NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
554408 |
2rs8   |
11458 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 11 THR HA 11 THR QG2 3.48 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
igr2= 119, 120, 121,
&end
#
# 11 THR HB 12 PHE QD 4.32 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 135, 143,
&end
#
# 12 PHE HA 12 PHE QD 4.00 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 129, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 135, 143,
&end
#
# 15 ARG HA 15 ARG QD 4.12 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 188, 189,
&end
#
# 15 ARG HA 15 ARG QG 4.05 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 180, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 185, 186,
&end
#
# 16 SER HA 64 ALA QB 3.43 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1005,1006,1007,
&end
#
# 16 SER HA 85 PHE QE 4.66 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 204, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr2=1366,1370,
&end
#
# 16 SER HB2 58 LEU HN 5.12 (#SUP 0.82 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 206, 896, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 SER HB2 64 ALA QB 3.99 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 206, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1005,1006,1007,
&end
#
# 16 SER HB3 58 LEU HN 5.12 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 207, 896, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 16 SER HB3 64 ALA QB 3.99 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 207, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1005,1006,1007,
&end
#
# 16 SER HN 17 ARG HN 4.12 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 202, 213, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 16 SER QB 58 LEU HN 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 206, 207,
&end
#
# 16 SER QB 58 LEU QB 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 206, 207,
igr2= 900, 901,
&end
#
# 16 SER QB 58 LEU QD1 5.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
igr1= 206, 207,
igr2= 905, 906, 907,
&end
#
# 16 SER QB 64 ALA QB 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 206, 207,
igr2=1005,1006,1007,
&end
#
# 17 ARG HA 17 ARG QG 3.86 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 215, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2= 220, 221,
&end
#
# 17 ARG HA 18 LEU HN 3.00 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 215, 237, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 17 ARG HA 56 ILE HN 5.31 (#SUP 0.86 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 215, 853, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 17 ARG HN 17 ARG HB2 4.09 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 213, 217, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 ARG HN 17 ARG HB3 4.09 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 17 ARG QB 86 ALA HN 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr1= 217, 218,
&end
#
# 17 ARG QB 86 ALA QB 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 217, 218,
igr2=1380,1381,1382,
&end
#
# 17 ARG QG 18 LEU HN 3.91 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, 237, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1= 220, 221,
&end
#
# 18 LEU HA 18 LEU QD1 4.06 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 246, 247, 248,
&end
#
# 18 LEU HA 18 LEU QD2 3.22 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 250, 251, 252,
&end
#
# 18 LEU HA 19 PHE HN 3.10 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 239, 256, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 18 LEU HA 85 PHE HA 3.99 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 239,1358, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 18 LEU HA 86 ALA HN 3.58 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 239,1376, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 18 LEU HA 86 ALA QB 4.19 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1380,1381,1382,
&end
#
# 18 LEU HB2 18 LEU QD1 3.03 (#SUP 0.98 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 246, 247, 248,
&end
#
# 18 LEU HB2 18 LEU QD2 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 250, 251, 252,
&end
#
# 18 LEU HB2 56 ILE QG2 3.23 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 859, 860, 861,
&end
#
# 18 LEU HB2 58 LEU QD2 4.33 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 909, 910, 911,
&end
#
# 18 LEU HB3 18 LEU QD1 3.16 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 246, 247, 248,
&end
#
# 18 LEU HB3 18 LEU QD2 3.66 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 250, 251, 252,
&end
#
# 18 LEU HB3 19 PHE HN 3.91 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 242, 256, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 18 LEU HB3 56 ILE QG2 4.15 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 859, 860, 861,
&end
#
# 18 LEU HB3 83 VAL QG1 3.94 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 242, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1322,1323,1324,
&end
#
# 18 LEU HG 64 ALA HA 4.55 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 244,1003, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 18 LEU HN 18 LEU HB2 3.48 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 237, 241, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 18 LEU HN 18 LEU HB3 4.17 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 237, 242, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 LEU HN 18 LEU HG 4.13 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 237, 244, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 18 LEU HN 18 LEU QD1 4.18 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 246, 247, 248,
&end
#
# 18 LEU HN 18 LEU QD2 4.57 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 250, 251, 252,
&end
#
# 18 LEU HN 56 ILE HN 3.92 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 237, 853, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 18 LEU HN 56 ILE QG2 4.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 237, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 859, 860, 861,
&end
#
# 18 LEU QD1 36 PHE HZ 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 246, 247, 248,
&end
#
# 18 LEU QD1 36 PHE QD 4.31 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 246, 247, 248,
igr2= 540, 548,
&end
#
# 18 LEU QD1 36 PHE QE 3.33 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 246, 247, 248,
igr2= 542, 546,
&end
#
# 18 LEU QD1 56 ILE QG2 3.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 246, 247, 248,
igr2= 859, 860, 861,
&end
#
# 18 LEU QD1 64 ALA HA 3.55 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1= 246, 247, 248,
&end
#
# 18 LEU QD1 64 ALA QB 3.57 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 246, 247, 248,
igr2=1005,1006,1007,
&end
#
# 18 LEU QD1 68 LYS HA 4.34 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1= 246, 247, 248,
&end
#
# 18 LEU QD1 68 LYS HN 4.16 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 246, 247, 248,
&end
#
# 18 LEU QD2 19 PHE HN 3.83 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 256, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 58 LEU QD1 4.55 (#SUP 0.92 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr1= 250, 251, 252,
igr2= 905, 906, 907,
&end
#
# 18 LEU QD2 64 ALA HA 4.45 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 64 ALA QB 3.27 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 250, 251, 252,
igr2=1005,1006,1007,
&end
#
# 18 LEU QD2 68 LYS HA 4.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1057, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 68 LYS HB2 3.96 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1059, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 68 LYS HB3 3.96 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1060, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 68 LYS HN 4.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 68 LYS QD 4.56 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 250, 251, 252,
igr2=1065,1066,
&end
#
# 18 LEU QD2 68 LYS QG 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 250, 251, 252,
igr2=1062,1063,
&end
#
# 18 LEU QD2 83 VAL QG1 3.23 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 250, 251, 252,
igr2=1322,1323,1324,
&end
#
# 18 LEU QD2 85 PHE HA 3.32 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1358, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 85 PHE HN 4.81 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr1= 250, 251, 252,
&end
#
# 18 LEU QD2 85 PHE QD 3.87 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 250, 251, 252,
igr2=1364,1372,
&end
#
# 18 LEU QD2 85 PHE QE 4.53 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 250, 251, 252,
igr2=1366,1370,
&end
#
# 18 LEU QD2 86 ALA HN 4.48 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 250, 251, 252,
&end
#
# 19 PHE HA 55 PHE HA 3.86 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 258, 835, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 19 PHE HA 55 PHE QD 4.35 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 258, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 841, 849,
&end
#
# 19 PHE HA 56 ILE HN 4.85 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 258, 853, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35, &end
#
# 19 PHE HB2 20 VAL HN 4.43 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 260, 276, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 19 PHE HB2 55 PHE QE 4.34 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 843, 847,
&end
#
# 19 PHE HB2 84 ARG HN 4.84 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 260,1332, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 19 PHE HB2 86 ALA HA 4.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 260,1378, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 19 PHE HB2 86 ALA HN 4.25 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 260,1376, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 19 PHE HB2 86 ALA QB 3.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 260, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2=1380,1381,1382,
&end
#
# 19 PHE HB3 84 ARG HN 4.26 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 261,1332, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 19 PHE HB3 84 ARG QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1336,1337,
&end
#
# 19 PHE HB3 84 ARG QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2=1339,1340,
&end
#
# 19 PHE HB3 86 ALA QB 4.11 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 261, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1380,1381,1382,
&end
#
# 19 PHE HN 19 PHE HB2 3.73 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 256, 260, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 19 PHE HN 19 PHE HB3 3.42 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 256, 261, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 19 PHE HN 19 PHE QD 4.53 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 264, 272,
&end
#
# 19 PHE HN 84 ARG HN 4.25 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 256,1332, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 19 PHE HN 84 ARG QB 5.34
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1336,1337,
&end
#
# 19 PHE HN 85 PHE HA 4.35 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 256,1358, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 19 PHE HN 86 ALA HN 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 256,1376, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 19 PHE HN 86 ALA QB 4.00 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 256, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1380,1381,1382,
&end
#
# 19 PHE QD 20 VAL HN 4.50 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 264, 272,
&end
#
# 19 PHE QD 21 GLY HN 5.13 (#SUP 0.62 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 264, 272,
&end
#
# 19 PHE QD 55 PHE HZ 4.66 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 264, 272,
&end
#
# 19 PHE QD 55 PHE QE 4.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 264, 272,
igr2= 843, 847,
&end
#
# 19 PHE QD 84 ARG HG2 4.47 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1,1339, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 264, 272,
&end
#
# 19 PHE QD 84 ARG HG3 4.47 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1,1340, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 264, 272,
&end
#
# 19 PHE QD 84 ARG HN 4.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 264, 272,
&end
#
# 19 PHE QD 84 ARG QB 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 264, 272,
igr2=1336,1337,
&end
#
# 20 VAL HA 20 VAL QG2 3.85 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2= 286, 287, 288,
&end
#
# 20 VAL HA 83 VAL HA 3.84 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 278,1318, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 20 VAL HA 83 VAL QG2 4.11 (#SUP 0.51 #QF 0.25)
&rst
ixpk= 0, nxpk= 0, iat= 278, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2=1326,1327,1328,
&end
#
# 20 VAL HA 84 ARG HN 4.40 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 278,1332, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 20 VAL HB 23 LEU QD1 4.14 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr2= 322, 323, 324,
&end
#
# 20 VAL HB 23 LEU QD2 3.77 (#SUP 0.70 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 280, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 326, 327, 328,
&end
#
# 20 VAL HB 54 GLY HN 4.36 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 280, 826, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 20 VAL HN 20 VAL HB 3.69 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 276, 280, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 20 VAL HN 20 VAL QG1 4.65 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 282, 283, 284,
&end
#
# 20 VAL HN 20 VAL QG2 3.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 286, 287, 288,
&end
#
# 20 VAL HN 32 MET QE 4.40 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 461, 462, 463,
&end
#
# 20 VAL HN 54 GLY HN 4.01 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 276, 826, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 20 VAL HN 55 PHE HA 4.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 276, 835, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 20 VAL HN 55 PHE QD 4.82 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 276, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 841, 849,
&end
#
# 20 VAL QG1 21 GLY HN 3.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 23 LEU HG 4.32 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 320, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 23 LEU QD2 3.12 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1= 282, 283, 284,
igr2= 326, 327, 328,
&end
#
# 20 VAL QG1 36 PHE HZ 4.05 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 36 PHE QE 4.45 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 282, 283, 284,
igr2= 542, 546,
&end
#
# 20 VAL QG1 54 GLY HN 4.84 (#SUP 0.36 #QF 0.36)
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 81 LEU HA 4.64 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 81 LEU HB2 5.13 (#SUP 0.95 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 81 LEU HB3 3.94 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 81 LEU HG 5.50 (#SUP 0.95 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1,1280, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 82 ARG HN 4.37 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG1 83 VAL HA 4.64 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 282, 283, 284,
&end
#
# 20 VAL QG2 21 GLY HN 4.45 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 292, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 286, 287, 288,
&end
#
# 20 VAL QG2 32 MET QE 2.49 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr1= 286, 287, 288,
igr2= 461, 462, 463,
&end
#
# 20 VAL QG2 36 PHE HZ 3.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 286, 287, 288,
&end
#
# 20 VAL QG2 36 PHE QE 3.51 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 286, 287, 288,
igr2= 542, 546,
&end
#
# 20 VAL QG2 55 PHE HA 4.30 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 286, 287, 288,
&end
#
# 20 VAL QG2 56 ILE HB 4.02 (#SUP 0.98 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 286, 287, 288,
&end
#
# 20 VAL QG2 56 ILE HN 4.32 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 286, 287, 288,
&end
#
# 20 VAL QG2 56 ILE QG2 2.96 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr1= 286, 287, 288,
igr2= 859, 860, 861,
&end
#
# 20 VAL QG2 83 VAL HA 4.47 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 286, 287, 288,
&end
#
# 21 GLY HA2 22 ASN HN 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 294, 299, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 21 GLY HA3 22 ASN HN 3.55 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 295, 299, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 21 GLY HN 53 PHE QD 5.50 (#SUP 0.62 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 814, 822,
&end
#
# 21 GLY HN 53 PHE QE 5.12 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 816, 820,
&end
#
# 21 GLY HN 82 ARG HB2 4.39 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 292,1296, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 GLY HN 82 ARG HB3 4.39 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 292,1297, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 21 GLY HN 82 ARG HN 3.77 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 292,1292, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 21 GLY HN 82 ARG QB 3.66
&rst
ixpk= 0, nxpk= 0, iat= 292, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1296,1297,
&end
#
# 21 GLY HN 83 VAL HA 4.43 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 292,1318, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 21 GLY QA 53 PHE HA 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr1= 294, 295,
&end
#
# 21 GLY QA 53 PHE QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 294, 295,
igr2= 816, 820,
&end
#
# 21 GLY QA 54 GLY HN 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 294, 295,
&end
