NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
580764 |
2rug   |
11563 | cing | 1-original | 3 | AMBER | distance | NOE | simple |
# 8 SER HA 9 ARG+ HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= 71, 80, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
&end
#
# 8 SER HB2 9 ARG+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 73, 80, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 SER HB3 9 ARG+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= 74, 80, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 8 SER HN 8 SER HB2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 69, 73, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 8 SER HN 8 SER HB3 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 69, 74, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 8 SER QB 10 LYS+ HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 73, 74,
&end
#
# 9 ARG+ HA 10 LYS+ HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 82, 104, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 9 ARG+ HA 62 GLU- HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 82, 937, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 9 ARG+ HA 62 GLU- QG 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 942, 943,
&end
#
# 9 ARG+ HA 65 VAL HB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 82, 976, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 9 ARG+ HA 65 VAL QG2 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2= 982, 983, 984,
&end
#
# 9 ARG+ HA 9 ARG+ HD2 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 82, 90, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 ARG+ HA 9 ARG+ HD3 1.80 4.91
&rst
ixpk= 0, nxpk= 0, iat= 82, 91, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41, &end
#
# 9 ARG+ HA 9 ARG+ HG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 82, 87, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 9 ARG+ HA 9 ARG+ HG3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 82, 88, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 9 ARG+ HA 9 ARG+ QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 90, 91,
&end
#
# 9 ARG+ HA 9 ARG+ QG 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 82, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 87, 88,
&end
#
# 9 ARG+ HB2 59 PHE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 84, 883, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 9 ARG+ HB2 65 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 84, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 982, 983, 984,
&end
#
# 9 ARG+ HB3 59 PHE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= 85, 883, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 9 ARG+ HB3 65 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 85, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 982, 983, 984,
&end
#
# 9 ARG+ HD2 60 GLN HA 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 90, 905, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 9 ARG+ HD2 62 GLU- HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 90, 937, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 ARG+ HD2 62 GLU- QG 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 90, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 942, 943,
&end
#
# 9 ARG+ HD3 60 GLN HA 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 91, 905, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73, &end
#
# 9 ARG+ HD3 62 GLU- HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 91, 937, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 9 ARG+ HD3 62 GLU- QG 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 91, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 942, 943,
&end
#
# 9 ARG+ HG2 62 GLU- HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 87, 937, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 9 ARG+ HG2 62 GLU- QG 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 87, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 942, 943,
&end
#
# 9 ARG+ HG3 62 GLU- HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 88, 937, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 9 ARG+ HG3 62 GLU- QG 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 88, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 942, 943,
&end
#
# 9 ARG+ HN 10 LYS+ HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 80, 104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 9 ARG+ HN 9 ARG+ HG2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 80, 87, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ARG+ HN 9 ARG+ HG3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 80, 88, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 9 ARG+ HN 9 ARG+ QB 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 80, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 84, 85,
&end
#
# 9 ARG+ QB 10 LYS+ HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 104, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr1= 84, 85,
&end
#
# 9 ARG+ QB 58 LEU QD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 84, 85,
igr2= 877, 878, 879,
&end
#
# 9 ARG+ QB 59 PHE HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 84, 85,
&end
#
# 9 ARG+ QB 65 VAL QG2 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 84, 85,
igr2= 982, 983, 984,
&end
#
# 9 ARG+ QB 9 ARG+ QD 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr1= 84, 85,
igr2= 90, 91,
&end
#
# 9 ARG+ QD 60 GLN HA 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 905, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 90, 91,
&end
#
# 9 ARG+ QD 62 GLU- HA 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 90, 91,
&end
#
# 9 ARG+ QD 62 GLU- QB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 90, 91,
igr2= 939, 940,
&end
#
# 9 ARG+ QG 62 GLU- HA 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 937, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 87, 88,
&end
#
# 9 ARG+ QG 62 GLU- QB 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 87, 88,
igr2= 939, 940,
&end
#
# 9 ARG+ QG 65 VAL QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 87, 88,
igr2= 982, 983, 984,
&end
#
# 10 LYS+ HA 10 LYS+ HG2 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 106, 111, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 LYS+ HA 10 LYS+ HG3 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 106, 112, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 10 LYS+ HA 10 LYS+ QG 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr2= 111, 112,
&end
#
# 10 LYS+ HA 11 VAL HN 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 106, 126, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 10 LYS+ HA 11 VAL QG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 136, 137, 138,
&end
#
# 10 LYS+ HA 58 LEU HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 106, 866, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 10 LYS+ HA 58 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 106, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ HA 59 PHE HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 106, 883, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 10 LYS+ HB2 58 LEU QD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 108, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ HB3 58 LEU QD2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 109, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ HD2 56 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 833, 841,
&end
#
# 10 LYS+ HD2 58 LEU QD2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 114, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ HD3 56 PHE QD 1.80 5.00
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 833, 841,
&end
#
# 10 LYS+ HD3 58 LEU QD2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ HN 10 LYS+ HB2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 104, 108, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 10 LYS+ HN 10 LYS+ HB3 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 104, 109, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06, &end
#
# 10 LYS+ HN 10 LYS+ QG 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 111, 112,
&end
#
# 10 LYS+ HN 58 LEU QD2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ HN 65 VAL QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 982, 983, 984,
&end
#
# 10 LYS+ QB 58 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1= 108, 109,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ QB 98 TRP QB 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 108, 109,
igr2=1495,1496,
&end
#
# 10 LYS+ QD 56 PHE QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 114, 115,
igr2= 829, 830,
&end
#
# 10 LYS+ QD 56 PHE QD 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 114, 115,
igr2= 833, 841,
&end
#
# 10 LYS+ QD 98 TRP QB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 114, 115,
igr2=1495,1496,
&end
#
# 10 LYS+ QE 56 PHE QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr1= 117, 118,
igr2= 833, 841,
&end
#
# 10 LYS+ QE 58 LEU QD2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 117, 118,
igr2= 877, 878, 879,
&end
#
# 10 LYS+ QG 11 VAL HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 126, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 111, 112,
&end
#
# 10 LYS+ QG 56 PHE QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 111, 112,
igr2= 829, 830,
&end
#
# 10 LYS+ QG 56 PHE QD 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
igr1= 111, 112,
igr2= 833, 841,
&end
#
# 10 LYS+ QG 98 TRP QB 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 111, 112,
igr2=1495,1496,
&end
#
# 11 VAL HA 11 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 132, 133, 134,
&end
#
# 11 VAL HA 11 VAL QG2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 136, 137, 138,
&end
#
# 11 VAL HA 12 PHE HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 128, 142, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 11 VAL HA 97 PRO HA 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat= 128,1487, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 11 VAL HA 98 TRP HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 128,1491, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 11 VAL HA 98 TRP QB 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 128, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1495,1496,
&end
#
# 11 VAL HB 12 PHE HN 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= 130, 142, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 11 VAL HB 13 VAL QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 172, 173, 174,
&end
#
# 11 VAL HB 57 LEU HB2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 130, 849, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 11 VAL HB 57 LEU HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 130, 850, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 11 VAL HB 57 LEU HG 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 130, 852, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 11 VAL HB 57 LEU HN 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 130, 845, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03, &end
#
# 11 VAL HB 57 LEU QD1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 854, 855, 856,
&end
#
# 11 VAL HB 59 PHE QE 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 893, 897,
&end
#
# 11 VAL HN 11 VAL HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 11 VAL HN 11 VAL QG2 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 136, 137, 138,
&end
#
# 11 VAL HN 57 LEU HB2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 126, 849, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 11 VAL HN 57 LEU HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 126, 845, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 11 VAL HN 58 LEU HA 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 126, 866, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 11 VAL HN 58 LEU QD2 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 126, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 877, 878, 879,
&end
#
# 11 VAL QG1 12 PHE HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 57 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 132, 133, 134,
igr2= 854, 855, 856,
&end
#
# 11 VAL QG1 59 PHE HZ 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 59 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 132, 133, 134,
igr2= 891, 899,
&end
#
# 11 VAL QG1 95 ILE QG2 1.80 2.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1= 132, 133, 134,
igr2=1440,1441,1442,
&end
#
# 11 VAL QG1 96 ARG+ HA 1.80 5.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 96 ARG+ HN 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 97 PRO HA 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 97 PRO HG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 97 PRO HG3 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr1= 132, 133, 134,
&end
#
# 11 VAL QG1 97 PRO QD 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 132, 133, 134,
igr2=1478,1479,
&end
#
# 11 VAL QG1 97 PRO QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 132, 133, 134,
igr2=1481,1482,
&end
#
# 11 VAL QG2 12 PHE HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 142, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 57 LEU HB2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 57 LEU QD1 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 136, 137, 138,
igr2= 854, 855, 856,
&end
#
# 11 VAL QG2 59 PHE QD 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 136, 137, 138,
igr2= 891, 899,
&end
#
# 11 VAL QG2 59 PHE QE 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 136, 137, 138,
igr2= 893, 897,
&end
#
# 11 VAL QG2 65 VAL HA 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 65 VAL HB 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 976, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 97 PRO HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 97 PRO HB2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 97 PRO HB3 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 136, 137, 138,
&end
#
# 11 VAL QG2 97 PRO QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 136, 137, 138,
igr2=1484,1485,
&end
#
# 11 VAL QG2 98 TRP HN 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1491, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1= 136, 137, 138,
&end
#
# 12 PHE HA 12 PHE QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 150, 158,
&end
#
# 12 PHE HA 56 PHE HA 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 144, 827, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 12 PHE HA 56 PHE QD 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 144, -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr2= 833, 841,
&end
#
# 12 PHE HA 57 LEU HN 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat= 144, 845, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38, &end
#
# 12 PHE HB2 96 ARG+ HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 146,1457, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 PHE HB2 96 ARG+ HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 146,1458, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 PHE HB2 98 TRP HE3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 146,1510, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 PHE HB3 96 ARG+ HB2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 147,1457, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 PHE HB3 96 ARG+ HB3 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 147,1458, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 12 PHE HB3 98 TRP HE3 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 147,1510, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 12 PHE HN 12 PHE HB2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 142, 146, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 PHE HN 12 PHE HB3 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 142, 147, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 12 PHE HN 96 ARG+ HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 142,1453, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 12 PHE HN 96 ARG+ QB 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 142, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2=1457,1458,
&end
#
# 12 PHE HN 97 PRO HA 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 142,1487, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 12 PHE HZ 14 GLY HA3 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 154, 181, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 12 PHE HZ 54 TYR HB2 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 154, 798, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 PHE HZ 54 TYR HB3 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 154, 799, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 12 PHE QB 56 PHE QE 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 146, 147,
igr2= 835, 839,
&end
#
# 12 PHE QB 96 ARG+ HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
igr1= 146, 147,
&end
#
# 12 PHE QB 96 ARG+ QB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 146, 147,
igr2=1457,1458,
&end
#
# 12 PHE QB 98 TRP HE3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1510, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 146, 147,
&end
#
# 12 PHE QD 13 VAL HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 150, 158,
&end
#
# 12 PHE QD 13 VAL HN 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 162, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 150, 158,
&end
#
# 12 PHE QD 96 ARG+ HB2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1457, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 150, 158,
&end
#
# 12 PHE QD 96 ARG+ HB3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1,1458, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 150, 158,
&end
#
# 12 PHE QD 96 ARG+ HG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1460, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 150, 158,
&end
#
# 12 PHE QD 96 ARG+ HG3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1461, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 150, 158,
&end
#
# 12 PHE QD 96 ARG+ HN 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 150, 158,
&end
#
# 12 PHE QD 96 ARG+ QD 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 150, 158,
igr2=1463,1464,
&end
#
# 12 PHE QE 14 GLY HA3 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 181, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 152, 156,
&end
#
# 12 PHE QE 54 TYR QB 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1= 152, 156,
igr2= 798, 799,
&end
#
# 12 PHE QE 55 ALA HN 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 152, 156,
&end
#
# 12 PHE QE 96 ARG+ QD 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 152, 156,
igr2=1463,1464,
&end
#
# 13 VAL HA 13 VAL QG1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 168, 169, 170,
&end
#
# 13 VAL HA 13 VAL QG2 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 172, 173, 174,
&end
#
# 13 VAL HA 14 GLY HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 164, 178, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 13 VAL HA 95 ILE HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 164,1436, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 VAL HA 95 ILE QD1 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 164, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1447,1448,1449,
&end
#
# 13 VAL HA 96 ARG+ HN 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 164,1453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 13 VAL HB 14 GLY HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 166, 178, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 13 VAL HB 16 LEU QD1 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 201, 202, 203,
&end
#
# 13 VAL HB 16 LEU QD2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 205, 206, 207,
&end
#
# 13 VAL HB 25 ILE QG2 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 330, 331, 332,
&end
#
# 13 VAL HB 55 ALA HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 166, 815, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 13 VAL HB 55 ALA QB 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
igr2= 819, 820, 821,
&end
#
# 13 VAL HB 57 LEU QD1 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 854, 855, 856,
&end
#
# 13 VAL HB 57 LEU QD2 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 858, 859, 860,
&end
#
# 13 VAL HB 95 ILE HA 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 166,1436, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 13 VAL HB 95 ILE QD1 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= 166, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr2=1447,1448,1449,
&end
#
# 13 VAL HN 13 VAL HB 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 162, 166, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 13 VAL HN 13 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2= 168, 169, 170,
&end
#
# 13 VAL HN 13 VAL QG2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 162, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 172, 173, 174,
&end
#
# 13 VAL HN 55 ALA HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 162, 815, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 13 VAL HN 56 PHE HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 162, 827, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 13 VAL QG1 14 GLY HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 168, 169, 170,
&end
#
# 13 VAL QG1 16 LEU HG 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 199, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 168, 169, 170,
&end
#
# 13 VAL QG1 16 LEU QD2 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 168, 169, 170,
igr2= 205, 206, 207,
&end
#
# 13 VAL QG1 29 PHE HZ 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 168, 169, 170,
&end
#
# 13 VAL QG1 29 PHE QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 168, 169, 170,
igr2= 388, 392,
&end
#
# 13 VAL QG1 55 ALA HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1= 168, 169, 170,
&end
#
# 13 VAL QG1 57 LEU QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 168, 169, 170,
igr2= 854, 855, 856,
&end
#
# 13 VAL QG1 57 LEU QD2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
igr1= 168, 169, 170,
igr2= 858, 859, 860,
&end
#
# 13 VAL QG1 93 VAL HB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 168, 169, 170,
&end
#
# 13 VAL QG2 14 GLY HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 178, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1= 172, 173, 174,
&end
#
# 13 VAL QG2 29 PHE HZ 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 390, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 172, 173, 174,
&end
#
# 13 VAL QG2 29 PHE QE 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 172, 173, 174,
igr2= 388, 392,
&end
#
# 13 VAL QG2 55 ALA HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr1= 172, 173, 174,
&end
#
# 13 VAL QG2 57 LEU HG 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, 852, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
igr1= 172, 173, 174,
&end
#
# 13 VAL QG2 57 LEU HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr1= 172, 173, 174,
&end
#
# 13 VAL QG2 57 LEU QD1 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 172, 173, 174,
igr2= 854, 855, 856,
&end
#
# 13 VAL QG2 57 LEU QD2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 172, 173, 174,
igr2= 858, 859, 860,
&end
#
# 13 VAL QG2 93 VAL HB 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 172, 173, 174,
&end
#
# 14 GLY HA2 54 TYR HA 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 180, 796, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 14 GLY HA3 54 TYR HA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 181, 796, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89, &end
#
# 14 GLY HA3 54 TYR QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 181, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 798, 799,
&end
#
# 14 GLY HA3 55 ALA HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= 181, 815, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 14 GLY HN 93 VAL HB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 178,1405, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 14 GLY HN 93 VAL QG1 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1407,1408,1409,
&end
#
# 14 GLY HN 94 GLN HB2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 178,1421, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 GLY HN 94 GLN HB3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 178,1422, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 14 GLY HN 94 GLN HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 178,1417, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 14 GLY HN 94 GLN QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 178, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1421,1422,
&end
#
# 14 GLY HN 95 ILE HA 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 178,1436, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 15 GLY HN 16 LEU HG 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= 185, 199, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 15 GLY HN 16 LEU HN 1.80 3.52
&rst
ixpk= 0, nxpk= 0, iat= 185, 192, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02, &end
#
# 15 GLY HN 16 LEU QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 185, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 196, 197,
&end
#
# 15 GLY HN 54 TYR HA 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 185, 796, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 15 GLY QA 93 VAL QG1 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr1= 187, 188,
igr2=1407,1408,1409,
&end
#
# 16 LEU HA 16 LEU HG 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55, &end
#
# 16 LEU HA 16 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 201, 202, 203,
&end
#
# 16 LEU HA 16 LEU QD2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
igr2= 205, 206, 207,
&end
#
# 16 LEU HA 17 PRO HD2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 194, 212, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 16 LEU HA 17 PRO HD3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 194, 213, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 16 LEU HA 17 PRO QD 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 212, 213,
&end
#
# 16 LEU HA 17 PRO QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 215, 216,
&end
#
# 16 LEU HA 20 ILE QD1 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 264, 265, 266,
&end
#
# 16 LEU HA 20 ILE QG2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 257, 258, 259,
&end
#
# 16 LEU HA 83 VAL QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2=1256,1257,1258,
&end
