= 0, iat= 956, 961, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 58 LEU HA 58 LEU QD1 4.320 (#SUP 5.37 )
&rst
ixpk= 5, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 963, 964, 965,
&end
#
# 58 LEU HA 58 LEU QD2 3.200 (#SUP 5.41 )
&rst
ixpk= 5, nxpk= 0, iat= 956, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 967, 968, 969,
&end
#
# 58 LEU HB2 58 LEU HB3 2.730 (#SUP 6.28 )
&rst
ixpk= 6, nxpk= 0, iat= 958, 959, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23, &end
#
# 58 LEU HB2 58 LEU HG 3.370 (#SUP 5.57 )
&rst
ixpk= 5, nxpk= 0, iat= 958, 961, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 58 LEU HB2 58 LEU QD1 3.190 (#SUP 5.67 )
&rst
ixpk= 5, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2= 963, 964, 965,
&end
#
# 58 LEU HB2 58 LEU QD2 4.080 (#SUP 5.71 )
&rst
ixpk= 5, nxpk= 0, iat= 958, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 967, 968, 969,
&end
#
# 58 LEU HB3 58 LEU QD2 3.460 (#SUP 4.40 )
&rst
ixpk= 4, nxpk= 0, iat= 959, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 967, 968, 969,
&end
#
# 58 LEU HG 58 LEU QD1 2.620 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
igr2= 963, 964, 965,
&end
#
# 58 LEU HG 58 LEU QD2 3.360 (#SUP 4.96 )
&rst
ixpk= 4, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 967, 968, 969,
&end
#
# 59 ASN HA 59 ASN HB2 3.290 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat= 975, 977, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 59 ASN HA 59 ASN HB3 3.410 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 975, 978, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 59 ASN HB2 59 ASN HB3 2.450 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 977, 978, r1= 1.30, r2= 1.80, r3= 2.45, r4= 2.95, &end
#
# 60 GLU- HA 60 GLU- HG2 4.160 (#SUP 4.44 )
&rst
ixpk= 4, nxpk= 0, iat= 989, 994, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 60 GLU- HA 60 GLU- HG3 3.540 (#SUP 3.87 )
&rst
ixpk= 3, nxpk= 0, iat= 989, 995, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 60 GLU- HA 60 GLU- QB 3.320 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 989, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 991, 992,
&end
#
# 60 GLU- HA 61 PRO HD2 3.120 (#SUP 4.39 )
&rst
ixpk= 4, nxpk= 0, iat= 989,1003, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 60 GLU- HA 61 PRO HD3 3.230 (#SUP 5.49 )
&rst
ixpk= 5, nxpk= 0, iat= 989,1004, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 60 GLU- HG2 60 GLU- HG3 2.460 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 994, 995, r1= 1.30, r2= 1.80, r3= 2.46, r4= 2.96, &end
#
# 60 GLU- HG2 60 GLU- QB 3.300 (#SUP 4.30 )
&rst
ixpk= 4, nxpk= 0, iat= 994, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 991, 992,
&end
#
# 60 GLU- HG2 61 PRO HD3 5.350 (#SUP 5.05 )
&rst
ixpk= 5, nxpk= 0, iat= 994,1004, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85, &end
#
# 60 GLU- HG3 60 GLU- QB 3.160 (#SUP 3.61 )
&rst
ixpk= 3, nxpk= 0, iat= 995, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 991, 992,
&end
#
# 60 GLU- QB 61 PRO HD3 3.550 (#SUP 4.91 )
&rst
ixpk= 4, nxpk= 0, iat= -1,1004, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 991, 992,
&end
#
# 61 PRO HA 61 PRO HB2 3.340 (#SUP 5.25 )
&rst
ixpk= 5, nxpk= 0, iat=1012,1009, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 61 PRO HA 61 PRO HB3 3.610 (#SUP 5.25 )
&rst
ixpk= 5, nxpk= 0, iat=1012,1010, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 61 PRO HA 61 PRO QG 3.450 (#SUP 4.58 )
&rst
ixpk= 4, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1006,1007,
&end
#
# 61 PRO HA 62 VAL QG1 4.610 (#SUP 2.93 )
&rst
ixpk= 2, nxpk= 0, iat=1012, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2=1022,1023,1024,
&end
#
# 61 PRO HB2 61 PRO HB3 2.540 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat=1009,1010, r1= 1.30, r2= 1.80, r3= 2.54, r4= 3.04, &end
#
# 61 PRO HB2 61 PRO HD2 4.040 (#SUP 5.07 )
&rst
ixpk= 5, nxpk= 0, iat=1009,1003, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 61 PRO HB2 61 PRO HD3 3.940 (#SUP 5.71 )
&rst
ixpk= 5, nxpk= 0, iat=1009,1004, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 61 PRO HB2 61 PRO QG 2.620 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat=1009, -1, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,
igr2=1006,1007,
&end
#
# 61 PRO HB3 61 PRO HD2 4.490 (#SUP 5.07 )
&rst
ixpk= 5, nxpk= 0, iat=1010,1003, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 61 PRO HB3 61 PRO HD3 3.800 (#SUP 5.71 )
&rst
ixpk= 5, nxpk= 0, iat=1010,1004, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 PRO HB3 61 PRO QG 2.750 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat=1010, -1, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,
igr2=1006,1007,
&end
#
# 61 PRO HD2 61 PRO HD3 2.640 (#SUP 5.62 )
&rst
ixpk= 5, nxpk= 0, iat=1003,1004, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14, &end
#
# 61 PRO HD2 61 PRO QG 3.020 (#SUP 4.76 )
&rst
ixpk= 4, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
igr2=1006,1007,
&end
#
# 61 PRO HD3 61 PRO QG 2.950 (#SUP 5.39 )
&rst
ixpk= 5, nxpk= 0, iat=1004, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2=1006,1007,
&end
#
# 62 VAL HA 62 VAL HB 3.620 (#SUP 3.75 )
&rst
ixpk= 3, nxpk= 0, iat=1018,1020, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 62 VAL HA 62 VAL QG1 3.730 (#SUP 3.54 )
&rst
ixpk= 3, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2=1022,1023,1024,
&end
#
# 62 VAL HA 62 VAL QG2 3.480 (#SUP 3.47 )
&rst
ixpk= 3, nxpk= 0, iat=1018, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1026,1027,1028,
&end
#
# 62 VAL HB 62 VAL QG1 3.000 (#SUP 3.47 )
&rst
ixpk= 3, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1022,1023,1024,
&end
#
# 62 VAL HB 62 VAL QG2 3.220 (#SUP 3.22 )
&rst
ixpk= 3, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1026,1027,1028,
&end
#
# 62 VAL QG2 63 GLN HG3 5.390 (#SUP 2.84 )
&rst
ixpk= 2, nxpk= 0, iat= -1,1040, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1=1026,1027,1028,
&end
#
# 63 GLN HA 63 GLN HB2 3.560 (#SUP 3.08 )
&rst
ixpk= 3, nxpk= 0, iat=1034,1036, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 63 GLN HA 63 GLN HB3 4.090 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat=1034,1037, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 63 GLN HA 63 GLN HG3 4.100 (#SUP 3.52 )
&rst
ixpk= 3, nxpk= 0, iat=1034,1040, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 63 GLN HB2 63 GLN HG3 2.800 (#SUP 2.98 )
&rst
ixpk= 2, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 63 GLN HB3 63 GLN HG3 3.170 (#SUP 3.14 )
&rst
ixpk= 3, nxpk= 0, iat=1037,1040, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 64 GLU- HA 64 GLU- HB2 3.720 (#SUP 3.51 )
&rst
ixpk= 3, nxpk= 0, iat=1051,1053, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 64 GLU- HA 64 GLU- HB3 3.780 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat=1051,1054, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 64 GLU- HA 64 GLU- QG 4.400 (#SUP 2.61 )
&rst
ixpk= 2, nxpk= 0, iat=1051, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1056,1057,
&end
#
# 64 GLU- HB2 64 GLU- HB3 2.400 (#SUP 3.19 )
&rst
ixpk= 3, nxpk= 0, iat=1053,1054, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 64 GLU- HB2 64 GLU- QG 2.550 (#SUP 2.50 )
&rst
ixpk= 2, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,
igr2=1056,1057,
&end
#
# 64 GLU- HB3 64 GLU- QG 2.900 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat=1054, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2=1056,1057,
&end
#
# 65 ALA HA 65 ALA QB 3.690 (#SUP 1.00 )
&rst
ixpk= 1, nxpk= 0, iat=1066, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1068,1069,1070,
&end
#
# 5 PRO HA 6 LEU HN 4.180 (#SUP 4.38 )
&rst
ixpk= 4, nxpk= 0, iat= 66, 70, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 6 LEU HA 6 LEU HN 4.560 (#SUP 5.02 )
&rst
ixpk= 5, nxpk= 0, iat= 72, 70, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 6 LEU HA 7 GLU- HN 5.500 (#SUP 3.66 )
&rst
ixpk= 3, nxpk= 0, iat= 72, 89, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 6 LEU HB2 6 LEU HN 4.720 (#SUP 4.78 )
&rst
ixpk= 4, nxpk= 0, iat= 74, 70, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 6 LEU HB3 6 LEU HN 4.260 (#SUP 4.29 )
&rst
ixpk= 4, nxpk= 0, iat= 75, 70, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 6 LEU HN 6 LEU QD2 4.700 (#SUP 5.11 )
&rst
ixpk= 5, nxpk= 0, iat= 70, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 83, 84, 85,
&end
#
# 6 LEU HN 7 GLU- HN 4.620 (#SUP 3.44 )
&rst
ixpk= 3, nxpk= 0, iat= 70, 89, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 6 LEU QD1 50 HIS HN 5.150 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD1 54 PHE HN 4.830 (#SUP 3.00 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 79, 80, 81,
&end
#
# 6 LEU QD2 46 GLN HN 5.500 (#SUP 3.46 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 83, 84, 85,
&end
#
# 6 LEU QD2 47 ILE HN 5.030 (#SUP 4.34 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 83, 84, 85,
&end
#
# 7 GLU- HA 7 GLU- HN 4.370 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 91, 89, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 7 GLU- HA 8 PHE HN 5.420 (#SUP 4.82 )
&rst
ixpk= 4, nxpk= 0, iat= 91, 104, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92, &end
#
# 7 GLU- HA 9 LEU HN 4.930 (#SUP 4.25 )
&rst
ixpk= 4, nxpk= 0, iat= 91, 124, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 7 GLU- HA 10 ARG+ HN 5.040 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 91, 143, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 7 GLU- HB2 7 GLU- HN 4.150 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 93, 89, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 7 GLU- HB3 7 GLU- HN 4.220 (#SUP 4.68 )
&rst
ixpk= 4, nxpk= 0, iat= 94, 89, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 7 GLU- HB3 8 PHE HN 4.930 (#SUP 3.39 )
&rst
ixpk= 3, nxpk= 0, iat= 94, 104, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43, &end
#
# 7 GLU- HN 7 GLU- QG 4.160 (#SUP 4.04 )
&rst
ixpk= 4, nxpk= 0, iat= 89, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 96, 97,
&end
#
# 7 GLU- HN 8 PHE HN 4.130 (#SUP 3.58 )
&rst
ixpk= 3, nxpk= 0, iat= 89, 104, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 8 PHE HA 8 PHE HN 4.330 (#SUP 3.92 )
&rst
ixpk= 3, nxpk= 0, iat= 106, 104, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 PHE HA 9 LEU HN 5.230 (#SUP 5.09 )
&rst
ixpk= 5, nxpk= 0, iat= 106, 124, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 8 PHE HB2 8 PHE HN 4.280 (#SUP 3.92 )
&rst
ixpk= 3, nxpk= 0, iat= 108, 104, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 8 PHE HB2 9 LEU HN 5.360 (#SUP 5.09 )
&rst
ixpk= 5, nxpk= 0, iat= 108, 124, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 8 PHE HB3 8 PHE HN 4.140 (#SUP 3.92 )
&rst
ixpk= 3, nxpk= 0, iat= 109, 104, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 8 PHE HB3 9 LEU HN 4.990 (#SUP 5.09 )
&rst
ixpk= 5, nxpk= 0, iat= 109, 124, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 8 PHE HN 9 LEU HN 4.430 (#SUP 5.71 )