#
# 22 ASN HB2 81 LEU HA 3.90 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 303,1275, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 22 ASN HB2 81 LEU QD2 4.76 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 303, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1286,1287,1288,
&end
#
# 22 ASN HB2 82 ARG HN 4.07 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 303,1292, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 22 ASN HB3 22 ASN QD2 3.45
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 308, 309,
&end
#
# 22 ASN HB3 79 LYS HB2 5.50 (#SUP 0.93 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 304,1238, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB3 79 LYS HB3 4.87 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 304,1239, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37, &end
#
# 22 ASN HB3 80 GLN HN 4.70 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 304,1256, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 22 ASN HB3 81 LEU HA 3.88 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 304,1275, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 22 ASN HB3 81 LEU HG 5.50 (#SUP 0.93 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= 304,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 ASN HB3 81 LEU QD2 4.52 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 304, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1286,1287,1288,
&end
#
# 22 ASN HB3 82 ARG HN 4.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 304,1292, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 22 ASN HN 23 LEU HN 4.14 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 299, 313, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 22 ASN HN 53 PHE HA 4.89 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 299, 808, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 22 ASN QD2 79 LYS HB3 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1239, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 308, 309,
&end
#
# 22 ASN QD2 80 GLN HN 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 308, 309,
&end
#
# 22 ASN QD2 80 GLN QB 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 308, 309,
igr2=1260,1261,
&end
#
# 23 LEU HA 23 LEU HG 4.24 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 315, 320, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 23 LEU HA 23 LEU QD1 4.60 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 322, 323, 324,
&end
#
# 23 LEU HA 23 LEU QD2 2.94 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 326, 327, 328,
&end
#
# 23 LEU HA 24 PRO HD2 3.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 315, 333, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 23 LEU HA 24 PRO HD3 3.11 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 315, 334, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 23 LEU HA 24 PRO QG 4.36
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 336, 337,
&end
#
# 23 LEU HA 76 LEU QD2 4.24 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2=1197,1198,1199,
&end
#
# 23 LEU HA 81 LEU QD2 3.44 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= 315, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1286,1287,1288,
&end
#
# 23 LEU HB2 23 LEU QD1 3.54 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 322, 323, 324,
&end
#
# 23 LEU HB2 24 PRO HD2 4.72 (#SUP 0.97 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 317, 333, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 23 LEU HB2 27 ILE QG2 3.53 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 378, 379, 380,
&end
#
# 23 LEU HB2 52 GLY QA 4.34 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 317, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 801, 802,
&end
#
# 23 LEU HB2 53 PHE HN 4.59 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 317, 806, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 23 LEU HB3 23 LEU QD1 3.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 322, 323, 324,
&end
#
# 23 LEU HB3 23 LEU QD2 3.31 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr2= 326, 327, 328,
&end
#
# 23 LEU HB3 24 PRO HD2 3.70 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 318, 333, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 LEU HB3 24 PRO HD3 4.43 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 318, 334, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 23 LEU HB3 27 ILE HB 4.51 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 318, 376, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 23 LEU HB3 27 ILE QG2 3.61 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 378, 379, 380,
&end
#
# 23 LEU HB3 52 GLY QA 5.03 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 318, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr2= 801, 802,
&end
#
# 23 LEU HG 53 PHE HA 3.98 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 320, 808, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 23 LEU HG 54 GLY HN 4.78 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 320, 826, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28, &end
#
# 23 LEU HN 23 LEU HG 4.08 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 313, 320, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 23 LEU HN 23 LEU QD2 4.50 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 313, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 326, 327, 328,
&end
#
# 23 LEU QD1 27 ILE HB 5.15 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 27 ILE QG2 3.13 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 322, 323, 324,
igr2= 378, 379, 380,
&end
#
# 23 LEU QD1 32 MET QE 2.90 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 322, 323, 324,
igr2= 461, 462, 463,
&end
#
# 23 LEU QD1 47 ILE HA 4.80 (#SUP 0.99 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 709, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 52 GLY QA 4.67 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 322, 323, 324,
igr2= 801, 802,
&end
#
# 23 LEU QD1 53 PHE HA 3.79 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 808, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 53 PHE HN 4.11 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 54 GLY HA2 4.39 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 828, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 54 GLY HA3 4.39 (#SUP 0.96 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, 829, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 54 GLY HN 3.87 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 322, 323, 324,
&end
#
# 23 LEU QD1 54 GLY QA 3.76
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 322, 323, 324,
igr2= 828, 829,
&end
#
# 23 LEU QD2 24 PRO HD2 3.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 326, 327, 328,
&end
#
# 23 LEU QD2 24 PRO HD3 3.58 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 326, 327, 328,
&end
#
# 23 LEU QD2 24 PRO QG 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 326, 327, 328,
igr2= 336, 337,
&end
#
# 23 LEU QD2 27 ILE HB 3.76 (#SUP 0.96 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 376, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 326, 327, 328,
&end
#
# 23 LEU QD2 27 ILE QD1 2.71 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 326, 327, 328,
igr2= 385, 386, 387,
&end
#
# 23 LEU QD2 27 ILE QG1 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 326, 327, 328,
igr2= 382, 383,
&end
#
# 23 LEU QD2 32 MET QE 3.07 (#SUP 0.58 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 326, 327, 328,
igr2= 461, 462, 463,
&end
#
# 24 PRO HA 25 PRO HD2 3.52 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 342, 347, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 24 PRO HA 25 PRO HD3 3.52 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 342, 348, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 24 PRO HA 25 PRO QD 3.08
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 347, 348,
&end
#
# 24 PRO HA 79 LYS QE 3.47 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1247,1248,
&end
#
# 24 PRO HA 79 LYS QG 3.89
&rst
ixpk= 0, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1241,1242,
&end
#
# 24 PRO HB2 25 PRO HD2 4.14 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 339, 347, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 PRO HB2 25 PRO HD3 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 339, 348, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 PRO HB2 25 PRO QD 3.57
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 347, 348,
&end
#
# 24 PRO HB2 26 ASP HN 4.00 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 339, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 PRO HB2 27 ILE HB 4.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 339, 376, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88, &end
#
# 24 PRO HB2 27 ILE HN 4.29 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 339, 372, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 24 PRO HB2 27 ILE QG2 4.43 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2= 378, 379, 380,
&end
#
# 24 PRO HB2 76 LEU QD2 4.08 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 339, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2=1197,1198,1199,
&end
#
# 24 PRO HB3 25 PRO HD2 4.14 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 340, 347, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 PRO HB3 25 PRO HD3 4.14 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 340, 348, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 24 PRO HB3 25 PRO QD 3.54
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 347, 348,
&end
#
# 24 PRO HB3 79 LYS HG2 4.56 (#SUP 0.43 #QF 0.43)
&rst
ixpk= 0, nxpk= 0, iat= 340,1241, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 24 PRO HB3 79 LYS HG3 4.56 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 340,1242, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 24 PRO HB3 79 LYS QG 3.98
&rst
ixpk= 0, nxpk= 0, iat= 340, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1241,1242,
&end
#
# 24 PRO HD2 27 ILE HB 3.78 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 333, 376, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 24 PRO HD2 27 ILE QD1 3.61 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 385, 386, 387,
&end
#
# 24 PRO HD2 27 ILE QG2 3.55 (#SUP 0.95 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2= 378, 379, 380,
&end
#
# 24 PRO HD2 76 LEU HG 5.17 (#SUP 0.97 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 333,1191, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67, &end
#
# 24 PRO HD2 76 LEU QD2 3.78 (#SUP 0.95 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2=1197,1198,1199,
&end
#
# 24 PRO HD2 81 LEU QD2 4.10 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 333, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2=1286,1287,1288,
&end
#
# 24 PRO HD3 27 ILE QD1 4.61 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 385, 386, 387,
&end
#
# 24 PRO HD3 27 ILE QG2 4.37 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 378, 379, 380,
&end
#
# 24 PRO HD3 76 LEU HG 4.26 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 334,1191, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 24 PRO HD3 76 LEU QD2 3.27 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2=1197,1198,1199,
&end
#
# 24 PRO HD3 81 LEU QD2 3.54 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 334, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2=1286,1287,1288,
&end
#
# 24 PRO HG2 76 LEU HG 4.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 336,1191, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 24 PRO HG2 76 LEU QD2 3.66 (#SUP 0.92 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 336, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1197,1198,1199,
&end
#
# 24 PRO HG3 76 LEU HG 4.02 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 337,1191, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 24 PRO HG3 76 LEU QD2 3.66 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 337, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2=1197,1198,1199,
&end
#
# 24 PRO QG 26 ASP HN 4.81
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 336, 337,
&end
#
# 25 PRO HD2 26 ASP HN 4.62 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 347, 360, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 PRO HD2 79 LYS QE 4.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1247,1248,
&end
#
# 25 PRO HD3 26 ASP HN 4.62 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 348, 360, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 25 PRO HD3 79 LYS QE 4.21 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 348, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1247,1248,
&end
#
# 25 PRO QB 26 ASP HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 353, 354,
&end
#
# 25 PRO QD 79 LYS QE 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1= 347, 348,
igr2=1247,1248,
&end
#
# 25 PRO QG 26 ASP HN 4.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 360, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 350, 351,
&end
#
# 26 ASP HN 27 ILE HN 3.83 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 360, 372, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 26 ASP QB 27 ILE QG2 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr1= 364, 365,
igr2= 378, 379, 380,
&end
#
# 27 ILE HA 27 ILE HG12 4.11 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 374, 382, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 27 ILE HA 27 ILE HG13 4.11 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 374, 383, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 27 ILE HA 27 ILE QD1 3.06 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
igr2= 385, 386, 387,
&end
#
# 27 ILE HA 27 ILE QG1 3.37
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 382, 383,
&end
#
# 27 ILE HA 27 ILE QG2 3.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 378, 379, 380,
&end
#
# 27 ILE HA 28 THR HN 3.03 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 374, 391, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53, &end
#
# 27 ILE HA 28 THR QG2 4.36 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 397, 398, 399,
&end
#
# 27 ILE HA 31 GLU QB 4.20
&rst
ixpk= 0, nxpk= 0, iat= 374, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 439, 440,
&end
#
# 27 ILE HB 28 THR HN 4.33 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 376, 391, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 27 ILE HG12 28 THR HN 4.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 382, 391, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 27 ILE HG13 28 THR HN 4.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 27 ILE HN 27 ILE HB 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 372, 376, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 27 ILE HN 27 ILE QD1 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 385, 386, 387,
&end
#
# 27 ILE HN 27 ILE QG2 3.02 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 378, 379, 380,
&end
#
# 27 ILE HN 47 ILE QG2 4.77 (#SUP 0.42 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr2= 713, 714, 715,
&end
#
# 27 ILE QD1 28 THR HN 3.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 31 GLU HA 4.97 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 437, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 31 GLU HB2 3.20 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 439, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 31 GLU HB3 3.20 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 31 GLU HG2 4.13 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 31 GLU HG3 4.13 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 443, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 31 GLU HN 5.12 (#SUP 0.98 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 32 MET HA 3.62 (#SUP 0.56 #QF 0.56)
&rst
ixpk= 0, nxpk= 0, iat= -1, 452, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 32 MET HB2 4.04 (#SUP 0.99 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= -1, 454, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 385, 386, 387,
&end
#
# 27 ILE QD1 32 MET HN 3.92 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 385, 386, 387,
&end
#
# 27 ILE QG1 28 THR HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 382, 383,
&end
#
# 27 ILE QG1 47 ILE QD1 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1= 382, 383,
igr2= 720, 721, 722,
&end
#
# 27 ILE QG2 28 THR HN 4.16 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 391, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 378, 379, 380,
&end
#
# 27 ILE QG2 47 ILE HB 4.94 (#SUP 0.90 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 378, 379, 380,
&end
#
# 27 ILE QG2 47 ILE QD1 3.05 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 378, 379, 380,
igr2= 720, 721, 722,
&end
#
# 27 ILE QG2 47 ILE QG2 2.81 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr1= 378, 379, 380,
igr2= 713, 714, 715,
&end
#
# 28 THR HA 47 ILE QD1 3.79 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 393, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 720, 721, 722,
&end
#
# 28 THR HB 29 GLU HN 4.01 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 28 THR HB 29 GLU QB 4.25
&rst
ixpk= 0, nxpk= 0, iat= 395, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 409, 410,
&end
#
# 28 THR HB 30 GLU HN 3.54 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 395, 420, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 28 THR HN 28 THR QG2 3.51 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 397, 398, 399,
&end
#
# 28 THR HN 31 GLU HB2 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 391, 439, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 28 THR HN 31 GLU HB3 3.98 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 391, 440, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 28 THR HN 31 GLU HN 4.30 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 391, 435, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 28 THR HN 31 GLU QB 3.38
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 439, 440,
&end
#
# 28 THR HN 31 GLU QG 4.59
&rst
ixpk= 0, nxpk= 0, iat= 391, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 442, 443,
&end