#
# 16 LEU HA 93 VAL QG1 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1407,1408,1409,
&end
#
# 16 LEU HA 93 VAL QG2 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat= 194, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2=1411,1412,1413,
&end
#
# 16 LEU HG 54 TYR HA 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 199, 796, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 16 LEU HG 55 ALA QB 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 819, 820, 821,
&end
#
# 16 LEU HG 93 VAL QG1 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2=1407,1408,1409,
&end
#
# 16 LEU HN 16 LEU HG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 192, 199, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 16 LEU HN 16 LEU QB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 196, 197,
&end
#
# 16 LEU HN 16 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 201, 202, 203,
&end
#
# 16 LEU HN 16 LEU QD2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 205, 206, 207,
&end
#
# 16 LEU HN 53 GLY HA2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 192, 789, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 16 LEU HN 53 GLY HA3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 192, 790, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 16 LEU HN 93 VAL QG1 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 192, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2=1407,1408,1409,
&end
#
# 16 LEU QB 16 LEU QD1 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 196, 197,
igr2= 201, 202, 203,
&end
#
# 16 LEU QB 16 LEU QD2 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 196, 197,
igr2= 205, 206, 207,
&end
#
# 16 LEU QB 17 PRO HD2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 196, 197,
&end
#
# 16 LEU QB 17 PRO HD3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 196, 197,
&end
#
# 16 LEU QB 17 PRO QD 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 196, 197,
igr2= 212, 213,
&end
#
# 16 LEU QB 20 ILE QG2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 196, 197,
igr2= 257, 258, 259,
&end
#
# 16 LEU QB 53 GLY HA2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 789, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 196, 197,
&end
#
# 16 LEU QB 53 GLY HA3 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 790, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 196, 197,
&end
#
# 16 LEU QB 53 GLY QA 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 196, 197,
igr2= 789, 790,
&end
#
# 16 LEU QB 54 TYR HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 196, 197,
&end
#
# 16 LEU QD1 20 ILE QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 201, 202, 203,
igr2= 257, 258, 259,
&end
#
# 16 LEU QD1 25 ILE QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 201, 202, 203,
igr2= 337, 338, 339,
&end
#
# 16 LEU QD1 25 ILE QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1= 201, 202, 203,
igr2= 330, 331, 332,
&end
#
# 16 LEU QD1 50 PRO QB 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 201, 202, 203,
igr2= 744, 745,
&end
#
# 16 LEU QD1 53 GLY QA 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
igr1= 201, 202, 203,
igr2= 789, 790,
&end
#
# 16 LEU QD1 54 TYR HA 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, 796, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 201, 202, 203,
&end
#
# 16 LEU QD1 54 TYR HN 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 201, 202, 203,
&end
#
# 16 LEU QD1 55 ALA HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 201, 202, 203,
&end
#
# 16 LEU QD1 55 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 201, 202, 203,
igr2= 819, 820, 821,
&end
#
# 16 LEU QD2 17 PRO HD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 212, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 205, 206, 207,
&end
#
# 16 LEU QD2 17 PRO HD3 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 213, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 205, 206, 207,
&end
#
# 16 LEU QD2 20 ILE QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 205, 206, 207,
igr2= 264, 265, 266,
&end
#
# 16 LEU QD2 29 PHE QE 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
igr1= 205, 206, 207,
igr2= 388, 392,
&end
#
# 16 LEU QD2 93 VAL HB 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 205, 206, 207,
&end
#
# 17 PRO HA 17 PRO QG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 215, 216,
&end
#
# 17 PRO HA 18 PRO HD2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 221, 226, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 17 PRO HA 18 PRO HD3 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat= 221, 227, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 17 PRO HA 88 ILE QD1 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 221, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1325,1326,1327,
&end
#
# 17 PRO HB2 18 PRO HD2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 218, 226, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 17 PRO HB2 19 ASP- HN 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 218, 239, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 17 PRO HB2 20 ILE HB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 218, 255, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 17 PRO HB2 20 ILE HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 218, 251, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 17 PRO HB2 20 ILE QG2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 257, 258, 259,
&end
#
# 17 PRO HB3 18 PRO HD2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 219, 226, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 17 PRO HB3 18 PRO HD3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 219, 227, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 17 PRO HB3 19 ASP- HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 219, 239, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 17 PRO HB3 85 SER HB2 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 219,1277, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 17 PRO HB3 85 SER HB3 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 219,1278, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 17 PRO HB3 88 ILE HB 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 219,1316, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 17 PRO HB3 88 ILE QD1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2=1325,1326,1327,
&end
#
# 17 PRO HB3 88 ILE QG1 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1322,1323,
&end
#
# 17 PRO HB3 88 ILE QG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 219, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1318,1319,1320,
&end
#
# 17 PRO HD2 17 PRO QG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 215, 216,
&end
#
# 17 PRO HD2 20 ILE QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 264, 265, 266,
&end
#
# 17 PRO HD2 20 ILE QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 257, 258, 259,
&end
#
# 17 PRO HD2 83 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1256,1257,1258,
&end
#
# 17 PRO HD2 93 VAL QG1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 212, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1407,1408,1409,
&end
#
# 17 PRO HD3 17 PRO QG 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 215, 216,
&end
#
# 17 PRO HD3 20 ILE QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 264, 265, 266,
&end
#
# 17 PRO HD3 20 ILE QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 257, 258, 259,
&end
#
# 17 PRO HD3 83 VAL QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1256,1257,1258,
&end
#
# 17 PRO HD3 93 VAL QG1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1407,1408,1409,
&end
#
# 17 PRO QD 17 PRO HB2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= -1, 218, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 212, 213,
&end
#
# 17 PRO QD 17 PRO HB3 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1, 219, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 212, 213,
&end
#
# 17 PRO QD 20 ILE HB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 212, 213,
&end
#
# 17 PRO QD 20 ILE QG2 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 212, 213,
igr2= 257, 258, 259,
&end
#
# 17 PRO QD 83 VAL QG2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 212, 213,
igr2=1256,1257,1258,
&end
#
# 17 PRO QD 91 LYS+ QG 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1= 212, 213,
igr2=1372,1373,
&end
#
# 17 PRO QD 93 VAL QG1 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 212, 213,
igr2=1407,1408,1409,
&end
#
# 17 PRO QG 20 ILE HB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 255, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 215, 216,
&end
#
# 17 PRO QG 20 ILE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 251, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 17 PRO QG 20 ILE QD1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 215, 216,
igr2= 264, 265, 266,
&end
#
# 17 PRO QG 20 ILE QG2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 215, 216,
igr2= 257, 258, 259,
&end
#
# 17 PRO QG 83 VAL QG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 215, 216,
igr2=1256,1257,1258,
&end
#
# 17 PRO QG 84 SER HA 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 215, 216,
&end
#
# 17 PRO QG 85 SER HB2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1277, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 215, 216,
&end
#
# 17 PRO QG 85 SER HB3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1278, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 215, 216,
&end
#
# 17 PRO QG 85 SER HN 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 215, 216,
&end
#
# 17 PRO QG 85 SER QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 215, 216,
igr2=1277,1278,
&end
#
# 18 PRO HA 18 PRO HG3 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 235, 230, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 18 PRO HA 20 ILE HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 235, 251, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 18 PRO HB2 19 ASP- HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 232, 239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 18 PRO HB3 19 ASP- HN 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 233, 239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 18 PRO HD2 18 PRO HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 PRO HD2 18 PRO HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 226, 233, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 18 PRO HD2 18 PRO HG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 226, 229, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 PRO HD2 19 ASP- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 226, 239, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 18 PRO HD2 19 ASP- QB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 243, 244,
&end
#
# 18 PRO HD2 88 ILE QD1 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 226, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2=1325,1326,1327,
&end
#
# 18 PRO HD3 18 PRO HA 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 227, 235, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 18 PRO HD3 18 PRO HB2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 227, 232, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 18 PRO HD3 18 PRO HB3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 227, 233, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 18 PRO HD3 18 PRO HG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 18 PRO HD3 18 PRO QB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 232, 233,
&end
#
# 18 PRO HD3 19 ASP- HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 227, 239, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 18 PRO HD3 88 ILE QD1 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 227, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2=1325,1326,1327,
&end
#
# 18 PRO HG2 19 ASP- HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 229, 239, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 18 PRO HG2 19 ASP- QB 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 229, -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr2= 243, 244,
&end
#
# 18 PRO QB 19 ASP- HN 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, 239, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1= 232, 233,
&end
#
# 19 ASP- HA 49 PHE QD 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 725, 733,
&end
#
# 19 ASP- HA 49 PHE QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 241, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 727, 731,
&end
#
# 19 ASP- HN 20 ILE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 239, 251, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 19 ASP- HN 20 ILE QD1 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 239, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2= 264, 265, 266,
&end
#
# 20 ILE HA 20 ILE QD1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 264, 265, 266,
&end
#
# 20 ILE HA 20 ILE QG1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 253, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2= 261, 262,
&end
#
# 20 ILE HB 20 ILE QD1 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2= 264, 265, 266,
&end
#
# 20 ILE HB 21 ASP- HN 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 255, 270, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 20 ILE HB 24 GLU- QB 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 255, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr2= 313, 314,
&end
#
# 20 ILE HB 85 SER HB2 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 255,1277, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 ILE HB 85 SER HB3 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 255,1278, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 20 ILE HG12 21 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 261, 270, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 20 ILE HG12 24 GLU- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 261, 313, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 ILE HG12 24 GLU- HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 261, 314, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 ILE HG13 21 ASP- HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 262, 270, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 20 ILE HG13 24 GLU- HB2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 262, 313, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 ILE HG13 24 GLU- HB3 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 262, 314, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 20 ILE HN 20 ILE HB 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 251, 255, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 ILE HN 20 ILE QD1 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 264, 265, 266,
&end
#
# 20 ILE HN 20 ILE QG2 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 251, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 257, 258, 259,
&end
#
# 20 ILE QD1 21 ASP- HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 264, 265, 266,
&end
#
# 20 ILE QD1 24 GLU- HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 313, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 264, 265, 266,
&end
#
# 20 ILE QD1 24 GLU- HB3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 314, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr1= 264, 265, 266,
&end
#
# 20 ILE QD1 24 GLU- QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 264, 265, 266,
igr2= 313, 314,
&end
#
# 20 ILE QD1 24 GLU- QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 264, 265, 266,
igr2= 316, 317,
&end
#
# 20 ILE QD1 25 ILE HA 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 326, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 264, 265, 266,
&end
#
# 20 ILE QD1 25 ILE HG12 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1= 264, 265, 266,
&end
#
# 20 ILE QD1 85 SER HA 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1,1275, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr1= 264, 265, 266,
&end
#
# 20 ILE QD1 85 SER QB 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 264, 265, 266,
igr2=1277,1278,
&end
#
# 20 ILE QG1 21 ASP- HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 261, 262,
&end
#
# 20 ILE QG1 24 GLU- QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr1= 261, 262,
igr2= 313, 314,
&end
#
# 20 ILE QG1 24 GLU- QG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 261, 262,
igr2= 316, 317,
&end
#
# 20 ILE QG1 25 ILE HG12 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr1= 261, 262,
&end
#
# 20 ILE QG1 25 ILE HG13 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 261, 262,
&end
#
# 20 ILE QG2 20 ILE HG12 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 261, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 257, 258, 259,
&end
#
# 20 ILE QG2 20 ILE HG13 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 262, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 257, 258, 259,
&end
#
# 20 ILE QG2 21 ASP- HA 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 272, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 257, 258, 259,
&end
#
# 20 ILE QG2 21 ASP- HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 270, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 257, 258, 259,
&end
#
# 20 ILE QG2 24 GLU- QB 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 257, 258, 259,
igr2= 313, 314,
&end
#
# 20 ILE QG2 25 ILE HG12 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 257, 258, 259,
&end
#
# 20 ILE QG2 25 ILE HG13 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1= 257, 258, 259,
&end
#
# 21 ASP- HA 49 PHE QD 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 272, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 725, 733,
&end
#
# 21 ASP- HB2 22 GLU- HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 274, 282, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 21 ASP- HB2 49 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 733,
&end
#
# 21 ASP- HB2 49 PHE QE 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 274, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 727, 731,
&end
#
# 21 ASP- HB3 22 GLU- HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 275, 282, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 21 ASP- HB3 49 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 725, 733,
&end
#
# 21 ASP- HB3 49 PHE QE 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 275, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 727, 731,
&end
#
# 21 ASP- HN 24 GLU- HB2 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 270, 313, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 21 ASP- HN 24 GLU- HB3 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 270, 314, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 21 ASP- QB 23 ASP- HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 274, 275,
&end
#
# 21 ASP- QB 48 TYR QB 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
igr1= 274, 275,
igr2= 700, 701,
&end
#
# 21 ASP- QB 48 TYR QD 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr1= 274, 275,
igr2= 704, 713,
&end
#
# 21 ASP- QB 49 PHE QE 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1= 274, 275,
igr2= 727, 731,
&end
#
# 22 GLU- HA 22 GLU- HG2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 284, 289, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 GLU- HA 22 GLU- HG3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 284, 290, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 22 GLU- HA 22 GLU- QG 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 289, 290,
&end
#
# 22 GLU- HA 25 ILE HB 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= 284, 328, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 22 GLU- HA 25 ILE HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 284, 324, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 22 GLU- HA 25 ILE QD1 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 337, 338, 339,
&end
#
# 22 GLU- HA 25 ILE QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 330, 331, 332,
&end
#
# 22 GLU- HA 37 VAL QG1 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 284, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 528, 529, 530,
&end
#
# 22 GLU- HA 39 TRP HH2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 284, 565, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 22 GLU- HA 39 TRP HZ2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 284, 563, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 22 GLU- HA 39 TRP HZ3 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 284, 567, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 22 GLU- HB2 23 ASP- HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 286, 297, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 22 GLU- HB2 39 TRP HH2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 286, 565, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 GLU- HB3 23 ASP- HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 287, 297, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 22 GLU- HB3 39 TRP HH2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 287, 565, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 GLU- HG2 37 VAL HB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 289, 526, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 GLU- HG2 37 VAL QG1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 528, 529, 530,
&end
#
# 22 GLU- HG2 37 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 532, 533, 534,
&end
#
# 22 GLU- HG3 37 VAL HB 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 290, 526, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 22 GLU- HG3 37 VAL QG1 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 528, 529, 530,
&end
#
# 22 GLU- HG3 37 VAL QG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 290, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2= 532, 533, 534,
&end
#
# 22 GLU- HN 22 GLU- HB2 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 282, 286, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 GLU- HN 22 GLU- HB3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 282, 287, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 22 GLU- HN 22 GLU- HG2 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 282, 289, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 GLU- HN 22 GLU- HG3 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 22 GLU- HN 22 GLU- QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 289, 290,
&end
#
# 22 GLU- HN 25 ILE QD1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 337, 338, 339,
&end
#
# 22 GLU- HN 39 TRP HH2 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 282, 565, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 22 GLU- HN 48 TYR QB 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 282, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 700, 701,
&end
#
# 22 GLU- QB 23 ASP- HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 286, 287,
&end
#
# 22 GLU- QB 25 ILE QD1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1= 286, 287,
igr2= 337, 338, 339,
&end
#
# 22 GLU- QB 39 TRP HH2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 286, 287,
&end
#
# 22 GLU- QB 39 TRP HZ2 1.80 5.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 286, 287,
&end
#
# 22 GLU- QG 23 ASP- HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 299, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 289, 290,
&end
#
# 22 GLU- QG 23 ASP- HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, 297, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr1= 289, 290,
&end
#
# 22 GLU- QG 37 VAL HB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 526, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr1= 289, 290,
&end
#
# 22 GLU- QG 37 VAL QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 289, 290,
igr2= 532, 533, 534,
&end
#
# 22 GLU- QG 39 TRP HH2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr1= 289, 290,
&end
#
# 23 ASP HA 26 THR HB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 299, 347, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 23 ASP- HA 26 THR HG1 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= 299, 353, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 23 ASP- HA 26 THR HN 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 299, 343, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 23 ASP- HA 26 THR QG2 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 299, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 349, 350, 351,
&end
#
# 23 ASP- HA 27 ALA HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 299, 357, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 23 ASP- HB2 24 GLU- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 301, 309, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 23 ASP- HB3 24 GLU- HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 302, 309, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 23 ASP- HN 23 ASP- HB2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 297, 301, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 ASP- HN 23 ASP- HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 297, 302, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 23 ASP- HN 23 ASP- QB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 297, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2= 301, 302,
&end
#
# 24 GLU- HA 24 GLU- HG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 311, 316, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 24 GLU- HA 24 GLU- HG3 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 311, 317, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 24 GLU- HA 27 ALA HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 311, 357, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 24 GLU- HA 27 ALA QB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
igr2= 361, 362, 363,
&end
#
# 24 GLU- HB2 25 ILE HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 313, 324, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 24 GLU- HB3 25 ILE HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 314, 324, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 24 GLU HG2 86 PRO HD2 4.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 316,1285, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 24 GLU HG2 86 PRO HD3 4.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 316,1286, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 24 GLU HG3 86 PRO HD2 4.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 317,1285, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 24 GLU HG3 86 PRO HD3 4.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 317,1286, r1= 4.00, r2= 4.50, r3=100.00, r4=100.50, &end
#
# 24 GLU- HN 24 GLU- HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 309, 313, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 24 GLU- HN 24 GLU- HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 309, 314, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 24 GLU- HN 24 GLU- HG2 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU- HN 24 GLU- HG3 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= 309, 317, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 24 GLU- HN 24 GLU- QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 313, 314,
&end