&rst
ixpk= 5, nxpk= 0, iat= 104, 124, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 9 LEU HA 9 LEU HN 4.060 (#SUP 7.93 )
&rst
ixpk= 7, nxpk= 0, iat= 126, 124, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 9 LEU HA 10 ARG+ HN 4.640 (#SUP 5.16 )
&rst
ixpk= 5, nxpk= 0, iat= 126, 143, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 9 LEU HA 12 GLN HN 5.140 (#SUP 2.97 )
&rst
ixpk= 2, nxpk= 0, iat= 126, 181, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 9 LEU HB2 9 LEU HN 3.880 (#SUP 7.56 )
&rst
ixpk= 7, nxpk= 0, iat= 128, 124, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 9 LEU HB2 10 ARG+ HN 4.890 (#SUP 4.18 )
&rst
ixpk= 4, nxpk= 0, iat= 128, 143, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 9 LEU HB3 9 LEU HN 4.410 (#SUP 7.32 )
&rst
ixpk= 7, nxpk= 0, iat= 129, 124, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 9 LEU HB3 10 ARG+ HN 5.080 (#SUP 3.82 )
&rst
ixpk= 3, nxpk= 0, iat= 129, 143, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 9 LEU HG 9 LEU HN 3.940 (#SUP 6.51 )
&rst
ixpk= 6, nxpk= 0, iat= 131, 124, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 9 LEU HN 9 LEU QD1 4.700 (#SUP 6.85 )
&rst
ixpk= 6, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 133, 134, 135,
&end
#
# 9 LEU HN 9 LEU QD2 4.610 (#SUP 7.21 )
&rst
ixpk= 7, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 137, 138, 139,
&end
#
# 9 LEU HN 10 ARG+ HN 3.970 (#SUP 6.16 )
&rst
ixpk= 6, nxpk= 0, iat= 124, 143, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 9 LEU HN 10 ARG+ QB 4.580 (#SUP 5.73 )
&rst
ixpk= 5, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 147, 148,
&end
#
# 9 LEU HN 10 ARG+ QG 5.500 (#SUP 5.23 )
&rst
ixpk= 5, nxpk= 0, iat= 124, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 150, 151,
&end
#
# 10 ARG+ HA 10 ARG+ HN 4.120 (#SUP 4.34 )
&rst
ixpk= 4, nxpk= 0, iat= 145, 143, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 10 ARG+ HA 11 ASN HN 4.600 (#SUP 4.63 )
&rst
ixpk= 4, nxpk= 0, iat= 145, 167, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 10 ARG+ HA 12 GLN HN 5.500 (#SUP 1.60 )
&rst
ixpk= 1, nxpk= 0, iat= 145, 181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 10 ARG+ HN 10 ARG+ QB 3.450 (#SUP 6.10 )
&rst
ixpk= 6, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 147, 148,
&end
#
# 10 ARG+ HN 10 ARG+ QG 3.970 (#SUP 5.84 )
&rst
ixpk= 5, nxpk= 0, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 150, 151,
&end
#
# 10 ARG+ HN 11 ASN HN 4.170 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat= 143, 167, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 10 ARG+ QB 11 ASN HN 4.190 (#SUP 4.52 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 147, 148,
&end
#
# 10 ARG+ QG 11 ASN HN 5.110 (#SUP 4.52 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 167, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 150, 151,
&end
#
# 11 ASN HB2 11 ASN HD21 4.810 (#SUP 2.63 )
&rst
ixpk= 2, nxpk= 0, iat= 171, 176, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 11 ASN HB2 11 ASN HN 4.340 (#SUP 3.67 )
&rst
ixpk= 3, nxpk= 0, iat= 171, 167, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 11 ASN HB2 12 GLN HN 5.370 (#SUP 3.32 )
&rst
ixpk= 3, nxpk= 0, iat= 171, 181, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 11 ASN HB3 11 ASN HD21 4.560 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 172, 176, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 11 ASN HB3 11 ASN HD22 4.590 (#SUP 2.21 )
&rst
ixpk= 2, nxpk= 0, iat= 172, 177, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 11 ASN HB3 11 ASN HN 3.980 (#SUP 3.42 )
&rst
ixpk= 3, nxpk= 0, iat= 172, 167, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 11 ASN HD21 11 ASN HD22 3.070 (#SUP 1.93 )
&rst
ixpk= 1, nxpk= 0, iat= 176, 177, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 11 ASN HN 12 GLN HN 4.050 (#SUP 3.44 )
&rst
ixpk= 3, nxpk= 0, iat= 167, 181, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 12 GLN HA 12 GLN HN 3.720 (#SUP 4.32 )
&rst
ixpk= 4, nxpk= 0, iat= 183, 181, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 12 GLN HG2 12 GLN HN 4.510 (#SUP 4.21 )
&rst
ixpk= 4, nxpk= 0, iat= 188, 181, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 12 GLN HG3 12 GLN HN 3.790 (#SUP 3.99 )
&rst
ixpk= 3, nxpk= 0, iat= 189, 181, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 12 GLN HN 12 GLN QB 3.780 (#SUP 3.99 )
&rst
ixpk= 3, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 185, 186,
&end
#
# 12 GLN HN 13 PRO HD2 5.330 (#SUP 4.45 )
&rst
ixpk= 4, nxpk= 0, iat= 181, 199, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 12 GLN HN 13 PRO HD3 5.500 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 181, 200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 14 GLN HN 14 GLN QB 4.760 (#SUP 2.95 )
&rst
ixpk= 2, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 216, 217,
&end
#
# 14 GLN HN 14 GLN QG 5.500 (#SUP 2.67 )
&rst
ixpk= 2, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 219, 220,
&end
#
# 14 GLN HN 15 PHE HN 4.550 (#SUP 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 212, 229, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 14 GLN QB 15 PHE HN 4.060 (#SUP 4.19 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 216, 217,
&end
#
# 14 GLN QG 15 PHE HN 5.110 (#SUP 4.18 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 229, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 219, 220,
&end
#
# 15 PHE HA 15 PHE HN 3.820 (#SUP 4.28 )
&rst
ixpk= 4, nxpk= 0, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 15 PHE HA 16 GLN HN 4.500 (#SUP 4.95 )
&rst
ixpk= 4, nxpk= 0, iat= 231, 249, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 15 PHE HA 17 GLN HN 4.350 (#SUP 3.26 )
&rst
ixpk= 3, nxpk= 0, iat= 231, 266, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 15 PHE HA 18 MET HN 4.190 (#SUP 1.70 )
&rst
ixpk= 1, nxpk= 0, iat= 231, 283, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 15 PHE HB2 15 PHE HN 3.750 (#SUP 4.28 )
&rst
ixpk= 4, nxpk= 0, iat= 233, 229, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 15 PHE HB2 16 GLN HN 4.360 (#SUP 3.92 )
&rst
ixpk= 3, nxpk= 0, iat= 233, 249, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 15 PHE HB3 15 PHE HN 3.620 (#SUP 4.28 )
&rst
ixpk= 4, nxpk= 0, iat= 234, 229, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 15 PHE HB3 16 GLN HN 4.880 (#SUP 3.92 )
&rst
ixpk= 3, nxpk= 0, iat= 234, 249, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 15 PHE HN 16 GLN HN 3.880 (#SUP 5.79 )
&rst
ixpk= 5, nxpk= 0, iat= 229, 249, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 15 PHE HN 16 GLN QB 4.220 (#SUP 3.46 )
&rst
ixpk= 3, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 253, 254,
&end
#
# 15 PHE HN 17 GLN HN 5.500 (#SUP 2.59 )
&rst
ixpk= 2, nxpk= 0, iat= 229, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 16 GLN HA 16 GLN HN 4.230 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 251, 249, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 16 GLN HA 17 GLN HN 4.800 (#SUP 3.86 )
&rst
ixpk= 3, nxpk= 0, iat= 251, 266, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 16 GLN HN 16 GLN QB 3.260 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 253, 254,
&end
#
# 16 GLN HN 16 GLN QG 3.520 (#SUP 4.60 )
&rst
ixpk= 4, nxpk= 0, iat= 249, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 256, 257,
&end
#
# 16 GLN HN 17 GLN HG3 4.300 (#SUP 2.90 )
&rst
ixpk= 2, nxpk= 0, iat= 249, 274, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 16 GLN HN 17 GLN HN 3.860 (#SUP 5.55 )
&rst
ixpk= 5, nxpk= 0, iat= 249, 266, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 17 GLN HA 17 GLN HN 3.940 (#SUP 5.07 )
&rst
ixpk= 5, nxpk= 0, iat= 268, 266, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 17 GLN HA 18 MET HN 4.530 (#SUP 3.92 )
&rst
ixpk= 3, nxpk= 0, iat= 268, 283, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 17 GLN HA 20 GLN HN 4.200 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 268, 324, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 17 GLN HA 21 ILE HN 5.500 (#SUP 2.13 )
&rst
ixpk= 2, nxpk= 0, iat= 268, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 17 GLN HB2 17 GLN HN 3.330 (#SUP 5.02 )
&rst
ixpk= 5, nxpk= 0, iat= 270, 266, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 17 GLN HB2 18 MET HN 3.920 (#SUP 3.52 )
&rst
ixpk= 3, nxpk= 0, iat= 270, 283, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 17 GLN HB3 17 GLN HN 3.800 (#SUP 4.68 )
&rst
ixpk= 4, nxpk= 0, iat= 271, 266, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 17 GLN HE21 17 GLN HE22 2.790 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 278, 279, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29, &end
#
# 17 GLN HE21 17 GLN HG2 4.640 (#SUP 3.39 )
&rst
ixpk= 3, nxpk= 0, iat= 278, 273, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 17 GLN HE21 17 GLN HG3 4.840 (#SUP 2.94 )
&rst
ixpk= 2, nxpk= 0, iat= 278, 274, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 17 GLN HE22 17 GLN HG2 4.870 (#SUP 3.39 )
&rst
ixpk= 3, nxpk= 0, iat= 279, 273, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 17 GLN HE22 17 GLN HG3 5.250 (#SUP 2.94 )
&rst
ixpk= 2, nxpk= 0, iat= 279, 274, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 17 GLN HG2 17 GLN HN 3.900 (#SUP 5.36 )
&rst
ixpk= 5, nxpk= 0, iat= 273, 266, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 17 GLN HG3 17 GLN HN 4.440 (#SUP 5.79 )
&rst
ixpk= 5, nxpk= 0, iat= 274, 266, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 18 MET HA 18 MET HN 3.810 (#SUP 5.62 )
&rst
ixpk= 5, nxpk= 0, iat= 285, 283, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 MET HA 19 ARG+ HN 4.180 (#SUP 5.70 )
&rst
ixpk= 5, nxpk= 0, iat= 285, 300, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 18 MET HA 21 ILE HN 5.500 (#SUP 2.04 )
&rst
ixpk= 2, nxpk= 0, iat= 285, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 18 MET HB2 18 MET HN 4.010 (#SUP 5.04 )
&rst
ixpk= 5, nxpk= 0, iat= 287, 283, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 18 MET HB3 18 MET HN 4.110 (#SUP 5.62 )
&rst
ixpk= 5, nxpk= 0, iat= 288, 283, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 18 MET HB3 19 ARG+ HN 4.860 (#SUP 5.70 )
&rst
ixpk= 5, nxpk= 0, iat= 288, 300, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 18 MET HG2 18 MET HN 3.650 (#SUP 5.62 )
&rst
ixpk= 5, nxpk= 0, iat= 290, 283, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 18 MET HG2 19 ARG+ HN 4.670 (#SUP 5.70 )
&rst
ixpk= 5, nxpk= 0, iat= 290, 300, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 18 MET HG3 18 MET HN 3.700 (#SUP 5.62 )
&rst
ixpk= 5, nxpk= 0, iat= 291, 283, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 18 MET HG3 19 ARG+ HN 4.150 (#SUP 5.70 )
&rst
ixpk= 5, nxpk= 0, iat= 291, 300, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 18 MET HN 19 ARG+ HN 3.810 (#SUP 5.53 )
&rst
ixpk= 5, nxpk= 0, iat= 283, 300, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 18 MET HN 32 LEU QD2 4.480 (#SUP 3.22 )
