NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
527929 |
2l9i   |
17458 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 2 SER HN 2 SER HA 5.92546 (# 119 8.150 4.483 9.426 28.803 SER 1 HN SER 1 HA 0.494E+07)
&rst
ixpk= 119, nxpk= 0, iat= 8, 10, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 2 SER HN 2 SER HB+ 6.10253 (# 246 8.150 3.979 8.723 12.488 SER 1 HN SER 1 HB+ 0.414E+07)
&rst
ixpk= 246, nxpk= 0, iat= 8, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr2= 12, 13,
&end
#
# 2 SER HN 3 ASP HN 4.94634 (# 224 8.147 8.470 8.311 14.189 SER 1 HN ASP 2 HN 0.146E+08)
&rst
ixpk= 224, nxpk= 0, iat= 8, 19, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45, &end
#
# 3 ASP HA 6 VAL QG1 4.78863 (# 433 4.670 0.999 20.283 18.627 ASP 2 HA VAL 5 QG1 1.77333e+07)
&rst
ixpk= 433, nxpk= 0, iat= 21, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 57, 58, 59,
&end
#
# 3 ASP HN 2 SER HA 4.10175 (# 50 8.465 4.492 16.738 20.070 ASP 2 HN SER 1 HA 0.449E+08)
&rst
ixpk= 50, nxpk= 0, iat= 19, 10, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60, &end
#
# 3 ASP HN 2 SER HB+ 5.29701 (# 237 8.469 3.980 11.469 19.400 ASP 2 HN SER 1 HB+ 0.968E+07)
&rst
ixpk= 237, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
igr2= 12, 13,
&end
#
# 3 ASP HN 2 SER HB- 6.06408 (# 238 8.469 3.888 12.713 12.041 ASP 2 HN SER 1 HB- 0.430E+07)
&rst
ixpk= 238, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr2= 12, 13,
&end
#
# 3 ASP HN 3 ASP HA 5.60177 (# 239 8.463 4.671 6.139 18.873 ASP 2 HN ASP 2 HA 0.692E+07)
&rst
ixpk= 239, nxpk= 0, iat= 19, 21, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 3 ASP HN 3 ASP HB- 4.2046 (# 52 8.467 2.769 12.008 22.887 ASP 2 HN ASP 2 HB- 0.387E+08)
&rst
ixpk= 52, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
igr2= 23, 24,
&end
#
# 3 ASP HN 3 ASP HB+ 4.30267 (# 51 8.469 2.819 13.699 20.740 ASP 2 HN ASP 2 HB+ 0.337E+08)
&rst
ixpk= 51, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 23, 24,
&end
#
# 3 ASP HN 4 ALA QB 8.50907 (# 256 8.464 1.469 15.658 18.979 ASP 2 HN ALA 3 QB 563333)
&rst
ixpk= 256, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3=10.22, r4=10.72,
igr2= 35, 36, 37,
&end
#
# 3 ASP HN 6 VAL QG2 8.50071 (# 447 8.465 1.032 4.789 10.750 ASP 2 HN VAL 5 QG2 566667)
&rst
ixpk= 447, nxpk= 0, iat= 19, -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
igr2= 61, 62, 63,
&end
#
# 4 ALA HA 3 ASP HB- 4.77232 (# 352 4.336 2.830 15.471 22.406 ALA 3 HA ASP 2 HB- 0.181E+08)
&rst
ixpk= 352, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
igr2= 23, 24,
&end
#
# 4 ALA HA 4 ALA QB 4.3669 (# 353 4.324 1.470 12.760 10.645 ALA 3 HA ALA 3 QB 3.08333e+07)
&rst
ixpk= 353, nxpk= 0, iat= 33, -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
igr2= 35, 36, 37,
&end
#
# 4 ALA HN 3 ASP HB- 4.6302 (# 128 8.127 2.775 13.193 19.707 ALA 3 HN ASP 2 HB- 0.217E+08)
&rst
ixpk= 128, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