#
# 24 GLU- HN 24 GLU- QG 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 309, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 316, 317,
&end
#
# 24 GLU- HN 25 ILE HG13 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 309, 335, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 24 GLU- HN 25 ILE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 309, 324, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 24 GLU- QB 25 ILE HG13 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 313, 314,
&end
#
# 24 GLU- QB 25 ILE HN 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 324, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1= 313, 314,
&end
#
# 24 GLU- QB 27 ALA QB 1.80 5.33
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
igr1= 313, 314,
igr2= 361, 362, 363,
&end
#
# 25 ILE HA 25 ILE HG12 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 326, 334, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 25 ILE HA 25 ILE HG13 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 326, 335, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 25 ILE HA 25 ILE QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2= 337, 338, 339,
&end
#
# 25 ILE HA 25 ILE QG2 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 330, 331, 332,
&end
#
# 25 ILE HA 28 SER HB2 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 326, 371, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 25 ILE HA 28 SER HB3 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= 326, 372, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 25 ILE HA 28 SER HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 326, 367, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 25 ILE HA 28 SER QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 371, 372,
&end
#
# 25 ILE HA 29 PHE QD 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 386, 394,
&end
#
# 25 ILE HA 29 PHE QE 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 388, 392,
&end
#
# 25 ILE HA 57 LEU QD2 1.80 5.07
&rst
ixpk= 0, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 858, 859, 860,
&end
#
# 25 ILE HB 25 ILE QD1 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 337, 338, 339,
&end
#
# 25 ILE HB 26 THR HN 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 328, 343, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 25 ILE HB 37 VAL QG2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 532, 533, 534,
&end
#
# 25 ILE HB 57 LEU QD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2= 858, 859, 860,
&end
#
# 25 ILE HG13 26 THR HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 335, 343, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 25 ILE HN 25 ILE HB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 324, 328, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 25 ILE HN 25 ILE HG12 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= 324, 334, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 25 ILE HN 25 ILE HG13 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 324, 335, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 25 ILE HN 25 ILE QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 337, 338, 339,
&end
#
# 25 ILE HN 25 ILE QG2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 324, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 330, 331, 332,
&end
#
# 25 ILE HN 26 THR HN 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 324, 343, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 25 ILE QD1 26 THR HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
igr1= 337, 338, 339,
&end
#
# 25 ILE QD1 37 VAL QG1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 337, 338, 339,
igr2= 528, 529, 530,
&end
#
# 25 ILE QD1 39 TRP HH2 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat= -1, 565, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 337, 338, 339,
&end
#
# 25 ILE QD1 39 TRP HZ3 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 337, 338, 339,
&end
#
# 25 ILE QD1 50 PRO QD 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1= 337, 338, 339,
igr2= 738, 739,
&end
#
# 25 ILE QD1 55 ALA QB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 337, 338, 339,
igr2= 819, 820, 821,
&end
#
# 25 ILE QG2 25 ILE HG12 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 334, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1= 330, 331, 332,
&end
#
# 25 ILE QG2 26 THR HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 345, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 330, 331, 332,
&end
#
# 25 ILE QG2 26 THR HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 343, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 330, 331, 332,
&end
#
# 25 ILE QG2 29 PHE QD 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr1= 330, 331, 332,
igr2= 386, 394,
&end
#
# 25 ILE QG2 29 PHE QE 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 330, 331, 332,
igr2= 388, 392,
&end
#
# 25 ILE QG2 57 LEU QD1 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
igr1= 330, 331, 332,
igr2= 854, 855, 856,
&end
#
# 25 ILE QG2 57 LEU QD2 1.80 2.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 330, 331, 332,
igr2= 858, 859, 860,
&end
#
# 26 THR HA 26 THR QG2 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
igr2= 349, 350, 351,
&end
#
# 26 THR HA 28 SER HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 345, 367, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 26 THR HA 29 PHE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 345, 378, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 26 THR HA 29 PHE HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 345, 378, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 26 THR HA 29 PHE QB 1.80 4.85
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 382, 383,
&end
#
# 26 THR HA 35 LEU HG 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= 345, 494, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29, &end
#
# 26 THR HA 35 LEU QD1 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 496, 497, 498,
&end
#
# 26 THR HA 35 LEU QD2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 500, 501, 502,
&end
#
# 26 THR HA 37 VAL QG2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 345, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 532, 533, 534,
&end
#
# 26 THR HB 27 ALA HN 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= 347, 357, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 26 THR HB 27 ALA QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 361, 362, 363,
&end
#
# 26 THR HB 37 VAL QG2 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 347, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 532, 533, 534,
&end
#
# 26 THR HG1 27 ALA HN 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 353, 357, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 26 THR HG1 37 VAL QG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= 353, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr2= 532, 533, 534,
&end
#
# 26 THR HN 26 THR HB 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 26 THR HN 26 THR HG1 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 343, 353, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 26 THR HN 26 THR QG2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2= 349, 350, 351,
&end
#
# 26 THR HN 27 ALA HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 343, 357, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 26 THR HN 37 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 343, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 532, 533, 534,
&end
#
# 26 THR QG2 26 THR HG1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, 353, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 27 ALA HA 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, 359, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 27 ALA HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 357, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 30 ARG+ HA 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, 400, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 30 ARG+ HB2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 402, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 30 ARG+ HB3 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 30 ARG+ HD2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 30 ARG+ HD3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 409, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 30 ARG+ QB 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 349, 350, 351,
igr2= 402, 403,
&end
#
# 26 THR QG2 30 ARG+ QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr1= 349, 350, 351,
igr2= 408, 409,
&end
#
# 26 THR QG2 34 PRO HA 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 483, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 35 LEU HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 35 LEU QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 349, 350, 351,
igr2= 496, 497, 498,
&end
#
# 26 THR QG2 36 VAL HA 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1= 349, 350, 351,
&end
#
# 26 THR QG2 37 VAL HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr1= 349, 350, 351,
&end
#
# 27 ALA HA 29 PHE HN 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 359, 378, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90, &end
#
# 27 ALA HA 29 PHE HN 3.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 359, 378, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50, &end
#
# 27 ALA HA 30 ARG+ HB2 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 359, 402, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 27 ALA HA 30 ARG+ HB3 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= 359, 403, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46, &end
#
# 27 ALA HA 30 ARG+ HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 359, 398, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 27 ALA HA 30 ARG+ QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 408, 409,
&end
#
# 27 ALA HA 30 ARG+ QG 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 359, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 405, 406,
&end
#
# 27 ALA HN 27 ALA QB 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= 357, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr2= 361, 362, 363,
&end
#
# 27 ALA HN 28 SER HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= 357, 367, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 27 ALA QB 28 SER HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 369, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 361, 362, 363,
&end
#
# 27 ALA QB 28 SER HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 361, 362, 363,
&end
#
# 27 ALA QB 29 PHE HN 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 361, 362, 363,
&end
#
# 27 ALA QB 30 ARG+ QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr1= 361, 362, 363,
igr2= 402, 403,
&end
#
# 28 SER HA 30 ARG HN 4.00 100.0
&rst
ixpk= 0, nxpk= 0, iat= 369, 398, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50, &end
#
# 28 SER HA 83 VAL QG1 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 369, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr2=1252,1253,1254,
&end
#
# 28 SER HB2 29 PHE HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 371, 378, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 SER HB2 29 PHE QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 386, 394,
&end
#
# 28 SER HB2 29 PHE QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 388, 392,
&end
#
# 28 SER HB2 83 VAL QG1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 371, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1252,1253,1254,
&end
#
# 28 SER HB3 29 PHE HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= 372, 378, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86, &end
#
# 28 SER HB3 29 PHE QD 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2= 386, 394,
&end
#
# 28 SER HB3 29 PHE QE 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 388, 392,
&end
#
# 28 SER HB3 83 VAL QG1 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= 372, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2=1252,1253,1254,
&end
#
# 28 SER HN 28 SER HB2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 367, 371, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 SER HN 28 SER HB3 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= 367, 372, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24, &end
#
# 28 SER HN 28 SER HG 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 367, 374, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 28 SER HN 28 SER QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= 367, -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
igr2= 371, 372,
&end
#
# 28 SER HN 29 PHE HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= 367, 378, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 28 SER QB 29 PHE HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1, 378, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr1= 371, 372,
&end
#
# 28 SER QB 29 PHE QD 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 371, 372,
igr2= 386, 394,
&end
#
# 28 SER QB 83 VAL QG1 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr1= 371, 372,
igr2=1252,1253,1254,
&end
#
# 29 PHE HA 29 PHE QD 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 386, 394,
&end
#
# 29 PHE HA 32 PHE QD 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 454, 462,
&end
#
# 29 PHE HA 32 PHE QE 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 380, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 456, 460,
&end
#
# 29 PHE HA 59 PHE HZ 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 380, 895, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 29 PHE HB2 30 ARG+ HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 382, 398, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 29 PHE HB2 35 LEU QD1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 496, 497, 498,
&end
#
# 29 PHE HB2 35 LEU QD2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 500, 501, 502,
&end
#
# 29 PHE HB2 57 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 382, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 854, 855, 856,
&end
#
# 29 PHE HB2 59 PHE HZ 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 382, 895, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 29 PHE HB3 30 ARG+ HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 383, 398, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 29 PHE HB3 35 LEU QD1 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 496, 497, 498,
&end
#
# 29 PHE HB3 35 LEU QD2 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 500, 501, 502,
&end
#
# 29 PHE HB3 57 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 383, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 854, 855, 856,
&end
#
# 29 PHE HB3 59 PHE HZ 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 383, 895, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 29 PHE HN 29 PHE HB2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 378, 382, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 PHE HN 29 PHE HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= 378, 383, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 29 PHE HN 29 PHE QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 382, 383,
&end
#
# 29 PHE HN 30 ARG+ HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= 378, 398, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 29 PHE HN 35 LEU QD1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr2= 496, 497, 498,
&end
#
# 29 PHE HN 35 LEU QD2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 378, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 500, 501, 502,
&end
#
# 29 PHE HZ 68 LEU QD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1028,1029,1030,
&end
#
# 29 PHE HZ 81 LEU QD2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1229,1230,1231,
&end
#
# 29 PHE HZ 83 VAL QG1 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2=1252,1253,1254,
&end
#
# 29 PHE HZ 83 VAL QG2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2=1256,1257,1258,
&end
#
# 29 PHE HZ 93 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1411,1412,1413,
&end
#
# 29 PHE HZ 95 ILE QD1 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
igr2=1447,1448,1449,
&end
#
# 29 PHE HZ 95 ILE QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2=1440,1441,1442,
&end
#
# 29 PHE QB 57 LEU QD2 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1= 382, 383,
igr2= 858, 859, 860,
&end
#
# 29 PHE QB 59 PHE HZ 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1= 382, 383,
&end
#
# 29 PHE QB 59 PHE QE 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr1= 382, 383,
igr2= 893, 897,
&end
#
# 29 PHE QD 32 PHE QE 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 386, 394,
igr2= 456, 460,
&end
#
# 29 PHE QD 35 LEU QD1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr1= 386, 394,
igr2= 496, 497, 498,
&end
#
# 29 PHE QD 35 LEU QD2 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr1= 386, 394,
igr2= 500, 501, 502,
&end
#
# 29 PHE QD 57 LEU QD1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1= 386, 394,
igr2= 854, 855, 856,
&end
#
# 29 PHE QD 57 LEU QD2 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 386, 394,
igr2= 858, 859, 860,
&end
#
# 29 PHE QD 68 LEU QD1 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 386, 394,
igr2=1024,1025,1026,
&end
#
# 29 PHE QD 68 LEU QD2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1= 386, 394,
igr2=1028,1029,1030,
&end
#
# 29 PHE QD 81 LEU QD2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 386, 394,
igr2=1229,1230,1231,
&end
#
# 29 PHE QE 57 LEU QD1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 388, 392,
igr2= 854, 855, 856,
&end
#
# 29 PHE QE 57 LEU QD2 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1= 388, 392,
igr2= 858, 859, 860,
&end
#
# 29 PHE QE 68 LEU QD1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr1= 388, 392,
igr2=1024,1025,1026,
&end
#
# 29 PHE QE 68 LEU QD2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1= 388, 392,
igr2=1028,1029,1030,
&end
#
# 29 PHE QE 81 LEU QB 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1= 388, 392,
igr2=1220,1221,
&end
#
# 29 PHE QE 81 LEU QD1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 388, 392,
igr2=1225,1226,1227,
&end
#
# 29 PHE QE 81 LEU QD2 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 388, 392,
igr2=1229,1230,1231,
&end
#
# 29 PHE QE 83 VAL QG1 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 388, 392,
igr2=1252,1253,1254,
&end
#
# 29 PHE QE 83 VAL QG2 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
igr1= 388, 392,
igr2=1256,1257,1258,
&end
#
# 29 PHE QE 93 VAL QG2 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 388, 392,
igr2=1411,1412,1413,
&end
#
# 29 PHE QE 95 ILE QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1= 388, 392,
igr2=1447,1448,1449,
&end
#
# 29 PHE QE 95 ILE QG1 1.80 5.27
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
igr1= 388, 392,
igr2=1444,1445,
&end
#
# 29 PHE QE 95 ILE QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr1= 388, 392,
igr2=1440,1441,1442,
&end
#
# 30 ARG+ HA 30 ARG+ HD2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 400, 408, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 30 ARG+ HA 30 ARG+ HD3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 400, 409, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 30 ARG+ HA 30 ARG+ QD 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 408, 409,
&end
#
# 30 ARG+ HA 33 GLY HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 400, 466, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 30 ARG+ HA 35 LEU QD1 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 496, 497, 498,
&end
#
# 30 ARG+ HA 35 LEU QD2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ HB2 35 LEU QD2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 402, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ HB3 35 LEU QD2 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 403, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ HD2 34 PRO HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 408, 483, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ARG+ HD2 35 LEU HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 408, 487, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 ARG+ HD2 35 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 408, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ HD3 34 PRO HA 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 409, 483, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 30 ARG+ HD3 35 LEU HN 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat= 409, 487, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14, &end
#
# 30 ARG+ HD3 35 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 409, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ HN 30 ARG+ HB2 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 398, 402, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 ARG+ HN 30 ARG+ HB3 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 398, 403, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 30 ARG+ HN 30 ARG+ HG2 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 398, 405, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 ARG+ HN 30 ARG+ HG3 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 398, 406, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 30 ARG+ HN 30 ARG+ QB 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
igr2= 402, 403,
&end
#
# 30 ARG+ HN 30 ARG+ QG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2= 405, 406,
&end
#
# 30 ARG+ HN 35 LEU QD2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ QB 30 ARG+ QD 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr1= 402, 403,
igr2= 408, 409,
&end
#
# 30 ARG+ QB 35 LEU QD2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 402, 403,
igr2= 500, 501, 502,
&end
#
# 30 ARG+ QD 35 LEU QD2 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr1= 408, 409,
igr2= 500, 501, 502,
&end
#
# 31 ARG+ HA 31 ARG+ QD 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= 424, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 432, 433,
&end
#
# 31 ARG+ HB2 31 ARG+ QD 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 426, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 432, 433,
&end
#
# 31 ARG+ HB3 31 ARG+ QD 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 427, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2= 432, 433,
&end
#
# 31 ARG+ HG2 32 PHE HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 429, 446, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 31 ARG+ HG3 32 PHE HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 430, 446, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 31 ARG+ HN 31 ARG+ HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 422, 426, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 31 ARG+ HN 31 ARG+ HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 422, 427, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 31 ARG+ HN 31 ARG+ HG2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 422, 429, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 31 ARG+ HN 31 ARG+ HG3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= 422, 430, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62, &end
#
# 31 ARG+ HN 31 ARG+ QD 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 432, 433,
&end
#
# 31 ARG+ HN 31 ARG+ QG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 422, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 429, 430,
&end
#
# 31 ARG+ HN 32 PHE HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 422, 446, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 31 ARG+ QD 32 PHE HZ 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1, 458, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 432, 433,
&end
#
# 31 ARG+ QD 32 PHE QD 1.80 4.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr1= 432, 433,
igr2= 454, 462,
&end
#
# 31 ARG+ QD 32 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 432, 433,
igr2= 456, 460,
&end
#
# 31 ARG+ QG 32 PHE QD 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
igr1= 429, 430,
igr2= 454, 462,
&end
#
# 31 ARG+ QG 32 PHE QE 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr1= 429, 430,
igr2= 456, 460,
&end
#
# 32 PHE HA 32 PHE QD 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2= 454, 462,
&end
#
# 32 PHE HA 32 PHE QE 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 456, 460,
&end
#
# 32 PHE HA 67 ALA QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 448, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2=1009,1010,1011,
&end
#
# 32 PHE HB2 33 GLY HN 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 450, 466, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 32 PHE HB2 59 PHE HZ 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat= 450, 895, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 32 PHE HB2 59 PHE QE 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 893, 897,
&end
#
# 32 PHE HB2 64 SER HA 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 450, 963, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 32 PHE HB2 67 ALA QB 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 450, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1009,1010,1011,
&end
#
# 32 PHE HB3 33 GLY HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= 451, 466, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 32 PHE HB3 59 PHE QD 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 891, 899,
&end
#
# 32 PHE HB3 59 PHE QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 893, 897,
&end
#
# 32 PHE HB3 64 SER HA 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 451, 963, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40, &end
#
# 32 PHE HB3 67 ALA QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 451, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr2=1009,1010,1011,
&end
#
# 32 PHE HB3 68 LEU HN 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 451,1015, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27, &end
#
# 32 PHE HN 32 PHE HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 32 PHE HN 32 PHE HB3 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 446, 451, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 32 PHE HN 32 PHE QD 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 454, 462,
&end