&rst
ixpk= 3, nxpk= 0, iat= 283, -1, r1= 1.30, r2= 1.80, r3= 5.625, r4= 5.88,
igr2= 527, 528, 529,
&end
#
# 19 ARG+ HA 19 ARG+ HN 3.830 (#SUP 5.73 )
&rst
ixpk= 5, nxpk= 0, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 19 ARG+ HA 20 GLN HN 4.490 (#SUP 6.26 )
&rst
ixpk= 6, nxpk= 0, iat= 302, 324, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 19 ARG+ HA 21 ILE HN 5.500 (#SUP 4.78 )
&rst
ixpk= 4, nxpk= 0, iat= 302, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG+ HA 22 ILE HN 4.730 (#SUP 3.69 )
&rst
ixpk= 3, nxpk= 0, iat= 302, 360, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 ARG+ HD2 19 ARG+ HE 5.500 (#SUP 3.19 )
&rst
ixpk= 3, nxpk= 0, iat= 310, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG+ HD3 19 ARG+ HE 5.500 (#SUP 3.19 )
&rst
ixpk= 3, nxpk= 0, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 19 ARG+ HG2 19 ARG+ HN 4.230 (#SUP 6.34 )
&rst
ixpk= 6, nxpk= 0, iat= 307, 300, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 19 ARG+ HG2 20 GLN HN 4.730 (#SUP 5.84 )
&rst
ixpk= 5, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 19 ARG+ HG3 19 ARG+ HN 4.160 (#SUP 6.34 )
&rst
ixpk= 6, nxpk= 0, iat= 308, 300, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 19 ARG+ HG3 20 GLN HN 4.800 (#SUP 5.84 )
&rst
ixpk= 5, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 19 ARG+ HN 19 ARG+ QB 3.500 (#SUP 6.68 )
&rst
ixpk= 6, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 304, 305,
&end
#
# 19 ARG+ HN 20 GLN HN 3.750 (#SUP 5.23 )
&rst
ixpk= 5, nxpk= 0, iat= 300, 324, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 19 ARG+ HN 58 LEU QD2 4.280 (#SUP 2.74 )
&rst
ixpk= 2, nxpk= 0, iat= 300, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 967, 968, 969,
&end
#
# 19 ARG+ QB 20 GLN HN 3.510 (#SUP 6.16 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr1= 304, 305,
&end
#
# 20 GLN HA 20 GLN HN 3.740 (#SUP 5.94 )
&rst
ixpk= 5, nxpk= 0, iat= 326, 324, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 20 GLN HA 21 ILE HN 4.700 (#SUP 5.82 )
&rst
ixpk= 5, nxpk= 0, iat= 326, 341, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 20 GLN HE21 20 GLN HE22 2.850 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 336, 337, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35, &end
#
# 20 GLN HE21 20 GLN HG2 5.180 (#SUP 3.39 )
&rst
ixpk= 3, nxpk= 0, iat= 336, 331, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68, &end
#
# 20 GLN HE21 20 GLN HG3 5.370 (#SUP 3.08 )
&rst
ixpk= 3, nxpk= 0, iat= 336, 332, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 20 GLN HE22 20 GLN HG2 4.800 (#SUP 3.39 )
&rst
ixpk= 3, nxpk= 0, iat= 337, 331, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 20 GLN HE22 20 GLN HG3 4.550 (#SUP 3.08 )
&rst
ixpk= 3, nxpk= 0, iat= 337, 332, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 20 GLN HG2 20 GLN HN 3.770 (#SUP 6.55 )
&rst
ixpk= 6, nxpk= 0, iat= 331, 324, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 20 GLN HG2 21 ILE HN 5.500 (#SUP 6.43 )
&rst
ixpk= 6, nxpk= 0, iat= 331, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLN HG3 20 GLN HN 4.330 (#SUP 6.43 )
&rst
ixpk= 6, nxpk= 0, iat= 332, 324, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 20 GLN HG3 21 ILE HN 5.500 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= 332, 341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 20 GLN HN 20 GLN QB 3.110 (#SUP 6.07 )
&rst
ixpk= 6, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 328, 329,
&end
#
# 20 GLN HN 21 ILE HG12 4.990 (#SUP 4.22 )
&rst
ixpk= 4, nxpk= 0, iat= 324, 351, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 20 GLN HN 21 ILE HN 3.750 (#SUP 7.17 )
&rst
ixpk= 7, nxpk= 0, iat= 324, 341, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 20 GLN HN 62 VAL QG1 4.720 (#SUP 1.38 )
&rst
ixpk= 1, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2=1022,1023,1024,
&end
#
# 20 GLN QB 21 ILE HN 4.000 (#SUP 7.20 )
&rst
ixpk= 7, nxpk= 0, iat= -1, 341, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 328, 329,
&end
#
# 21 ILE HA 21 ILE HN 4.000 (#SUP 7.30 )
&rst
ixpk= 7, nxpk= 0, iat= 343, 341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 21 ILE HB 21 ILE HN 3.400 (#SUP 6.99 )
&rst
ixpk= 6, nxpk= 0, iat= 345, 341, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 21 ILE HB 22 ILE HN 3.770 (#SUP 5.88 )
&rst
ixpk= 5, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 ILE HG12 21 ILE HN 3.720 (#SUP 7.70 )
&rst
ixpk= 7, nxpk= 0, iat= 351, 341, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 21 ILE HG12 22 ILE HN 4.360 (#SUP 6.04 )
&rst
ixpk= 6, nxpk= 0, iat= 351, 360, r1= 1.30, r2= 1.80, r3= 4.597, r4= 4.86, &end
#
# 21 ILE HG13 21 ILE HN 3.520 (#SUP 6.55 )
&rst
ixpk= 6, nxpk= 0, iat= 352, 341, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 21 ILE HN 21 ILE QG2 3.720 (#SUP 6.06 )
&rst
ixpk= 6, nxpk= 0, iat= 341, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 347, 348, 349,
&end
#
# 21 ILE HN 22 ILE HN 3.750 (#SUP 5.97 )
&rst
ixpk= 5, nxpk= 0, iat= 341, 360, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 22 ILE HA 22 ILE HN 3.780 (#SUP 6.34 )
&rst
ixpk= 6, nxpk= 0, iat= 362, 360, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 22 ILE HA 23 GLN HN 4.600 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= 362, 379, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 22 ILE HA 25 ASN HN 4.140 (#SUP 1.27 )
&rst
ixpk= 1, nxpk= 0, iat= 362, 413, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 22 ILE HB 22 ILE HN 3.760 (#SUP 6.34 )
&rst
ixpk= 6, nxpk= 0, iat= 364, 360, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 22 ILE HB 23 GLN HN 3.830 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= 364, 379, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 22 ILE HN 22 ILE QD1 4.330 (#SUP 6.34 )
&rst
ixpk= 6, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 373, 374, 375,
&end
#
# 22 ILE HN 22 ILE QG1 3.600 (#SUP 6.34 )
&rst
ixpk= 6, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 370, 371,
&end
#
# 22 ILE HN 22 ILE QG2 4.050 (#SUP 6.81 )
&rst
ixpk= 6, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 366, 367, 368,
&end
#
# 22 ILE HN 23 GLN HN 4.130 (#SUP 6.93 )
&rst
ixpk= 6, nxpk= 0, iat= 360, 379, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 22 ILE HN 23 GLN QB 4.270 (#SUP 4.72 )
&rst
ixpk= 4, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 383, 384,
&end
#
# 22 ILE HN 58 LEU QD2 5.500 (#SUP 2.80 )
&rst
ixpk= 2, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 967, 968, 969,
&end
#
# 22 ILE QD1 23 GLN HN 5.500 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 28 LEU HN 5.190 (#SUP 3.10 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 29 LEU HN 4.650 (#SUP 5.35 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 31 ALA HN 5.500 (#SUP 1.16 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 373, 374, 375,
&end
#
# 22 ILE QD1 32 LEU HN 4.220 (#SUP 2.05 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 373, 374, 375,
&end
#
# 22 ILE QG1 23 GLN HN 4.630 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 370, 371,
&end
#
# 22 ILE QG2 23 GLN HN 4.190 (#SUP 7.82 )
&rst
ixpk= 7, nxpk= 0, iat= -1, 379, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 24 GLN HN 4.610 (#SUP 3.63 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 366, 367, 368,
&end
#
# 22 ILE QG2 29 LEU HN 4.700 (#SUP 3.86 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 366, 367, 368,
&end
#
# 23 GLN HA 23 GLN HN 4.390 (#SUP 6.53 )
&rst
ixpk= 6, nxpk= 0, iat= 381, 379, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 23 GLN HA 24 GLN HN 4.310 (#SUP 5.15 )
&rst
ixpk= 5, nxpk= 0, iat= 381, 396, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 23 GLN HE21 23 GLN HE22 3.020 (#SUP 2.93 )
&rst
ixpk= 2, nxpk= 0, iat= 391, 392, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 23 GLN HE21 23 GLN HG2 4.190 (#SUP 3.83 )
&rst
ixpk= 3, nxpk= 0, iat= 391, 386, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 23 GLN HE21 23 GLN HG3 4.580 (#SUP 3.69 )
&rst
ixpk= 3, nxpk= 0, iat= 391, 387, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 23 GLN HE21 23 GLN QB 5.500 (#SUP 4.44 )
&rst
ixpk= 4, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 383, 384,
&end
#
# 23 GLN HE21 62 VAL HN 5.500 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 391,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLN HE22 23 GLN HG2 4.750 (#SUP 3.83 )
&rst
ixpk= 3, nxpk= 0, iat= 392, 386, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 23 GLN HE22 23 GLN HG3 5.100 (#SUP 3.69 )
&rst
ixpk= 3, nxpk= 0, iat= 392, 387, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60, &end
#
# 23 GLN HE22 23 GLN QB 5.230 (#SUP 4.44 )
&rst
ixpk= 4, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr2= 383, 384,
&end
#
# 23 GLN HE22 61 PRO HA 5.080 (#SUP 1.48 )
&rst
ixpk= 1, nxpk= 0, iat= 392,1012, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, &end
#
# 23 GLN HE22 62 VAL HN 5.500 (#SUP 2.89 )
&rst
ixpk= 2, nxpk= 0, iat= 392,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 23 GLN HE22 62 VAL QG1 5.500 (#SUP 1.46 )
&rst
ixpk= 1, nxpk= 0, iat= 392, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1022,1023,1024,
&end
#
# 23 GLN HG2 23 GLN HN 3.840 (#SUP 5.79 )
&rst
ixpk= 5, nxpk= 0, iat= 386, 379, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 23 GLN HG3 23 GLN HN 3.970 (#SUP 5.79 )
&rst
ixpk= 5, nxpk= 0, iat= 387, 379, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 23 GLN HN 23 GLN QB 3.260 (#SUP 7.17 )
&rst
ixpk= 7, nxpk= 0, iat= 379, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 383, 384,
&end
#
# 23 GLN HN 24 GLN HN 3.620 (#SUP 4.71 )
&rst
ixpk= 4, nxpk= 0, iat= 379, 396, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 23 GLN QB 24 GLN HN 3.480 (#SUP 5.15 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 396, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 383, 384,
&end
#
# 24 GLN HA 24 GLN HN 3.660 (#SUP 5.95 )
&rst
ixpk= 5, nxpk= 0, iat= 398, 396, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 24 GLN HA 25 ASN HN 4.160 (#SUP 5.39 )
&rst
ixpk= 5, nxpk= 0, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 24 GLN HB2 24 GLN HN 3.460 (#SUP 4.93 )
&rst
ixpk= 4, nxpk= 0, iat= 400, 396, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 24 GLN HB2 25 ASN HN 3.910 (#SUP 5.02 )
&rst
ixpk= 5, nxpk= 0, iat= 400, 413, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 24 GLN HB3 25 ASN HN 3.940 (#SUP 5.09 )
&rst
ixpk= 5, nxpk= 0, iat= 401, 413, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 24 GLN HG2 24 GLN HN 4.020 (#SUP 5.33 )
&rst
ixpk= 5, nxpk= 0, iat= 403, 396, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 24 GLN HG3 24 GLN HN 4.150 (#SUP 5.93 )
&rst
ixpk= 5, nxpk= 0, iat= 404, 396, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 24 GLN HG3 25 ASN HN 3.870 (#SUP 4.73 )
&rst
ixpk= 4, nxpk= 0, iat= 404, 413, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 24 GLN HN 25 ASN HN 3.240 (#SUP 5.02 )