#
# 28 THR HN 32 MET HN 4.56 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 391, 450, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 28 THR QG2 29 GLU HN 4.57 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 405, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 397, 398, 399,
&end
#
# 28 THR QG2 30 GLU HN 4.40 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 397, 398, 399,
&end
#
# 28 THR QG2 31 GLU HN 4.42 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 397, 398, 399,
&end
#
# 29 GLU HA 29 GLU HG2 4.10 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 GLU HA 29 GLU HG3 4.10 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 407, 413, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 29 GLU HA 29 GLU QG 3.54
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 412, 413,
&end
#
# 29 GLU HA 32 MET HB2 4.23 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 407, 454, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 29 GLU HA 32 MET HB3 4.23 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 407, 455, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 29 GLU HA 32 MET HN 3.94 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 407, 450, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 29 GLU HA 33 ARG HN 4.53 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 407, 467, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 29 GLU HA 45 VAL QQG 3.46 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 29 GLU HA 47 ILE QD1 3.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 407, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 720, 721, 722,
&end
#
# 29 GLU HB2 45 VAL QQG 4.38 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 29 GLU HB3 45 VAL QQG 4.38 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 410, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 29 GLU HG2 45 VAL QQG 3.84 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 412, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 29 GLU HG3 45 VAL QQG 3.84 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 29 GLU HN 30 GLU HN 3.80 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 29 GLU HN 47 ILE QD1 4.65 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 405, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr2= 720, 721, 722,
&end
#
# 29 GLU QB 30 GLU HN 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 420, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr1= 409, 410,
&end
#
# 29 GLU QB 45 VAL QQG 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 409, 410,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 29 GLU QB 47 ILE QD1 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 409, 410,
igr2= 720, 721, 722,
&end
#
# 29 GLU QG 47 ILE QD1 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 412, 413,
igr2= 720, 721, 722,
&end
#
# 30 GLU HA 30 GLU QG 3.45 (#SUP 0.70 #QF 0.47)
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 427, 428,
&end
#
# 30 GLU HA 33 ARG HN 3.83 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 422, 467, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 30 GLU HA 33 ARG QB 3.20
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 471, 472,
&end
#
# 30 GLU HA 33 ARG QD 4.21
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 477, 478,
&end
#
# 30 GLU HB2 31 GLU HN 3.85 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 424, 435, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 GLU HB3 31 GLU HN 3.85 (#SUP 0.99 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= 425, 435, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 30 GLU HN 30 GLU HB2 3.51 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 420, 424, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 30 GLU HN 30 GLU HB3 3.51 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 420, 425, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 30 GLU HN 30 GLU QB 3.08
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
igr2= 424, 425,
&end
#
# 30 GLU HN 30 GLU QG 4.00 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 420, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 427, 428,
&end
#
# 30 GLU HN 31 GLU HN 3.39 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 420, 435, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 30 GLU QB 31 GLU HN 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr1= 424, 425,
&end
#
# 30 GLU QG 31 GLU HN 4.26 (#SUP 0.95 #QF 0.58)
&rst
ixpk= 0, nxpk= 0, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 427, 428,
&end
#
# 31 GLU HA 31 GLU QG 3.50
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 442, 443,
&end
#
# 31 GLU HA 34 LYS HB2 3.72 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 437, 495, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 GLU HA 34 LYS HB3 3.72 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 437, 496, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 31 GLU HA 34 LYS HN 3.79 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 437, 491, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 31 GLU HA 34 LYS QB 3.17
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 495, 496,
&end
#
# 31 GLU HA 35 LEU QD1 5.33 (#SUP 0.99 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 437, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 522, 523, 524,
&end
#
# 31 GLU HB2 32 MET HN 4.23 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 439, 450, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 GLU HB3 32 MET HN 4.23 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 440, 450, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 31 GLU HN 31 GLU HB2 3.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 435, 439, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 31 GLU HN 31 GLU HB3 3.63 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 435, 440, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 31 GLU HN 31 GLU QG 3.56
&rst
ixpk= 0, nxpk= 0, iat= 435, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 442, 443,
&end
#
# 31 GLU HN 32 MET HN 3.31 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 435, 450, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 31 GLU QB 32 MET HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 439, 440,
&end
#
# 31 GLU QG 32 MET HN 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, 450, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 442, 443,
&end
#
# 32 MET HA 32 MET HG2 3.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 452, 457, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 32 MET HA 32 MET HG3 3.91 (#SUP 0.95 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 452, 458, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 32 MET HA 32 MET QE 4.27 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 461, 462, 463,
&end
#
# 32 MET HA 32 MET QG 3.43
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 457, 458,
&end
#
# 32 MET HA 35 LEU HB2 2.96 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 452, 517, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 32 MET HA 35 LEU HB3 4.01 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 452, 518, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 32 MET HA 35 LEU HG 4.64 (#SUP 0.98 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 452, 520, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 32 MET HA 35 LEU QD1 3.30 (#SUP 0.93 #QF 0.21)
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 522, 523, 524,
&end
#
# 32 MET HA 36 PHE HN 4.92 (#SUP 1.00 #QF 0.90)
&rst
ixpk= 1, nxpk= 0, iat= 452, 532, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 32 MET HA 36 PHE QD 4.35 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 452, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 540, 548,
&end
#
# 32 MET HB2 33 ARG HN 4.37 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 454, 467, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 32 MET HB2 45 VAL QQG 4.35 (#SUP 0.99 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 32 MET HB2 47 ILE QD1 3.56 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 454, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 720, 721, 722,
&end
#
# 32 MET HB3 33 ARG HN 3.46 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 455, 467, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 32 MET HB3 45 VAL QQG 3.13 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 32 MET HB3 47 ILE QD1 3.33 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 455, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 720, 721, 722,
&end
#
# 32 MET HG2 32 MET QE 4.20 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 461, 462, 463,
&end
#
# 32 MET HG2 36 PHE QD 4.65 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 540, 548,
&end
#
# 32 MET HG2 47 ILE QD1 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 720, 721, 722,
&end
#
# 32 MET HG2 56 ILE QD1 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 457, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 866, 867, 868,
&end
#
# 32 MET HG3 32 MET QE 4.20 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2= 461, 462, 463,
&end
#
# 32 MET HG3 36 PHE QD 4.65 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 540, 548,
&end
#
# 32 MET HG3 47 ILE QD1 4.17 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 720, 721, 722,
&end
#
# 32 MET HG3 56 ILE QD1 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 866, 867, 868,
&end
#
# 32 MET HN 32 MET HB2 3.67 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 450, 454, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 32 MET HN 32 MET HB3 3.62 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 32 MET HN 32 MET HG2 4.68 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 450, 457, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 32 MET HN 32 MET HG3 4.68 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 450, 458, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 32 MET HN 33 ARG HN 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 32 MET HN 35 LEU QD1 4.34 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 522, 523, 524,
&end
#
# 32 MET QE 36 PHE HZ 4.14 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 544, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 36 PHE QD 4.40 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 461, 462, 463,
igr2= 540, 548,
&end
#
# 32 MET QE 36 PHE QE 3.52 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 461, 462, 463,
igr2= 542, 546,
&end
#
# 32 MET QE 45 VAL QQG 3.56 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 461, 462, 463,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 32 MET QE 46 PHE HN 4.93 (#SUP 0.98 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 47 ILE QD1 3.64 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1= 461, 462, 463,
igr2= 720, 721, 722,
&end
#
# 32 MET QE 54 GLY HN 5.44 (#SUP 0.98 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 54 GLY QA 3.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 461, 462, 463,
igr2= 828, 829,
&end
#
# 32 MET QE 55 PHE HA 4.59 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 835, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 55 PHE HN 4.08 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 56 ILE HA 4.38 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 56 ILE HB 3.14 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 56 ILE HN 4.39 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1= 461, 462, 463,
&end
#
# 32 MET QE 56 ILE QD1 3.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 461, 462, 463,
igr2= 866, 867, 868,
&end
#
# 32 MET QE 56 ILE QG2 3.24 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1= 461, 462, 463,
igr2= 859, 860, 861,
&end
#
# 32 MET QG 32 MET QE 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 457, 458,
igr2= 461, 462, 463,
&end
#
# 32 MET QG 33 ARG HN 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 467, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 457, 458,
&end
#
# 32 MET QG 35 LEU QD1 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 457, 458,
igr2= 522, 523, 524,
&end
#
# 32 MET QG 36 PHE QD 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 457, 458,
igr2= 540, 548,
&end
#
# 32 MET QG 36 PHE QE 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 457, 458,
igr2= 542, 546,
&end
#
# 32 MET QG 45 VAL QQG 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 457, 458,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 32 MET QG 56 ILE QD1 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 457, 458,
igr2= 866, 867, 868,
&end
#
# 33 ARG HA 33 ARG QG 3.67 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 474, 475,
&end
#
# 33 ARG HA 36 PHE HB2 4.32 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 469, 536, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 33 ARG HA 36 PHE HN 4.24 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 469, 532, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 33 ARG HA 42 ALA QB 4.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 643, 644, 645,
&end
#
# 33 ARG HA 45 VAL QQG 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 33 ARG HA 56 ILE QD1 3.91 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 469, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 866, 867, 868,
&end
#
# 33 ARG HB2 34 LYS HN 4.09 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 471, 491, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 ARG HB3 34 LYS HN 4.09 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 472, 491, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 33 ARG HN 33 ARG HB2 3.48 (#SUP 0.93 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 33 ARG HN 33 ARG HB3 3.48 (#SUP 0.93 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 33 ARG HN 33 ARG QB 2.90
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
igr2= 471, 472,
&end
#
# 33 ARG HN 33 ARG QG 3.94 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 474, 475,
&end
#
# 33 ARG HN 34 LYS HN 3.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 467, 491, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 33 ARG HN 45 VAL QQG 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 467, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 33 ARG QB 33 ARG QD 3.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1= 471, 472,
igr2= 477, 478,
&end
#
# 33 ARG QB 34 LYS HN 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr1= 471, 472,
&end
#
# 33 ARG QD 45 VAL QQG 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr1= 477, 478,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 33 ARG QG 34 LYS HN 4.93 (#SUP 1.00 #QF 0.94)
&rst
ixpk= 1, nxpk= 0, iat= -1, 491, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1= 474, 475,
&end
#
# 33 ARG QG 45 VAL QQG 3.60 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1= 474, 475,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 34 LYS HA 34 LYS QD 4.17 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 501, 502,
&end
#
# 34 LYS HA 34 LYS QG 3.24
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 498, 499,
&end
#
# 34 LYS HA 36 PHE HN 5.29 (#SUP 1.00 #QF 0.90)
&rst
ixpk= 1, nxpk= 0, iat= 493, 532, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79, &end
#
# 34 LYS HA 37 GLU HB2 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 493, 556, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 34 LYS HA 37 GLU HB3 3.68 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 493, 557, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 34 LYS HA 37 GLU HN 3.71 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 493, 552, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 34 LYS HA 37 GLU QB 3.11
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2= 556, 557,
&end
#
# 34 LYS HA 37 GLU QG 4.21
&rst
ixpk= 0, nxpk= 0, iat= 493, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 559, 560,
&end
#
# 34 LYS HB2 35 LEU HN 3.92 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 495, 513, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 LYS HB3 35 LEU HN 3.92 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 496, 513, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 34 LYS HN 34 LYS HB2 3.26 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 34 LYS HN 34 LYS HB3 3.26 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 491, 496, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 34 LYS HN 34 LYS HG2 5.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 491, 498, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 34 LYS HN 34 LYS HG3 5.25 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 491, 499, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75, &end
#
# 34 LYS HN 34 LYS QB 2.69
&rst
ixpk= 1, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2= 495, 496,
&end
#
# 34 LYS HN 34 LYS QD 4.60 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 501, 502,
&end
#
# 34 LYS HN 34 LYS QG 4.54
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2= 498, 499,
&end
#
# 34 LYS HN 35 LEU HN 3.31 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 491, 513, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 35 LEU HA 35 LEU HG 3.98 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 515, 520, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 35 LEU HA 35 LEU QD2 3.02 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 526, 527, 528,
&end
#
# 35 LEU HA 74 MET QE 4.78 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 515, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2=1164,1165,1166,
&end
#
# 35 LEU HB2 36 PHE HN 3.71 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 517, 532, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 35 LEU HB2 36 PHE QD 3.80 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 517, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 540, 548,
&end
#
# 35 LEU HB3 36 PHE HN 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 518, 532, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 35 LEU HB3 36 PHE QD 3.97 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 540, 548,
&end
#
# 35 LEU HB3 71 LEU QD1 4.56 (#SUP 0.71 #QF 0.71)
&rst
ixpk= 0, nxpk= 0, iat= 518, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2=1117,1118,1119,
&end