#
# 32 PHE HN 59 PHE QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 446, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 893, 897,
&end
#
# 32 PHE HZ 68 LEU HA 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= 458,1017, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 32 PHE HZ 71 ALA QB 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1069,1070,1071,
&end
#
# 32 PHE HZ 81 LEU QD1 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1225,1226,1227,
&end
#
# 32 PHE HZ 81 LEU QD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 458, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1229,1230,1231,
&end
#
# 32 PHE QD 59 PHE HZ 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 454, 462,
&end
#
# 32 PHE QD 67 ALA QB 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr1= 454, 462,
igr2=1009,1010,1011,
&end
#
# 32 PHE QD 68 LEU HA 1.80 5.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 454, 462,
&end
#
# 32 PHE QE 67 ALA QB 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 456, 460,
igr2=1009,1010,1011,
&end
#
# 32 PHE QE 68 LEU HA 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 456, 460,
&end
#
# 32 PHE QE 68 LEU QD1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1= 456, 460,
igr2=1024,1025,1026,
&end
#
# 32 PHE QE 71 ALA QB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 456, 460,
igr2=1069,1070,1071,
&end
#
# 32 PHE QE 81 LEU QD1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 456, 460,
igr2=1225,1226,1227,
&end
#
# 32 PHE QE 81 LEU QD2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 456, 460,
igr2=1229,1230,1231,
&end
#
# 33 GLY HA2 34 PRO HD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 468, 474, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 33 GLY HA2 34 PRO HD3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 468, 475, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 33 GLY HA3 34 PRO HD2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 469, 474, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 33 GLY HA3 34 PRO HD3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= 469, 475, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 33 GLY HN 35 LEU QD2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2= 500, 501, 502,
&end
#
# 33 GLY HN 59 PHE QD 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 891, 899,
&end
#
# 33 GLY HN 59 PHE QE 1.80 5.05
&rst
ixpk= 0, nxpk= 0, iat= 466, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr2= 893, 897,
&end
#
# 33 GLY QA 34 PRO QD 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr1= 468, 469,
igr2= 474, 475,
&end
#
# 33 GLY QA 34 PRO QG 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr1= 468, 469,
igr2= 477, 478,
&end
#
# 34 PRO HA 34 PRO QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 477, 478,
&end
#
# 34 PRO HA 35 LEU HN 1.80 2.86
&rst
ixpk= 0, nxpk= 0, iat= 483, 487, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36, &end
#
# 34 PRO HA 35 LEU QD2 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 483, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 500, 501, 502,
&end
#
# 34 PRO HB2 35 LEU HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 480, 487, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 34 PRO HB3 35 LEU HN 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 481, 487, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53, &end
#
# 34 PRO QB 35 LEU HN 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr1= 480, 481,
&end
#
# 34 PRO QD 34 PRO QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 474, 475,
igr2= 480, 481,
&end
#
# 34 PRO QD 34 PRO QG 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1= 474, 475,
igr2= 477, 478,
&end
#
# 34 PRO QG 35 LEU HN 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 487, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 477, 478,
&end
#
# 35 LEU HA 35 LEU HG 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 489, 494, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 35 LEU HA 35 LEU QD1 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 496, 497, 498,
&end
#
# 35 LEU HA 35 LEU QD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 500, 501, 502,
&end
#
# 35 LEU HA 36 VAL HN 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 489, 506, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 35 LEU HA 36 VAL QG1 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2= 512, 513, 514,
&end
#
# 35 LEU HA 59 PHE HA 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 489, 885, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19, &end
#
# 35 LEU HA 59 PHE QD 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat= 489, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 891, 899,
&end
#
# 35 LEU HB2 35 LEU QD1 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 496, 497, 498,
&end
#
# 35 LEU HB2 35 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 500, 501, 502,
&end
#
# 35 LEU HB2 36 VAL HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 491, 506, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 35 LEU HB2 58 LEU HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 491, 864, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 35 LEU HB2 59 PHE QD 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
igr2= 891, 899,
&end
#
# 35 LEU HB2 59 PHE QE 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= 491, -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
igr2= 893, 897,
&end
#
# 35 LEU HB2 60 GLN HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= 491, 903, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 35 LEU HB3 35 LEU QD1 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2= 496, 497, 498,
&end
#
# 35 LEU HB3 35 LEU QD2 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 500, 501, 502,
&end
#
# 35 LEU HB3 36 VAL HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 492, 506, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 35 LEU HB3 59 PHE QD 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 891, 899,
&end
#
# 35 LEU HB3 59 PHE QE 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 492, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 893, 897,
&end
#
# 35 LEU HB3 60 GLN HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 492, 903, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 35 LEU HG 36 VAL HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 494, 508, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 35 LEU HG 36 VAL HN 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 494, 506, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 35 LEU HG 37 VAL HN 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= 494, 522, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87, &end
#
# 35 LEU HG 59 PHE QD 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 494, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 891, 899,
&end
#
# 35 LEU HN 35 LEU HG 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 487, 494, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 35 LEU HN 35 LEU QD1 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 496, 497, 498,
&end
#
# 35 LEU HN 35 LEU QD2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 487, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 500, 501, 502,
&end
#
# 35 LEU QD1 36 VAL HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, 508, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 36 VAL HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 37 VAL QG2 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr1= 496, 497, 498,
igr2= 532, 533, 534,
&end
#
# 35 LEU QD1 57 LEU HA 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 847, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 57 LEU HB2 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, 849, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 57 LEU HB3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= -1, 850, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 57 LEU QD1 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1= 496, 497, 498,
igr2= 854, 855, 856,
&end
#
# 35 LEU QD1 57 LEU QD2 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 496, 497, 498,
igr2= 858, 859, 860,
&end
#
# 35 LEU QD1 58 LEU HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 496, 497, 498,
&end
#
# 35 LEU QD1 59 PHE QE 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 496, 497, 498,
igr2= 893, 897,
&end
#
# 35 LEU QD2 36 VAL HN 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat= -1, 506, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
igr1= 500, 501, 502,
&end
#
# 35 LEU QD2 59 PHE QD 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 500, 501, 502,
igr2= 891, 899,
&end
#
# 35 LEU QD2 59 PHE QE 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
igr1= 500, 501, 502,
igr2= 893, 897,
&end
#
# 36 VAL HA 36 VAL QG1 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr2= 512, 513, 514,
&end
#
# 36 VAL HA 36 VAL QG2 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
igr2= 516, 517, 518,
&end
#
# 36 VAL HA 37 VAL HN 1.80 2.99
&rst
ixpk= 0, nxpk= 0, iat= 508, 522, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49, &end
#
# 36 VAL HA 37 VAL QG2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 508, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 532, 533, 534,
&end
#
# 36 VAL HB 37 VAL HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= 510, 522, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 36 VAL HB 58 LEU QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 868, 869,
&end
#
# 36 VAL HB 58 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= 510, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 873, 874, 875,
&end
#
# 36 VAL HN 36 VAL HB 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= 506, 510, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 36 VAL HN 36 VAL QG1 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 512, 513, 514,
&end
#
# 36 VAL HN 36 VAL QG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 516, 517, 518,
&end
#
# 36 VAL HN 58 LEU HN 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat= 506, 864, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 36 VAL HN 58 LEU QB 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 506, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr2= 868, 869,
&end
#
# 36 VAL QG1 37 VAL HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1= 512, 513, 514,
&end
#
# 36 VAL QG1 38 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 512, 513, 514,
&end
#
# 36 VAL QG1 58 LEU HG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= -1, 871, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1= 512, 513, 514,
&end
#
# 36 VAL QG1 58 LEU HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1= 512, 513, 514,
&end
#
# 36 VAL QG1 58 LEU QB 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1= 512, 513, 514,
igr2= 868, 869,
&end
#
# 36 VAL QG2 37 VAL HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 516, 517, 518,
&end
#
# 36 VAL QG2 38 ASP- HN 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1= 516, 517, 518,
&end
#
# 36 VAL QG2 58 LEU QB 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr1= 516, 517, 518,
igr2= 868, 869,
&end
#
# 37 VAL HB 38 ASP- HN 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 526, 538, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 37 VAL HN 37 VAL HB 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat= 522, 526, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 37 VAL HN 37 VAL QG1 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 528, 529, 530,
&end
#
# 37 VAL HN 37 VAL QG2 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 522, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 532, 533, 534,
&end
#
# 37 VAL QG1 38 ASP- HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1= 528, 529, 530,
&end
#
# 37 VAL QG1 39 TRP HE3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr1= 528, 529, 530,
&end
#
# 37 VAL QG1 39 TRP HZ3 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, 567, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1= 528, 529, 530,
&end
#
# 37 VAL QG1 55 ALA QB 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 528, 529, 530,
igr2= 819, 820, 821,
&end
#
# 37 VAL QG1 57 LEU QD2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 528, 529, 530,
igr2= 858, 859, 860,
&end
#
# 37 VAL QG2 38 ASP- HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, 538, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 532, 533, 534,
&end
#
# 37 VAL QG2 39 TRP HE3 1.80 5.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 569, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
igr1= 532, 533, 534,
&end
#
# 37 VAL QG2 57 LEU QD2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 532, 533, 534,
igr2= 858, 859, 860,
&end
#
# 38 ASP- HA 39 TRP HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 540, 550, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 38 ASP- HB2 39 TRP HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 542, 550, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 38 ASP- HB3 39 TRP HN 1.80 4.70
&rst
ixpk= 0, nxpk= 0, iat= 543, 550, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20, &end
#
# 38 ASP- HN 38 ASP- HB2 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 538, 542, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 38 ASP- HN 38 ASP- HB3 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= 538, 543, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61, &end
#
# 38 ASP HN 56 PHE HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 538, 825, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 38 ASP- HN 57 LEU HA 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 538, 847, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 38 ASP- HN 57 LEU QD2 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 538, -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
igr2= 858, 859, 860,
&end
#
# 38 ASP- QB 39 TRP HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, 550, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr1= 542, 543,
&end
#
# 38 ASP- QB 56 PHE QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 542, 543,
igr2= 829, 830,
&end
#
# 38 ASP- QB 58 LEU QD1 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr1= 542, 543,
igr2= 873, 874, 875,
&end
#
# 39 TRP HA 40 PRO HD2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 552, 575, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 39 TRP HA 40 PRO HD3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 552, 576, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 39 TRP HA 55 ALA HA 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 552, 817, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 39 TRP HA 56 PHE HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= 552, 825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 39 TRP HB2 55 ALA HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 554, 817, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 39 TRP HB2 55 ALA QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 554, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 819, 820, 821,
&end
#
# 39 TRP HB3 55 ALA HA 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= 555, 817, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 39 TRP HB3 55 ALA QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 555, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 819, 820, 821,
&end
#
# 39 TRP HD1 40 PRO QD 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= 558, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr2= 575, 576,
&end
#
# 39 TRP HD1 42 LYS+ HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= 558, 607, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 39 TRP HD1 42 LYS+ HN 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 558, 605, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07, &end
#
# 39 TRP HD1 51 PRO HD2 1.80 4.99
&rst
ixpk= 0, nxpk= 0, iat= 558, 752, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49, &end
#
# 39 TRP HD1 51 PRO HD3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 558, 753, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 39 TRP HE1 42 LYS+ HA 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 560, 607, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 39 TRP HE1 51 PRO HD2 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= 560, 752, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64, &end
#
# 39 TRP HE1 51 PRO HD3 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 560, 753, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 39 TRP HE3 42 LYS+ QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 618, 619,
&end
#
# 39 TRP HE3 55 ALA HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 569, 817, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 39 TRP HE3 55 ALA QB 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 569, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 819, 820, 821,
&end
#
# 39 TRP HH2 42 LYS+ HE2 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 565, 618, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 TRP HH2 42 LYS+ HE3 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= 565, 619, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40, &end
#
# 39 TRP HH2 42 LYS+ QE 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= 565, -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
igr2= 618, 619,
&end
#
# 39 TRP HN 42 LYS+ HB2 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 550, 609, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 39 TRP HN 42 LYS+ HB3 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 550, 610, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 39 TRP HN 42 LYS+ QB 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 609, 610,
&end
#
# 39 TRP HN 42 LYS+ QD 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 550, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 615, 616,
&end
#
# 39 TRP HZ2 42 LYS+ QE 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 618, 619,
&end
#
# 39 TRP HZ2 42 LYS+ QG 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat= 563, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 612, 613,
&end
#
# 39 TRP HZ3 55 ALA QB 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 567, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 819, 820, 821,
&end
#
# 39 TRP QB 40 PRO QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1= 554, 555,
igr2= 575, 576,
&end
#
# 39 TRP QB 54 TYR QD 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 554, 555,
igr2= 802, 811,
&end
#
# 39 TRP QB 55 ALA HA 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr1= 554, 555,
&end
#
# 39 TRP QB 55 ALA HN 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1= 554, 555,
&end
#
# 39 TRP QB 55 ALA QB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1= 554, 555,
igr2= 819, 820, 821,
&end
#
# 40 PRO HA 41 HIS HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 40 PRO HB2 41 HIS HD2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 581, 601, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 40 PRO HB3 41 HIS HD2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 582, 601, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 40 PRO HD2 54 TYR QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 804, 809,
&end
#
# 40 PRO HD2 56 PHE QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 575, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 833, 841,
&end
#
# 40 PRO HD3 54 TYR QE 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2= 804, 809,
&end
#
# 40 PRO HD3 56 PHE QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 576, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 833, 841,
&end
#
# 40 PRO QB 41 HIS HD2 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, 601, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 581, 582,
&end
#
# 40 PRO QB 54 TYR QE 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 581, 582,
igr2= 804, 809,
&end
#
# 40 PRO QD 40 PRO QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1= 575, 576,
igr2= 578, 579,
&end
#
# 40 PRO QD 54 TYR QD 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
igr1= 575, 576,
igr2= 802, 811,
&end
#
# 40 PRO QD 54 TYR QE 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1= 575, 576,
igr2= 804, 809,
&end
#
# 40 PRO QD 56 PHE QD 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
igr1= 575, 576,
igr2= 833, 841,
&end
#
# 40 PRO QD 56 PHE QE 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 575, 576,
igr2= 835, 839,
&end
#
# 40 PRO QG 54 TYR QE 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr1= 578, 579,
igr2= 804, 809,
&end
#
# 41 HIS HA 41 HIS HN 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 590, 588, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 41 HIS HA 44 GLU- HN 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 590, 637, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01, &end
#
# 41 HIS HA 44 GLU- QB 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 590, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 641, 642,
&end
#
# 41 HIS HN 42 LYS+ HN 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= 588, 605, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, &end
#
# 42 LYS+ HA 42 LYS+ HG2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 607, 612, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 42 LYS+ HA 42 LYS+ HG3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 607, 613, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 42 LYS+ HA 42 LYS+ QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 612, 613,
&end
#
# 42 LYS+ HA 45 SER QB 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= 607, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 656, 657,
&end
#
# 42 LYS+ HN 42 LYS+ HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 605, 609, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 LYS+ HN 42 LYS+ HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 605, 610, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 42 LYS+ HN 42 LYS+ QB 1.80 3.33
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 609, 610,
&end
#
# 42 LYS+ HN 42 LYS+ QG 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 612, 613,
&end
#
# 42 LYS+ HN 43 ALA HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat= 605, 627, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 42 LYS+ HN 43 ALA QB 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 605, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2= 631, 632, 633,
&end
#
# 43 ALA HN 43 ALA QB 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= 627, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 631, 632, 633,
&end
#
# 43 ALA HN 44 GLU- HN 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= 627, 637, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 43 ALA QB 44 GLU- HA 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat= -1, 639, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr1= 631, 632, 633,
&end
#
# 43 ALA QB 44 GLU- HG2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 644, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 631, 632, 633,
&end
#
# 43 ALA QB 44 GLU- HG3 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat= -1, 645, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 631, 632, 633,
&end
#
# 43 ALA QB 44 GLU- HN 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= -1, 637, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1= 631, 632, 633,
&end
#
# 43 ALA QB 44 GLU- QG 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 631, 632, 633,
igr2= 644, 645,
&end
#
# 44 GLU- HA 44 GLU- HG2 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 639, 644, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 44 GLU- HA 44 GLU- HG3 1.80 3.67
&rst
ixpk= 0, nxpk= 0, iat= 639, 645, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17, &end
#
# 44 GLU- HA 44 GLU- QG 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 639, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 644, 645,
&end
#
# 44 GLU- HB2 45 SER HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 641, 652, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 44 GLU- HB3 45 SER HN 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 642, 652, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 44 GLU- HN 44 GLU- HB2 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 637, 641, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 44 GLU- HN 44 GLU- HB3 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= 637, 642, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31, &end
#
# 44 GLU- HN 44 GLU- HG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 637, 644, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 44 GLU- HN 44 GLU- HG3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= 637, 645, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 44 GLU- HN 44 GLU- QB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 641, 642,
&end
#
# 44 GLU- HN 44 GLU- QG 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= 637, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 644, 645,
&end
#
# 45 SER HA 45 SER QB 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat= 654, -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
igr2= 656, 657,
&end
#
# 45 SER HN 45 SER QB 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 652, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr2= 656, 657,
&end
#
# 46 LYS+ HA 46 LYS+ QD 1.80 4.03
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr2= 673, 674,
&end
#
# 46 LYS+ HA 46 LYS+ QG 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 665, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 670, 671,
&end
#
# 46 LYS+ HB2 46 LYS+ QD 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 667, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 673, 674,
&end
#
# 46 LYS+ HB3 46 LYS+ QD 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 668, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2= 673, 674,
&end
#
# 46 LYS HN 46 LYS HA 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 663, 665, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 46 LYS+ QB 46 LYS+ QD 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr1= 667, 668,
igr2= 673, 674,
&end
#
# 47 SER HA 48 TYR QD 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= 687, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 704, 713,
&end