&rst
ixpk= 5, nxpk= 0, iat= 396, 413, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 25 ASN HA 25 ASN HN 3.780 (#SUP 5.04 )
&rst
ixpk= 5, nxpk= 0, iat= 415, 413, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 25 ASN HB2 25 ASN HD21 4.580 (#SUP 3.07 )
&rst
ixpk= 3, nxpk= 0, iat= 417, 422, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 25 ASN HB2 25 ASN HD22 4.990 (#SUP 2.74 )
&rst
ixpk= 2, nxpk= 0, iat= 417, 423, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 25 ASN HB2 25 ASN HN 3.890 (#SUP 4.53 )
&rst
ixpk= 4, nxpk= 0, iat= 417, 413, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 25 ASN HB2 28 LEU HN 5.120 (#SUP 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 417, 452, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 25 ASN HB3 25 ASN HD21 4.410 (#SUP 3.07 )
&rst
ixpk= 3, nxpk= 0, iat= 418, 422, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 25 ASN HB3 25 ASN HD22 4.780 (#SUP 2.74 )
&rst
ixpk= 2, nxpk= 0, iat= 418, 423, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 25 ASN HB3 25 ASN HN 3.930 (#SUP 4.53 )
&rst
ixpk= 4, nxpk= 0, iat= 418, 413, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 25 ASN HB3 28 LEU HN 5.130 (#SUP 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 418, 452, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 25 ASN HD21 25 ASN HD22 3.120 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 422, 423, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 25 ASN HD21 26 PRO HG2 5.260 (#SUP 2.77 )
&rst
ixpk= 2, nxpk= 0, iat= 422, 431, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 25 ASN HD21 28 LEU HG 5.360 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 422, 459, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 25 ASN HD21 28 LEU QD1 5.500 (#SUP 4.96 )
&rst
ixpk= 4, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 461, 462, 463,
&end
#
# 25 ASN HD21 28 LEU QD2 4.860 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr2= 465, 466, 467,
&end
#
# 25 ASN HD22 28 LEU HG 5.500 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 423, 459, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 ASN HD22 28 LEU QD1 5.000 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 461, 462, 463,
&end
#
# 25 ASN HD22 28 LEU QD2 5.500 (#SUP 2.95 )
&rst
ixpk= 2, nxpk= 0, iat= 423, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 465, 466, 467,
&end
#
# 25 ASN HN 26 PRO HD3 4.220 (#SUP 3.54 )
&rst
ixpk= 3, nxpk= 0, iat= 413, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 26 PRO HB2 27 SER HN 5.040 (#SUP 5.94 )
&rst
ixpk= 5, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 26 PRO HB3 27 SER HN 5.000 (#SUP 5.91 )
&rst
ixpk= 5, nxpk= 0, iat= 435, 441, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 26 PRO HD2 27 SER HN 4.390 (#SUP 5.04 )
&rst
ixpk= 5, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 26 PRO HD3 27 SER HN 4.800 (#SUP 4.95 )
&rst
ixpk= 4, nxpk= 0, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 26 PRO HG3 27 SER HN 4.640 (#SUP 4.90 )
&rst
ixpk= 4, nxpk= 0, iat= 432, 441, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 27 SER HA 27 SER HN 3.870 (#SUP 3.49 )
&rst
ixpk= 3, nxpk= 0, iat= 443, 441, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 27 SER HA 28 LEU HN 4.570 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 443, 452, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 27 SER HA 29 LEU HN 5.330 (#SUP 2.76 )
&rst
ixpk= 2, nxpk= 0, iat= 443, 471, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 27 SER HN 27 SER QB 3.630 (#SUP 3.49 )
&rst
ixpk= 3, nxpk= 0, iat= 441, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 445, 446,
&end
#
# 27 SER HN 28 LEU HN 3.840 (#SUP 4.66 )
&rst
ixpk= 4, nxpk= 0, iat= 441, 452, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 27 SER QB 28 LEU HN 4.480 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 445, 446,
&end
#
# 27 SER QB 29 LEU HN 5.500 (#SUP 2.76 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 445, 446,
&end
#
# 28 LEU HA 28 LEU HN 3.820 (#SUP 7.05 )
&rst
ixpk= 7, nxpk= 0, iat= 454, 452, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 28 LEU HA 29 LEU HN 4.430 (#SUP 5.93 )
&rst
ixpk= 5, nxpk= 0, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 28 LEU HA 31 ALA HN 4.650 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 454, 504, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 28 LEU HB2 28 LEU HN 3.570 (#SUP 7.06 )
&rst
ixpk= 7, nxpk= 0, iat= 456, 452, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 28 LEU HB2 29 LEU HN 4.560 (#SUP 6.02 )
&rst
ixpk= 6, nxpk= 0, iat= 456, 471, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 28 LEU HB3 28 LEU HN 3.860 (#SUP 6.40 )
&rst
ixpk= 6, nxpk= 0, iat= 457, 452, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 28 LEU HG 28 LEU HN 3.600 (#SUP 6.40 )
&rst
ixpk= 6, nxpk= 0, iat= 459, 452, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 28 LEU HN 28 LEU QD1 4.110 (#SUP 6.47 )
&rst
ixpk= 6, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 461, 462, 463,
&end
#
# 28 LEU HN 28 LEU QD2 4.210 (#SUP 7.06 )
&rst
ixpk= 7, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 465, 466, 467,
&end
#
# 28 LEU HN 29 LEU HN 3.810 (#SUP 7.96 )
&rst
ixpk= 7, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 28 LEU HN 30 PRO HD2 4.990 (#SUP 1.43 )
&rst
ixpk= 1, nxpk= 0, iat= 452, 491, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 28 LEU QD2 29 LEU HN 5.440 (#SUP 6.17 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 471, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 465, 466, 467,
&end
#
# 28 LEU QD2 31 ALA HN 4.800 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 465, 466, 467,
&end
#
# 29 LEU HA 29 LEU HN 3.560 (#SUP 6.49 )
&rst
ixpk= 6, nxpk= 0, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 29 LEU HB2 29 LEU HN 3.660 (#SUP 6.96 )
&rst
ixpk= 6, nxpk= 0, iat= 475, 471, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 29 LEU HB3 29 LEU HN 3.420 (#SUP 6.14 )
&rst
ixpk= 6, nxpk= 0, iat= 476, 471, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 29 LEU HN 29 LEU QD2 4.390 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 471, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2= 484, 485, 486,
&end
#
# 29 LEU HN 30 PRO HD2 3.930 (#SUP 6.36 )
&rst
ixpk= 6, nxpk= 0, iat= 471, 491, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 29 LEU HN 30 PRO HD3 3.720 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= 471, 492, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 LEU QD1 32 LEU HN 4.980 (#SUP 2.05 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 480, 481, 482,
&end
#
# 29 LEU QD1 33 LEU HN 5.500 (#SUP 3.58 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 480, 481, 482,
&end
#
# 30 PRO HA 32 LEU HN 3.930 (#SUP 4.53 )
&rst
ixpk= 4, nxpk= 0, iat= 500, 514, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 30 PRO HA 33 LEU HN 3.960 (#SUP 7.28 )
&rst
ixpk= 7, nxpk= 0, iat= 500, 533, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 30 PRO HA 34 GLN HN 4.180 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 500, 552, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 30 PRO HB2 31 ALA HN 4.290 (#SUP 5.91 )
&rst
ixpk= 5, nxpk= 0, iat= 497, 504, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 30 PRO HB3 31 ALA HN 3.570 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 498, 504, r1= 1.30, r2= 1.80, r3= 3.708, r4= 4.07, &end
#
# 30 PRO HD2 31 ALA HN 4.070 (#SUP 5.03 )
&rst
ixpk= 5, nxpk= 0, iat= 491, 504, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 30 PRO HD3 31 ALA HN 4.590 (#SUP 5.04 )
&rst
ixpk= 5, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 30 PRO HG2 31 ALA HN 4.390 (#SUP 6.72 )
&rst
ixpk= 6, nxpk= 0, iat= 494, 504, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 31 ALA HA 31 ALA HN 3.540 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 31 ALA HN 31 ALA QB 3.200 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 504, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 508, 509, 510,
&end
#
# 31 ALA HN 32 LEU HN 3.580 (#SUP 5.09 )
&rst
ixpk= 5, nxpk= 0, iat= 504, 514, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 31 ALA HN 33 LEU HN 5.460 (#SUP 4.51 )
&rst
ixpk= 4, nxpk= 0, iat= 504, 533, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96, &end
#
# 31 ALA HN 34 GLN HN 5.310 (#SUP 4.23 )
&rst
ixpk= 4, nxpk= 0, iat= 504, 552, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 31 ALA QB 32 LEU HN 3.650 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 514, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 508, 509, 510,
&end
#
# 31 ALA QB 33 LEU HN 5.500 (#SUP 3.89 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 508, 509, 510,
&end
#
# 31 ALA QB 34 GLN HN 4.800 (#SUP 5.15 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 508, 509, 510,
&end
#
# 31 ALA QB 35 GLN HN 5.110 (#SUP 2.08 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr1= 508, 509, 510,
&end
#
# 32 LEU HA 32 LEU HN 3.870 (#SUP 6.03 )
&rst
ixpk= 6, nxpk= 0, iat= 516, 514, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 32 LEU HA 35 GLN HN 4.040 (#SUP 5.60 )
&rst
ixpk= 5, nxpk= 0, iat= 516, 569, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 32 LEU HB2 32 LEU HN 3.480 (#SUP 5.46 )
&rst
ixpk= 5, nxpk= 0, iat= 518, 514, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 32 LEU HB3 32 LEU HN 3.300 (#SUP 5.47 )
&rst
ixpk= 5, nxpk= 0, iat= 519, 514, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 32 LEU HB3 33 LEU HN 3.910 (#SUP 6.26 )
&rst
ixpk= 6, nxpk= 0, iat= 519, 533, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 32 LEU HB3 35 GLN HN 4.810 (#SUP 3.61 )
&rst
ixpk= 3, nxpk= 0, iat= 519, 569, r1= 1.30, r2= 1.80, r3= 5.012, r4= 5.31, &end
#
# 32 LEU HG 36 ILE HN 5.500 (#SUP 2.08 )
&rst
ixpk= 2, nxpk= 0, iat= 521, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 32 LEU HN 32 LEU QD2 4.000 (#SUP 4.81 )
&rst
ixpk= 4, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 5.015, r4= 5.30,
igr2= 527, 528, 529,
&end
#
# 32 LEU HN 33 LEU HN 3.760 (#SUP 8.71 )
&rst
ixpk= 8, nxpk= 0, iat= 514, 533, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 32 LEU HN 33 LEU QD1 4.060 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 514, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 542, 543, 544,
&end
#
# 32 LEU HN 34 GLN HN 4.330 (#SUP 5.76 )
&rst
ixpk= 5, nxpk= 0, iat= 514, 552, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 32 LEU QD1 33 LEU HN 5.500 (#SUP 6.41 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 533, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 523, 524, 525,
&end
#
# 32 LEU QD1 35 GLN HN 4.990 (#SUP 5.66 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 523, 524, 525,
&end
#
# 33 LEU HA 33 LEU HN 4.140 (#SUP 7.01 )
&rst
ixpk= 7, nxpk= 0, iat= 535, 533, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 33 LEU HA 34 GLN HN 4.730 (#SUP 7.22 )
&rst
ixpk= 7, nxpk= 0, iat= 535, 552, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 33 LEU HA 35 GLN HN 5.470 (#SUP 5.00 )