#
# 35 LEU HN 35 LEU HB2 3.04 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 513, 517, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 35 LEU HN 35 LEU HB3 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 513, 518, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 35 LEU HN 35 LEU HG 3.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 513, 520, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92, &end
#
# 35 LEU HN 35 LEU QD1 4.08 (#SUP 1.00 #QF 0.97)
&rst
ixpk= 1, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr2= 522, 523, 524,
&end
#
# 35 LEU HN 35 LEU QD2 4.30 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 513, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 526, 527, 528,
&end
#
# 35 LEU HN 36 PHE HN 3.27 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 513, 532, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 35 LEU QD1 36 PHE HN 4.98 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 522, 523, 524,
&end
#
# 35 LEU QD1 36 PHE QD 4.73 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 522, 523, 524,
igr2= 540, 548,
&end
#
# 35 LEU QD1 36 PHE QE 4.39 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 522, 523, 524,
igr2= 542, 546,
&end
#
# 35 LEU QD1 74 MET QE 3.55 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 522, 523, 524,
igr2=1164,1165,1166,
&end
#
# 35 LEU QD2 36 PHE HN 5.44 (#SUP 0.96 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1, 532, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
igr1= 526, 527, 528,
&end
#
# 35 LEU QD2 36 PHE QD 4.73 (#SUP 0.68 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 526, 527, 528,
igr2= 540, 548,
&end
#
# 35 LEU QD2 36 PHE QE 4.63 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1= 526, 527, 528,
igr2= 542, 546,
&end
#
# 35 LEU QD2 71 LEU QD1 4.62 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
igr1= 526, 527, 528,
igr2=1117,1118,1119,
&end
#
# 35 LEU QD2 74 MET QE 2.69 (#SUP 0.64 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 526, 527, 528,
igr2=1164,1165,1166,
&end
#
# 36 PHE HA 36 PHE QD 4.01 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 540, 548,
&end
#
# 36 PHE HA 39 TYR QD 3.29 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 597, 606,
&end
#
# 36 PHE HA 39 TYR QE 4.04 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 599, 604,
&end
#
# 36 PHE HA 71 LEU QD1 4.37 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 534, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1117,1118,1119,
&end
#
# 36 PHE HB2 37 GLU HN 4.24 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 536, 552, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 36 PHE HB2 39 TYR QD 4.50 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 597, 606,
&end
#
# 36 PHE HB2 42 ALA QB 4.45 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2= 643, 644, 645,
&end
#
# 36 PHE HB2 56 ILE QD1 3.57 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 866, 867, 868,
&end
#
# 36 PHE HB2 58 LEU QD2 4.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 536, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 909, 910, 911,
&end
#
# 36 PHE HB3 37 GLU HN 4.65 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 537, 552, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 36 PHE HB3 39 TYR QD 4.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 597, 606,
&end
#
# 36 PHE HB3 42 ALA QB 4.74 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr2= 643, 644, 645,
&end
#
# 36 PHE HB3 56 ILE QD1 3.84 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 866, 867, 868,
&end
#
# 36 PHE HB3 58 LEU QD2 3.63 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 537, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 909, 910, 911,
&end
#
# 36 PHE HN 36 PHE HB2 3.15 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 532, 536, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 36 PHE HN 36 PHE HB3 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 532, 537, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 36 PHE HN 36 PHE QD 3.17 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
igr2= 540, 548,
&end
#
# 36 PHE HN 37 GLU HN 3.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 532, 552, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 36 PHE HN 56 ILE QD1 4.71 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 532, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr2= 866, 867, 868,
&end
#
# 36 PHE HZ 56 ILE QG2 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 859, 860, 861,
&end
#
# 36 PHE HZ 71 LEU QD1 4.19 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1117,1118,1119,
&end
#
# 36 PHE HZ 71 LEU QD2 5.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2=1121,1122,1123,
&end
#
# 36 PHE HZ 83 VAL QG1 4.19 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr2=1322,1323,1324,
&end
#
# 36 PHE HZ 83 VAL QG2 3.90 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 544, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1326,1327,1328,
&end
#
# 36 PHE QD 39 TYR QB 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 540, 548,
igr2= 593, 594,
&end
#
# 36 PHE QD 39 TYR QD 3.80 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 540, 548,
igr2= 597, 606,
&end
#
# 36 PHE QD 39 TYR QE 4.66 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 540, 548,
igr2= 599, 604,
&end
#
# 36 PHE QD 56 ILE QD1 3.61 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1= 540, 548,
igr2= 866, 867, 868,
&end
#
# 36 PHE QD 56 ILE QG2 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 540, 548,
igr2= 859, 860, 861,
&end
#
# 36 PHE QD 58 LEU QD1 3.42 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 540, 548,
igr2= 905, 906, 907,
&end
#
# 36 PHE QD 58 LEU QD2 3.58 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 540, 548,
igr2= 909, 910, 911,
&end
#
# 36 PHE QD 67 ALA QB 3.47 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 540, 548,
igr2=1049,1050,1051,
&end
#
# 36 PHE QD 71 LEU QD1 4.17 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 540, 548,
igr2=1117,1118,1119,
&end
#
# 36 PHE QE 56 ILE QD1 4.50 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 542, 546,
igr2= 866, 867, 868,
&end
#
# 36 PHE QE 56 ILE QG2 3.87 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 542, 546,
igr2= 859, 860, 861,
&end
#
# 36 PHE QE 58 LEU QD1 3.79 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 542, 546,
igr2= 905, 906, 907,
&end
#
# 36 PHE QE 58 LEU QD2 4.20 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
igr1= 542, 546,
igr2= 909, 910, 911,
&end
#
# 36 PHE QE 67 ALA QB 3.33 (#SUP 0.70 #QF 0.70)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 542, 546,
igr2=1049,1050,1051,
&end
#
# 36 PHE QE 71 LEU QD1 3.75 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 542, 546,
igr2=1117,1118,1119,
&end
#
# 36 PHE QE 71 LEU QD2 3.72 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 542, 546,
igr2=1121,1122,1123,
&end
#
# 36 PHE QE 83 VAL QG1 4.78 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1= 542, 546,
igr2=1322,1323,1324,
&end
#
# 36 PHE QE 83 VAL QG2 4.39 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1= 542, 546,
igr2=1326,1327,1328,
&end
#
# 37 GLU HA 37 GLU HG2 4.14 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 554, 559, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 37 GLU HA 37 GLU HG3 4.14 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 554, 560, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 37 GLU HA 37 GLU QG 3.60
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 559, 560,
&end
#
# 37 GLU HA 39 TYR HN 4.10 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 554, 589, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 37 GLU HA 40 GLY HN 4.04 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 554, 610, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 37 GLU HN 37 GLU HB2 3.66 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 37 GLU HN 37 GLU HB3 3.66 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 37 GLU HN 37 GLU HG2 4.28 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 37 GLU HN 37 GLU HG3 4.28 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 552, 560, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 37 GLU HN 37 GLU QB 2.93
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 556, 557,
&end
#
# 37 GLU HN 37 GLU QG 3.46
&rst
ixpk= 0, nxpk= 0, iat= 552, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2= 559, 560,
&end
#
# 37 GLU HN 38 LYS HN 3.45 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 37 GLU QB 40 GLY HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 556, 557,
&end
#
# 37 GLU QG 38 LYS HN 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 559, 560,
&end
#
# 37 GLU QG 40 GLY HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 559, 560,
&end
#
# 38 LYS HA 40 GLY HN 4.18 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 569, 610, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 38 LYS HB2 39 TYR HN 4.32 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 571, 589, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 38 LYS HB3 39 TYR HN 4.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 572, 589, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 38 LYS HN 38 LYS HB2 3.29 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 567, 571, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 38 LYS HN 38 LYS HB3 3.29 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 567, 572, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 38 LYS HN 38 LYS QG 4.61
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 574, 575,
&end
#
# 38 LYS HN 39 TYR HN 3.30 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 567, 589, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 38 LYS HN 40 GLY HN 4.68 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 567, 610, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 38 LYS QB 39 TYR HN 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 589, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 571, 572,
&end
#
# 38 LYS QB 39 TYR QD 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 571, 572,
igr2= 597, 606,
&end
#
# 38 LYS QB 39 TYR QE 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 571, 572,
igr2= 599, 604,
&end
#
# 38 LYS QB 40 GLY HN 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 571, 572,
&end
#
# 38 LYS QD 39 TYR QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 577, 578,
igr2= 599, 604,
&end
#
# 38 LYS QE 39 TYR QE 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 580, 581,
igr2= 599, 604,
&end
#
# 39 TYR HA 39 TYR QD 3.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
igr2= 597, 606,
&end
#
# 39 TYR HA 63 LEU QD2 3.46 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 591, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 995, 996, 997,
&end
#
# 39 TYR HB2 40 GLY HN 4.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 593, 610, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 TYR HB2 58 LEU QD1 3.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 905, 906, 907,
&end
#
# 39 TYR HB2 63 LEU HB3 4.43 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= 593, 987, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 TYR HB2 63 LEU QD2 4.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 995, 996, 997,
&end
#
# 39 TYR HB2 67 ALA QB 4.47 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 593, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1049,1050,1051,
&end
#
# 39 TYR HB3 40 GLY HN 4.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 594, 610, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 39 TYR HB3 58 LEU QD1 3.72 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 905, 906, 907,
&end
#
# 39 TYR HB3 63 LEU HB3 4.43 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 594, 987, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 39 TYR HB3 63 LEU QD2 4.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2= 995, 996, 997,
&end
#
# 39 TYR HB3 67 ALA QB 4.47 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 594, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1049,1050,1051,
&end
#
# 39 TYR HN 39 TYR HB2 3.72 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 589, 593, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 39 TYR HN 39 TYR HB3 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 589, 594, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 39 TYR HN 39 TYR QB 3.12
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
igr2= 593, 594,
&end
#
# 39 TYR HN 39 TYR QD 3.24 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 597, 606,
&end
#
# 39 TYR HN 39 TYR QE 4.56 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 599, 604,
&end
#
# 39 TYR HN 40 GLY HN 3.18 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 589, 610, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 39 TYR HN 63 LEU QD2 5.01 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 995, 996, 997,
&end
#
# 39 TYR HN 67 ALA QB 5.26 (#SUP 1.00 #QF 0.31)
&rst
ixpk= 1, nxpk= 0, iat= 589, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2=1049,1050,1051,
&end
#
# 39 TYR QB 40 GLY HN 4.02
&rst
ixpk= 1, nxpk= 0, iat= -1, 610, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 593, 594,
&end
#
# 39 TYR QB 58 LEU QD2 3.83
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 593, 594,
igr2= 909, 910, 911,
&end
#
# 39 TYR QB 63 LEU HB3 3.83
&rst
ixpk= 1, nxpk= 0, iat= -1, 987, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 593, 594,
&end
#
# 39 TYR QB 63 LEU QD1 4.44
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 593, 594,
igr2= 991, 992, 993,
&end
#
# 39 TYR QB 63 LEU QD2 3.50
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 593, 594,
igr2= 995, 996, 997,
&end
#
# 39 TYR QB 67 ALA QB 3.87
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 593, 594,
igr2=1049,1050,1051,
&end
#
# 39 TYR QD 58 LEU QD1 4.09 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 597, 606,
igr2= 905, 906, 907,
&end
#
# 39 TYR QD 58 LEU QD2 4.27 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 597, 606,
igr2= 909, 910, 911,
&end
#
# 39 TYR QD 63 LEU QD2 3.62 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 597, 606,
igr2= 995, 996, 997,
&end
#
# 39 TYR QD 66 ILE HB 4.45 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 597, 606,
&end
#
# 39 TYR QD 66 ILE QD1 4.56 (#SUP 0.69 #QF 0.69)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr1= 597, 606,
igr2=1039,1040,1041,
&end
#
# 39 TYR QD 66 ILE QG2 3.58 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 597, 606,
igr2=1032,1033,1034,
&end
#
# 39 TYR QD 67 ALA QB 3.81 (#SUP 0.30 #QF 0.30)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 597, 606,
igr2=1049,1050,1051,
&end
#
# 39 TYR QD 71 LEU QD1 4.37 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 597, 606,
igr2=1117,1118,1119,
&end
#
# 39 TYR QE 66 ILE HB 4.58 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1030, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 599, 604,
&end
#
# 39 TYR QE 66 ILE QD1 5.00 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 599, 604,
igr2=1039,1040,1041,
&end
#
# 39 TYR QE 66 ILE QG2 3.06 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1= 599, 604,
igr2=1032,1033,1034,
&end
#
# 39 TYR QE 67 ALA HA 4.13 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 599, 604,
&end
#
# 39 TYR QE 67 ALA QB 3.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 599, 604,
igr2=1049,1050,1051,
&end
#
# 39 TYR QE 70 GLU QB 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1= 599, 604,
igr2=1097,1098,
&end
#
# 39 TYR QE 71 LEU HG 4.33 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 599, 604,
&end
#
# 39 TYR QE 71 LEU QD1 3.46 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 599, 604,
igr2=1117,1118,1119,
&end
#
# 39 TYR QE 71 LEU QD2 3.66 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 599, 604,
igr2=1121,1122,1123,
&end
#
# 40 GLY HA2 41 LYS HN 3.31 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 40 GLY HA3 41 LYS HN 3.31 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 613, 617, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 40 GLY HN 41 LYS HN 4.60 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 610, 617, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 40 GLY QA 41 LYS HN 2.86
&rst
ixpk= 1, nxpk= 0, iat= -1, 617, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,
igr1= 612, 613,
&end
#
# 40 GLY QA 63 LEU QD1 4.02
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 612, 613,
igr2= 991, 992, 993,
&end
#
# 41 LYS HA 42 ALA HN 2.80 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 619, 639, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 41 LYS HA 42 ALA QB 3.99 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 619, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 643, 644, 645,
&end
#
# 41 LYS HN 41 LYS HG2 4.47 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 617, 624, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 41 LYS HN 41 LYS HG3 4.47 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 617, 625, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 41 LYS HN 41 LYS QB 3.33 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 621, 622,
&end
#
# 41 LYS HN 41 LYS QD 4.60 (#SUP 0.54 #QF 0.54)
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 627, 628,
&end
#
# 41 LYS HN 41 LYS QG 3.79
&rst
ixpk= 0, nxpk= 0, iat= 617, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 624, 625,
&end
#
# 41 LYS QB 42 ALA HN 3.69 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 621, 622,
&end
#
# 41 LYS QG 42 ALA HN 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 624, 625,
&end
#
# 42 ALA HA 43 GLY HN 3.10 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 641, 649, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60, &end
#
# 42 ALA HA 58 LEU QD2 3.76 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 641, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 909, 910, 911,
&end
#
# 42 ALA HN 42 ALA QB 3.15 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 643, 644, 645,
&end
#
# 42 ALA QB 43 GLY HN 3.68 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 649, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 643, 644, 645,
&end