igr2= 23, 24,
&end
#
# 4 ALA HN 3 ASP HB+ 5.11782 (# 286 8.127 2.815 13.357 17.160 ALA 3 HN ASP 2 HB+ 0.119E+08)
&rst
ixpk= 286, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 23, 24,
&end
#
# 4 ALA HN 3 ASP HN 4.22298 (# 25 8.125 8.470 11.328 16.373 ALA 3 HN ASP 2 HN 0.377E+08)
&rst
ixpk= 25, nxpk= 0, iat= 31, 19, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 4 ALA HN 4 ALA HA 3.2855 (# 127 8.127 4.334 9.004 16.900 ALA 3 HN ALA 3 HA 0.170E+09)
&rst
ixpk= 127, nxpk= 0, iat= 31, 33, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 4 ALA HN 4 ALA QB 3.87321 (# 129 8.125 1.466 7.348 14.930 ALA 3 HN ALA 3 QB 6.33333E+07)
&rst
ixpk= 129, nxpk= 0, iat= 31, -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
igr2= 35, 36, 37,
&end
#
# 5 ALA HA 5 ALA QB 3.57553 (# 351 4.358 1.488 17.689 13.674 ALA 4 HA ALA 4 QB 1.02333e+08)
&rst
ixpk= 351, nxpk= 0, iat= 43, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 45, 46, 47,
&end
#
# 5 ALA HN 5 ALA HA 3.23952 (# 130 8.116 4.349 8.334 20.857 ALA 4 HN ALA 4 HA 0.185E+09)
&rst
ixpk= 130, nxpk= 0, iat= 41, 43, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 5 ALA HN 5 ALA QB 3.74105 (# 131 8.116 1.486 9.180 14.930 ALA 4 HN ALA 4 QB 78000000)
&rst
ixpk= 131, nxpk= 0, iat= 41, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2= 45, 46, 47,
&end
#
# 5 ALA HN 6 VAL HN 3.64884 (# 27 8.115 7.841 17.043 19.365 ALA 4 HN VAL 5 HN 0.906E+08)
&rst
ixpk= 27, nxpk= 0, iat= 41, 51, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 6 VAL HA 6 VAL HB 3.45826 (# 411 4.089 2.172 15.904 25.775 VAL 5 HA VAL 5 HB 0.125E+09)
&rst
ixpk= 411, nxpk= 0, iat= 53, 55, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 6 VAL HA 6 VAL QG1 4.10022 (# 413 4.089 0.999 15.084 12.512 VAL 5 HA VAL 5 QG1 45000000)
&rst
ixpk= 413, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
igr2= 57, 58, 59,
&end
#
# 6 VAL HA 6 VAL QG2 4.17001 (# 412 4.090 1.027 11.891 15.023 VAL 5 HA VAL 5 QG2 4.06667e+07)
&rst
ixpk= 412, nxpk= 0, iat= 53, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 61, 62, 63,
&end
#
# 6 VAL HB 6 VAL QG1 3.5204 (# 514 2.174 0.999 29.273 17.195 VAL 5 HB VAL 5 QG1 1.12333e+08)
&rst
ixpk= 514, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 57, 58, 59,
&end
#
# 6 VAL HB 6 VAL QG2 4.79013 (# 513 2.172 1.045 23.875 11.654 VAL 5 HB VAL 5 QG2 17700000)
&rst
ixpk= 513, nxpk= 0, iat= 55, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr2= 61, 62, 63,
&end
#
# 6 VAL HN 4 ALA QB 6.48678 (# 284 7.840 1.461 8.053 7.123 VAL 5 HN ALA 3 QB 2870000)
&rst
ixpk= 284, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 35, 36, 37,
&end
#
# 6 VAL HN 5 ALA HA 3.4966 (# 194 7.838 4.355 15.541 23.604 VAL 5 HN ALA 4 HA 0.117E+09)
&rst
ixpk= 194, nxpk= 0, iat= 51, 43, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 6 VAL HN 5 ALA HN 3.82852 (# 46 7.843 8.118 15.846 18.275 VAL 5 HN ALA 4 HN 0.679E+08)