#
# 47 SER HA 49 PHE HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 687, 717, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 47 SER HB2 49 PHE HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 689, 717, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 47 SER HB3 49 PHE HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 690, 717, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 47 SER HN 47 SER HA 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 685, 687, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 47 SER HN 47 SER HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 685, 689, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 47 SER HN 47 SER HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= 685, 690, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 47 SER HN 47 SER QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= 685, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2= 689, 690,
&end
#
# 48 TYR HN 48 TYR HA 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat= 696, 698, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 48 TYR HN 48 TYR QD 1.80 4.78
&rst
ixpk= 0, nxpk= 0, iat= 696, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 704, 713,
&end
#
# 48 TYR HN 49 PHE HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= 696, 717, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74, &end
#
# 48 TYR QD 49 PHE HA 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat= -1, 719, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1= 704, 713,
&end
#
# 49 PHE HA 49 PHE QD 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= 719, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr2= 725, 733,
&end
#
# 49 PHE HA 50 PRO HD2 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 719, 738, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 49 PHE HA 50 PRO HD3 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 719, 739, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 49 PHE HN 49 PHE QB 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr2= 721, 722,
&end
#
# 49 PHE HN 49 PHE QD 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 717, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 725, 733,
&end
#
# 49 PHE QB 50 PRO QD 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1= 721, 722,
igr2= 738, 739,
&end
#
# 49 PHE QD 50 PRO QD 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
igr1= 725, 733,
igr2= 738, 739,
&end
#
# 50 PRO HA 51 PRO HD2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 747, 752, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 50 PRO HA 51 PRO HD3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 747, 753, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 50 PRO HD2 50 PRO HG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 738, 741, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 PRO HD2 50 PRO HG3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 738, 742, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 PRO HD2 50 PRO QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 738, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 744, 745,
&end
#
# 50 PRO HD3 50 PRO HG2 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 739, 741, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 PRO HD3 50 PRO HG3 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat= 739, 742, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 50 PRO HD3 50 PRO QB 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= 739, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 744, 745,
&end
#
# 50 PRO QB 51 PRO HD2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, 752, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 744, 745,
&end
#
# 50 PRO QB 51 PRO HD3 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, 753, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr1= 744, 745,
&end
#
# 50 PRO QB 53 GLY HN 1.80 4.90
&rst
ixpk= 0, nxpk= 0, iat= -1, 787, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 744, 745,
&end
#
# 50 PRO QB 54 TYR HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 794, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 744, 745,
&end
#
# 50 PRO QD 50 PRO QB 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr1= 738, 739,
igr2= 744, 745,
&end
#
# 50 PRO QD 50 PRO QG 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1= 738, 739,
igr2= 741, 742,
&end
#
# 51 PRO HA 52 LYS HN 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 761, 765, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 51 PRO HD2 51 PRO HB2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 752, 758, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 51 PRO HD2 51 PRO HB3 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 752, 759, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08, &end
#
# 51 PRO HD2 51 PRO HG2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 752, 755, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 51 PRO HD2 51 PRO HG3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 752, 756, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 51 PRO HD2 51 PRO QG 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 752, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 755, 756,
&end
#
# 51 PRO HD2 53 GLY HN 1.80 5.45
&rst
ixpk= 0, nxpk= 0, iat= 752, 787, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95, &end
#
# 51 PRO HD3 51 PRO HG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 753, 755, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 51 PRO HD3 51 PRO HG3 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 753, 756, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36, &end
#
# 51 PRO HD3 51 PRO QB 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 753, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2= 758, 759,
&end
#
# 52 LYS+ HA 52 LYS+ HD2 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 767, 775, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 52 LYS+ HA 52 LYS+ HD3 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= 767, 776, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19, &end
#
# 52 LYS+ HA 52 LYS+ QD 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 775, 776,
&end
#
# 52 LYS+ HA 52 LYS+ QE 1.80 5.11
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 778, 779,
&end
#
# 52 LYS+ HA 52 LYS+ QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= 767, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 772, 773,
&end
#
# 52 LYS+ HB2 54 TYR QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 769, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 802, 811,
&end
#
# 52 LYS+ HB3 54 TYR QD 1.80 4.77
&rst
ixpk= 0, nxpk= 0, iat= 770, -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
igr2= 802, 811,
&end
#
# 52 LYS+ HD2 54 TYR QE 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 775, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 804, 809,
&end
#
# 52 LYS+ HD3 54 TYR QE 1.80 5.36
&rst
ixpk= 0, nxpk= 0, iat= 776, -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
igr2= 804, 809,
&end
#
# 52 LYS+ HN 52 LYS+ HG2 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 765, 772, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 52 LYS+ HN 52 LYS+ HG3 1.80 4.81
&rst
ixpk= 0, nxpk= 0, iat= 765, 773, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31, &end
#
# 52 LYS+ HN 52 LYS+ QG 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 765, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2= 772, 773,
&end
#
# 52 LYS+ QB 54 TYR QD 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1= 769, 770,
igr2= 802, 811,
&end
#
# 52 LYS+ QB 54 TYR QE 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1= 769, 770,
igr2= 804, 809,
&end
#
# 52 LYS+ QD 54 TYR QE 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
igr1= 775, 776,
igr2= 804, 809,
&end
#
# 52 LYS+ QE 54 TYR QE 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 778, 779,
igr2= 804, 809,
&end
#
# 52 LYS+ QG 54 TYR QE 1.80 5.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
igr1= 772, 773,
igr2= 804, 809,
&end
#
# 53 GLY HN 54 TYR HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= 787, 794, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 54 TYR HA 54 TYR QD 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 802, 811,
&end
#
# 54 TYR HA 55 ALA HN 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= 796, 815, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 54 TYR HA 55 ALA QB 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat= 796, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2= 819, 820, 821,
&end
#
# 54 TYR HB2 55 ALA HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 798, 815, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 54 TYR HB3 55 ALA HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= 799, 815, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 54 TYR HN 54 TYR QD 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= 794, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 802, 811,
&end
#
# 54 TYR QB 55 ALA HN 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr1= 798, 799,
&end
#
# 54 TYR QD 55 ALA HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, 817, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 802, 811,
&end
#
# 54 TYR QD 55 ALA HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, 815, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 802, 811,
&end
#
# 55 ALA HN 55 ALA QB 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 815, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 819, 820, 821,
&end
#
# 55 ALA QB 56 PHE HA 1.80 5.37
&rst
ixpk= 0, nxpk= 0, iat= -1, 827, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 819, 820, 821,
&end
#
# 55 ALA QB 56 PHE HN 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, 825, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1= 819, 820, 821,
&end
#
# 55 ALA QB 56 PHE QB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr1= 819, 820, 821,
igr2= 829, 830,
&end
#
# 55 ALA QB 57 LEU QD2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 819, 820, 821,
igr2= 858, 859, 860,
&end
#
# 56 PHE HA 56 PHE QD 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= 827, -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr2= 833, 841,
&end
#
# 56 PHE HA 57 LEU HG 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 827, 852, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 56 PHE HA 57 LEU HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat= 827, 845, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 56 PHE HN 56 PHE QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 829, 830,
&end
#
# 56 PHE HN 56 PHE QD 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 833, 841,
&end
#
# 56 PHE HN 57 LEU QD2 1.80 5.23
&rst
ixpk= 0, nxpk= 0, iat= 825, -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
igr2= 858, 859, 860,
&end
#
# 56 PHE QB 57 LEU HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat= -1, 845, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
igr1= 829, 830,
&end
#
# 56 PHE QB 58 LEU QD2 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1= 829, 830,
igr2= 877, 878, 879,
&end
#
# 56 PHE QD 58 LEU QD2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1= 833, 841,
igr2= 877, 878, 879,
&end
#
# 57 LEU HA 57 LEU QD1 1.80 4.47
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
igr2= 854, 855, 856,
&end
#
# 57 LEU HA 57 LEU QD2 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 858, 859, 860,
&end
#
# 57 LEU HA 58 LEU HG 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat= 847, 871, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 57 LEU HA 58 LEU HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat= 847, 864, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 57 LEU HA 58 LEU QB 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 868, 869,
&end
#
# 57 LEU HA 58 LEU QD2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 847, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 877, 878, 879,
&end
#
# 57 LEU HB2 57 LEU QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2= 854, 855, 856,
&end
#
# 57 LEU HB2 57 LEU QD2 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 858, 859, 860,
&end
#
# 57 LEU HB2 59 PHE QE 1.80 4.40
&rst
ixpk= 0, nxpk= 0, iat= 849, -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
igr2= 893, 897,
&end
#
# 57 LEU HB3 57 LEU QD1 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 854, 855, 856,
&end
#
# 57 LEU HB3 57 LEU QD2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 858, 859, 860,
&end
#
# 57 LEU HB3 58 LEU HN 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat= 850, 864, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16, &end
#
# 57 LEU HB3 59 PHE QE 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 850, -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr2= 893, 897,
&end
#
# 57 LEU HN 57 LEU HB2 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 57 LEU HN 57 LEU HG 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 845, 852, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 57 LEU HN 57 LEU QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 854, 855, 856,
&end
#
# 57 LEU HN 57 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 845, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2= 858, 859, 860,
&end
#
# 57 LEU QD1 59 PHE HZ 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, 895, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1= 854, 855, 856,
&end
#
# 57 LEU QD1 59 PHE QE 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr1= 854, 855, 856,
igr2= 893, 897,
&end
#
# 57 LEU QD1 68 LEU QD1 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
igr1= 854, 855, 856,
igr2=1024,1025,1026,
&end
#
# 57 LEU QD1 68 LEU QD2 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1= 854, 855, 856,
igr2=1028,1029,1030,
&end
#
# 57 LEU QD1 95 ILE QD1 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 854, 855, 856,
igr2=1447,1448,1449,
&end
#
# 57 LEU QD2 58 LEU HN 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, 864, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1= 858, 859, 860,
&end
#
# 58 LEU HA 58 LEU HG 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= 866, 871, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 58 LEU HA 58 LEU QD2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 877, 878, 879,
&end
#
# 58 LEU HA 59 PHE HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 866, 883, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 58 LEU HA 59 PHE QD 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= 866, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 891, 899,
&end
#
# 58 LEU HN 58 LEU HG 1.80 3.94
&rst
ixpk= 0, nxpk= 0, iat= 864, 871, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44, &end
#
# 58 LEU HN 58 LEU QB 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 868, 869,
&end
#
# 58 LEU HN 58 LEU QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 873, 874, 875,
&end
#
# 58 LEU HN 58 LEU QD2 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= 864, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 877, 878, 879,
&end
#
# 58 LEU QB 58 LEU QD1 1.80 3.03
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr1= 868, 869,
igr2= 873, 874, 875,
&end
#
# 58 LEU QB 58 LEU QD2 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1= 868, 869,
igr2= 877, 878, 879,
&end
#
# 58 LEU QB 59 PHE HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 868, 869,
&end
#
# 58 LEU QD2 59 PHE HN 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= -1, 883, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 877, 878, 879,
&end
#
# 59 PHE HA 60 GLN HN 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= 885, 903, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 59 PHE HB2 60 GLN HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 887, 903, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 59 PHE HB2 61 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 887, 920, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 59 PHE HB2 65 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 887, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 982, 983, 984,
&end
#
# 59 PHE HB3 60 GLN HN 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat= 888, 903, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 59 PHE HB3 61 GLU- HN 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= 888, 920, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 59 PHE HB3 65 VAL QG2 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 888, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 982, 983, 984,
&end
#
# 59 PHE HN 59 PHE HB2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 883, 887, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 59 PHE HN 59 PHE HB3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 883, 888, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 59 PHE HN 59 PHE QB 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 887, 888,
&end
#
# 59 PHE HN 59 PHE QD 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 891, 899,
&end
#
# 59 PHE HN 65 VAL QG2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= 883, -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr2= 982, 983, 984,
&end
#
# 59 PHE HZ 68 LEU QD1 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1024,1025,1026,
&end
#
# 59 PHE HZ 68 LEU QD2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= 895, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1028,1029,1030,
&end
#
# 59 PHE QB 60 GLN HN 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr1= 887, 888,
&end
#
# 59 PHE QB 61 GLU- HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1= 887, 888,
&end
#
# 59 PHE QB 64 SER QB 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
igr1= 887, 888,
igr2= 965, 966,
&end
#
# 59 PHE QD 60 GLN HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, 903, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1= 891, 899,
&end
#
# 59 PHE QD 61 GLU- HN 1.80 4.73
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr1= 891, 899,
&end
#
# 59 PHE QD 64 SER HB2 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 965, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 891, 899,
&end
#
# 59 PHE QD 64 SER HB3 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1, 966, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1= 891, 899,
&end
#
# 59 PHE QD 65 VAL QG2 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1= 891, 899,
igr2= 982, 983, 984,
&end
#
# 59 PHE QE 65 VAL HA 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1, 974, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1= 893, 897,
&end
#
# 59 PHE QE 65 VAL QG1 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr1= 893, 897,
igr2= 978, 979, 980,
&end
#
# 59 PHE QE 68 LEU QB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr1= 893, 897,
igr2=1019,1020,
&end
#
# 59 PHE QE 68 LEU QD1 1.80 5.46
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
igr1= 893, 897,
igr2=1024,1025,1026,
&end
#
# 59 PHE QE 68 LEU QD2 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 893, 897,
igr2=1028,1029,1030,
&end
#
# 60 GLN HA 60 GLN QG 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat= 905, -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
igr2= 910, 911,
&end
#
# 60 GLN HB2 61 GLU- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 907, 920, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 60 GLN HB3 61 GLU- HN 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= 908, 920, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59, &end
#
# 60 GLN HN 60 GLN HB2 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 903, 907, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 60 GLN HN 60 GLN HB3 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat= 903, 908, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 60 GLN HN 60 GLN QB 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
igr2= 907, 908,
&end
#
# 60 GLN HN 60 GLN QG 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= 903, -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
igr2= 910, 911,
&end
#
# 60 GLN HN 61 GLU- HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 903, 920, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 60 GLN QG 60 GLN HE21 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 915, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 910, 911,
&end
#
# 60 GLN QG 60 GLN HE22 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1, 916, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr1= 910, 911,
&end
#
# 60 GLN QG 60 GLN QE2 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr1= 910, 911,
igr2= 915, 916,
&end
#
# 60 GLN QG 61 GLU- HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, 920, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr1= 910, 911,
&end
#
# 61 GLU- HA 62 GLU- HN 1.80 3.08
&rst
ixpk= 0, nxpk= 0, iat= 922, 935, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58, &end
#
# 61 GLU- HB2 62 GLU- HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 924, 935, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 61 GLU- HB2 63 SER QB 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 924, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 954, 955,
&end
#
# 61 GLU- HB2 64 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 924, 961, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 GLU- HB3 62 GLU- HN 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat= 925, 935, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 61 GLU- HB3 63 SER QB 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= 925, -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr2= 954, 955,
&end
#
# 61 GLU- HB3 64 SER HN 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= 925, 961, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30, &end
#
# 61 GLU- HN 61 GLU- HB2 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 920, 924, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 61 GLU- HN 61 GLU- HB3 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat= 920, 925, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 61 GLU- HN 61 GLU- HG2 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 920, 927, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 61 GLU- HN 61 GLU- HG3 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat= 920, 928, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95, &end
#
# 61 GLU- HN 61 GLU- QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 924, 925,
&end
#
# 61 GLU- HN 61 GLU- QG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= 920, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr2= 927, 928,
&end
#
# 61 GLU- QB 63 SER HA 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat= -1, 952, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
igr1= 924, 925,
&end
#
# 61 GLU- QB 63 SER HN 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 924, 925,
&end
#
# 61 GLU- QB 63 SER QB 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1= 924, 925,
igr2= 954, 955,
&end
#
# 62 GLU- HA 62 GLU- QG 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2= 942, 943,
&end
#
# 62 GLU- HA 65 VAL HB 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= 937, 976, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 62 GLU- HA 65 VAL HN 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= 937, 972, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 62 GLU- HA 65 VAL QG2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat= 937, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 982, 983, 984,
&end
#
# 62 GLU- HA 66 GLN HN 1.80 5.31
&rst
ixpk= 0, nxpk= 0, iat= 937, 988, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81, &end
#
# 62 GLU- HN 62 GLU- QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2= 939, 940,
&end
#
# 62 GLU- HN 62 GLU- QG 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= 935, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2= 942, 943,
&end
#
# 62 GLU- QB 63 SER HN 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, 950, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr1= 939, 940,
&end
#
# 62 GLU- QB 65 VAL HN 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1= 939, 940,
&end
#
# 62 GLU- QB 65 VAL QG2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 939, 940,
igr2= 982, 983, 984,
&end
#
# 62 GLU- QG 65 VAL QG2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr1= 942, 943,
igr2= 982, 983, 984,
&end
#
# 63 SER HA 65 VAL HN 1.80 4.68
&rst
ixpk= 0, nxpk= 0, iat= 952, 972, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 63 SER HA 66 GLN HB2 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 952, 992, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 63 SER HA 66 GLN HB3 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= 952, 993, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34, &end
#
# 63 SER HA 66 GLN HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 952, 988, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 63 SER HA 66 GLN QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= 952, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2= 995, 996,
&end
#
# 63 SER HN 64 SER HN 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat= 950, 961, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06, &end
#
# 63 SER QB 64 SER HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 961, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1= 954, 955,
&end
#
# 63 SER QB 66 GLN QB 1.80 5.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
igr1= 954, 955,
igr2= 992, 993,
&end
#
# 64 SER HA 67 ALA HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= 963,1005, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 64 SER HA 67 ALA QB 1.80 2.98
&rst
ixpk= 0, nxpk= 0, iat= 963, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1009,1010,1011,
&end
#
# 64 SER HN 64 SER HB2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 961, 965, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 64 SER HN 64 SER HB3 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= 961, 966, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 64 SER HN 64 SER HG 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 961, 968, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 64 SER HN 64 SER QB 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
igr2= 965, 966,
&end
#
# 64 SER HN 65 VAL HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 961, 972, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88, &end
#
# 64 SER HN 65 VAL QG2 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat= 961, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 982, 983, 984,
&end
#
# 64 SER QB 65 VAL HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1, 972, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 965, 966,
&end
#
# 64 SER QB 65 VAL QG2 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
igr1= 965, 966,
igr2= 982, 983, 984,
&end