#
# 42 ALA QB 45 VAL HB 4.61 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= -1, 675, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 643, 644, 645,
&end
#
# 42 ALA QB 45 VAL QQG 3.19 (#SUP 0.67 #QF 0.67)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 643, 644, 645,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 42 ALA QB 56 ILE QD1 3.18 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 643, 644, 645,
igr2= 866, 867, 868,
&end
#
# 42 ALA QB 56 ILE QG1 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 643, 644, 645,
igr2= 863, 864,
&end
#
# 42 ALA QB 56 ILE QG2 4.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 643, 644, 645,
igr2= 859, 860, 861,
&end
#
# 42 ALA QB 57 ARG HN 4.28 (#SUP 0.96 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 643, 644, 645,
&end
#
# 42 ALA QB 58 LEU HA 4.51 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 898, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 643, 644, 645,
&end
#
# 42 ALA QB 58 LEU QD2 3.50 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 643, 644, 645,
igr2= 909, 910, 911,
&end
#
# 43 GLY HN 44 GLU HN 4.02 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 649, 656, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 43 GLY HN 57 ARG HE 4.86 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= 649, 885, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 43 GLY HN 57 ARG HN 4.63 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 649, 872, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 43 GLY HN 57 ARG QH1 5.42 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr2= 888, 889,
&end
#
# 43 GLY HN 58 LEU HA 4.28 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= 649, 898, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 43 GLY HN 58 LEU QD2 4.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 649, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 909, 910, 911,
&end
#
# 44 GLU HA 44 GLU HG2 4.16 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 658, 663, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 GLU HA 44 GLU HG3 4.16 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 658, 664, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 44 GLU HA 44 GLU QG 3.63
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2= 663, 664,
&end
#
# 44 GLU HA 45 VAL HN 3.09 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 658, 671, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 44 GLU HA 45 VAL QQG 3.98 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 658, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 44 GLU HG2 45 VAL HN 4.60 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 663, 671, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 44 GLU HG3 45 VAL HN 4.60 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 664, 671, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 44 GLU HN 44 GLU QB 3.13 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2= 660, 661,
&end
#
# 44 GLU HN 45 VAL QQG 5.27 (#SUP 0.98 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 44 GLU HN 57 ARG HN 3.78 (#SUP 0.99 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 656, 872, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 44 GLU HN 57 ARG QB 4.61
&rst
ixpk= 0, nxpk= 0, iat= 656, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 876, 877,
&end
#
# 44 GLU QB 45 VAL HN 4.25 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 660, 661,
&end
#
# 44 GLU QB 56 ILE HA 4.82 (#SUP 0.78 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 660, 661,
&end
#
# 44 GLU QB 57 ARG HA 5.30 (#SUP 0.78 #QF 0.42)
&rst
ixpk= 0, nxpk= 0, iat= -1, 874, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 660, 661,
&end
#
# 44 GLU QB 57 ARG HN 3.96 (#SUP 0.87 #QF 0.68)
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 660, 661,
&end
#
# 44 GLU QB 57 ARG QD 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 660, 661,
igr2= 882, 883,
&end
#
# 44 GLU QG 45 VAL HN 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 671, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 663, 664,
&end
#
# 45 VAL HA 46 PHE HN 3.14 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 673, 687, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 45 VAL HA 56 ILE HA 3.82 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 673, 855, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 45 VAL HA 57 ARG HN 4.81 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 673, 872, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 45 VAL HB 46 PHE HN 4.66 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 675, 687, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 45 VAL HN 45 VAL HB 3.66 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat= 671, 675, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 45 VAL HN 45 VAL QQG 3.28 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 671, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 46 PHE HN 3.43 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 687, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 47 ILE HB 5.40 (#SUP 0.90 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1, 711, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 47 ILE HG12 4.14 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, 717, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 47 ILE HG13 4.14 (#SUP 0.32 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= -1, 718, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 47 ILE QD1 3.43 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 677, 678, 679, 681, 682, 683,
igr2= 720, 721, 722,
&end
#
# 45 VAL QQG 47 ILE QG1 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 677, 678, 679, 681, 682, 683,
igr2= 717, 718,
&end
#
# 45 VAL QQG 55 PHE HN 4.86 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 56 ILE HA 3.72 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 855, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 56 ILE HB 4.24 (#SUP 0.98 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, 857, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 45 VAL QQG 56 ILE QD1 2.93 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 677, 678, 679, 681, 682, 683,
igr2= 866, 867, 868,
&end
#
# 45 VAL QQG 56 ILE QG2 4.43 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
igr1= 677, 678, 679, 681, 682, 683,
igr2= 859, 860, 861,
&end
#
# 45 VAL QQG 57 ARG HN 4.52 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 677, 678, 679, 681, 682, 683,
&end
#
# 46 PHE HA 46 PHE QD 4.47 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 689, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 695, 703,
&end
#
# 46 PHE HA 47 ILE HN 3.33 (#SUP 0.83 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat= 689, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 46 PHE HN 46 PHE HB2 4.14 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 687, 691, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 46 PHE HN 46 PHE HB3 4.14 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 687, 692, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64, &end
#
# 46 PHE HN 46 PHE QB 3.60
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 691, 692,
&end
#
# 46 PHE HN 47 ILE HA 5.04 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 687, 709, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54, &end
#
# 46 PHE HN 55 PHE HN 3.94 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 687, 833, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 46 PHE HN 56 ILE HA 4.40 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 687, 855, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 46 PHE QB 55 PHE HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, 833, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 691, 692,
&end
#
# 47 ILE HA 47 ILE HG12 4.03 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 709, 717, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ILE HA 47 ILE HG13 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 709, 718, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 47 ILE HA 47 ILE QD1 3.89 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 720, 721, 722,
&end
#
# 47 ILE HA 47 ILE QG2 3.37 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 709, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 713, 714, 715,
&end
#
# 47 ILE HA 54 GLY HA2 3.80 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 709, 828, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 ILE HA 54 GLY HA3 3.80 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= 709, 829, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 47 ILE HA 55 PHE HN 4.80 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 709, 833, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 47 ILE HN 47 ILE HB 3.75 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 707, 711, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 47 ILE HN 47 ILE QG1 4.02
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 717, 718,
&end
#
# 47 ILE HN 47 ILE QG2 4.55 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 707, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 713, 714, 715,
&end
#
# 47 ILE QG1 54 GLY QA 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 717, 718,
igr2= 828, 829,
&end
#
# 47 ILE QG2 48 HIS HN 4.41 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= -1, 726, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 713, 714, 715,
&end
#
# 47 ILE QG2 49 LYS HA 4.23 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= -1, 745, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 713, 714, 715,
&end
#
# 47 ILE QG2 49 LYS QB 4.19 (#SUP 0.49 #QF 0.49)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 713, 714, 715,
igr2= 747, 748,
&end
#
# 47 ILE QG2 54 GLY QA 3.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 713, 714, 715,
igr2= 828, 829,
&end
#
# 48 HIS HE1 50 ASP QB 3.62 (#SUP 0.29 #QF 0.29)
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 769, 770,
&end
#
# 48 HIS HE1 51 LYS HG2 4.41 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= 735, 784, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 48 HIS HE1 51 LYS HG3 4.41 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= 735, 785, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 48 HIS HE1 51 LYS QG 3.72
&rst
ixpk= 0, nxpk= 0, iat= 735, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 784, 785,
&end
#
# 51 LYS HG2 51 LYS QE 4.08 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 784, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 790, 791,
&end
#
# 51 LYS HG3 51 LYS QE 4.08 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 785, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 790, 791,
&end
#
# 52 GLY HN 53 PHE HN 4.35 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat= 799, 806, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 52 GLY QA 53 PHE HN 3.49 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 806, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 801, 802,
&end
#
# 53 PHE HA 53 PHE QD 4.69 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 808, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 814, 822,
&end
#
# 53 PHE HA 54 GLY HN 3.41 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 808, 826, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 53 PHE HB2 54 GLY HN 4.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 810, 826, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 53 PHE HB3 54 GLY HN 4.05 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 811, 826, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 53 PHE HN 53 PHE QD 4.18 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 806, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 814, 822,
&end
#
# 53 PHE HN 54 GLY HN 4.70 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 806, 826, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 53 PHE QB 54 GLY HN 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 810, 811,
&end
#
# 53 PHE QD 54 GLY HN 4.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, 826, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 814, 822,
&end
#
# 55 PHE HA 55 PHE QD 3.92 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 841, 849,
&end
#
# 55 PHE HA 56 ILE HN 3.06 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 835, 853, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56, &end
#
# 55 PHE HA 56 ILE QG2 4.58 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 835, -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr2= 859, 860, 861,
&end
#
# 55 PHE HB2 56 ILE HN 4.28 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 837, 853, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 55 PHE HB3 56 ILE HN 4.28 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 838, 853, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 55 PHE HN 55 PHE QB 3.70
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 837, 838,
&end
#
# 55 PHE HN 55 PHE QD 4.40 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 833, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 841, 849,
&end
#
# 55 PHE QB 56 ILE HN 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 837, 838,
&end
#
# 55 PHE QD 56 ILE HN 4.70 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, 853, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1= 841, 849,
&end
#
# 55 PHE QD 86 ALA QB 3.55 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr1= 841, 849,
igr2=1380,1381,1382,
&end
#
# 55 PHE QE 86 ALA QB 3.93 (#SUP 0.87 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 843, 847,
igr2=1380,1381,1382,
&end
#
# 56 ILE HA 56 ILE HG12 4.16 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 855, 863, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 56 ILE HA 56 ILE HG13 4.16 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 855, 864, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 56 ILE HA 56 ILE QD1 3.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 866, 867, 868,
&end
#
# 56 ILE HA 56 ILE QG1 3.44
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 863, 864,
&end
#
# 56 ILE HA 56 ILE QG2 3.83 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 855, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 859, 860, 861,
&end
#
# 56 ILE HA 57 ARG HN 3.29 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 855, 872, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 56 ILE HB 57 ARG HN 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 857, 872, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 56 ILE HG12 57 ARG HN 4.12 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 863, 872, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 56 ILE HG13 57 ARG HN 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 864, 872, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 56 ILE HN 56 ILE QG2 3.35 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 853, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 859, 860, 861,
&end
#
# 56 ILE HN 57 ARG HA 5.50 (#SUP 0.86 #QF 0.46)
&rst
ixpk= 0, nxpk= 0, iat= 853, 874, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 56 ILE HN 57 ARG HN 5.36 (#SUP 0.98 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 853, 872, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86, &end
#
# 56 ILE QD1 57 ARG HN 4.36 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 866, 867, 868,
&end
#
# 56 ILE QD1 58 LEU QD2 3.58 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 866, 867, 868,
igr2= 909, 910, 911,
&end
#
# 56 ILE QG1 57 ARG HN 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 863, 864,
&end
#
# 56 ILE QG2 56 ILE QD1 3.08 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 859, 860, 861,
igr2= 866, 867, 868,
&end
#
# 56 ILE QG2 57 ARG HN 4.29 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1, 872, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 859, 860, 861,
&end
#
# 56 ILE QG2 58 LEU HG 4.26 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 859, 860, 861,
&end
#
# 56 ILE QG2 58 LEU QD1 3.98 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 859, 860, 861,
igr2= 905, 906, 907,
&end
#
# 56 ILE QG2 58 LEU QD2 3.60 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 859, 860, 861,
igr2= 909, 910, 911,
&end
#
# 57 ARG HA 57 ARG QG 3.53 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 874, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 879, 880,
&end
#
# 57 ARG HA 58 LEU HN 3.05 (#SUP 0.81 #QF 0.81)
&rst
ixpk= 0, nxpk= 0, iat= 874, 896, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55, &end
#
# 57 ARG HN 57 ARG HB2 3.98 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 872, 876, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 ARG HN 57 ARG HB3 3.98 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 872, 877, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 57 ARG HN 57 ARG QB 3.49
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 876, 877,
&end
#
# 57 ARG HN 57 ARG QG 4.40 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 872, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 879, 880,
&end
#
# 57 ARG QD 58 LEU HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 882, 883,
&end
#
# 57 ARG QG 58 LEU HN 4.25 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 896, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 879, 880,
&end
#
# 58 LEU HA 58 LEU HG 3.92 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 898, 903, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 58 LEU HA 58 LEU QD1 3.99 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 905, 906, 907,
&end
#
# 58 LEU HA 58 LEU QD2 3.05 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= 898, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 909, 910, 911,
&end
#
# 58 LEU HA 59 GLU HN 3.45 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 898, 915, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 58 LEU HB2 59 GLU HN 4.03 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 900, 915, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 58 LEU HB3 59 GLU HN 4.03 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 901, 915, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 58 LEU HN 58 LEU HG 4.08 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 58 LEU HN 58 LEU QB 3.64
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr2= 900, 901,