&rst
ixpk= 5, nxpk= 0, iat= 535, 569, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97, &end
#
# 33 LEU HA 36 ILE HN 4.690 (#SUP 4.00 )
&rst
ixpk= 4, nxpk= 0, iat= 535, 586, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 33 LEU HA 37 GLY HN 5.500 (#SUP 1.71 )
&rst
ixpk= 1, nxpk= 0, iat= 535, 605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 33 LEU HB2 33 LEU HN 3.500 (#SUP 7.04 )
&rst
ixpk= 7, nxpk= 0, iat= 537, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 33 LEU HB2 34 GLN HN 3.820 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 33 LEU HB3 33 LEU HN 4.020 (#SUP 7.36 )
&rst
ixpk= 7, nxpk= 0, iat= 538, 533, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 33 LEU HB3 34 GLN HN 4.230 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= 538, 552, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 33 LEU HG 33 LEU HN 3.670 (#SUP 6.98 )
&rst
ixpk= 6, nxpk= 0, iat= 540, 533, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 33 LEU HG 34 GLN HN 4.840 (#SUP 6.22 )
&rst
ixpk= 6, nxpk= 0, iat= 540, 552, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 33 LEU HN 33 LEU QD1 4.580 (#SUP 7.54 )
&rst
ixpk= 7, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 542, 543, 544,
&end
#
# 33 LEU HN 33 LEU QD2 4.240 (#SUP 7.04 )
&rst
ixpk= 7, nxpk= 0, iat= 533, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 546, 547, 548,
&end
#
# 33 LEU HN 34 GLN HN 3.750 (#SUP 6.84 )
&rst
ixpk= 6, nxpk= 0, iat= 533, 552, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 33 LEU QD1 34 GLN HN 4.530 (#SUP 7.96 )
&rst
ixpk= 7, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 542, 543, 544,
&end
#
# 33 LEU QD2 34 GLN HN 5.500 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 552, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 546, 547, 548,
&end
#
# 34 GLN HN 35 GLN HN 3.780 (#SUP 2.12 )
&rst
ixpk= 2, nxpk= 0, iat= 552, 569, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 35 GLN HA 35 GLN HN 3.590 (#SUP 3.95 )
&rst
ixpk= 3, nxpk= 0, iat= 571, 569, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 35 GLN HA 36 ILE HN 4.370 (#SUP 5.88 )
&rst
ixpk= 5, nxpk= 0, iat= 571, 586, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 35 GLN HA 37 GLY HN 4.220 (#SUP 5.23 )
&rst
ixpk= 5, nxpk= 0, iat= 571, 605, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 35 GLN HA 38 ARG+ HN 4.160 (#SUP 5.66 )
&rst
ixpk= 5, nxpk= 0, iat= 571, 612, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 35 GLN HA 39 GLU- HN 5.270 (#SUP 2.40 )
&rst
ixpk= 2, nxpk= 0, iat= 571, 636, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77, &end
#
# 35 GLN HE21 35 GLN HE22 2.950 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 581, 582, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 35 GLN HE21 35 GLN QB 5.450 (#SUP 3.03 )
&rst
ixpk= 3, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2= 573, 574,
&end
#
# 35 GLN HE21 35 GLN QG 3.880 (#SUP 3.01 )
&rst
ixpk= 3, nxpk= 0, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 576, 577,
&end
#
# 35 GLN HE22 35 GLN QB 5.190 (#SUP 3.03 )
&rst
ixpk= 3, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 573, 574,
&end
#
# 35 GLN HE22 35 GLN QG 4.080 (#SUP 3.01 )
&rst
ixpk= 3, nxpk= 0, iat= 582, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 576, 577,
&end
#
# 35 GLN HN 35 GLN QB 3.170 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 573, 574,
&end
#
# 35 GLN HN 35 GLN QG 3.830 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 576, 577,
&end
#
# 35 GLN HN 36 ILE HA 5.500 (#SUP 5.58 )
&rst
ixpk= 5, nxpk= 0, iat= 569, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 GLN HN 36 ILE HB 4.400 (#SUP 4.98 )
&rst
ixpk= 4, nxpk= 0, iat= 569, 590, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 35 GLN HN 36 ILE HN 3.790 (#SUP 6.96 )
&rst
ixpk= 6, nxpk= 0, iat= 569, 586, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 35 GLN HN 37 GLY HN 5.230 (#SUP 4.94 )
&rst
ixpk= 4, nxpk= 0, iat= 569, 605, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 35 GLN QB 36 ILE HN 3.870 (#SUP 6.53 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 573, 574,
&end
#
# 35 GLN QB 37 GLY HN 5.480 (#SUP 3.34 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 573, 574,
&end
#
# 35 GLN QG 36 ILE HN 4.900 (#SUP 5.49 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 576, 577,
&end
#
# 36 ILE HA 36 ILE HN 4.070 (#SUP 7.89 )
&rst
ixpk= 7, nxpk= 0, iat= 588, 586, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 36 ILE HA 39 GLU- HN 4.490 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 588, 636, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 36 ILE HA 40 ASN HN 4.360 (#SUP 2.00 )
&rst
ixpk= 2, nxpk= 0, iat= 588, 651, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 36 ILE HB 36 ILE HN 3.580 (#SUP 7.86 )
&rst
ixpk= 7, nxpk= 0, iat= 590, 586, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 36 ILE HB 37 GLY HN 3.570 (#SUP 5.59 )
&rst
ixpk= 5, nxpk= 0, iat= 590, 605, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 36 ILE HG12 36 ILE HN 3.670 (#SUP 6.68 )
&rst
ixpk= 6, nxpk= 0, iat= 596, 586, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 36 ILE HG13 36 ILE HN 4.850 (#SUP 6.78 )
&rst
ixpk= 6, nxpk= 0, iat= 597, 586, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 36 ILE HN 36 ILE QD1 3.920 (#SUP 6.06 )
&rst
ixpk= 6, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 599, 600, 601,
&end
#
# 36 ILE HN 36 ILE QG2 4.460 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= 586, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 592, 593, 594,
&end
#
# 36 ILE HN 37 GLY HN 3.900 (#SUP 8.53 )
&rst
ixpk= 8, nxpk= 0, iat= 586, 605, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 36 ILE HN 38 ARG+ HN 5.500 (#SUP 2.99 )
&rst
ixpk= 2, nxpk= 0, iat= 586, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 36 ILE QG2 37 GLY HN 4.070 (#SUP 5.21 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 605, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 40 ASN HN 4.690 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 651, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 592, 593, 594,
&end
#
# 36 ILE QG2 43 LEU HN 4.870 (#SUP 2.61 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 592, 593, 594,
&end
#
# 37 GLY HA2 37 GLY HN 3.400 (#SUP 3.02 )
&rst
ixpk= 3, nxpk= 0, iat= 607, 605, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 37 GLY HA2 38 ARG+ HN 4.100 (#SUP 3.45 )
&rst
ixpk= 3, nxpk= 0, iat= 607, 612, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 37 GLY HA3 37 GLY HN 3.490 (#SUP 3.02 )
&rst
ixpk= 3, nxpk= 0, iat= 608, 605, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 37 GLY HA3 38 ARG+ HN 4.080 (#SUP 3.45 )
&rst
ixpk= 3, nxpk= 0, iat= 608, 612, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 37 GLY HN 38 ARG+ HN 3.790 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 605, 612, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 37 GLY HN 39 GLU- HN 4.800 (#SUP 2.49 )
&rst
ixpk= 2, nxpk= 0, iat= 605, 636, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 37 GLY HN 44 LEU HB3 4.710 (#SUP 3.69 )
&rst
ixpk= 3, nxpk= 0, iat= 605, 720, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 37 GLY HN 44 LEU QD1 3.790 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 724, 725, 726,
&end
#
# 38 ARG+ HA 38 ARG+ HN 3.710 (#SUP 5.05 )
&rst
ixpk= 5, nxpk= 0, iat= 614, 612, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 38 ARG+ HA 39 GLU- HN 4.370 (#SUP 4.75 )
&rst
ixpk= 4, nxpk= 0, iat= 614, 636, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 38 ARG+ HG2 38 ARG+ HN 3.640 (#SUP 5.84 )
&rst
ixpk= 5, nxpk= 0, iat= 619, 612, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 38 ARG+ HG2 39 GLU- HN 5.140 (#SUP 5.54 )
&rst
ixpk= 5, nxpk= 0, iat= 619, 636, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 38 ARG+ HG3 38 ARG+ HN 3.940 (#SUP 5.14 )
&rst
ixpk= 5, nxpk= 0, iat= 620, 612, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 38 ARG+ HN 38 ARG+ QB 3.050 (#SUP 5.14 )
&rst
ixpk= 5, nxpk= 0, iat= 612, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2= 616, 617,
&end
#
# 38 ARG+ HN 39 GLU- HN 3.550 (#SUP 6.13 )
&rst
ixpk= 6, nxpk= 0, iat= 612, 636, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 38 ARG+ HN 40 ASN HN 4.770 (#SUP 1.89 )
&rst
ixpk= 1, nxpk= 0, iat= 612, 651, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 39 GLU- HA 39 GLU- HN 3.860 (#SUP 6.06 )
&rst
ixpk= 6, nxpk= 0, iat= 638, 636, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 39 GLU- HA 40 ASN HN 4.600 (#SUP 5.28 )
&rst
ixpk= 5, nxpk= 0, iat= 638, 651, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 39 GLU- HB2 39 GLU- HN 3.970 (#SUP 6.06 )
&rst
ixpk= 6, nxpk= 0, iat= 640, 636, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 39 GLU- HB2 40 ASN HN 4.560 (#SUP 5.28 )
&rst
ixpk= 5, nxpk= 0, iat= 640, 651, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 39 GLU- HB3 39 GLU- HN 3.290 (#SUP 6.06 )
&rst
ixpk= 6, nxpk= 0, iat= 641, 636, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 39 GLU- HB3 40 ASN HN 4.050 (#SUP 5.28 )
&rst
ixpk= 5, nxpk= 0, iat= 641, 651, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 39 GLU- HG2 39 GLU- HN 3.880 (#SUP 5.47 )
&rst
ixpk= 5, nxpk= 0, iat= 643, 636, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 39 GLU- HG3 39 GLU- HN 4.190 (#SUP 5.47 )
&rst
ixpk= 5, nxpk= 0, iat= 644, 636, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 39 GLU- HN 40 ASN HN 3.470 (#SUP 6.57 )
&rst
ixpk= 6, nxpk= 0, iat= 636, 651, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 39 GLU- HN 41 PRO HD2 5.500 (#SUP 1.43 )
&rst
ixpk= 1, nxpk= 0, iat= 636, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASN HA 40 ASN HD21 5.500 (#SUP 3.64 )
&rst
ixpk= 3, nxpk= 0, iat= 653, 660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASN HA 40 ASN HN 4.130 (#SUP 5.15 )
&rst
ixpk= 5, nxpk= 0, iat= 653, 651, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 ASN HB2 40 ASN HD21 4.330 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 655, 660, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 40 ASN HB2 40 ASN HD22 4.460 (#SUP 2.61 )
&rst
ixpk= 2, nxpk= 0, iat= 655, 661, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 40 ASN HB2 40 ASN HN 4.320 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 655, 651, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 40 ASN HB2 43 LEU HN 4.430 (#SUP 4.88 )
&rst
ixpk= 4, nxpk= 0, iat= 655, 696, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 40 ASN HB3 40 ASN HD21 4.130 (#SUP 3.31 )
&rst
ixpk= 3, nxpk= 0, iat= 656, 660, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 40 ASN HB3 40 ASN HD22 4.140 (#SUP 2.61 )
&rst
ixpk= 2, nxpk= 0, iat= 656, 661, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 40 ASN HB3 40 ASN HN 4.220 (#SUP 4.31 )
&rst
ixpk= 4, nxpk= 0, iat= 656, 651, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 40 ASN HB3 43 LEU HN 5.160 (#SUP 2.96 )
&rst