#
# 65 VAL HA 65 VAL QG1 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 978, 979, 980,
&end
#
# 65 VAL HA 65 VAL QG2 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2= 982, 983, 984,
&end
#
# 65 VAL HA 68 LEU HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 974,1019, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 65 VAL HA 68 LEU HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= 974,1020, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 65 VAL HA 68 LEU HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= 974,1015, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43, &end
#
# 65 VAL HA 68 LEU QB 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1019,1020,
&end
#
# 65 VAL HA 68 LEU QD2 1.80 4.26
&rst
ixpk= 0, nxpk= 0, iat= 974, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1028,1029,1030,
&end
#
# 65 VAL HA 69 ILE HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 974,1034, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 65 VAL HB 66 GLN HN 1.80 3.39
&rst
ixpk= 0, nxpk= 0, iat= 976, 988, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89, &end
#
# 65 VAL HN 65 VAL HB 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 65 VAL HN 65 VAL QG1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2= 978, 979, 980,
&end
#
# 65 VAL HN 65 VAL QG2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2= 982, 983, 984,
&end
#
# 65 VAL HN 66 GLN HN 1.80 3.36
&rst
ixpk= 0, nxpk= 0, iat= 972, 988, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 65 VAL HN 66 GLN QB 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= 972, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2= 992, 993,
&end
#
# 65 VAL QG1 66 GLN HN 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1= 978, 979, 980,
&end
#
# 65 VAL QG1 68 LEU HN 1.80 4.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1015, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr1= 978, 979, 980,
&end
#
# 65 VAL QG1 69 ILE HN 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr1= 978, 979, 980,
&end
#
# 65 VAL QG1 97 PRO HB2 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 978, 979, 980,
&end
#
# 65 VAL QG1 97 PRO HB3 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1= 978, 979, 980,
&end
#
# 65 VAL QG1 97 PRO QB 1.80 3.66
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr1= 978, 979, 980,
igr2=1484,1485,
&end
#
# 65 VAL QG1 97 PRO QG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr1= 978, 979, 980,
igr2=1481,1482,
&end
#
# 65 VAL QG2 66 GLN HN 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat= -1, 988, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1= 982, 983, 984,
&end
#
# 66 GLN HA 66 GLN QE2 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1000,1001,
&end
#
# 66 GLN HA 66 GLN QG 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 995, 996,
&end
#
# 66 GLN HA 68 LEU HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat= 990,1015, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 66 GLN HA 69 ILE HB 1.80 3.40
&rst
ixpk= 0, nxpk= 0, iat= 990,1038, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 66 GLN HA 69 ILE HG12 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 990,1044, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 66 GLN HA 69 ILE HG13 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat= 990,1045, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98, &end
#
# 66 GLN HA 69 ILE HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= 990,1034, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 66 GLN HA 69 ILE QD1 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1047,1048,1049,
&end
#
# 66 GLN HA 69 ILE QG1 1.80 3.86
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr2=1044,1045,
&end
#
# 66 GLN HA 69 ILE QG2 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= 990, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2=1040,1041,1042,
&end
#
# 66 GLN HA 70 ASP- HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= 990,1053, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 66 GLN HB2 66 GLN QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 992, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 995, 996,
&end
#
# 66 GLN HB2 67 ALA HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 992,1005, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 66 GLN HB3 66 GLN QG 1.80 3.00
&rst
ixpk= 0, nxpk= 0, iat= 993, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 995, 996,
&end
#
# 66 GLN HB3 67 ALA HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= 993,1005, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39, &end
#
# 66 GLN HE21 69 ILE QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1000, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1040,1041,1042,
&end
#
# 66 GLN HE22 69 ILE QG2 1.80 4.48
&rst
ixpk= 0, nxpk= 0, iat=1001, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2=1040,1041,1042,
&end
#
# 66 GLN HN 66 GLN HB2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 988, 992, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 66 GLN HN 66 GLN HB3 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= 988, 993, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72, &end
#
# 66 GLN HN 66 GLN QG 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr2= 995, 996,
&end
#
# 66 GLN HN 67 ALA HN 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= 988,1005, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 66 GLN HN 67 ALA QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat= 988, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1009,1010,1011,
&end
#
# 66 GLN QB 67 ALA HN 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1= 992, 993,
&end
#
# 66 GLN QB 69 ILE QD1 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
igr1= 992, 993,
igr2=1047,1048,1049,
&end
#
# 66 GLN QE2 69 ILE QD1 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
igr1=1000,1001,
igr2=1047,1048,1049,
&end
#
# 66 GLN QE2 69 ILE QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1000,1001,
igr2=1040,1041,1042,
&end
#
# 66 GLN QG 66 GLN HE21 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1000, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 995, 996,
&end
#
# 66 GLN QG 66 GLN HE22 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1001, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1= 995, 996,
&end
#
# 66 GLN QG 66 GLN QE2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 995, 996,
igr2=1000,1001,
&end
#
# 66 GLN QG 67 ALA HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1007, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1= 995, 996,
&end
#
# 66 GLN QG 67 ALA HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1005, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1= 995, 996,
&end
#
# 67 ALA HA 70 ASP- HB2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1007,1057, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 67 ALA HA 70 ASP- HB3 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1007,1058, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 67 ALA HA 70 ASP- HN 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1007,1053, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 67 ALA HA 70 ASP- QB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
igr2=1057,1058,
&end
#
# 67 ALA HN 67 ALA QB 1.80 2.89
&rst
ixpk= 0, nxpk= 0, iat=1005, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1009,1010,1011,
&end
#
# 67 ALA QB 68 LEU HA 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1017, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1009,1010,1011,
&end
#
# 67 ALA QB 68 LEU QB 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr1=1009,1010,1011,
igr2=1019,1020,
&end
#
# 68 LEU HA 68 LEU HG 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1017,1022, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65, &end
#
# 68 LEU HA 68 LEU QD1 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1024,1025,1026,
&end
#
# 68 LEU HA 68 LEU QD2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1028,1029,1030,
&end
#
# 68 LEU HA 71 ALA HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1017,1065, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 68 LEU HA 71 ALA QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
igr2=1069,1070,1071,
&end
#
# 68 LEU HA 72 CYS HG 1.80 4.92
&rst
ixpk= 0, nxpk= 0, iat=1017,1082, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42, &end
#
# 68 LEU HA 81 LEU QD1 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1017, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1225,1226,1227,
&end
#
# 68 LEU HB2 68 LEU QD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1019, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1028,1029,1030,
&end
#
# 68 LEU HB2 69 ILE HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1019,1034, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 68 LEU HB3 68 LEU QD2 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1020, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2=1028,1029,1030,
&end
#
# 68 LEU HB3 69 ILE HN 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1020,1034, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63, &end
#
# 68 LEU HG 69 ILE HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1022,1036, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 68 LEU HG 69 ILE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1022,1034, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 68 LEU HG 72 CYS HG 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1022,1082, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 68 LEU HG 95 ILE HB 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1022,1438, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 68 LEU HG 95 ILE QG2 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1022, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2=1440,1441,1442,
&end
#
# 68 LEU HN 68 LEU HB2 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1015,1019, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 68 LEU HN 68 LEU HB3 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat=1015,1020, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 68 LEU HN 68 LEU HG 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1015,1022, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 68 LEU HN 68 LEU QB 1.80 3.05
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
igr2=1019,1020,
&end
#
# 68 LEU HN 68 LEU QD2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1015, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1028,1029,1030,
&end
#
# 68 LEU HN 69 ILE HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1015,1034, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 68 LEU QB 68 LEU QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1019,1020,
igr2=1024,1025,1026,
&end
#
# 68 LEU QB 68 LEU QD2 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1019,1020,
igr2=1028,1029,1030,
&end
#
# 68 LEU QB 69 ILE HN 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr1=1019,1020,
&end
#
# 68 LEU QD1 71 ALA QB 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr1=1024,1025,1026,
igr2=1069,1070,1071,
&end
#
# 68 LEU QD1 72 CYS HG 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1024,1025,1026,
&end
#
# 68 LEU QD2 69 ILE HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat= -1,1034, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
igr1=1028,1029,1030,
&end
#
# 68 LEU QD2 72 CYS HG 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1028,1029,1030,
&end
#
# 69 ILE HA 69 ILE HG12 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1036,1044, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 69 ILE HA 69 ILE HG13 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1036,1045, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 69 ILE HA 69 ILE QD1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr2=1047,1048,1049,
&end
#
# 69 ILE HA 69 ILE QG1 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr2=1044,1045,
&end
#
# 69 ILE HA 69 ILE QG2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2=1040,1041,1042,
&end
#
# 69 ILE HA 72 CYS HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1036,1079, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 69 ILE HA 72 CYS HB3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1036,1080, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 69 ILE HA 72 CYS HN 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1036,1075, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 69 ILE HA 72 CYS QB 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1079,1080,
&end
#
# 69 ILE HA 79 LEU QD1 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1185,1186,1187,
&end
#
# 69 ILE HA 79 LEU QD2 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1036, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1189,1190,1191,
&end
#
# 69 ILE HB 69 ILE QD1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1038, -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
igr2=1047,1048,1049,
&end
#
# 69 ILE HB 70 ASP- HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1038,1053, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 69 ILE HN 69 ILE HB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1034,1038, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 69 ILE HN 69 ILE HG12 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1034,1044, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 ILE HN 69 ILE HG13 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1034,1045, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 69 ILE HN 69 ILE QD1 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr2=1047,1048,1049,
&end
#
# 69 ILE HN 69 ILE QG1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2=1044,1045,
&end
#
# 69 ILE HN 69 ILE QG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1034, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1040,1041,1042,
&end
#
# 69 ILE QD1 97 PRO HB2 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1484, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1047,1048,1049,
&end
#
# 69 ILE QD1 97 PRO HB3 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1,1485, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
igr1=1047,1048,1049,
&end
#
# 69 ILE QD1 97 PRO QB 1.80 3.69
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
igr1=1047,1048,1049,
igr2=1484,1485,
&end
#
# 69 ILE QD1 97 PRO QG 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1047,1048,1049,
igr2=1481,1482,
&end
#
# 69 ILE QG1 97 PRO QB 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr1=1044,1045,
igr2=1484,1485,
&end
#
# 69 ILE QG1 97 PRO QG 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1=1044,1045,
igr2=1481,1482,
&end
#
# 69 ILE QG2 69 ILE QG1 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
igr1=1040,1041,1042,
igr2=1044,1045,
&end
#
# 69 ILE QG2 70 ASP- HA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1,1055, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
igr1=1040,1041,1042,
&end
#
# 69 ILE QG2 70 ASP- HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1053, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr1=1040,1041,1042,
&end
#
# 69 ILE QG2 72 CYS HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr1=1040,1041,1042,
&end
#
# 69 ILE QG2 97 PRO HG2 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1481, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1040,1041,1042,
&end
#
# 69 ILE QG2 97 PRO HG3 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1,1482, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1=1040,1041,1042,
&end
#
# 69 ILE QG2 97 PRO QG 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
igr1=1040,1041,1042,
igr2=1481,1482,
&end
#
# 70 ASP- HA 72 CYS HN 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1055,1075, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94, &end
#
# 70 ASP- HB2 71 ALA HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1057,1065, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 ASP- HB3 71 ALA HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1058,1065, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 70 ASP- HN 70 ASP- HB2 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1053,1057, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 70 ASP- HN 70 ASP- HB3 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1053,1058, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 70 ASP- HN 71 ALA HN 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1053,1065, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93, &end
#
# 70 ASP- HN 71 ALA QB 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1053, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2=1069,1070,1071,
&end
#
# 70 ASP- QB 71 ALA HN 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1065, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr1=1057,1058,
&end
#
# 71 ALA HN 71 ALA QB 1.80 2.91
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1069,1070,1071,
&end
#
# 71 ALA HN 72 CYS HG 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1065,1082, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 71 ALA HN 72 CYS HN 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1065,1075, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 71 ALA HN 81 LEU QD1 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat=1065, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1225,1226,1227,
&end
#
# 71 ALA QB 72 CYS HG 1.80 4.30
&rst
ixpk= 0, nxpk= 0, iat= -1,1082, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr1=1069,1070,1071,
&end
#
# 71 ALA QB 72 CYS HN 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat= -1,1075, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
igr1=1069,1070,1071,
&end
#
# 71 ALA QB 81 LEU QD1 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr1=1069,1070,1071,
igr2=1225,1226,1227,
&end
#
# 71 ALA QB 81 LEU QD2 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1069,1070,1071,
igr2=1229,1230,1231,
&end
#
# 72 CYS HA 72 CYS HG 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat=1077,1082, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69, &end
#
# 72 CYS HA 73 LEU HN 1.80 3.17
&rst
ixpk= 0, nxpk= 0, iat=1077,1086, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67, &end
#
# 72 CYS HA 79 LEU QD2 1.80 5.10
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
igr2=1189,1190,1191,
&end
#
# 72 CYS HA 80 TYR HN 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1077,1195, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 72 CYS HA 81 LEU HA 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat=1077,1218, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25, &end
#
# 72 CYS HA 81 LEU QB 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1220,1221,
&end
#
# 72 CYS HA 81 LEU QD1 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1225,1226,1227,
&end
#
# 72 CYS HA 81 LEU QD2 1.80 4.83
&rst
ixpk= 0, nxpk= 0, iat=1077, -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
igr2=1229,1230,1231,
&end
#
# 72 CYS HB2 73 LEU HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1079,1086, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 72 CYS HB2 79 LEU HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1079,1178, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 CYS HB2 79 LEU HB2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1079,1180, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 CYS HB2 79 LEU HB3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1079,1181, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 CYS HB2 79 LEU QD1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1185,1186,1187,
&end
#
# 72 CYS HB2 79 LEU QD2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1079, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1189,1190,1191,
&end
#
# 72 CYS HB2 80 TYR HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1079,1195, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 72 CYS HB3 73 LEU HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1080,1086, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 72 CYS HB3 79 LEU HA 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1080,1178, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 CYS HB3 79 LEU HB2 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1080,1180, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 CYS HB3 79 LEU HB3 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1080,1181, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 72 CYS HB3 79 LEU QD1 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1185,1186,1187,
&end
#
# 72 CYS HB3 79 LEU QD2 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat=1080, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2=1189,1190,1191,
&end
#
# 72 CYS HB3 80 TYR HN 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1080,1195, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 72 CYS HG 81 LEU QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1082, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1225,1226,1227,
&end
#
# 72 CYS HN 72 CYS HB2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1075,1079, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 72 CYS HN 72 CYS HB3 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1075,1080, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18, &end
#
# 72 CYS HN 72 CYS HG 1.80 3.26
&rst
ixpk= 0, nxpk= 0, iat=1075,1082, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76, &end
#
# 72 CYS HN 72 CYS QB 1.80 3.11
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
igr2=1079,1080,
&end
#
# 72 CYS HN 79 LEU QD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1075, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1189,1190,1191,
&end
#
# 72 CYS QB 73 LEU HN 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat= -1,1086, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr1=1079,1080,
&end
#
# 72 CYS QB 79 LEU HA 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1079,1080,
&end
#
# 72 CYS QB 79 LEU HG 1.80 5.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1183, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1079,1080,
&end
#
# 72 CYS QB 79 LEU QB 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1079,1080,
igr2=1180,1181,
&end
#
# 72 CYS QB 79 LEU QD2 1.80 3.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1079,1080,
igr2=1189,1190,1191,
&end
#
# 72 CYS QB 80 TYR HN 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr1=1079,1080,
&end
#
# 73 LEU HA 73 LEU HG 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat=1088,1093, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35, &end
#
# 73 LEU HA 73 LEU QD1 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1095,1096,1097,
&end
#
# 73 LEU HA 73 LEU QD2 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1088, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1099,1100,1101,
&end
#
# 73 LEU HA 74 GLU- HB3 1.80 5.24
&rst
ixpk= 0, nxpk= 0, iat=1088,1110, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74, &end
#
# 73 LEU HA 74 GLU- HN 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1088,1105, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59, &end
#
# 73 LEU HG 74 GLU- HN 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat=1093,1105, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30, &end
#
# 73 LEU HN 73 LEU HG 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1086,1093, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 73 LEU HN 73 LEU QB 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1090,1091,
&end
#
# 73 LEU HN 73 LEU QD1 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2=1095,1096,1097,
&end
#
# 73 LEU HN 80 TYR HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1086,1195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 73 LEU HN 80 TYR QB 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat=1086, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr2=1199,1200,
&end
#
# 73 LEU QB 73 LEU QD1 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
igr1=1090,1091,
igr2=1095,1096,1097,
&end
#
# 73 LEU QB 74 GLU- HN 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1=1090,1091,
&end
#
# 73 LEU QB 80 TYR HB2 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1199, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1090,1091,
&end
#
# 73 LEU QB 80 TYR HB3 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1200, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr1=1090,1091,
&end
#
# 73 LEU QB 80 TYR QB 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr1=1090,1091,
igr2=1199,1200,
&end
#
# 73 LEU QB 80 TYR QD 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1090,1091,
igr2=1203,1212,
&end
#
# 73 LEU QD1 74 GLU- HN 1.80 5.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
igr1=1095,1096,1097,
&end
#
# 73 LEU QD1 80 TYR QB 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
igr1=1095,1096,1097,
igr2=1199,1200,
&end
#
# 73 LEU QD1 80 TYR QD 1.80 5.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
igr1=1095,1096,1097,
igr2=1203,1212,
&end
#
# 73 LEU QD2 74 GLU- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat= -1,1105, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr1=1099,1100,1101,
&end
#
# 74 GLU- HA 74 GLU- HG2 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1107,1112, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 74 GLU- HA 74 GLU- HG3 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1107,1113, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, &end
#
# 74 GLU- HA 75 GLU- HN 1.80 3.01
&rst
ixpk= 0, nxpk= 0, iat=1107,1120, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 74 GLU- HA 79 LEU HA 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1107,1178, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 74 GLU- HA 79 LEU QD2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1189,1190,1191,
&end
#
# 74 GLU- HA 80 TYR HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1107,1195, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 74 GLU- HA 80 TYR QD 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat=1107, -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
igr2=1203,1212,
&end
#
# 74 GLU- HB2 75 GLU- HN 1.80 4.55
&rst
ixpk= 0, nxpk= 0, iat=1109,1120, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 74 GLU- HB2 79 LEU QD2 1.80 3.42
&rst
ixpk= 0, nxpk= 0, iat=1109, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2=1189,1190,1191,
&end
#
# 74 GLU- HB3 75 GLU- HN 1.80 5.16
&rst
ixpk= 0, nxpk= 0, iat=1110,1120, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66, &end
#
# 74 GLU- HB3 79 LEU QD2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1110, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1189,1190,1191,
&end