&end
#
# 58 LEU HN 58 LEU QD1 4.17 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 905, 906, 907,
&end
#
# 58 LEU HN 58 LEU QD2 4.35 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 909, 910, 911,
&end
#
# 58 LEU HN 64 ALA QB 4.43 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 896, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1005,1006,1007,
&end
#
# 58 LEU QB 59 GLU HN 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr1= 900, 901,
&end
#
# 58 LEU QB 60 THR HN 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 900, 901,
&end
#
# 58 LEU QB 64 ALA HA 5.09
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1= 900, 901,
&end
#
# 58 LEU QB 64 ALA HN 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 900, 901,
&end
#
# 58 LEU QB 64 ALA QB 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 900, 901,
igr2=1005,1006,1007,
&end
#
# 58 LEU QD1 59 GLU HN 4.53 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 905, 906, 907,
&end
#
# 58 LEU QD1 64 ALA HA 3.01 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr1= 905, 906, 907,
&end
#
# 58 LEU QD1 64 ALA HN 4.28 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1= 905, 906, 907,
&end
#
# 58 LEU QD1 64 ALA QB 3.45 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr1= 905, 906, 907,
igr2=1005,1006,1007,
&end
#
# 58 LEU QD1 71 LEU QD1 5.05 (#SUP 0.92 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr1= 905, 906, 907,
igr2=1117,1118,1119,
&end
#
# 58 LEU QD2 59 GLU HN 4.01 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1= 909, 910, 911,
&end
#
# 58 LEU QD2 64 ALA HA 4.45 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= -1,1003, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 909, 910, 911,
&end
#
# 59 GLU HN 59 GLU QB 3.25 (#SUP 0.72 #QF 0.72)
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 919, 920,
&end
#
# 59 GLU HN 59 GLU QG 4.34
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 922, 923,
&end
#
# 59 GLU HN 60 THR HN 4.11 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 915, 930, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 59 GLU HN 63 LEU QD1 4.37 (#SUP 0.52 #QF 0.52)
&rst
ixpk= 0, nxpk= 0, iat= 915, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 991, 992, 993,
&end
#
# 59 GLU QB 60 THR HN 4.15 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, 930, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 919, 920,
&end
#
# 59 GLU QB 60 THR QG2 3.40 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 919, 920,
igr2= 936, 937, 938,
&end
#
# 59 GLU QB 63 LEU QD1 3.65 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 919, 920,
igr2= 991, 992, 993,
&end
#
# 59 GLU QG 60 THR QG2 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 922, 923,
igr2= 936, 937, 938,
&end
#
# 60 THR HA 60 THR QG2 3.36 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat= 932, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 936, 937, 938,
&end
#
# 60 THR HB 62 THR HN 4.22 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= 934, 968, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 60 THR HG1 62 THR HN 4.69 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= 940, 968, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 60 THR HG1 63 LEU HN 4.70 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= 940, 982, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 60 THR HN 60 THR QG2 3.83 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 936, 937, 938,
&end
#
# 60 THR HN 63 LEU HB2 4.17 (#SUP 0.45 #QF 0.45)
&rst
ixpk= 0, nxpk= 0, iat= 930, 986, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 60 THR HN 63 LEU QD1 3.88 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= 930, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 991, 992, 993,
&end
#
# 60 THR QG2 63 LEU HN 4.73 (#SUP 0.48 #QF 0.48)
&rst
ixpk= 0, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 936, 937, 938,
&end
#
# 61 ARG HA 64 ALA QB 3.03 (#SUP 0.61 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= 946, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2=1005,1006,1007,
&end
#
# 61 ARG QG 62 THR HA 5.50 (#SUP 0.94 #QF 0.64)
&rst
ixpk= 0, nxpk= 0, iat= -1, 970, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 951, 952,
&end
#
# 61 ARG QG 62 THR HN 4.35 (#SUP 0.39 #QF 0.39)
&rst
ixpk= 0, nxpk= 0, iat= -1, 968, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 951, 952,
&end
#
# 62 THR HA 62 THR QG2 3.38 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 974, 975, 976,
&end
#
# 62 THR HA 65 GLU HB2 3.87 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 970,1015, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 62 THR HA 65 GLU HB3 4.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 970,1016, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 62 THR HA 65 GLU HN 3.83 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 970,1011, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 62 THR HA 65 GLU QG 4.45
&rst
ixpk= 0, nxpk= 0, iat= 970, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr2=1018,1019,
&end
#
# 62 THR HB 63 LEU HG 4.49 (#SUP 0.67 #QF 0.20)
&rst
ixpk= 0, nxpk= 0, iat= 972, 989, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 62 THR HB 63 LEU HN 3.51 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 972, 982, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 62 THR HN 62 THR HB 3.37 (#SUP 0.60 #QF 0.60)
&rst
ixpk= 0, nxpk= 0, iat= 968, 972, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 62 THR HN 62 THR QG2 4.32 (#SUP 0.53 #QF 0.53)
&rst
ixpk= 0, nxpk= 0, iat= 968, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 974, 975, 976,
&end
#
# 62 THR HN 63 LEU HN 3.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 968, 982, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 62 THR QG2 63 LEU HA 4.08 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1, 984, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 974, 975, 976,
&end
#
# 62 THR QG2 63 LEU HN 4.03 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1, 982, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 974, 975, 976,
&end
#
# 62 THR QG2 65 GLU HB2 4.62 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr1= 974, 975, 976,
&end
#
# 62 THR QG2 66 ILE HG13 3.90 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1,1037, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1= 974, 975, 976,
&end
#
# 62 THR QG2 66 ILE HN 4.73 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 974, 975, 976,
&end
#
# 62 THR QG2 66 ILE QD1 3.41 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 974, 975, 976,
igr2=1039,1040,1041,
&end
#
# 63 LEU HA 63 LEU HG 4.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= 984, 989, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 63 LEU HA 63 LEU QD1 4.35 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 991, 992, 993,
&end
#
# 63 LEU HA 63 LEU QD2 2.87 (#SUP 0.79 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 995, 996, 997,
&end
#
# 63 LEU HA 66 ILE HB 3.82 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 984,1030, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 63 LEU HA 66 ILE HN 4.02 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 984,1026, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 63 LEU HA 66 ILE QD1 3.53 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1039,1040,1041,
&end
#
# 63 LEU HA 66 ILE QG2 4.43 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat= 984, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr2=1032,1033,1034,
&end
#
# 63 LEU HA 67 ALA HN 4.41 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 984,1045, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 63 LEU HB2 63 LEU QD1 3.57 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 986, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 991, 992, 993,
&end
#
# 63 LEU HB2 64 ALA HN 3.61 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= 986,1001, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 63 LEU HB3 63 LEU QD1 3.72 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 991, 992, 993,
&end
#
# 63 LEU HB3 63 LEU QD2 3.70 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= 987, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 995, 996, 997,
&end
#
# 63 LEU HB3 64 ALA HN 4.59 (#SUP 0.95 #QF 0.32)
&rst
ixpk= 0, nxpk= 0, iat= 987,1001, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 63 LEU HN 63 LEU HB2 3.38 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 982, 986, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 63 LEU HN 63 LEU HB3 4.17 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 63 LEU HN 63 LEU HG 3.30 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 982, 989, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 63 LEU HN 63 LEU QD1 4.00 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2= 991, 992, 993,
&end
#
# 63 LEU HN 63 LEU QD2 3.93 (#SUP 0.77 #QF 0.77)
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 995, 996, 997,
&end
#
# 63 LEU HN 64 ALA HN 3.35 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= 982,1001, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 63 LEU HN 64 ALA QB 4.57 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat= 982, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1005,1006,1007,
&end
#
# 63 LEU HN 65 GLU HN 4.69 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= 982,1011, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 64 ALA HA 67 ALA HN 4.05 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1003,1045, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 64 ALA HA 67 ALA QB 3.32 (#SUP 0.40 #QF 0.40)
&rst
ixpk= 0, nxpk= 0, iat=1003, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1049,1050,1051,
&end
#
# 64 ALA HN 64 ALA QB 2.99 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2=1005,1006,1007,
&end
#
# 64 ALA HN 65 GLU HN 3.44 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1001,1011, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 64 ALA QB 65 GLU HN 3.52 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat= -1,1011, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1=1005,1006,1007,
&end
#
# 64 ALA QB 85 PHE HZ 3.76 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1368, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1005,1006,1007,
&end
#
# 64 ALA QB 85 PHE QD 4.34 (#SUP 0.78 #QF 0.78)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1=1005,1006,1007,
igr2=1364,1372,
&end
#
# 64 ALA QB 85 PHE QE 3.52 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1005,1006,1007,
igr2=1366,1370,
&end
#
# 65 GLU HA 65 GLU HG2 4.08 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1013,1018, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 GLU HA 65 GLU HG3 4.08 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1013,1019, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 65 GLU HA 65 GLU QG 3.51
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1018,1019,
&end
#
# 65 GLU HA 68 LYS HB2 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1013,1059, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 65 GLU HA 68 LYS HB3 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1013,1060, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 65 GLU HA 68 LYS HN 3.96 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1013,1055, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 65 GLU HA 68 LYS QB 3.41
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1059,1060,
&end
#
# 65 GLU HA 69 VAL HN 4.35 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1013,1077, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 65 GLU HA 69 VAL QG2 4.41 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2=1087,1088,1089,
&end
#
# 65 GLU HA 85 PHE HZ 3.79 (#SUP 0.74 #QF 0.74)
&rst
ixpk= 0, nxpk= 0, iat=1013,1368, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 65 GLU HA 85 PHE QE 4.24 (#SUP 0.76 #QF 0.76)
&rst
ixpk= 0, nxpk= 0, iat=1013, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2=1366,1370,
&end
#
# 65 GLU HB2 66 ILE HN 3.50 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1015,1026, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 65 GLU HB3 66 ILE HN 3.75 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1016,1026, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 65 GLU HB3 85 PHE HZ 4.88 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1016,1368, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 65 GLU HG2 85 PHE HZ 4.23 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1018,1368, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 65 GLU HG3 85 PHE HZ 4.23 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1019,1368, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 65 GLU HN 65 GLU HB2 3.32 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1011,1015, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 65 GLU HN 65 GLU HB3 3.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1011,1016, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 65 GLU HN 65 GLU HG2 3.81 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1011,1018, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 65 GLU HN 65 GLU HG3 3.81 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1011,1019, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 65 GLU HN 65 GLU QG 3.25
&rst
ixpk= 0, nxpk= 0, iat=1011, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1018,1019,
&end
#
# 65 GLU HN 66 ILE HG13 4.67 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1011,1037, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 65 GLU HN 66 ILE HN 3.34 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1011,1026, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 65 GLU HN 85 PHE HZ 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1011,1368, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 65 GLU QG 66 ILE HN 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1026, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1018,1019,
&end
#
# 65 GLU QG 85 PHE QE 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1=1018,1019,
igr2=1366,1370,
&end
#
# 66 ILE HA 66 ILE HG12 3.54 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1028,1036, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 66 ILE HA 66 ILE HG13 4.06 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1028,1037, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 66 ILE HA 66 ILE QD1 3.91 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2=1039,1040,1041,
&end
#
# 66 ILE HA 66 ILE QG2 3.11 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1028, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2=1032,1033,1034,
&end
#
# 66 ILE HA 68 LYS HN 4.71 (#SUP 0.84 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1028,1055, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 66 ILE HA 69 VAL HB 3.66 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat=1028,1081, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 66 ILE HA 69 VAL HN 4.11 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1028,1077, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 66 ILE HA 70 GLU HN 4.52 (#SUP 1.00 #QF 0.22)
&rst
ixpk= 1, nxpk= 0, iat=1028,1093, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 66 ILE HB 67 ALA HN 3.21 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1030,1045, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 66 ILE HB 67 ALA QB 4.20 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1030, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1049,1050,1051,
&end
#
# 66 ILE HN 66 ILE HB 3.31 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 66 ILE HN 66 ILE HG12 3.66 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1026,1036, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16, &end
#
# 66 ILE HN 66 ILE HG13 2.86 (#SUP 0.99 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1026,1037, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 66 ILE HN 66 ILE QD1 3.89 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1039,1040,1041,
&end
#
# 66 ILE HN 66 ILE QG2 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1032,1033,1034,
&end
#
# 66 ILE HN 67 ALA HN 3.15 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1026,1045, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 66 ILE HN 67 ALA QB 4.62 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1026, -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
igr2=1049,1050,1051,
&end
#
# 66 ILE QD1 67 ALA HN 4.59 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1039,1040,1041,
&end
#
# 66 ILE QG2 67 ALA HA 4.08 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1047, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1032,1033,1034,
&end
#
# 66 ILE QG2 67 ALA HN 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1045, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1=1032,1033,1034,
&end
#
# 66 ILE QG2 68 LYS HN 5.36 (#SUP 1.00 #QF 0.75)
&rst
ixpk= 1, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
igr1=1032,1033,1034,
&end
#
# 66 ILE QG2 70 GLU HG2 3.97 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1100, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1032,1033,1034,
&end
#
# 66 ILE QG2 70 GLU HG3 3.97 (#SUP 0.59 #QF 0.59)
&rst
ixpk= 0, nxpk= 0, iat= -1,1101, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1032,1033,1034,
&end
#
# 66 ILE QG2 70 GLU HN 4.39 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr1=1032,1033,1034,
&end
#
# 66 ILE QG2 70 GLU QG 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1=1032,1033,1034,
igr2=1100,1101,
&end
#
# 67 ALA HA 69 VAL HN 4.81 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1047,1077, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 67 ALA HA 70 GLU HB2 4.22 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1047,1097, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 67 ALA HA 70 GLU HB3 4.22 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1047,1098, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 67 ALA HA 70 GLU HN 4.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1047,1093, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 67 ALA HA 71 LEU HG 4.44 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1047,1115, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 67 ALA HA 71 LEU HN 4.63 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1047,1108, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 67 ALA HA 71 LEU QD1 4.70 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1047, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1117,1118,1119,
&end