ixpk= 2, nxpk= 0, iat= 656, 696, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 40 ASN HD21 40 ASN HD22 2.760 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 660, 661, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26, &end
#
# 40 ASN HD21 43 LEU HB3 4.820 (#SUP 2.85 )
&rst
ixpk= 2, nxpk= 0, iat= 660, 701, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 40 ASN HD21 43 LEU QD2 5.070 (#SUP 2.86 )
&rst
ixpk= 2, nxpk= 0, iat= 660, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 709, 710, 711,
&end
#
# 40 ASN HD22 43 LEU HB3 4.680 (#SUP 3.90 )
&rst
ixpk= 3, nxpk= 0, iat= 661, 701, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 40 ASN HD22 43 LEU HN 5.500 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 661, 696, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 40 ASN HD22 43 LEU QD2 5.500 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 661, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 709, 710, 711,
&end
#
# 40 ASN HN 41 PRO HD2 4.510 (#SUP 4.12 )
&rst
ixpk= 4, nxpk= 0, iat= 651, 666, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 41 PRO HA 42 GLN HN 4.810 (#SUP 5.85 )
&rst
ixpk= 5, nxpk= 0, iat= 675, 679, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 41 PRO HB3 42 GLN HN 4.900 (#SUP 6.19 )
&rst
ixpk= 6, nxpk= 0, iat= 673, 679, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 41 PRO HD2 42 GLN HN 4.680 (#SUP 5.25 )
&rst
ixpk= 5, nxpk= 0, iat= 666, 679, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 41 PRO HD3 42 GLN HN 5.230 (#SUP 6.58 )
&rst
ixpk= 6, nxpk= 0, iat= 667, 679, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 42 GLN HA 42 GLN HN 4.050 (#SUP 5.41 )
&rst
ixpk= 5, nxpk= 0, iat= 681, 679, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 42 GLN HA 43 LEU HN 4.510 (#SUP 5.52 )
&rst
ixpk= 5, nxpk= 0, iat= 681, 696, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 42 GLN HA 45 GLN HN 4.200 (#SUP 0.87 )
&rst
ixpk= 0, nxpk= 0, iat= 681, 734, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 42 GLN HB2 42 GLN HN 3.790 (#SUP 4.98 )
&rst
ixpk= 4, nxpk= 0, iat= 683, 679, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 42 GLN HB2 43 LEU HN 4.100 (#SUP 6.45 )
&rst
ixpk= 6, nxpk= 0, iat= 683, 696, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 42 GLN HB2 44 LEU HN 4.150 (#SUP 2.57 )
&rst
ixpk= 2, nxpk= 0, iat= 683, 715, r1= 1.30, r2= 1.80, r3= 4.684, r4= 5.18, &end
#
# 42 GLN HB2 46 GLN HE21 5.500 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 683, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB2 46 GLN HE22 5.500 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 683, 764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 42 GLN HB3 42 GLN HN 3.840 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 684, 679, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 42 GLN HB3 43 LEU HN 4.180 (#SUP 5.42 )
&rst
ixpk= 5, nxpk= 0, iat= 684, 696, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 42 GLN HN 42 GLN QG 4.120 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 679, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 686, 687,
&end
#
# 42 GLN HN 43 LEU HN 3.930 (#SUP 5.52 )
&rst
ixpk= 5, nxpk= 0, iat= 679, 696, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 42 GLN QG 43 LEU HN 4.320 (#SUP 6.44 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 696, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 686, 687,
&end
#
# 42 GLN QG 44 LEU HN 5.060 (#SUP 2.64 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 715, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 686, 687,
&end
#
# 43 LEU HA 43 LEU HN 3.810 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= 698, 696, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 43 LEU HA 44 LEU HN 4.010 (#SUP 7.07 )
&rst
ixpk= 7, nxpk= 0, iat= 698, 715, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 43 LEU HA 45 GLN HN 4.970 (#SUP 5.18 )
&rst
ixpk= 5, nxpk= 0, iat= 698, 734, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 43 LEU HA 46 GLN HN 4.270 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= 698, 751, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 43 LEU HA 47 ILE HN 5.500 (#SUP 4.54 )
&rst
ixpk= 4, nxpk= 0, iat= 698, 768, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 43 LEU HB2 43 LEU HN 3.500 (#SUP 6.99 )
&rst
ixpk= 6, nxpk= 0, iat= 700, 696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 43 LEU HB2 44 LEU HN 3.850 (#SUP 6.09 )
&rst
ixpk= 6, nxpk= 0, iat= 700, 715, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 43 LEU HB3 43 LEU HN 3.390 (#SUP 6.65 )
&rst
ixpk= 6, nxpk= 0, iat= 701, 696, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 43 LEU HB3 44 LEU HN 4.290 (#SUP 5.30 )
&rst
ixpk= 5, nxpk= 0, iat= 701, 715, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 43 LEU HN 43 LEU QD1 4.480 (#SUP 6.50 )
&rst
ixpk= 6, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 705, 706, 707,
&end
#
# 43 LEU HN 43 LEU QD2 4.380 (#SUP 6.41 )
&rst
ixpk= 6, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 709, 710, 711,
&end
#
# 43 LEU HN 44 LEU HN 3.760 (#SUP 7.22 )
&rst
ixpk= 7, nxpk= 0, iat= 696, 715, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 43 LEU HN 45 GLN HN 5.030 (#SUP 3.81 )
&rst
ixpk= 3, nxpk= 0, iat= 696, 734, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53, &end
#
# 43 LEU QD1 46 GLN HN 4.290 (#SUP 5.78 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 705, 706, 707,
&end
#
# 43 LEU QD1 47 ILE HN 5.080 (#SUP 6.38 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
igr1= 705, 706, 707,
&end
#
# 44 LEU HA 44 LEU HN 3.960 (#SUP 6.27 )
&rst
ixpk= 6, nxpk= 0, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 44 LEU HA 47 ILE HN 4.130 (#SUP 4.58 )
&rst
ixpk= 4, nxpk= 0, iat= 717, 768, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 44 LEU HB2 45 GLN HN 3.320 (#SUP 8.11 )
&rst
ixpk= 8, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 44 LEU HB2 46 GLN HN 4.580 (#SUP 3.04 )
&rst
ixpk= 3, nxpk= 0, iat= 719, 751, r1= 1.30, r2= 1.80, r3= 5.450, r4= 5.95, &end
#
# 44 LEU HB3 44 LEU HN 3.760 (#SUP 6.48 )
&rst
ixpk= 6, nxpk= 0, iat= 720, 715, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 44 LEU HB3 45 GLN HN 4.190 (#SUP 7.34 )
&rst
ixpk= 7, nxpk= 0, iat= 720, 734, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 44 LEU HG 45 GLN HN 4.320 (#SUP 6.68 )
&rst
ixpk= 6, nxpk= 0, iat= 722, 734, r1= 1.30, r2= 1.80, r3= 4.533, r4= 4.82, &end
#
# 44 LEU HN 44 LEU QD2 4.200 (#SUP 6.19 )
&rst
ixpk= 6, nxpk= 0, iat= 715, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 728, 729, 730,
&end
#
# 44 LEU HN 45 GLN HN 3.750 (#SUP 8.52 )
&rst
ixpk= 8, nxpk= 0, iat= 715, 734, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 44 LEU HN 46 GLN HN 4.780 (#SUP 4.07 )
&rst
ixpk= 4, nxpk= 0, iat= 715, 751, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 44 LEU QD1 45 GLN HN 4.310 (#SUP 6.49 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 734, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 724, 725, 726,
&end
#
# 44 LEU QD2 47 ILE HN 5.020 (#SUP 4.87 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 768, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 728, 729, 730,
&end
#
# 44 LEU QD2 48 SER HN 4.540 (#SUP 3.61 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 728, 729, 730,
&end
#
# 45 GLN HA 45 GLN HN 3.640 (#SUP 6.25 )
&rst
ixpk= 6, nxpk= 0, iat= 736, 734, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 45 GLN HA 46 GLN HN 4.200 (#SUP 4.74 )
&rst
ixpk= 4, nxpk= 0, iat= 736, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 45 GLN HG2 45 GLN HN 3.910 (#SUP 5.13 )
&rst
ixpk= 5, nxpk= 0, iat= 741, 734, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 45 GLN HG3 45 GLN HN 4.140 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 742, 734, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 45 GLN HN 45 GLN QB 3.080 (#SUP 6.17 )
&rst
ixpk= 6, nxpk= 0, iat= 734, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 738, 739,
&end
#
# 45 GLN HN 46 GLN HN 3.650 (#SUP 5.97 )
&rst
ixpk= 5, nxpk= 0, iat= 734, 751, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 45 GLN HN 48 SER HN 5.500 (#SUP 1.38 )
&rst
ixpk= 1, nxpk= 0, iat= 734, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 45 GLN QB 46 GLN HN 3.670 (#SUP 4.71 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 751, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 738, 739,
&end
#
# 46 GLN HA 46 GLN HE21 5.500 (#SUP 3.93 )
&rst
ixpk= 3, nxpk= 0, iat= 753, 763, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLN HA 46 GLN HN 3.720 (#SUP 6.83 )
&rst
ixpk= 6, nxpk= 0, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 46 GLN HA 47 ILE HN 4.740 (#SUP 5.47 )
&rst
ixpk= 5, nxpk= 0, iat= 753, 768, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 46 GLN HA 49 GLN HN 5.500 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 753, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLN HB2 46 GLN HN 3.540 (#SUP 6.09 )
&rst
ixpk= 6, nxpk= 0, iat= 755, 751, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 46 GLN HB2 47 ILE HN 4.270 (#SUP 4.34 )
&rst
ixpk= 4, nxpk= 0, iat= 755, 768, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 46 GLN HB3 46 GLN HN 3.830 (#SUP 6.28 )
&rst
ixpk= 6, nxpk= 0, iat= 756, 751, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 46 GLN HB3 47 ILE HN 4.570 (#SUP 5.01 )
&rst
ixpk= 5, nxpk= 0, iat= 756, 768, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 46 GLN HB3 48 SER HN 5.230 (#SUP 2.59 )
&rst
ixpk= 2, nxpk= 0, iat= 756, 787, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.73, &end
#
# 46 GLN HE21 46 GLN HE22 2.880 (#SUP 2.31 )
&rst
ixpk= 2, nxpk= 0, iat= 763, 764, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 46 GLN HE21 46 GLN HG2 5.320 (#SUP 3.63 )
&rst
ixpk= 3, nxpk= 0, iat= 763, 758, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 46 GLN HE21 46 GLN HG3 4.640 (#SUP 3.26 )
&rst
ixpk= 3, nxpk= 0, iat= 763, 759, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 46 GLN HE22 46 GLN HG2 5.360 (#SUP 2.95 )
&rst
ixpk= 2, nxpk= 0, iat= 764, 758, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 46 GLN HE22 46 GLN HG3 5.500 (#SUP 2.59 )
&rst
ixpk= 2, nxpk= 0, iat= 764, 759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 46 GLN HG2 46 GLN HN 3.820 (#SUP 6.40 )
&rst
ixpk= 6, nxpk= 0, iat= 758, 751, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 46 GLN HG3 46 GLN HN 3.810 (#SUP 6.31 )
&rst
ixpk= 6, nxpk= 0, iat= 759, 751, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 46 GLN HN 47 ILE HB 4.630 (#SUP 5.38 )
&rst
ixpk= 5, nxpk= 0, iat= 751, 772, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 46 GLN HN 47 ILE HN 3.850 (#SUP 6.52 )
&rst
ixpk= 6, nxpk= 0, iat= 751, 768, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 46 GLN HN 47 ILE QD1 5.500 (#SUP 5.42 )
&rst
ixpk= 5, nxpk= 0, iat= 751, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 781, 782, 783,
&end
#
# 46 GLN HN 48 SER HN 5.500 (#SUP 4.48 )
&rst