&rst
ixpk= 46, nxpk= 0, iat= 51, 41, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 6 VAL HN 5 ALA QB 4.6962 (# 197 7.843 1.488 16.527 19.531 VAL 5 HN ALA 4 QB 1.99333E+07)
&rst
ixpk= 197, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 45, 46, 47,
&end
#
# 6 VAL HN 6 VAL HA 3.8705 (# 198 7.838 4.089 10.588 16.385 VAL 5 HN VAL 5 HA 0.636E+08)
&rst
ixpk= 198, nxpk= 0, iat= 51, 53, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 6 VAL HN 6 VAL HB 3.49164 (# 196 7.842 2.173 16.621 27.066 VAL 5 HN VAL 5 HB 0.118E+09)
&rst
ixpk= 196, nxpk= 0, iat= 51, 55, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 6 VAL HN 6 VAL QG1 5.23684 (# 480 7.840 0.997 14.156 11.033 VAL 5 HN VAL 5 QG1 1.03667e+07)
&rst
ixpk= 480, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
igr2= 57, 58, 59,
&end
#
# 6 VAL HN 6 VAL QG2 4.25559 (# 479 7.844 1.027 20.225 14.602 VAL 5 HN VAL 5 QG2 36000000)
&rst
ixpk= 479, nxpk= 0, iat= 51, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 61, 62, 63,
&end
#
# 6 VAL HN 7 ASP HN 3.81921 (# 45 7.843 8.370 16.457 18.463 VAL 5 HN ASP 6 HN 0.689E+08)
&rst
ixpk= 45, nxpk= 0, iat= 51, 67, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32, &end
#
# 6 VAL HN 8 THR HN 8.61783 (# 233 7.838 8.246 12.502 14.941 VAL 5 HN THR 7 HN 0.522E+06)
&rst
ixpk= 233, nxpk= 0, iat= 51, 79, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12, &end
#
# 7 ASP HB- 6 VAL QG2 7.33764 (# 551 2.834 1.020 7.008 14.061 ASP 6 HB- VAL 5 QG2 1370000)
&rst
ixpk= 551, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
igr1= 71, 72,
igr2= 61, 62, 63,
&end
#
# 7 ASP HN 3 ASP HA 5.21746 (# 244 8.366 4.678 8.451 15.234 ASP 6 HN ASP 2 HA 0.106E+08)
&rst
ixpk= 244, nxpk= 0, iat= 67, 21, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72, &end
#
# 7 ASP HN 4 ALA HA 4.93514 (# 243 8.368 4.338 10.916 24.367 ASP 6 HN ALA 3 HA 0.148E+08)
&rst
ixpk= 243, nxpk= 0, iat= 67, 33, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44, &end
#
# 7 ASP HN 4 ALA QB 7.98755 (# 265 8.367 1.463 6.762 6.842 ASP 6 HN ALA 3 QB 823333)
&rst
ixpk= 265, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,
igr2= 35, 36, 37,
&end
#
# 7 ASP HN 5 ALA HN 5.11782 (# 234 8.367 8.116 10.283 16.900 ASP 6 HN ALA 4 HN 0.119E+08)
&rst
ixpk= 234, nxpk= 0, iat= 67, 41, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62, &end
#
# 7 ASP HN 5 ALA QB 6.41901 (# 263 8.367 1.487 11.797 14.318 ASP 6 HN ALA 4 QB 3.05667E+06)
&rst
ixpk= 263, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2= 45, 46, 47,
&end
#
# 7 ASP HN 6 VAL HA 3.21398 (# 60 8.369 4.086 14.180 22.090 ASP 6 HN VAL 5 HA 0.194E+09)
&rst
ixpk= 60, nxpk= 0, iat= 67, 53, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 7 ASP HN 6 VAL HB 3.86847 (# 63 8.368 2.174 14.039 27.242 ASP 6 HN VAL 5 HB 0.638E+08)
&rst
ixpk= 63, nxpk= 0, iat= 67, 55, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37, &end