#
# 67 ALA HN 67 ALA QB 2.94 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1045, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2=1049,1050,1051,
&end
#
# 67 ALA QB 68 LYS HN 3.35 (#SUP 0.57 #QF 0.57)
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr1=1049,1050,1051,
&end
#
# 67 ALA QB 71 LEU HG 3.75 (#SUP 0.63 #QF 0.63)
&rst
ixpk= 0, nxpk= 0, iat= -1,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr1=1049,1050,1051,
&end
#
# 67 ALA QB 71 LEU QD1 3.22 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1049,1050,1051,
igr2=1117,1118,1119,
&end
#
# 68 LYS HA 68 LYS HG2 4.07 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1057,1062, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 LYS HA 68 LYS HG3 4.07 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1057,1063, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 68 LYS HA 68 LYS QG 3.57
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1062,1063,
&end
#
# 68 LYS HA 71 LEU HN 4.62 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat=1057,1108, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 68 LYS HA 83 VAL HB 4.01 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1057,1320, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 68 LYS HA 83 VAL QG1 3.18 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1322,1323,1324,
&end
#
# 68 LYS HA 83 VAL QG2 4.13 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1057, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2=1326,1327,1328,
&end
#
# 68 LYS HG2 68 LYS QE 4.11 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1062, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1068,1069,
&end
#
# 68 LYS HG3 68 LYS QE 4.11 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1063, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2=1068,1069,
&end
#
# 68 LYS HN 68 LYS HB2 3.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1055,1059, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 68 LYS HN 68 LYS HB3 3.17 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1055,1060, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 68 LYS HN 68 LYS QG 4.30
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2=1062,1063,
&end
#
# 68 LYS HN 69 VAL HB 5.20 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1055,1081, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70, &end
#
# 68 LYS HN 69 VAL HN 3.36 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1055,1077, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 68 LYS HN 83 VAL QG1 4.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1055, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1322,1323,1324,
&end
#
# 68 LYS QB 69 VAL HN 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr1=1059,1060,
&end
#
# 68 LYS QB 83 VAL QG1 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1059,1060,
igr2=1322,1323,1324,
&end
#
# 68 LYS QD 69 VAL HA 4.13 (#SUP 0.50 #QF 0.50)
&rst
ixpk= 0, nxpk= 0, iat= -1,1079, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1065,1066,
&end
#
# 68 LYS QD 69 VAL HN 4.55 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat= -1,1077, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1065,1066,
&end
#
# 68 LYS QD 85 PHE HN 5.50 (#SUP 0.71 #QF 0.27)
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1065,1066,
&end
#
# 68 LYS QG 83 VAL HB 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1062,1063,
&end
#
# 68 LYS QG 83 VAL QG1 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1062,1063,
igr2=1322,1323,1324,
&end
#
# 69 VAL HA 69 VAL QG1 3.08 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2=1083,1084,1085,
&end
#
# 69 VAL HA 69 VAL QG2 2.86 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr2=1087,1088,1089,
&end
#
# 69 VAL HA 72 ASP QB 4.56
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1131,1132,
&end
#
# 69 VAL HB 70 GLU HN 3.70 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1081,1093, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 69 VAL HN 69 VAL HB 3.04 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1077,1081, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 69 VAL HN 69 VAL QG1 3.86 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1083,1084,1085,
&end
#
# 69 VAL HN 69 VAL QG2 3.07 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1087,1088,1089,
&end
#
# 69 VAL HN 70 GLU HN 3.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1077,1093, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 69 VAL QG1 70 GLU HA 3.86 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1095, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1083,1084,1085,
&end
#
# 69 VAL QG1 70 GLU HN 3.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1083,1084,1085,
&end
#
# 69 VAL QG1 70 GLU QG 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1083,1084,1085,
igr2=1100,1101,
&end
#
# 69 VAL QG2 70 GLU HN 4.13 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1093, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1087,1088,1089,
&end
#
# 70 GLU HA 70 GLU HG2 3.81 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1095,1100, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 70 GLU HA 70 GLU HG3 3.81 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1095,1101, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 70 GLU HA 70 GLU QG 3.33
&rst
ixpk= 0, nxpk= 0, iat=1095, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2=1100,1101,
&end
#
# 70 GLU HB2 71 LEU HN 4.23 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1097,1108, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 GLU HB3 71 LEU HN 4.23 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1098,1108, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 70 GLU HN 70 GLU HB2 3.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1093,1097, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 70 GLU HN 70 GLU HB3 3.74 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1093,1098, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 70 GLU HN 70 GLU HG2 3.97 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1093,1100, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 70 GLU HN 70 GLU HG3 3.97 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1093,1101, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 70 GLU HN 70 GLU QB 3.13
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
igr2=1097,1098,
&end
#
# 70 GLU HN 70 GLU QG 3.26
&rst
ixpk= 0, nxpk= 0, iat=1093, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1100,1101,
&end
#
# 70 GLU HN 71 LEU HN 3.31 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1093,1108, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 70 GLU QB 71 LEU HA 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1,1110, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1=1097,1098,
&end
#
# 70 GLU QB 71 LEU HN 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1,1108, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr1=1097,1098,
&end
#
# 70 GLU QB 71 LEU QD2 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1097,1098,
igr2=1121,1122,1123,
&end
#
# 71 LEU HA 71 LEU HG 4.00 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 71 LEU HA 71 LEU QD1 4.40 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1117,1118,1119,
&end
#
# 71 LEU HA 71 LEU QD2 2.85 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1121,1122,1123,
&end
#
# 71 LEU HA 74 MET HB2 3.89 (#SUP 0.93 #QF 0.79)
&rst
ixpk= 0, nxpk= 0, iat=1110,1157, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 71 LEU HA 74 MET HB3 3.89 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1110,1158, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 71 LEU HA 74 MET QB 3.38
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1157,1158,
&end
#
# 71 LEU HA 74 MET QE 4.34 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1164,1165,1166,
&end
#
# 71 LEU HA 74 MET QG 4.32
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1160,1161,
&end
#
# 71 LEU HA 83 VAL QG2 4.34 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1326,1327,1328,
&end
#
# 71 LEU HB2 71 LEU QD1 3.67 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1117,1118,1119,
&end
#
# 71 LEU HB2 71 LEU QD2 3.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1121,1122,1123,
&end
#
# 71 LEU HB2 83 VAL QG2 3.29 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1326,1327,1328,
&end
#
# 71 LEU HB3 71 LEU QD1 3.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1117,1118,1119,
&end
#
# 71 LEU HB3 71 LEU QD2 3.95 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1121,1122,1123,
&end
#
# 71 LEU HB3 83 VAL QG2 3.29 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2=1326,1327,1328,
&end
#
# 71 LEU HN 71 LEU HB2 3.79 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 71 LEU HN 71 LEU HB3 3.79 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 71 LEU HN 71 LEU HG 3.61 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 71 LEU HN 71 LEU QB 3.15
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2=1112,1113,
&end
#
# 71 LEU HN 71 LEU QD1 4.29 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1117,1118,1119,
&end
#
# 71 LEU HN 71 LEU QD2 3.93 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2=1121,1122,1123,
&end
#
# 71 LEU HN 72 ASP HN 3.35 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1108,1127, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 71 LEU HN 83 VAL QG1 5.22 (#SUP 0.99 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr2=1322,1323,1324,
&end
#
# 71 LEU HN 83 VAL QG2 5.46 (#SUP 0.99 #QF 0.44)
&rst
ixpk= 0, nxpk= 0, iat=1108, -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
igr2=1326,1327,1328,
&end
#
# 71 LEU QB 71 LEU QD1 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1112,1113,
igr2=1117,1118,1119,
&end
#
# 71 LEU QB 71 LEU QD2 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1=1112,1113,
igr2=1121,1122,1123,
&end
#
# 71 LEU QB 83 VAL HB 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1112,1113,
&end
#
# 71 LEU QB 83 VAL QG2 2.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr1=1112,1113,
igr2=1326,1327,1328,
&end
#
# 71 LEU QD1 74 MET QE 4.38 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr1=1117,1118,1119,
igr2=1164,1165,1166,
&end
#
# 71 LEU QD1 83 VAL QG1 4.18 (#SUP 1.00 #QF 0.82)
&rst
ixpk= 1, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1=1117,1118,1119,
igr2=1322,1323,1324,
&end
#
# 71 LEU QD1 83 VAL QG2 3.82 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1117,1118,1119,
igr2=1326,1327,1328,
&end
#
# 71 LEU QD2 74 MET HB2 4.40 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1157, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1121,1122,1123,
&end
#
# 71 LEU QD2 74 MET HB3 4.40 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat= -1,1158, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr1=1121,1122,1123,
&end
#
# 71 LEU QD2 74 MET QB 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1121,1122,1123,
igr2=1157,1158,
&end
#
# 71 LEU QD2 74 MET QE 3.20 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1121,1122,1123,
igr2=1164,1165,1166,
&end
#
# 72 ASP HA 73 ASN HN 2.94 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1129,1139, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44, &end
#
# 72 ASP HA 74 MET HN 4.05 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1129,1153, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 72 ASP HA 82 ARG HA 4.68 (#SUP 0.62 #QF 0.62)
&rst
ixpk= 0, nxpk= 0, iat=1129,1294, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 72 ASP HA 83 VAL HB 3.63 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1129,1320, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 72 ASP HA 83 VAL HN 3.60 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1129,1316, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 72 ASP HA 83 VAL QG2 3.23 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1129, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1326,1327,1328,
&end
#
# 72 ASP HB2 83 VAL HB 4.11 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1131,1320, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 72 ASP HB2 83 VAL QG1 5.27 (#SUP 1.00 #QF 0.62)
&rst
ixpk= 1, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1322,1323,1324,
&end
#
# 72 ASP HB2 83 VAL QG2 4.70 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1131, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1326,1327,1328,
&end
#
# 72 ASP HB3 83 VAL HB 4.11 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1132,1320, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 72 ASP HB3 83 VAL QG1 5.27 (#SUP 1.00 #QF 0.74)
&rst
ixpk= 1, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
igr2=1322,1323,1324,
&end
#
# 72 ASP HB3 83 VAL QG2 4.70 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1132, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2=1326,1327,1328,
&end
#
# 72 ASP HN 72 ASP HB2 3.53 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1127,1131, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 72 ASP HN 72 ASP HB3 3.53 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1127,1132, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03, &end
#
# 72 ASP HN 83 VAL HB 4.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1127,1320, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 72 ASP HN 83 VAL QG2 4.28 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1127, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1326,1327,1328,
&end
#
# 72 ASP QB 73 ASN HN 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1139, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1=1131,1132,
&end
#
# 72 ASP QB 83 VAL HB 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1,1320, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1=1131,1132,
&end
#
# 72 ASP QB 83 VAL HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1131,1132,
&end
#
# 72 ASP QB 83 VAL QG1 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1=1131,1132,
igr2=1322,1323,1324,
&end
#
# 72 ASP QB 83 VAL QG2 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1=1131,1132,
igr2=1326,1327,1328,
&end
#
# 73 ASN HA 74 MET HN 3.55 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1141,1153, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 73 ASN HN 73 ASN QB 3.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1143,1144,
&end
#
# 73 ASN HN 74 MET HN 3.49 (#SUP 0.98 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1139,1153, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 73 ASN HN 82 ARG HA 3.99 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1139,1294, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 73 ASN HN 83 VAL HN 4.23 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1139,1316, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 73 ASN HN 83 VAL QG2 4.04 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1326,1327,1328,
&end
#
# 73 ASN QB 73 ASN HD21 3.92 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat= -1,1148, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1143,1144,
&end
#
# 73 ASN QB 73 ASN HD22 3.92 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat= -1,1149, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1143,1144,
&end
#
# 73 ASN QB 73 ASN QD2 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1143,1144,
igr2=1148,1149,
&end
#
# 73 ASN QB 74 MET HN 4.38 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat= -1,1153, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1=1143,1144,
&end
#
# 74 MET HA 74 MET HG2 3.90 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1155,1160, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 74 MET HA 74 MET HG3 3.90 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1155,1161, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 74 MET HA 74 MET QE 4.73 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1164,1165,1166,
&end
#
# 74 MET HA 74 MET QG 3.40
&rst
ixpk= 0, nxpk= 0, iat=1155, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1160,1161,
&end
#
# 74 MET HA 75 PRO HD2 3.24 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1155,1171, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 74 MET HA 75 PRO HD3 3.09 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1155,1172, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 74 MET HA 75 PRO HG2 4.42 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1155,1174, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 74 MET HA 75 PRO HG3 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1155,1175, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 74 MET HA 81 LEU HB2 5.05 (#SUP 0.94 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=1155,1277, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55, &end
#
# 74 MET HB2 81 LEU QD1 4.30 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1157, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1282,1283,1284,
&end
#
# 74 MET HB3 81 LEU QD1 4.30 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1282,1283,1284,
&end
#
# 74 MET HG2 75 PRO HD2 3.83 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1160,1171, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 74 MET HG2 75 PRO HD3 4.32 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1160,1172, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 MET HG2 81 LEU QD1 4.76 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1160, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1282,1283,1284,
&end
#
# 74 MET HG3 75 PRO HD2 3.83 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1161,1171, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 74 MET HG3 75 PRO HD3 4.32 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1161,1172, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 74 MET HG3 81 LEU QD1 4.76 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1161, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1282,1283,1284,
&end