#
# 74 GLU- HG2 75 GLU- HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1112,1120, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 74 GLU- HG2 78 LYS+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1112,1154, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 74 GLU- HG2 79 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1112, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1189,1190,1191,
&end
#
# 74 GLU- HG3 75 GLU- HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1113,1120, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 74 GLU- HG3 78 LYS+ HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1113,1154, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 74 GLU- HG3 79 LEU QD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat=1113, -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr2=1189,1190,1191,
&end
#
# 74 GLU- HN 74 GLU- HB2 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1105,1109, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 74 GLU- HN 74 GLU- HB3 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1105,1110, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 74 GLU- HN 74 GLU- HG2 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1105,1112, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 74 GLU- HN 74 GLU- HG3 1.80 4.89
&rst
ixpk= 0, nxpk= 0, iat=1105,1113, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 74 GLU- HN 74 GLU- QG 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1105, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr2=1112,1113,
&end
#
# 74 GLU- QG 75 GLU- HN 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat= -1,1120, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
igr1=1112,1113,
&end
#
# 74 GLU- QG 77 GLY HN 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat= -1,1147, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr1=1112,1113,
&end
#
# 74 GLU- QG 77 GLY QA 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
igr1=1112,1113,
igr2=1149,1150,
&end
#
# 74 GLU- QG 78 LYS+ HN 1.80 4.24
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1112,1113,
&end
#
# 74 GLU- QG 79 LEU HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1112,1113,
&end
#
# 74 GLU- QG 79 LEU QD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr1=1112,1113,
igr2=1189,1190,1191,
&end
#
# 75 GLU- HA 75 GLU- QG 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat=1122, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1127,1128,
&end
#
# 75 GLU- HB2 80 TYR QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1124, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1205,1210,
&end
#
# 75 GLU- HB3 80 TYR QE 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1125, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2=1205,1210,
&end
#
# 75 GLU- HN 78 LYS+ HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1120,1154, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 75 GLU- HN 79 LEU HA 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1120,1178, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 75 GLU- HN 79 LEU QD2 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1189,1190,1191,
&end
#
# 75 GLU- HN 80 TYR QD 1.80 4.44
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1203,1212,
&end
#
# 75 GLU- HN 80 TYR QE 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat=1120, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1205,1210,
&end
#
# 75 GLU- QB 79 LEU HA 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1178, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr1=1124,1125,
&end
#
# 75 GLU- QB 80 TYR QB 1.80 4.95
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr1=1124,1125,
igr2=1199,1200,
&end
#
# 75 GLU- QB 80 TYR QD 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1124,1125,
igr2=1203,1212,
&end
#
# 75 GLU- QB 80 TYR QE 1.80 3.56
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1=1124,1125,
igr2=1205,1210,
&end
#
# 76 ASP- HA 107 MET QE 1.80 5.03
&rst
ixpk= 0, nxpk= 0, iat=1137, -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
igr2=1641,1642,1643,
&end
#
# 76 ASP- HA 77 GLY HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1137,1147, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 76 ASP- HB2 107 MET QE 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1139, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1641,1642,1643,
&end
#
# 76 ASP- HB3 107 MET QE 1.80 4.37
&rst
ixpk= 0, nxpk= 0, iat=1140, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2=1641,1642,1643,
&end
#
# 76 ASP- HN 77 GLY HN 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 76 ASP- QB 107 MET QE 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr1=1139,1140,
igr2=1641,1642,1643,
&end
#
# 76 ASP- QB 78 LYS+ HN 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat= -1,1154, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr1=1139,1140,
&end
#
# 76 ASP- QB 78 LYS+ QD 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr1=1139,1140,
igr2=1164,1165,
&end
#
# 76 ASP- QB 80 TYR QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1139,1140,
igr2=1205,1210,
&end
#
# 77 GLY HN 78 LYS+ HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1147,1154, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 78 LYS+ HA 78 LYS+ QD 1.80 4.13
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
igr2=1164,1165,
&end
#
# 78 LYS+ HA 78 LYS+ QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2=1167,1168,
&end
#
# 78 LYS+ HA 78 LYS+ QG 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
igr2=1161,1162,
&end
#
# 78 LYS+ HA 79 LEU HG 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1156,1183, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09, &end
#
# 78 LYS+ HA 79 LEU HN 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat=1156,1176, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 78 LYS+ HA 79 LEU QD2 1.80 5.35
&rst
ixpk= 0, nxpk= 0, iat=1156, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2=1189,1190,1191,
&end
#
# 78 LYS+ HB2 78 LYS+ QD 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1164,1165,
&end
#
# 78 LYS+ HB2 78 LYS+ QE 1.80 4.56
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr2=1167,1168,
&end
#
# 78 LYS+ HB2 79 LEU HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1158,1176, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 78 LYS+ HB2 80 TYR QE 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1158, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1205,1210,
&end
#
# 78 LYS+ HB3 78 LYS+ QD 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1164,1165,
&end
#
# 78 LYS+ HB3 78 LYS+ QE 1.80 4.64
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
igr2=1167,1168,
&end
#
# 78 LYS+ HB3 79 LEU HN 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat=1159,1176, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 78 LYS+ HB3 80 TYR QE 1.80 3.78
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1205,1210,
&end
#
# 78 LYS+ HB3 94 GLN QG 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat=1159, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2=1424,1425,
&end
#
# 78 LYS+ HN 78 LYS+ HB2 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1154,1158, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 78 LYS+ HN 78 LYS+ HB3 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1154,1159, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 78 LYS+ HN 78 LYS+ HG2 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1154,1161, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 78 LYS+ HN 78 LYS+ HG3 1.80 4.25
&rst
ixpk= 0, nxpk= 0, iat=1154,1162, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75, &end
#
# 78 LYS+ HN 78 LYS+ QD 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2=1164,1165,
&end
#
# 78 LYS+ HN 78 LYS+ QE 1.80 5.09
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr2=1167,1168,
&end
#
# 78 LYS+ HN 78 LYS+ QG 1.80 3.38
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
igr2=1161,1162,
&end
#
# 78 LYS+ HN 80 TYR QE 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat=1154, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2=1205,1210,
&end
#
# 78 LYS+ QD 80 TYR QE 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr1=1164,1165,
igr2=1205,1210,
&end
#
# 78 LYS+ QD 94 GLN QE2 1.80 4.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
igr1=1164,1165,
igr2=1429,1430,
&end
#
# 78 LYS+ QD 94 GLN QG 1.80 4.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1164,1165,
igr2=1424,1425,
&end
#
# 78 LYS+ QE 80 TYR QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1=1167,1168,
igr2=1205,1210,
&end
#
# 78 LYS+ QG 80 TYR QE 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1=1161,1162,
igr2=1205,1210,
&end
#
# 79 LEU HA 79 LEU HG 1.80 4.10
&rst
ixpk= 0, nxpk= 0, iat=1178,1183, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 79 LEU HA 79 LEU QD1 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1185,1186,1187,
&end
#
# 79 LEU HA 79 LEU QD2 1.80 3.10
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
igr2=1189,1190,1191,
&end
#
# 79 LEU HA 80 TYR HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1178,1195, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 79 LEU HA 80 TYR QD 1.80 4.54
&rst
ixpk= 0, nxpk= 0, iat=1178, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr2=1203,1212,
&end
#
# 79 LEU HB2 79 LEU QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1185,1186,1187,
&end
#
# 79 LEU HB2 79 LEU QD2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1180, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1189,1190,1191,
&end
#
# 79 LEU HB2 80 TYR HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1180,1195, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 79 LEU HB2 95 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1180,1438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 LEU HB3 79 LEU QD1 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2=1185,1186,1187,
&end
#
# 79 LEU HB3 79 LEU QD2 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1181, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2=1189,1190,1191,
&end
#
# 79 LEU HB3 80 TYR HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1181,1195, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 79 LEU HB3 95 ILE HB 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat=1181,1438, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 79 LEU HG 80 TYR HN 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1183,1195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 79 LEU HN 79 LEU HB2 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1176,1180, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 79 LEU HN 79 LEU HB3 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat=1176,1181, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47, &end
#
# 79 LEU HN 79 LEU HG 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1176,1183, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 79 LEU HN 79 LEU QB 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
igr2=1180,1181,
&end
#
# 79 LEU HN 79 LEU QD1 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1185,1186,1187,
&end
#
# 79 LEU HN 79 LEU QD2 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat=1176, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr2=1189,1190,1191,
&end
#
# 79 LEU QB 79 LEU QD2 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
igr1=1180,1181,
igr2=1189,1190,1191,
&end
#
# 79 LEU QB 80 TYR HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1180,1181,
&end
#
# 79 LEU QB 95 ILE QG2 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr1=1180,1181,
igr2=1440,1441,1442,
&end
#
# 79 LEU QD1 95 ILE HB 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1438, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1185,1186,1187,
&end
#
# 79 LEU QD1 96 ARG+ HA 1.80 5.42
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
igr1=1185,1186,1187,
&end
#
# 79 LEU QD1 97 PRO HD2 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1185,1186,1187,
&end
#
# 79 LEU QD1 97 PRO HD3 1.80 4.12
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1185,1186,1187,
&end
#
# 79 LEU QD1 97 PRO QG 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr1=1185,1186,1187,
igr2=1481,1482,
&end
#
# 79 LEU QD2 80 TYR HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1195, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1189,1190,1191,
&end
#
# 80 TYR HA 80 TYR QD 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1203,1212,
&end
#
# 80 TYR HA 81 LEU HN 1.80 3.23
&rst
ixpk= 0, nxpk= 0, iat=1197,1216, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 80 TYR HA 94 GLN HA 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat=1197,1419, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38, &end
#
# 80 TYR HA 95 ILE HB 1.80 4.62
&rst
ixpk= 0, nxpk= 0, iat=1197,1438, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12, &end
#
# 80 TYR HA 95 ILE HN 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1197,1434, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 80 TYR HA 95 ILE QG1 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat=1197, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1444,1445,
&end
#
# 80 TYR HB2 81 LEU HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1199,1216, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 TYR HB2 92 PRO HB2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1199,1394, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 80 TYR HB2 92 PRO HB3 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1199,1395, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 80 TYR HB3 81 LEU HN 1.80 4.42
&rst
ixpk= 0, nxpk= 0, iat=1200,1216, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 80 TYR HB3 92 PRO HB2 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1200,1394, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 80 TYR HB3 92 PRO HB3 1.80 5.39
&rst
ixpk= 0, nxpk= 0, iat=1200,1395, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89, &end
#
# 80 TYR HN 80 TYR QD 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2=1203,1212,
&end
#
# 80 TYR HN 95 ILE QG1 1.80 5.34
&rst
ixpk= 0, nxpk= 0, iat=1195, -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
igr2=1444,1445,
&end
#
# 80 TYR QB 81 LEU HN 1.80 3.74
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1=1199,1200,
&end
#
# 80 TYR QB 92 PRO QB 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr1=1199,1200,
igr2=1394,1395,
&end
#
# 80 TYR QD 81 LEU HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1216, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1203,1212,
&end
#
# 80 TYR QD 92 PRO QB 1.80 3.85
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
igr1=1203,1212,
igr2=1394,1395,
&end
#
# 80 TYR QD 94 GLN HA 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1419, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr1=1203,1212,
&end
#
# 80 TYR QE 94 GLN HG2 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1424, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1205,1210,
&end
#
# 80 TYR QE 94 GLN HG3 1.80 4.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1425, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
igr1=1205,1210,
&end
#
# 80 TYR QE 94 GLN QB 1.80 4.05
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
igr1=1205,1210,
igr2=1421,1422,
&end
#
# 80 TYR QE 94 GLN QG 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr1=1205,1210,
igr2=1424,1425,
&end
#
# 81 LEU HA 81 LEU QD1 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1225,1226,1227,
&end
#
# 81 LEU HA 81 LEU QD2 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1218, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2=1229,1230,1231,
&end
#
# 81 LEU HA 82 CYS HN 1.80 3.16
&rst
ixpk= 0, nxpk= 0, iat=1218,1235, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 81 LEU HB2 81 LEU QD2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1220, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1229,1230,1231,
&end
#
# 81 LEU HB2 82 CYS HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1220,1235, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 81 LEU HB3 81 LEU QD2 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat=1221, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1229,1230,1231,
&end
#
# 81 LEU HB3 82 CYS HN 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1221,1235, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 81 LEU HG 82 CYS HN 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1223,1235, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 81 LEU HG 93 VAL QG2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1223, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2=1411,1412,1413,
&end
#
# 81 LEU HN 81 LEU HB2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1216,1220, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 81 LEU HN 81 LEU HB3 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1216,1221, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48, &end
#
# 81 LEU HN 93 VAL HN 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1216,1401, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45, &end
#
# 81 LEU HN 93 VAL QG2 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2=1411,1412,1413,
&end
#
# 81 LEU HN 94 GLN HA 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1216,1419, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02, &end
#
# 81 LEU HN 95 ILE QD1 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1447,1448,1449,
&end
#
# 81 LEU HN 95 ILE QG1 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1216, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1444,1445,
&end
#
# 81 LEU QB 81 LEU QD1 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1220,1221,
igr2=1225,1226,1227,
&end
#
# 81 LEU QB 82 CYS HN 1.80 3.63
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
igr1=1220,1221,
&end
#
# 81 LEU QB 93 VAL QG2 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1220,1221,
igr2=1411,1412,1413,
&end
#
# 81 LEU QB 95 ILE QG1 1.80 3.88
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
igr1=1220,1221,
igr2=1444,1445,
&end
#
# 81 LEU QD1 82 CYS HN 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat= -1,1235, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr1=1225,1226,1227,
&end
#
# 81 LEU QD1 95 ILE QG2 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1225,1226,1227,
igr2=1440,1441,1442,
&end
#
# 82 CYS HA 83 VAL HN 1.80 3.14
&rst
ixpk= 0, nxpk= 0, iat=1237,1246, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 82 CYS HA 83 VAL QG2 1.80 4.31
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr2=1256,1257,1258,
&end
#
# 82 CYS HA 92 PRO HA 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1237,1397, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 82 CYS HA 92 PRO QB 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr2=1394,1395,
&end
#
# 82 CYS HA 93 VAL HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat=1237,1401, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56, &end
#
# 82 CYS HA 93 VAL QG1 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
igr2=1407,1408,1409,
&end
#
# 82 CYS HA 93 VAL QG2 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1237, -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
igr2=1411,1412,1413,
&end
#
# 82 CYS HB2 83 VAL HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1239,1246, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 CYS HB3 83 VAL HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1240,1246, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96, &end
#
# 82 CYS HN 82 CYS HB2 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1235,1239, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 82 CYS HN 82 CYS HB3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1235,1240, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 82 CYS HN 82 CYS QB 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1235, -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
igr2=1239,1240,
&end
#
# 82 CYS QB 83 VAL HN 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat= -1,1246, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr1=1239,1240,
&end
#
# 82 CYS QB 90 ASP- HA 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat= -1,1355, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
igr1=1239,1240,
&end
#
# 83 VAL HA 83 VAL QG1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1252,1253,1254,
&end
#
# 83 VAL HA 83 VAL QG2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1248, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2=1256,1257,1258,
&end
#
# 83 VAL HA 84 SER HN 1.80 3.13
&rst
ixpk= 0, nxpk= 0, iat=1248,1262, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 83 VAL HB 84 SER HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1250,1262, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HB 93 VAL QG2 1.80 4.33
&rst
ixpk= 0, nxpk= 0, iat=1250, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2=1411,1412,1413,
&end
#
# 83 VAL HN 83 VAL HB 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1246,1250, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 83 VAL HN 83 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1252,1253,1254,
&end
#
# 83 VAL HN 83 VAL QG2 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2=1256,1257,1258,
&end
#
# 83 VAL HN 91 LYS HN 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1246,1365, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 83 VAL HN 92 PRO HA 1.80 4.76
&rst
ixpk= 0, nxpk= 0, iat=1246,1397, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26, &end
#
# 83 VAL HN 93 VAL QG2 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1246, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1411,1412,1413,
&end
#
# 83 VAL QG1 84 SER HN 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
igr1=1252,1253,1254,
&end
#
# 83 VAL QG1 93 VAL QG2 1.80 2.94
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr1=1252,1253,1254,
igr2=1411,1412,1413,
&end
#
# 83 VAL QG2 84 SER HA 1.80 4.80
&rst
ixpk= 0, nxpk= 0, iat= -1,1264, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr1=1256,1257,1258,
&end
#
# 83 VAL QG2 84 SER HN 1.80 4.36
&rst
ixpk= 0, nxpk= 0, iat= -1,1262, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr1=1256,1257,1258,
&end
#
# 83 VAL QG2 91 LYS+ HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr1=1256,1257,1258,
&end
#
# 83 VAL QG2 91 LYS+ HB3 1.80 3.61
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1256,1257,1258,
&end
#
# 83 VAL QG2 91 LYS+ QG 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr1=1256,1257,1258,
igr2=1372,1373,
&end
#
# 83 VAL QG2 93 VAL HB 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1405, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1256,1257,1258,
&end
#
# 84 SER HA 85 SER HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1264,1273, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 84 SER HA 88 ILE HB 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1264,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 84 SER HA 89 LYS+ HA 1.80 3.76
&rst
ixpk= 0, nxpk= 0, iat=1264,1333, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 84 SER HA 90 ASP- HN 1.80 4.01
&rst
ixpk= 0, nxpk= 0, iat=1264,1353, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51, &end
#
# 84 SER HA 91 LYS+ HN 1.80 4.43
&rst
ixpk= 0, nxpk= 0, iat=1264,1365, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93, &end
#
# 84 SER HB2 85 SER HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1266,1273, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 84 SER HB2 89 LYS+ QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1266, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1341,1342,
&end
#
# 84 SER HB2 90 ASP- HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1266,1353, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 84 SER HB3 85 SER HN 1.80 4.23
&rst
ixpk= 0, nxpk= 0, iat=1267,1273, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73, &end
#
# 84 SER HB3 89 LYS+ QD 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1267, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr2=1341,1342,
&end
#
# 84 SER HB3 90 ASP- HN 1.80 4.82
&rst
ixpk= 0, nxpk= 0, iat=1267,1353, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32, &end
#
# 84 SER HN 84 SER HB2 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1262,1266, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 84 SER HN 84 SER HB3 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1262,1267, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 84 SER HN 84 SER QB 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1262, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2=1266,1267,
&end
#
# 84 SER QB 85 SER HN 1.80 3.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1273, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1266,1267,
&end
#
# 84 SER QB 89 LYS+ HA 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat= -1,1333, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1266,1267,
&end
#
# 84 SER QB 89 LYS+ QD 1.80 3.81
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1266,1267,
igr2=1341,1342,
&end
#
# 84 SER QB 90 ASP- HN 1.80 4.20
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr1=1266,1267,
&end
#
# 85 SER HA 86 PRO HD2 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1275,1285, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 85 SER HA 86 PRO HD3 1.80 3.91
&rst
ixpk= 0, nxpk= 0, iat=1275,1286, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 85 SER HA 86 PRO QD 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1275, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2=1285,1286,
&end
#
# 85 SER HB2 86 PRO HD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1277,1285, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 SER HB2 86 PRO HD3 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1277,1286, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 SER HB3 86 PRO HD2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1278,1285, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 SER HB3 86 PRO HD3 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1278,1286, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77, &end
#
# 85 SER HN 88 ILE HB 1.80 4.67
&rst
ixpk= 0, nxpk= 0, iat=1273,1316, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17, &end
#
# 85 SER HN 88 ILE HN 1.80 4.63
&rst
ixpk= 0, nxpk= 0, iat=1273,1312, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13, &end
#
# 85 SER HN 88 ILE QG2 1.80 4.88
&rst
ixpk= 0, nxpk= 0, iat=1273, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1318,1319,1320,
&end
#
# 85 SER HN 89 LYS+ HA 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1273,1333, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 85 SER QB 86 PRO QD 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr1=1277,1278,
igr2=1285,1286,
&end
#
# 85 SER QB 88 ILE HB 1.80 4.72
&rst