ixpk= 4, nxpk= 0, iat= 751, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 47 ILE HA 47 ILE HN 4.060 (#SUP 5.86 )
&rst
ixpk= 5, nxpk= 0, iat= 770, 768, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 47 ILE HA 48 SER HN 4.720 (#SUP 5.48 )
&rst
ixpk= 5, nxpk= 0, iat= 770, 787, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 47 ILE HB 47 ILE HN 3.490 (#SUP 6.21 )
&rst
ixpk= 6, nxpk= 0, iat= 772, 768, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 47 ILE HB 48 SER HN 3.740 (#SUP 5.31 )
&rst
ixpk= 5, nxpk= 0, iat= 772, 787, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 ILE HG12 47 ILE HN 3.740 (#SUP 5.57 )
&rst
ixpk= 5, nxpk= 0, iat= 778, 768, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 47 ILE HN 47 ILE QD1 3.780 (#SUP 6.22 )
&rst
ixpk= 6, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 781, 782, 783,
&end
#
# 47 ILE HN 47 ILE QG2 4.010 (#SUP 6.74 )
&rst
ixpk= 6, nxpk= 0, iat= 768, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 774, 775, 776,
&end
#
# 47 ILE QD1 48 SER HN 5.000 (#SUP 5.69 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 781, 782, 783,
&end
#
# 47 ILE QG2 48 SER HN 4.230 (#SUP 6.71 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 774, 775, 776,
&end
#
# 47 ILE QG2 54 PHE HN 5.500 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 774, 775, 776,
&end
#
# 48 SER HA 48 SER HN 3.820 (#SUP 4.67 )
&rst
ixpk= 4, nxpk= 0, iat= 789, 787, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 48 SER HB2 48 SER HN 4.040 (#SUP 4.49 )
&rst
ixpk= 4, nxpk= 0, iat= 791, 787, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 48 SER HB2 49 GLN HN 4.230 (#SUP 4.51 )
&rst
ixpk= 4, nxpk= 0, iat= 791, 798, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 48 SER HB3 48 SER HN 3.690 (#SUP 3.85 )
&rst
ixpk= 3, nxpk= 0, iat= 792, 787, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 48 SER HB3 49 GLN HN 4.290 (#SUP 3.30 )
&rst
ixpk= 3, nxpk= 0, iat= 792, 798, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 48 SER HN 49 GLN HN 3.880 (#SUP 4.57 )
&rst
ixpk= 4, nxpk= 0, iat= 787, 798, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 49 GLN HA 49 GLN HN 3.610 (#SUP 5.38 )
&rst
ixpk= 5, nxpk= 0, iat= 800, 798, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 49 GLN HA 50 HIS HN 4.300 (#SUP 4.71 )
&rst
ixpk= 4, nxpk= 0, iat= 800, 815, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 49 GLN HB2 49 GLN HN 3.540 (#SUP 5.36 )
&rst
ixpk= 5, nxpk= 0, iat= 802, 798, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 49 GLN HB2 50 HIS HN 4.840 (#SUP 4.37 )
&rst
ixpk= 4, nxpk= 0, iat= 802, 815, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 49 GLN HB3 49 GLN HN 3.540 (#SUP 5.38 )
&rst
ixpk= 5, nxpk= 0, iat= 803, 798, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 49 GLN HB3 50 HIS HN 4.640 (#SUP 4.71 )
&rst
ixpk= 4, nxpk= 0, iat= 803, 815, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 49 GLN HE21 49 GLN HE22 2.810 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat= 810, 811, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31, &end
#
# 49 GLN HE21 49 GLN HG2 4.980 (#SUP 3.52 )
&rst
ixpk= 3, nxpk= 0, iat= 810, 805, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 49 GLN HE21 49 GLN HG3 5.050 (#SUP 3.77 )
&rst
ixpk= 3, nxpk= 0, iat= 810, 806, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 49 GLN HG2 49 GLN HN 4.050 (#SUP 5.30 )
&rst
ixpk= 5, nxpk= 0, iat= 805, 798, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 49 GLN HG3 49 GLN HN 3.890 (#SUP 5.60 )
&rst
ixpk= 5, nxpk= 0, iat= 806, 798, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 49 GLN HG3 50 HIS HN 5.240 (#SUP 4.57 )
&rst
ixpk= 4, nxpk= 0, iat= 806, 815, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 50 HIS HA 50 HIS HN 3.730 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 817, 815, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 50 HIS HA 51 GLN HN 3.750 (#SUP 5.26 )
&rst
ixpk= 5, nxpk= 0, iat= 817, 832, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 50 HIS HA 52 GLU- HN 5.480 (#SUP 1.60 )
&rst
ixpk= 1, nxpk= 0, iat= 817, 849, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98, &end
#
# 50 HIS HB2 50 HIS HN 3.990 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 819, 815, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 50 HIS HB2 51 GLN HN 4.910 (#SUP 4.22 )
&rst
ixpk= 4, nxpk= 0, iat= 819, 832, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 50 HIS HB2 53 HIS HN 4.980 (#SUP 1.10 )
&rst
ixpk= 1, nxpk= 0, iat= 819, 864, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 50 HIS HB2 54 PHE HN 4.700 (#SUP 1.25 )
&rst
ixpk= 1, nxpk= 0, iat= 819, 881, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 50 HIS HB3 50 HIS HN 3.900 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 820, 815, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 50 HIS HB3 51 GLN HN 4.720 (#SUP 4.22 )
&rst
ixpk= 4, nxpk= 0, iat= 820, 832, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 50 HIS HN 51 GLN HB2 4.810 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 815, 836, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 50 HIS HN 51 GLN HN 3.580 (#SUP 5.22 )
&rst
ixpk= 5, nxpk= 0, iat= 815, 832, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 51 GLN HA 51 GLN HE21 5.230 (#SUP 3.76 )
&rst
ixpk= 3, nxpk= 0, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 51 GLN HA 51 GLN HN 3.590 (#SUP 5.48 )
&rst
ixpk= 5, nxpk= 0, iat= 834, 832, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 51 GLN HA 54 PHE HN 4.220 (#SUP 4.68 )
&rst
ixpk= 4, nxpk= 0, iat= 834, 881, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 51 GLN HA 55 ILE HN 4.150 (#SUP 2.10 )
&rst
ixpk= 2, nxpk= 0, iat= 834, 901, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 51 GLN HB2 51 GLN HE21 5.500 (#SUP 4.44 )
&rst
ixpk= 4, nxpk= 0, iat= 836, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HB2 51 GLN HE22 5.500 (#SUP 3.41 )
&rst
ixpk= 3, nxpk= 0, iat= 836, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HB2 51 GLN HN 3.550 (#SUP 6.00 )
&rst
ixpk= 6, nxpk= 0, iat= 836, 832, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 51 GLN HB3 51 GLN HE21 5.500 (#SUP 4.11 )
&rst
ixpk= 4, nxpk= 0, iat= 837, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 51 GLN HB3 51 GLN HN 3.670 (#SUP 6.10 )
&rst
ixpk= 6, nxpk= 0, iat= 837, 832, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 51 GLN HB3 52 GLU- HN 4.290 (#SUP 5.29 )
&rst
ixpk= 5, nxpk= 0, iat= 837, 849, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 51 GLN HE21 51 GLN HE22 2.880 (#SUP 2.44 )
&rst
ixpk= 2, nxpk= 0, iat= 844, 845, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 51 GLN HE21 51 GLN QG 4.290 (#SUP 4.43 )
&rst
ixpk= 4, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 839, 840,
&end
#
# 51 GLN HE21 55 ILE QD1 5.470 (#SUP 2.07 )
&rst
ixpk= 2, nxpk= 0, iat= 844, -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
igr2= 914, 915, 916,
&end
#
# 51 GLN HE22 51 GLN QG 5.500 (#SUP 3.29 )
&rst
ixpk= 3, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 839, 840,
&end
#
# 51 GLN HE22 55 ILE QD1 5.350 (#SUP 1.94 )
&rst
ixpk= 1, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 914, 915, 916,
&end
#
# 51 GLN HN 51 GLN QG 3.750 (#SUP 6.02 )
&rst
ixpk= 6, nxpk= 0, iat= 832, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr2= 839, 840,
&end
#
# 51 GLN HN 52 GLU- HN 4.130 (#SUP 5.51 )
&rst
ixpk= 5, nxpk= 0, iat= 832, 849, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 51 GLN QG 52 GLU- HN 4.420 (#SUP 5.60 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 839, 840,
&end
#
# 52 GLU- HA 52 GLU- HN 3.780 (#SUP 5.05 )
&rst
ixpk= 5, nxpk= 0, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 52 GLU- HA 53 HIS HN 4.590 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 851, 864, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 52 GLU- HB2 52 GLU- HN 3.910 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 853, 849, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 52 GLU- HB2 53 HIS HN 4.670 (#SUP 4.70 )
&rst
ixpk= 4, nxpk= 0, iat= 853, 864, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 52 GLU- HB3 52 GLU- HN 4.050 (#SUP 4.97 )
&rst
ixpk= 4, nxpk= 0, iat= 854, 849, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 52 GLU- HB3 53 HIS HN 4.570 (#SUP 4.73 )
&rst
ixpk= 4, nxpk= 0, iat= 854, 864, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 52 GLU- HN 52 GLU- QG 3.810 (#SUP 5.05 )
&rst
ixpk= 5, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 856, 857,
&end
#
# 52 GLU- HN 53 HIS HN 4.060 (#SUP 5.96 )
&rst
ixpk= 5, nxpk= 0, iat= 849, 864, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 52 GLU- HN 54 PHE HN 5.360 (#SUP 2.44 )
&rst
ixpk= 2, nxpk= 0, iat= 849, 881, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 52 GLU- QG 53 HIS HN 4.590 (#SUP 4.80 )
&rst
ixpk= 4, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 856, 857,
&end
#
# 53 HIS HA 53 HIS HN 4.170 (#SUP 3.58 )
&rst
ixpk= 3, nxpk= 0, iat= 866, 864, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 53 HIS HA 54 PHE HN 4.850 (#SUP 3.18 )
&rst
ixpk= 3, nxpk= 0, iat= 866, 881, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 53 HIS HA 56 GLN HN 4.360 (#SUP 0.75 )
&rst
ixpk= 0, nxpk= 0, iat= 866, 920, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 53 HIS HN 53 HIS QB 3.540 (#SUP 3.58 )
&rst
ixpk= 3, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 868, 869,
&end
#
# 53 HIS HN 54 PHE HN 3.880 (#SUP 3.82 )
&rst
ixpk= 3, nxpk= 0, iat= 864, 881, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 53 HIS QB 54 PHE HN 4.000 (#SUP 3.18 )
&rst
ixpk= 3, nxpk= 0, iat= -1, 881, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 868, 869,
&end
#
# 54 PHE HA 54 PHE HN 4.080 (#SUP 3.91 )
&rst
ixpk= 3, nxpk= 0, iat= 883, 881, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 54 PHE HA 55 ILE HN 4.510 (#SUP 3.81 )
&rst
ixpk= 3, nxpk= 0, iat= 883, 901, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 54 PHE HA 57 MET HN 4.810 (#SUP 2.24 )
&rst
ixpk= 2, nxpk= 0, iat= 883, 937, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 54 PHE HB2 54 PHE HN 3.640 (#SUP 3.91 )
&rst
ixpk= 3, nxpk= 0, iat= 885, 881, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 54 PHE HB2 55 ILE HN 4.070 (#SUP 3.81 )
&rst
ixpk= 3, nxpk= 0, iat= 885, 901, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 54 PHE HB3 54 PHE HN 3.650 (#SUP 3.91 )
&rst
ixpk= 3, nxpk= 0, iat= 886, 881, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 54 PHE HB3 55 ILE HN 4.260 (#SUP 3.81 )
&rst
ixpk= 3, nxpk= 0, iat= 886, 901, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 54 PHE HN 55 ILE HB 4.820 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat= 881, 905, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 54 PHE HN 55 ILE QD1 5.500 (#SUP 3.25 )
&rst
ixpk= 3, nxpk= 0, iat= 881, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 914, 915, 916,
&end
#
# 55 ILE HA 55 ILE HN 4.040 (#SUP 6.25 )
&rst