#
# 74 MET HN 74 MET HB2 3.19 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1153,1157, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 74 MET HN 74 MET HB3 3.19 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1153,1158, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 74 MET HN 74 MET QG 4.70
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1160,1161,
&end
#
# 74 MET HN 75 PRO HD3 4.97 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1153,1172, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 74 MET HN 81 LEU HB2 3.71 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1153,1277, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 74 MET HN 81 LEU HB3 4.29 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1153,1278, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 74 MET HN 81 LEU HN 4.36 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1153,1273, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 74 MET HN 81 LEU QD1 4.28 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1153, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1282,1283,1284,
&end
#
# 74 MET QB 81 LEU QD1 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1=1157,1158,
igr2=1282,1283,1284,
&end
#
# 74 MET QE 75 PRO HD2 4.74 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat= -1,1171, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1=1164,1165,1166,
&end
#
# 74 MET QE 76 LEU HA 4.90 (#SUP 0.97 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat= -1,1186, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
igr1=1164,1165,1166,
&end
#
# 74 MET QE 76 LEU HB2 3.55 (#SUP 0.55 #QF 0.55)
&rst
ixpk= 0, nxpk= 0, iat= -1,1188, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1164,1165,1166,
&end
#
# 74 MET QE 76 LEU QD1 3.24 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1164,1165,1166,
igr2=1193,1194,1195,
&end
#
# 74 MET QE 81 LEU QD1 2.72 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1=1164,1165,1166,
igr2=1282,1283,1284,
&end
#
# 74 MET QG 81 LEU QD1 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1160,1161,
igr2=1282,1283,1284,
&end
#
# 75 PRO HA 76 LEU HN 2.88 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1180,1184, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38, &end
#
# 75 PRO HA 80 GLN HA 3.19 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1180,1258, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69, &end
#
# 75 PRO HA 81 LEU HN 4.46 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1180,1273, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 75 PRO HB2 76 LEU HN 4.33 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1177,1184, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 75 PRO HB3 76 LEU HN 4.33 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1178,1184, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 75 PRO QB 76 LEU HN 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1184, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1177,1178,
&end
#
# 76 LEU HA 76 LEU HG 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1186,1191, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 76 LEU HA 76 LEU QD1 2.89 (#SUP 0.66 #QF 0.66)
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1193,1194,1195,
&end
#
# 76 LEU HA 76 LEU QD2 4.34 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1186, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1197,1198,1199,
&end
#
# 76 LEU HA 77 ARG HA 4.62 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1186,1205, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 76 LEU HA 77 ARG HN 2.95 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1186,1203, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 76 LEU HB2 77 ARG HN 4.64 (#SUP 0.85 #QF 0.85)
&rst
ixpk= 0, nxpk= 0, iat=1188,1203, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 76 LEU HB2 81 LEU QD1 3.32 (#SUP 0.95 #QF 0.84)
&rst
ixpk= 0, nxpk= 0, iat=1188, -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
igr2=1282,1283,1284,
&end
#
# 76 LEU HB3 76 LEU QD2 3.22 (#SUP 0.94 #QF 0.83)
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1197,1198,1199,
&end
#
# 76 LEU HB3 81 LEU HG 4.18 (#SUP 0.97 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1189,1280, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 76 LEU HB3 81 LEU QD2 3.47 (#SUP 0.34 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1189, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr2=1286,1287,1288,
&end
#
# 76 LEU HG 77 ARG HN 4.43 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1191,1203, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 76 LEU HN 76 LEU HB2 3.98 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 76 LEU HN 76 LEU HB3 3.69 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1184,1189, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 76 LEU HN 77 ARG HN 4.37 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1184,1203, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 76 LEU HN 79 LYS HB2 4.16 (#SUP 0.68 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1184,1238, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 76 LEU HN 79 LYS HN 3.54 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1184,1234, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 76 LEU HN 80 GLN HA 3.85 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1184,1258, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 76 LEU HN 81 LEU HG 4.44 (#SUP 0.68 #QF 0.34)
&rst
ixpk= 0, nxpk= 0, iat=1184,1280, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 76 LEU HN 81 LEU QD1 4.30 (#SUP 0.65 #QF 0.65)
&rst
ixpk= 0, nxpk= 0, iat=1184, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1282,1283,1284,
&end
#
# 76 LEU QD1 77 ARG HN 3.60 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1193,1194,1195,
&end
#
# 76 LEU QD2 77 ARG HN 5.05 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat= -1,1203, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr1=1197,1198,1199,
&end
#
# 77 ARG HA 77 ARG HG2 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1205,1210, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 77 ARG HA 77 ARG HG3 4.12 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1205,1211, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 77 ARG HA 77 ARG QG 3.61
&rst
ixpk= 0, nxpk= 0, iat=1205, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1210,1211,
&end
#
# 77 ARG HA 78 GLY HN 3.45 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1205,1227, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 77 ARG HN 77 ARG HG2 4.46 (#SUP 0.82 #QF 0.82)
&rst
ixpk= 0, nxpk= 0, iat=1203,1210, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 77 ARG HN 77 ARG HG3 4.46 (#SUP 0.87 #QF 0.87)
&rst
ixpk= 0, nxpk= 0, iat=1203,1211, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 77 ARG HN 77 ARG QB 3.69
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1207,1208,
&end
#
# 77 ARG HN 77 ARG QG 3.67
&rst
ixpk= 0, nxpk= 0, iat=1203, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1210,1211,
&end
#
# 77 ARG HN 78 GLY HN 3.91 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1203,1227, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 78 GLY HN 79 LYS HN 3.48 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1227,1234, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 79 LYS HA 79 LYS HD2 3.79 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1236,1244, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 79 LYS HA 79 LYS HD3 3.79 (#SUP 0.93 #QF 0.93)
&rst
ixpk= 0, nxpk= 0, iat=1236,1245, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 79 LYS HA 79 LYS QD 3.26
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1244,1245,
&end
#
# 79 LYS HA 79 LYS QG 3.63
&rst
ixpk= 0, nxpk= 0, iat=1236, -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr2=1241,1242,
&end
#
# 79 LYS HA 80 GLN HN 2.84 (#SUP 0.75 #QF 0.75)
&rst
ixpk= 0, nxpk= 0, iat=1236,1256, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34, &end
#
# 79 LYS HB2 79 LYS QE 4.31 (#SUP 0.99 #QF 0.23)
&rst
ixpk= 0, nxpk= 0, iat=1238, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2=1247,1248,
&end
#
# 79 LYS HB2 80 GLN HN 4.08 (#SUP 0.97 #QF 0.51)
&rst
ixpk= 0, nxpk= 0, iat=1238,1256, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 79 LYS HB3 79 LYS QE 3.90 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1239, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2=1247,1248,
&end
#
# 79 LYS HB3 80 GLN HN 3.46 (#SUP 0.93 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1239,1256, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 79 LYS HG2 79 LYS QE 3.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1241, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1247,1248,
&end
#
# 79 LYS HG3 79 LYS QE 3.87 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1242, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2=1247,1248,
&end
#
# 79 LYS HN 79 LYS HB2 3.21 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1234,1238, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 79 LYS HN 79 LYS HB3 3.82 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 79 LYS HN 79 LYS HG2 4.00 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1234,1241, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 LYS HN 79 LYS HG3 4.00 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1234,1242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 LYS HN 79 LYS QG 3.35
&rst
ixpk= 0, nxpk= 0, iat=1234, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1241,1242,
&end
#
# 79 LYS QG 79 LYS QE 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr1=1241,1242,
igr2=1247,1248,
&end
#
# 79 LYS QG 80 GLN HN 4.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1256, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr1=1241,1242,
&end
#
# 80 GLN HA 80 GLN HG2 3.94 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1258,1263, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 80 GLN HA 80 GLN HG3 3.94 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1258,1264, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 80 GLN HA 81 LEU HB2 5.34 (#SUP 0.94 #QF 0.35)
&rst
ixpk= 0, nxpk= 0, iat=1258,1277, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84, &end
#
# 80 GLN HA 81 LEU HG 4.70 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1258,1280, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 80 GLN HA 81 LEU HN 2.87 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1258,1273, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37, &end
#
# 80 GLN HN 80 GLN HG2 4.42 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1256,1263, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 GLN HN 80 GLN HG3 4.42 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1256,1264, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 GLN HN 80 GLN QB 3.59
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2=1260,1261,
&end
#
# 80 GLN HN 80 GLN QG 3.58
&rst
ixpk= 0, nxpk= 0, iat=1256, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1263,1264,
&end
#
# 80 GLN HN 81 LEU HN 4.74 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1256,1273, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 80 GLN QB 80 GLN QE2 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1260,1261,
igr2=1268,1269,
&end
#
# 80 GLN QB 81 LEU HN 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1260,1261,
&end
#
# 80 GLN QG 81 LEU HN 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1263,1264,
&end
#
# 81 LEU HA 81 LEU QD1 4.16 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2=1282,1283,1284,
&end
#
# 81 LEU HA 81 LEU QD2 2.93 (#SUP 0.95 #QF 0.95)
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
igr2=1286,1287,1288,
&end
#
# 81 LEU HA 82 ARG HA 5.13 (#SUP 0.95 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1275,1294, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 81 LEU HA 82 ARG HN 2.89 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1275,1292, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39, &end
#
# 81 LEU HB2 82 ARG HN 4.49 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1277,1292, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 81 LEU HB3 82 ARG HN 3.68 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1278,1292, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 81 LEU HN 81 LEU HB2 2.97 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1273,1277, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 81 LEU HN 81 LEU HB3 3.80 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1273,1278, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 81 LEU HN 81 LEU HG 3.47 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1273,1280, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 81 LEU HN 81 LEU QD1 4.64 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1282,1283,1284,
&end
#
# 81 LEU HN 81 LEU QD2 4.31 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1286,1287,1288,
&end
#
# 81 LEU QD2 82 ARG HN 3.83 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat= -1,1292, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1286,1287,1288,
&end
#
# 82 ARG HA 82 ARG HD2 4.16 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1294,1302, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 82 ARG HA 82 ARG HD3 4.16 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1294,1303, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 82 ARG HA 83 VAL HN 2.95 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1294,1316, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 82 ARG HA 83 VAL QG2 4.32 (#SUP 0.97 #QF 0.97)
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1326,1327,1328,
&end
#
# 82 ARG HN 82 ARG HB2 3.63 (#SUP 0.73 #QF 0.73)
&rst
ixpk= 0, nxpk= 0, iat=1292,1296, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 82 ARG HN 82 ARG HB3 3.63 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1292,1297, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13, &end
#
# 82 ARG HN 82 ARG HG2 4.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1292,1299, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 82 ARG HN 82 ARG HG3 4.67 (#SUP 0.98 #QF 0.98)
&rst
ixpk= 0, nxpk= 0, iat=1292,1300, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 82 ARG HN 83 VAL HN 4.58 (#SUP 0.90 #QF 0.90)
&rst
ixpk= 0, nxpk= 0, iat=1292,1316, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 82 ARG QB 83 VAL HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1296,1297,
&end
#
# 82 ARG QD 83 VAL HN 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1302,1303,
&end
#
# 82 ARG QG 83 VAL HA 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1318, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1299,1300,
&end
#
# 82 ARG QG 83 VAL HN 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1=1299,1300,
&end
#
# 83 VAL HA 83 VAL QG1 3.42 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1322,1323,1324,
&end
#
# 83 VAL HA 83 VAL QG2 3.25 (#SUP 0.88 #QF 0.88)
&rst
ixpk= 0, nxpk= 0, iat=1318, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2=1326,1327,1328,
&end
#
# 83 VAL HA 84 ARG HN 2.97 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1318,1332, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 83 VAL HN 83 VAL HB 3.58 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1316,1320, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 83 VAL HN 83 VAL QG2 3.58 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1326,1327,1328,
&end
#
# 83 VAL QG1 84 ARG HN 3.49 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat= -1,1332, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1=1322,1323,1324,
&end
#
# 84 ARG HA 85 PHE HN 3.51 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1334,1356, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 84 ARG HB2 85 PHE HN 4.04 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1336,1356, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 84 ARG HB3 85 PHE HN 4.04 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1337,1356, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 84 ARG HN 84 ARG HG2 4.29 (#SUP 0.92 #QF 0.92)
&rst
ixpk= 0, nxpk= 0, iat=1332,1339, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 84 ARG HN 84 ARG HG3 4.29 (#SUP 0.80 #QF 0.80)
&rst
ixpk= 0, nxpk= 0, iat=1332,1340, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 84 ARG QB 85 PHE HN 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1=1336,1337,
&end
#
# 84 ARG QG 85 PHE HN 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1356, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1339,1340,
&end
#
# 85 PHE HA 85 PHE QD 4.15 (#SUP 1.00)
&rst
ixpk= 1, nxpk= 0, iat=1358, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1364,1372,
&end
#
# 85 PHE HA 86 ALA HN 3.07 (#SUP 0.94 #QF 0.94)
&rst
ixpk= 0, nxpk= 0, iat=1358,1376, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57, &end
#
# 85 PHE HN 85 PHE HB2 3.96 (#SUP 0.91 #QF 0.91)
&rst
ixpk= 0, nxpk= 0, iat=1356,1360, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 85 PHE HN 85 PHE HB3 3.96 (#SUP 0.99 #QF 0.99)
&rst
ixpk= 0, nxpk= 0, iat=1356,1361, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 85 PHE HN 85 PHE QB 3.26
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2=1360,1361,
&end
#
# 85 PHE HN 85 PHE QD 4.00 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat=1356, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1364,1372,
&end
#
# 85 PHE HN 86 ALA HN 4.66 (#SUP 0.89 #QF 0.89)
&rst
ixpk= 0, nxpk= 0, iat=1356,1376, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 85 PHE QB 86 ALA HN 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1360,1361,
&end
#
# 85 PHE QD 86 ALA HN 4.43 (#SUP 0.96 #QF 0.96)
&rst
ixpk= 0, nxpk= 0, iat= -1,1376, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1364,1372,
&end
#
# 86 ALA HN 86 ALA QB 3.28 (#SUP 0.86 #QF 0.86)
&rst
ixpk= 0, nxpk= 0, iat=1376, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1380,1381,1382,
&end
#
# 86 ALA QB 87 CYS HN 4.16 (#SUP 0.87 #QF 0.61)
&rst
ixpk= 0, nxpk= 0, iat= -1,1386, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1=1380,1381,1382,
&end
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