#
# 7 ASP HN 6 VAL HN 3.71227 (# 6 8.370 7.842 14.131 19.365 ASP 6 HN VAL 5 HN 0.817E+08)
&rst
ixpk= 6, nxpk= 0, iat= 67, 51, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21, &end
#
# 7 ASP HN 6 VAL QG1 4.85307 (# 450 8.367 0.999 13.746 23.051 ASP 6 HN VAL 5 QG1 1.63667e+07)
&rst
ixpk= 450, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
igr2= 57, 58, 59,
&end
#
# 7 ASP HN 6 VAL QG2 5.29822 (# 449 8.367 1.029 13.746 14.506 ASP 6 HN VAL 5 QG2 9.66667e+06)
&rst
ixpk= 449, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr2= 61, 62, 63,
&end
#
# 7 ASP HN 7 ASP HA 4.27765 (# 59 8.366 4.750 9.426 17.699 ASP 6 HN ASP 6 HA 0.349E+08)
&rst
ixpk= 59, nxpk= 0, iat= 67, 69, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78, &end
#
# 7 ASP HN 7 ASP HB- 3.51177 (# 62 8.368 2.833 14.039 30.363 ASP 6 HN ASP 6 HB- 0.114E+09)
&rst
ixpk= 62, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 71, 72,
&end
#
# 7 ASP HN 7 ASP HB+ 3.62075 (# 61 8.368 2.911 14.180 30.363 ASP 6 HN ASP 6 HB+ 0.949E+08)
&rst
ixpk= 61, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 71, 72,
&end
#
# 7 ASP HN 8 THR HN 3.29526 (# 5 8.366 8.247 17.479 24.660 ASP 6 HN THR 7 HN 0.167E+09)
&rst
ixpk= 5, nxpk= 0, iat= 67, 79, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 7 ASP HN 8 THR QG2 8.04276 (# 264 8.368 1.315 8.604 12.453 ASP 6 HN THR 7 QG2 790000)
&rst
ixpk= 264, nxpk= 0, iat= 67, -1, r1= 1.30, r2= 1.80, r3= 9.66, r4=10.16,
igr2= 85, 86, 87,
&end
#
# 8 THR HA 8 THR QG2 3.48026 (# 327 4.425 1.314 21.387 23.838 THR 7 HA THR 7 QG2 1.20333E+08)
&rst
ixpk= 327, nxpk= 0, iat= 81, -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
igr2= 85, 86, 87,
&end
#
# 8 THR HB 8 THR QG2 4.01997 (# 360 4.291 1.315 15.705 18.439 THR 7 HB THR 7 QG2 5.06667e+07)
&rst
ixpk= 360, nxpk= 0, iat= 83, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 85, 86, 87,
&end
#
# 8 THR HN 4 ALA HA 4.17115 (# 85 8.245 4.358 10.588 23.756 THR 7 HN ALA 3 HA 0.406E+08)
&rst
ixpk= 85, nxpk= 0, iat= 79, 33, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67, &end
#
# 8 THR HN 6 VAL HN 5.44222 (# 232 8.244 7.839 6.844 17.312 THR 7 HN VAL 5 HN 0.823E+07)
&rst
ixpk= 232, nxpk= 0, iat= 79, 51, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94, &end
#
# 8 THR HN 7 ASP HA 3.77743 (# 82 8.245 4.751 15.541 22.770 THR 7 HN ASP 6 HA 0.736E+08)
&rst
ixpk= 82, nxpk= 0, iat= 79, 69, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28, &end
#
# 8 THR HN 7 ASP HB- 3.96177 (# 92 8.246 2.836 17.184 24.484 THR 7 HN ASP 6 HB- 0.553E+08)
&rst
ixpk= 92, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
igr2= 71, 72,
&end
#
# 8 THR HN 7 ASP HB+ 4.32653 (# 91 8.245 2.910 14.730 29.719 THR 7 HN ASP 6 HB+ 0.326E+08)
&rst
ixpk= 91, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
igr2= 71, 72,
&end
#
# 8 THR HN 7 ASP HN 4.07934 (# 12 8.247 8.368 12.289 18.439 THR 7 HN ASP 6 HN 0.464E+08)
&rst