ixpk= 6, nxpk= 0, iat= 903, 901, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 55 ILE HA 56 GLN HN 4.680 (#SUP 6.02 )
&rst
ixpk= 6, nxpk= 0, iat= 903, 920, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 55 ILE HA 58 LEU HN 4.560 (#SUP 3.82 )
&rst
ixpk= 3, nxpk= 0, iat= 903, 954, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 55 ILE HB 55 ILE HN 3.520 (#SUP 6.50 )
&rst
ixpk= 6, nxpk= 0, iat= 905, 901, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 55 ILE HB 56 GLN HN 3.710 (#SUP 5.88 )
&rst
ixpk= 5, nxpk= 0, iat= 905, 920, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 55 ILE HG12 55 ILE HN 3.810 (#SUP 6.26 )
&rst
ixpk= 6, nxpk= 0, iat= 911, 901, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 55 ILE HG12 56 GLN HN 5.330 (#SUP 6.11 )
&rst
ixpk= 6, nxpk= 0, iat= 911, 920, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83, &end
#
# 55 ILE HG13 55 ILE HN 4.000 (#SUP 5.74 )
&rst
ixpk= 5, nxpk= 0, iat= 912, 901, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 55 ILE HN 55 ILE QD1 3.890 (#SUP 5.66 )
&rst
ixpk= 5, nxpk= 0, iat= 901, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 914, 915, 916,
&end
#
# 55 ILE HN 56 GLN HN 3.800 (#SUP 5.13 )
&rst
ixpk= 5, nxpk= 0, iat= 901, 920, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 55 ILE QG2 56 GLN HN 4.080 (#SUP 5.74 )
&rst
ixpk= 5, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 907, 908, 909,
&end
#
# 55 ILE QG2 58 LEU HN 5.040 (#SUP 2.60 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 954, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 907, 908, 909,
&end
#
# 55 ILE QG2 59 ASN HD21 4.270 (#SUP 1.20 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 907, 908, 909,
&end
#
# 55 ILE QG2 59 ASN HD22 4.230 (#SUP 1.20 )
&rst
ixpk= 1, nxpk= 0, iat= -1, 983, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 907, 908, 909,
&end
#
# 55 ILE QG2 59 ASN HN 4.700 (#SUP 2.60 )
&rst
ixpk= 2, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr1= 907, 908, 909,
&end
#
# 56 GLN HA 56 GLN HN 3.700 (#SUP 6.33 )
&rst
ixpk= 6, nxpk= 0, iat= 922, 920, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 56 GLN HA 57 MET HN 4.540 (#SUP 3.75 )
&rst
ixpk= 3, nxpk= 0, iat= 922, 937, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 56 GLN HA 59 ASN HN 4.310 (#SUP 2.93 )
&rst
ixpk= 2, nxpk= 0, iat= 922, 973, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 56 GLN HG2 56 GLN HN 4.120 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 927, 920, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 56 GLN HG3 56 GLN HN 4.290 (#SUP 4.62 )
&rst
ixpk= 4, nxpk= 0, iat= 928, 920, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 56 GLN HN 56 GLN QB 3.240 (#SUP 4.61 )
&rst
ixpk= 4, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 924, 925,
&end
#
# 56 GLN HN 57 MET HN 3.840 (#SUP 3.47 )
&rst
ixpk= 3, nxpk= 0, iat= 920, 937, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 57 MET HA 57 MET HN 3.920 (#SUP 5.94 )
&rst
ixpk= 5, nxpk= 0, iat= 939, 937, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 57 MET HA 58 LEU HN 4.600 (#SUP 5.93 )
&rst
ixpk= 5, nxpk= 0, iat= 939, 954, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 57 MET HA 60 GLU- HN 4.880 (#SUP 2.13 )
&rst
ixpk= 2, nxpk= 0, iat= 939, 987, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 57 MET HB2 57 MET HN 3.370 (#SUP 5.76 )
&rst
ixpk= 5, nxpk= 0, iat= 941, 937, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 57 MET HB2 58 LEU HN 4.110 (#SUP 5.49 )
&rst
ixpk= 5, nxpk= 0, iat= 941, 954, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 57 MET HB3 57 MET HN 3.980 (#SUP 5.76 )
&rst
ixpk= 5, nxpk= 0, iat= 942, 937, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 MET HB3 58 LEU HN 4.300 (#SUP 5.49 )
&rst
ixpk= 5, nxpk= 0, iat= 942, 954, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 57 MET HG2 57 MET HN 3.800 (#SUP 4.84 )
&rst
ixpk= 4, nxpk= 0, iat= 944, 937, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 57 MET HG3 57 MET HN 4.100 (#SUP 5.69 )
&rst
ixpk= 5, nxpk= 0, iat= 945, 937, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 57 MET HG3 58 LEU HN 5.360 (#SUP 5.33 )
&rst
ixpk= 5, nxpk= 0, iat= 945, 954, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 57 MET HN 58 LEU HB2 4.630 (#SUP 5.48 )
&rst
ixpk= 5, nxpk= 0, iat= 937, 958, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 57 MET HN 58 LEU HN 3.990 (#SUP 7.50 )
&rst
ixpk= 7, nxpk= 0, iat= 937, 954, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 57 MET HN 59 ASN HN 5.390 (#SUP 3.94 )
&rst
ixpk= 3, nxpk= 0, iat= 937, 973, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 58 LEU HA 58 LEU HN 3.780 (#SUP 7.30 )
&rst
ixpk= 7, nxpk= 0, iat= 956, 954, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 58 LEU HA 59 ASN HN 4.590 (#SUP 7.27 )
&rst
ixpk= 7, nxpk= 0, iat= 956, 973, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 58 LEU HA 60 GLU- HN 5.500 (#SUP 2.17 )
&rst
ixpk= 2, nxpk= 0, iat= 956, 987, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 58 LEU HB2 58 LEU HN 3.640 (#SUP 7.86 )
&rst
ixpk= 7, nxpk= 0, iat= 958, 954, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 58 LEU HB2 59 ASN HN 4.140 (#SUP 6.88 )
&rst
ixpk= 6, nxpk= 0, iat= 958, 973, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 58 LEU HB3 58 LEU HN 3.760 (#SUP 7.14 )
&rst
ixpk= 7, nxpk= 0, iat= 959, 954, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 58 LEU HB3 59 ASN HN 4.880 (#SUP 5.81 )
&rst
ixpk= 5, nxpk= 0, iat= 959, 973, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 58 LEU HG 58 LEU HN 4.030 (#SUP 6.66 )
&rst
ixpk= 6, nxpk= 0, iat= 961, 954, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 58 LEU HN 58 LEU QD2 4.400 (#SUP 6.60 )
&rst
ixpk= 6, nxpk= 0, iat= 954, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 967, 968, 969,
&end
#
# 58 LEU HN 59 ASN HN 3.720 (#SUP 6.21 )
&rst
ixpk= 6, nxpk= 0, iat= 954, 973, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 58 LEU QD2 59 ASN HN 4.520 (#SUP 6.30 )
&rst
ixpk= 6, nxpk= 0, iat= -1, 973, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 967, 968, 969,
&end
#
# 59 ASN HA 59 ASN HN 3.890 (#SUP 5.03 )
&rst
ixpk= 5, nxpk= 0, iat= 975, 973, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 59 ASN HA 60 GLU- HN 4.260 (#SUP 4.51 )
&rst
ixpk= 4, nxpk= 0, iat= 975, 987, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 59 ASN HB2 59 ASN HD21 4.550 (#SUP 2.76 )
&rst
ixpk= 2, nxpk= 0, iat= 977, 982, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 59 ASN HB2 59 ASN HD22 4.810 (#SUP 2.91 )
&rst
ixpk= 2, nxpk= 0, iat= 977, 983, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 59 ASN HB2 59 ASN HN 3.800 (#SUP 5.73 )
&rst
ixpk= 5, nxpk= 0, iat= 977, 973, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 59 ASN HB2 60 GLU- HN 4.880 (#SUP 5.19 )
&rst
ixpk= 5, nxpk= 0, iat= 977, 987, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 59 ASN HB3 59 ASN HD22 4.350 (#SUP 2.95 )
&rst
ixpk= 2, nxpk= 0, iat= 978, 983, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 59 ASN HB3 59 ASN HN 3.520 (#SUP 5.38 )
&rst
ixpk= 5, nxpk= 0, iat= 978, 973, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 59 ASN HB3 60 GLU- HN 4.960 (#SUP 4.86 )
&rst
ixpk= 4, nxpk= 0, iat= 978, 987, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46, &end
#
# 59 ASN HD21 59 ASN HD22 2.900 (#SUP 1.93 )
&rst
ixpk= 1, nxpk= 0, iat= 982, 983, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, &end
#
# 59 ASN HN 60 GLU- HN 3.740 (#SUP 5.82 )
&rst
ixpk= 5, nxpk= 0, iat= 973, 987, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 59 ASN HN 60 GLU- QB 4.460 (#SUP 3.15 )
&rst
ixpk= 3, nxpk= 0, iat= 973, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 991, 992,
&end
#
# 60 GLU- HA 60 GLU- HN 3.710 (#SUP 6.35 )
&rst
ixpk= 6, nxpk= 0, iat= 989, 987, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 60 GLU- HG2 60 GLU- HN 4.140 (#SUP 5.64 )
&rst
ixpk= 5, nxpk= 0, iat= 994, 987, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 60 GLU- HG3 60 GLU- HN 4.430 (#SUP 4.92 )
&rst
ixpk= 4, nxpk= 0, iat= 995, 987, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 60 GLU- HN 60 GLU- QB 3.310 (#SUP 6.23 )
&rst
ixpk= 6, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2= 991, 992,
&end
#
# 60 GLU- HN 61 PRO HD2 5.500 (#SUP 4.26 )
&rst
ixpk= 4, nxpk= 0, iat= 987,1003, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 60 GLU- HN 61 PRO HD3 5.430 (#SUP 5.49 )
&rst
ixpk= 5, nxpk= 0, iat= 987,1004, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93, &end
#
# 61 PRO HA 62 VAL HN 3.130 (#SUP 3.89 )
&rst
ixpk= 3, nxpk= 0, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 61 PRO HB2 62 VAL HN 4.220 (#SUP 4.14 )
&rst
ixpk= 4, nxpk= 0, iat=1009,1016, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 61 PRO HB3 62 VAL HN 4.370 (#SUP 4.27 )
&rst
ixpk= 4, nxpk= 0, iat=1010,1016, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 62 VAL HA 62 VAL HN 3.990 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 62 VAL HA 63 GLN HN 3.570 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat=1018,1032, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 62 VAL HB 62 VAL HN 3.440 (#SUP 3.56 )
&rst
ixpk= 3, nxpk= 0, iat=1020,1016, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 62 VAL HB 63 GLN HN 4.230 (#SUP 3.65 )
&rst
ixpk= 3, nxpk= 0, iat=1020,1032, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 62 VAL HN 62 VAL QG1 3.590 (#SUP 3.62 )
&rst
ixpk= 3, nxpk= 0, iat=1016, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1022,1023,1024,
&end
#
# 62 VAL QG2 63 GLN HN 4.430 (#SUP 3.16 )
&rst
ixpk= 3, nxpk= 0, iat= -1,1032, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1026,1027,1028,
&end
#
# 63 GLN HA 63 GLN HN 4.340 (#SUP 4.38 )
&rst
ixpk= 4, nxpk= 0, iat=1034,1032, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 63 GLN HA 64 GLU- HN 3.980 (#SUP 2.33 )
&rst
ixpk= 2, nxpk= 0, iat=1034,1049, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 63 GLN HB3 63 GLN HN 4.400 (#SUP 3.02 )
&rst
ixpk= 3, nxpk= 0, iat=1037,1032, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 63 GLN HG3 63 GLN HN 4.690 (#SUP 4.39 )
&rst
ixpk= 4, nxpk= 0, iat=1040,1032, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 64 GLU- HA 64 GLU- HN 4.810 (#SUP 2.94 )
&rst
ixpk= 2, nxpk= 0, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 64 GLU- HA 65 ALA HN 4.400 (#SUP 1.50 )
&rst
ixpk= 1, nxpk= 0, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 64 GLU- HB2 64 GLU- HN 4.720 (#SUP 2.95 )
&rst
ixpk= 2, nxpk= 0, iat=1053,1049, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 64 GLU- HB3 64 GLU- HN 4.520 (#SUP 2.76 )
&rst
ixpk= 2, nxpk= 0, iat=1054,1049, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 65 ALA HN 65 ALA QB 4.900 (#SUP 1.27 )
&rst
ixpk= 1, nxpk= 0, iat=1064, -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr2=1068,1069,1070,
&end
Contact the webmaster for help, if required. Thursday, April 25, 2024 12:17:54 PM GMT (wattos1)