ixpk= 0, nxpk= 0, iat= -1,1316, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1=1277,1278,
&end
#
# 86 PRO HA 86 PRO HG2 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1294,1288, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 86 PRO HA 86 PRO HG3 1.80 4.02
&rst
ixpk= 0, nxpk= 0, iat=1294,1289, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52, &end
#
# 86 PRO HA 86 PRO QG 1.80 3.41
&rst
ixpk= 0, nxpk= 0, iat=1294, -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
igr2=1288,1289,
&end
#
# 86 PRO HB2 87 THR QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1291, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1304,1305,1306,
&end
#
# 86 PRO HB3 87 THR QG2 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1292, -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
igr2=1304,1305,1306,
&end
#
# 86 PRO HD2 86 PRO HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1285,1288, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 86 PRO HD2 86 PRO HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1285,1289, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 86 PRO HD3 86 PRO HG2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1286,1288, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 86 PRO HD3 86 PRO HG3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1286,1289, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 86 PRO QB 87 THR HN 1.80 4.22
&rst
ixpk= 0, nxpk= 0, iat= -1,1298, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr1=1291,1292,
&end
#
# 86 PRO QB 87 THR QG2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
igr1=1291,1292,
igr2=1304,1305,1306,
&end
#
# 86 PRO QD 86 PRO QB 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1285,1286,
igr2=1291,1292,
&end
#
# 86 PRO QD 86 PRO QG 1.80 3.02
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
igr1=1285,1286,
igr2=1288,1289,
&end
#
# 86 PRO QG 87 THR QG2 1.80 4.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1=1288,1289,
igr2=1304,1305,1306,
&end
#
# 87 THR HA 87 THR QG2 1.80 3.07
&rst
ixpk= 0, nxpk= 0, iat=1300, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1304,1305,1306,
&end
#
# 87 THR HB 88 ILE HN 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1302,1312, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85, &end
#
# 87 THR HB 88 ILE QD1 1.80 4.45
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr2=1325,1326,1327,
&end
#
# 87 THR HB 88 ILE QG1 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat=1302, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2=1322,1323,
&end
#
# 87 THR HN 87 THR QG2 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1298, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1304,1305,1306,
&end
#
# 87 THR HN 88 ILE HN 1.80 3.25
&rst
ixpk= 0, nxpk= 0, iat=1298,1312, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 87 THR QG2 88 ILE HN 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat= -1,1312, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr1=1304,1305,1306,
&end
#
# 88 ILE HA 88 ILE HG12 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1314,1322, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 88 ILE HA 88 ILE HG13 1.80 3.99
&rst
ixpk= 0, nxpk= 0, iat=1314,1323, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 88 ILE HA 88 ILE QD1 1.80 3.68
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2=1325,1326,1327,
&end
#
# 88 ILE HA 88 ILE QG1 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1322,1323,
&end
#
# 88 ILE HA 88 ILE QG2 1.80 3.24
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2=1318,1319,1320,
&end
#
# 88 ILE HA 89 LYS+ HN 1.80 2.95
&rst
ixpk= 0, nxpk= 0, iat=1314,1331, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 88 ILE HA 89 LYS+ QB 1.80 4.17
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1335,1336,
&end
#
# 88 ILE HA 89 LYS+ QG 1.80 4.57
&rst
ixpk= 0, nxpk= 0, iat=1314, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1338,1339,
&end
#
# 88 ILE HB 88 ILE QD1 1.80 3.35
&rst
ixpk= 0, nxpk= 0, iat=1316, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2=1325,1326,1327,
&end
#
# 88 ILE HB 89 LYS+ HN 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1316,1331, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 88 ILE HN 88 ILE HB 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1312,1316, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 88 ILE HN 88 ILE HG12 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1312,1322, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 88 ILE HN 88 ILE HG13 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1312,1323, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 88 ILE HN 88 ILE QD1 1.80 4.66
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
igr2=1325,1326,1327,
&end
#
# 88 ILE HN 88 ILE QG1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1322,1323,
&end
#
# 88 ILE HN 88 ILE QG2 1.80 4.15
&rst
ixpk= 0, nxpk= 0, iat=1312, -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
igr2=1318,1319,1320,
&end
#
# 88 ILE QD1 89 LYS+ HN 1.80 4.46
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr1=1325,1326,1327,
&end
#
# 88 ILE QG2 88 ILE QG1 1.80 3.21
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
igr1=1318,1319,1320,
igr2=1322,1323,
&end
#
# 88 ILE QG2 89 LYS+ HN 1.80 3.65
&rst
ixpk= 0, nxpk= 0, iat= -1,1331, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ HA 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat= -1,1367, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ HB2 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1369, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ HB3 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat= -1,1370, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ HE2 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1378, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ HE3 1.80 4.59
&rst
ixpk= 0, nxpk= 0, iat= -1,1379, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ HN 1.80 3.96
&rst
ixpk= 0, nxpk= 0, iat= -1,1365, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
igr1=1318,1319,1320,
&end
#
# 88 ILE QG2 91 LYS+ QD 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr1=1318,1319,1320,
igr2=1375,1376,
&end
#
# 89 LYS+ HA 89 LYS+ QD 1.80 3.83
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr2=1341,1342,
&end
#
# 89 LYS+ HA 89 LYS+ QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1333, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1338,1339,
&end
#
# 89 LYS HA 90 ASP HN 1.80 2.50
&rst
ixpk= 0, nxpk= 0, iat=1333,1353, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, &end
#
# 89 LYS+ HA 90 ASP- HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1333,1353, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 89 LYS+ HN 89 LYS+ HG2 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1331,1338, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 89 LYS+ HN 89 LYS+ HG3 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1331,1339, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 89 LYS+ HN 89 LYS+ QB 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2=1335,1336,
&end
#
# 89 LYS+ HN 89 LYS+ QG 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1331, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2=1338,1339,
&end
#
# 89 LYS+ QB 90 ASP- HN 1.80 4.19
&rst
ixpk= 0, nxpk= 0, iat= -1,1353, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr1=1335,1336,
&end
#
# 89 LYS+ QG 89 LYS+ QE 1.80 3.31
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
igr1=1338,1339,
igr2=1344,1345,
&end
#
# 90 ASP- HA 91 LYS+ HN 1.80 3.54
&rst
ixpk= 0, nxpk= 0, iat=1355,1365, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04, &end
#
# 90 ASP HN 90 ASP HA 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat=1353,1355, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 90 ASP- HN 91 LYS+ HN 1.80 3.75
&rst
ixpk= 0, nxpk= 0, iat=1353,1365, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25, &end
#
# 91 LYS+ HA 91 LYS+ HD2 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1367,1375, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 91 LYS+ HA 91 LYS+ HD3 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat=1367,1376, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82, &end
#
# 91 LYS+ HA 91 LYS+ QD 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2=1375,1376,
&end
#
# 91 LYS+ HA 91 LYS+ QG 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat=1367, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2=1372,1373,
&end
#
# 91 LYS+ HA 92 PRO HD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1367,1388, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 91 LYS+ HA 92 PRO HD3 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1367,1389, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 91 LYS+ HB2 92 PRO QD 1.80 4.96
&rst
ixpk= 0, nxpk= 0, iat=1369, -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
igr2=1388,1389,
&end
#
# 91 LYS+ HB3 93 VAL QG1 1.80 3.95
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
igr2=1407,1408,1409,
&end
#
# 91 LYS+ HB3 93 VAL QG2 1.80 4.98
&rst
ixpk= 0, nxpk= 0, iat=1370, -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
igr2=1411,1412,1413,
&end
#
# 91 LYS+ HN 91 LYS+ HB2 1.80 3.51
&rst
ixpk= 0, nxpk= 0, iat=1365,1369, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01, &end
#
# 91 LYS+ HN 91 LYS+ HB3 1.80 3.44
&rst
ixpk= 0, nxpk= 0, iat=1365,1370, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 91 LYS+ HN 91 LYS+ QG 1.80 4.14
&rst
ixpk= 0, nxpk= 0, iat=1365, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2=1372,1373,
&end
#
# 91 LYS+ QD 92 PRO QD 1.80 3.58
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr1=1375,1376,
igr2=1388,1389,
&end
#
# 91 LYS+ QD 93 VAL QG1 1.80 4.38
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
igr1=1375,1376,
igr2=1407,1408,1409,
&end
#
# 91 LYS+ QG 92 PRO HD2 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1388, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1372,1373,
&end
#
# 91 LYS+ QG 92 PRO HD3 1.80 3.89
&rst
ixpk= 0, nxpk= 0, iat= -1,1389, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr1=1372,1373,
&end
#
# 91 LYS+ QG 92 PRO QD 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
igr1=1372,1373,
igr2=1388,1389,
&end
#
# 91 LYS+ QG 93 VAL QG1 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
igr1=1372,1373,
igr2=1407,1408,1409,
&end
#
# 92 PRO HB2 93 VAL HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1394,1401, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 92 PRO HB3 93 VAL HN 1.80 4.84
&rst
ixpk= 0, nxpk= 0, iat=1395,1401, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34, &end
#
# 92 PRO HD2 92 PRO QG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1388, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1391,1392,
&end
#
# 92 PRO HD3 92 PRO QG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1389, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr2=1391,1392,
&end
#
# 92 PRO QB 93 VAL HN 1.80 4.11
&rst
ixpk= 0, nxpk= 0, iat= -1,1401, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr1=1394,1395,
&end
#
# 92 PRO QD 92 PRO QB 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1388,1389,
igr2=1394,1395,
&end
#
# 92 PRO QD 92 PRO QG 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr1=1388,1389,
igr2=1391,1392,
&end
#
# 93 VAL HA 93 VAL QG1 1.80 3.72
&rst
ixpk= 0, nxpk= 0, iat=1403, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2=1407,1408,1409,
&end
#
# 93 VAL HA 94 GLN HN 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat=1403,1417, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 93 VAL HB 94 GLN HN 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1405,1417, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 93 VAL HB 95 ILE QD1 1.80 4.52
&rst
ixpk= 0, nxpk= 0, iat=1405, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2=1447,1448,1449,
&end
#
# 93 VAL HN 93 VAL QG1 1.80 3.90
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1407,1408,1409,
&end
#
# 93 VAL HN 93 VAL QG2 1.80 3.37
&rst
ixpk= 0, nxpk= 0, iat=1401, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2=1411,1412,1413,
&end
#
# 93 VAL QG1 94 GLN HN 1.80 4.00
&rst
ixpk= 0, nxpk= 0, iat= -1,1417, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1=1407,1408,1409,
&end
#
# 93 VAL QG2 95 ILE QD1 1.80 3.19
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr1=1411,1412,1413,
igr2=1447,1448,1449,
&end
#
# 93 VAL QG2 95 ILE QG1 1.80 4.09
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
igr1=1411,1412,1413,
igr2=1444,1445,
&end
#
# 94 GLN HA 94 GLN HG2 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1419,1424, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 94 GLN HA 94 GLN HG3 1.80 4.07
&rst
ixpk= 0, nxpk= 0, iat=1419,1425, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57, &end
#
# 94 GLN HA 94 GLN QG 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1419, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1424,1425,
&end
#
# 94 GLN HA 95 ILE HB 1.80 4.97
&rst
ixpk= 0, nxpk= 0, iat=1419,1438, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47, &end
#
# 94 GLN HA 95 ILE HN 1.80 3.34
&rst
ixpk= 0, nxpk= 0, iat=1419,1434, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 94 GLN HG2 95 ILE HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1424,1434, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 94 GLN HG3 95 ILE HN 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat=1425,1434, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71, &end
#
# 94 GLN HN 94 GLN HB2 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1417,1421, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 94 GLN HN 94 GLN HB3 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1417,1422, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, &end
#
# 95 ILE HA 95 ILE QD1 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
igr2=1447,1448,1449,
&end
#
# 95 ILE HA 95 ILE QG2 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1436, -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
igr2=1440,1441,1442,
&end
#
# 95 ILE HA 96 ARG+ HN 1.80 3.27
&rst
ixpk= 0, nxpk= 0, iat=1436,1453, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77, &end
#
# 95 ILE HB 95 ILE QD1 1.80 3.53
&rst
ixpk= 0, nxpk= 0, iat=1438, -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
igr2=1447,1448,1449,
&end
#
# 95 ILE HN 95 ILE HB 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1434,1438, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 95 ILE HN 95 ILE HG12 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1434,1444, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 95 ILE HN 95 ILE HG13 1.80 4.29
&rst
ixpk= 0, nxpk= 0, iat=1434,1445, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79, &end
#
# 95 ILE HN 95 ILE QD1 1.80 4.28
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2=1447,1448,1449,
&end
#
# 95 ILE HN 95 ILE QG1 1.80 3.71
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2=1444,1445,
&end
#
# 95 ILE HN 95 ILE QG2 1.80 4.27
&rst
ixpk= 0, nxpk= 0, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
igr2=1440,1441,1442,
&end
#
# 95 ILE QD1 96 ARG+ HN 1.80 4.06
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr1=1447,1448,1449,
&end
#
# 95 ILE QG2 95 ILE HG12 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1444, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 95 ILE HG13 1.80 3.60
&rst
ixpk= 0, nxpk= 0, iat= -1,1445, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 95 ILE QG1 1.80 3.12
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
igr1=1440,1441,1442,
igr2=1444,1445,
&end
#
# 95 ILE QG2 96 ARG+ HA 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat= -1,1455, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 96 ARG+ HN 1.80 3.77
&rst
ixpk= 0, nxpk= 0, iat= -1,1453, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 97 PRO HA 1.80 4.32
&rst
ixpk= 0, nxpk= 0, iat= -1,1487, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 97 PRO HD2 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1478, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 97 PRO HD3 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1479, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr1=1440,1441,1442,
&end
#
# 95 ILE QG2 97 PRO QD 1.80 3.43
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
igr1=1440,1441,1442,
igr2=1478,1479,
&end
#
# 95 ILE QG2 97 PRO QG 1.80 3.80
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
igr1=1440,1441,1442,
igr2=1481,1482,
&end
#
# 96 ARG+ HA 96 ARG+ HD2 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1455,1463, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 96 ARG+ HA 96 ARG+ HD3 1.80 4.94
&rst
ixpk= 0, nxpk= 0, iat=1455,1464, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 96 ARG+ HA 96 ARG+ HG2 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1455,1460, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 96 ARG+ HA 96 ARG+ HG3 1.80 4.16
&rst
ixpk= 0, nxpk= 0, iat=1455,1461, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66, &end
#
# 96 ARG+ HA 96 ARG+ QD 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
igr2=1463,1464,
&end
#
# 96 ARG+ HA 96 ARG+ QG 1.80 3.48
&rst
ixpk= 0, nxpk= 0, iat=1455, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1460,1461,
&end
#
# 96 ARG+ HA 97 PRO HD2 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1455,1478, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 96 ARG+ HA 97 PRO HD3 1.80 3.32
&rst
ixpk= 0, nxpk= 0, iat=1455,1479, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82, &end
#
# 96 ARG+ HA 97 PRO HG2 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1455,1481, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 96 ARG+ HA 97 PRO HG3 1.80 4.86
&rst
ixpk= 0, nxpk= 0, iat=1455,1482, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36, &end
#
# 96 ARG+ HN 96 ARG+ HG2 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1453,1460, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 96 ARG+ HN 96 ARG+ HG3 1.80 4.74
&rst
ixpk= 0, nxpk= 0, iat=1453,1461, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24, &end
#
# 96 ARG+ HN 96 ARG+ QG 1.80 3.93
&rst
ixpk= 0, nxpk= 0, iat=1453, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr2=1460,1461,
&end
#
# 96 ARG+ QB 96 ARG+ QD 1.80 3.28
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr1=1457,1458,
igr2=1463,1464,
&end
#
# 96 ARG+ QB 97 PRO QD 1.80 4.53
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
igr1=1457,1458,
igr2=1478,1479,
&end
#
# 97 PRO HA 97 PRO QG 1.80 3.70
&rst
ixpk= 0, nxpk= 0, iat=1487, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2=1481,1482,
&end
#
# 97 PRO HA 98 TRP HN 1.80 3.55
&rst
ixpk= 0, nxpk= 0, iat=1487,1491, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 97 PRO HB2 98 TRP HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1484,1491, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 97 PRO HB3 98 TRP HN 1.80 4.49
&rst
ixpk= 0, nxpk= 0, iat=1485,1491, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99, &end
#
# 97 PRO QD 97 PRO QG 1.80 3.20
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
igr1=1478,1479,
igr2=1481,1482,
&end
#
# 98 TRP HA 98 TRP HD1 1.80 4.61
&rst
ixpk= 0, nxpk= 0, iat=1493,1499, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 98 TRP HA 98 TRP HE3 1.80 3.92
&rst
ixpk= 0, nxpk= 0, iat=1493,1510, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 98 TRP HN 98 TRP HB2 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1491,1495, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 98 TRP HN 98 TRP HB3 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat=1491,1496, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 99 ASN QB 100 LEU HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1529, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1519,1520,
&end
#
# 99 ASN QB 99 ASN QD2 1.80 3.22
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr1=1519,1520,
igr2=1524,1525,
&end
#
# 100 LEU HA 100 LEU HG 1.80 3.79
&rst
ixpk= 0, nxpk= 0, iat=1531,1536, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29, &end
#
# 100 LEU HA 100 LEU QD1 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1538,1539,1540,
&end
#
# 100 LEU HA 100 LEU QD2 1.80 3.82
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
igr2=1542,1543,1544,
&end
#
# 100 LEU HA 100 LEU QQD 1.80 3.30
&rst
ixpk= 0, nxpk= 0, iat=1531, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2=1538,1539,1540,1542,1543,1544,
&end
#
# 100 LEU HN 100 LEU HA 2.50 100.0
&rst
ixpk= 0, nxpk= 0, iat=1529,1531, r1= 2.00, r2= 2.50, r3=100.00, r4=100.50, &end
#
# 100 LEU HN 100 LEU HG 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat=1529,1536, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 100 LEU HN 100 LEU QB 1.80 3.57
&rst
ixpk= 0, nxpk= 0, iat=1529, -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
igr2=1533,1534,
&end
#
# 102 ASP- HA 103 SER HN 1.80 3.45
&rst
ixpk= 0, nxpk= 0, iat=1561,1571, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 102 ASP- QB 103 SER HN 1.80 4.41
&rst
ixpk= 0, nxpk= 0, iat= -1,1571, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1=1563,1564,
&end
#
# 104 ASP- HA 105 PHE HN 1.80 3.29
&rst
ixpk= 0, nxpk= 0, iat=1584,1594, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 104 ASP- HB2 105 PHE HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1586,1594, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 104 ASP- HB3 105 PHE HN 1.80 4.65
&rst
ixpk= 0, nxpk= 0, iat=1587,1594, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15, &end
#
# 104 ASP- HN 104 ASP- HB2 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1582,1586, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 104 ASP- HN 104 ASP- HB3 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1582,1587, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 104 ASP- HN 104 ASP- QB 1.80 3.46
&rst
ixpk= 0, nxpk= 0, iat=1582, -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
igr2=1586,1587,
&end
#
# 104 ASP- HN 105 PHE HN 1.80 4.18
&rst
ixpk= 0, nxpk= 0, iat=1582,1594, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68, &end
#
# 104 ASP- QB 105 PHE HN 1.80 3.87
&rst
ixpk= 0, nxpk= 0, iat= -1,1594, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr1=1586,1587,
&end
#
# 105 PHE HA 105 PHE QD 1.80 3.84
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2=1602,1610,
&end
#
# 105 PHE HA 106 VAL HB 1.80 5.01
&rst
ixpk= 0, nxpk= 0, iat=1596,1618, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51, &end
#
# 105 PHE HA 106 VAL HN 1.80 3.04
&rst
ixpk= 0, nxpk= 0, iat=1596,1614, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54, &end
#
# 105 PHE HA 106 VAL QQG 1.80 4.35
&rst
ixpk= 0, nxpk= 0, iat=1596, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2=1620,1621,1622,1624,1625,1626,
&end
#
# 105 PHE HB2 106 VAL HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1598,1614, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 105 PHE HB3 106 VAL HN 1.80 4.71
&rst
ixpk= 0, nxpk= 0, iat=1599,1614, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21, &end
#
# 105 PHE HN 105 PHE HB2 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1594,1598, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 105 PHE HN 105 PHE HB3 1.80 3.73
&rst
ixpk= 0, nxpk= 0, iat=1594,1599, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23, &end
#
# 105 PHE HN 105 PHE QB 1.80 3.09
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
igr2=1598,1599,
&end
#
# 105 PHE HN 105 PHE QD 1.80 4.08
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
igr2=1602,1610,
&end
#
# 105 PHE HN 106 VAL QQG 1.80 5.44
&rst
ixpk= 0, nxpk= 0, iat=1594, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2=1620,1621,1622,1624,1625,1626,
&end
#
# 105 PHE QB 106 VAL HN 1.80 3.97
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr1=1598,1599,
&end
#
# 105 PHE QB 106 VAL QQG 1.80 4.60
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
igr1=1598,1599,
igr2=1620,1621,1622,1624,1625,1626,
&end
#
# 105 PHE QD 106 VAL HN 1.80 4.69
&rst
ixpk= 0, nxpk= 0, iat= -1,1614, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr1=1602,1610,
&end
#
# 106 VAL HA 106 VAL QG1 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1620,1621,1622,
&end
#
# 106 VAL HA 106 VAL QG2 1.80 3.50
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2=1624,1625,1626,
&end
#
# 106 VAL HA 106 VAL QQG 1.80 2.90
&rst
ixpk= 0, nxpk= 0, iat=1616, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2=1620,1621,1622,1624,1625,1626,
&end
#
# 106 VAL HA 107 MET HN 1.80 3.15
&rst
ixpk= 0, nxpk= 0, iat=1616,1630, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, &end
#
# 106 VAL HN 106 VAL HB 1.80 3.64
&rst
ixpk= 0, nxpk= 0, iat=1614,1618, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 106 VAL HN 106 VAL QG1 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1620,1621,1622,
&end
#
# 106 VAL HN 106 VAL QG2 1.80 3.98
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
igr2=1624,1625,1626,
&end
#
# 106 VAL HN 106 VAL QQG 1.80 3.47
&rst
ixpk= 0, nxpk= 0, iat=1614, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2=1620,1621,1622,1624,1625,1626,
&end
#
# 106 VAL QG1 107 MET HA 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1620,1621,1622,
&end
#
# 106 VAL QG2 107 MET HA 1.80 5.15
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
igr1=1624,1625,1626,
&end
#
# 106 VAL QQG 107 MET HA 1.80 4.21
&rst
ixpk= 0, nxpk= 0, iat= -1,1632, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
igr1=1620,1621,1622,1624,1625,1626,
&end
#
# 106 VAL QQG 107 MET HN 1.80 4.04
&rst
ixpk= 0, nxpk= 0, iat= -1,1630, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr1=1620,1621,1622,1624,1625,1626,
&end
#
# 107 MET HA 107 MET QE 1.80 5.50
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr2=1641,1642,1643,
&end
#
# 107 MET HA 107 MET QG 1.80 3.62
&rst
ixpk= 0, nxpk= 0, iat=1632, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2=1637,1638,
&end
#
# 107 MET HN 107 MET QB 1.80 3.49
&rst
ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
igr2=1634,1635,
&end
#
# 107 MET HN 107 MET QG 1.80 4.39
&rst
ixpk= 0, nxpk= 0, iat=1630, -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
igr2=1637,1638,
&end
#
# 107 MET QB 108 ASP- HN 1.80 4.34
&rst
ixpk= 0, nxpk= 0, iat= -1,1647, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
igr1=1634,1635,
&end
#
# 108 ASP- HB2 109 SER HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1651,1659, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 108 ASP- HB3 109 SER HN 1.80 5.26
&rst
ixpk= 0, nxpk= 0, iat=1652,1659, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76, &end
#
# 110 GLY QA 111 PRO QD 1.80 2.92
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
igr1=1672,1673,
igr2=1678,1679,
&end
# 1719 atoms read from pdb file leap.pdb.
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