ixpk= 12, nxpk= 0, iat= 79, 67, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58, &end
#
# 8 THR HN 8 THR HA 3.6455 (# 84 8.245 4.413 15.801 21.938 THR 7 HN THR 7 HA 0.911E+08)
&rst
ixpk= 84, nxpk= 0, iat= 79, 81, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 8 THR HN 8 THR QG2 4.37243 (# 86 8.243 4.297 11.809 17.055 THR 7 HN THR 7 QG2 30600000)
&rst
ixpk= 86, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
igr2= 85, 86, 87,
&end
#
# 8 THR HN 8 THR QG2 4.57128 (# 99 8.244 1.315 15.225 20.129 THR 7 HN THR 7 QG2 2.34333E+07)
&rst
ixpk= 99, nxpk= 0, iat= 79, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 85, 86, 87,
&end
#
# 8 THR HN 9 SER HN 3.61569 (# 13 8.246 8.419 15.764 18.416 THR 7 HN SER 8 HN 0.957E+08)
&rst
ixpk= 13, nxpk= 0, iat= 79, 93, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 9 SER HA 12 ILE HY 6.49182 (# 434 4.430 1.015 13.193 11.502 SER 8 HA ILE 11 HY 2.85667e+06)
&rst
ixpk= 434, nxpk= 0, iat= 95, -1, r1= 1.30, r2= 1.80, r3= 7.80, r4= 8.30,
igr2= 134, 140, 141,
&end
#
# 9 SER HN 10 SER HN 3.32935 (# 3 8.418 8.302 14.838 21.396 SER 8 HN SER 9 HN 0.157E+09)
&rst
ixpk= 3, nxpk= 0, iat= 93, 104, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 9 SER HN 11 GLU HB+ 6.93627 (# 259 8.417 2.208 9.789 27.348 SER 8 HN GLU 10 HB+ 0.192E+07)
&rst
ixpk= 259, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,
igr2= 119, 120,
&end
#
# 9 SER HN 12 ILE HY 6.47928 (# 260 8.418 2.000 11.422 21.490 SER 8 HN ILE 11 HY 0.289E+07)
&rst
ixpk= 260, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 134, 140, 141,
&end
#
# 9 SER HN 12 ILE QD 6.39711 (# 448 8.419 0.935 8.957 18.156 SER 8 HN ILE 11 QD 0.312E+07)
&rst
ixpk= 448, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
igr2= 143, 144, 145,
&end
#
# 9 SER HN 6 VAL QG1 8.58704 (# 486 8.416 1.003 7.090 12.266 SER 8 HN VAL 5 QG1 533333)
&rst
ixpk= 486, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3=10.31, r4=10.81,
igr2= 57, 58, 59,
&end
#
# 9 SER HN 7 ASP HB- 5.94364 (# 258 8.417 2.830 11.598 40.012 SER 8 HN ASP 6 HB- 0.485E+07)
&rst
ixpk= 258, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
igr2= 71, 72,
&end
#
# 9 SER HN 7 ASP HB+ 6.41088 (# 257 8.418 2.919 11.598 28.428 SER 8 HN ASP 6 HB+ 0.308E+07)
&rst
ixpk= 257, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
igr2= 71, 72,
&end
#
# 9 SER HN 8 THR HA 4.00389 (# 53 8.417 4.413 14.754 13.062 SER 8 HN THR 7 HA 0.519E+08)
&rst
ixpk= 53, nxpk= 0, iat= 93, 81, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 9 SER HN 8 THR HN 3.30861 (# 4 8.418 8.248 15.096 21.902 SER 8 HN THR 7 HN 0.163E+09)
&rst
ixpk= 4, nxpk= 0, iat= 93, 79, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 9 SER HN 8 THR QG2 4.62902 (# 55 8.418 4.295 14.508 19.248 SER 8 HN THR 7 QG2 2.17333E+07)
&rst
ixpk= 55, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
igr2= 85, 86, 87,
&end
#
# 9 SER HN 8 THR QG2 5.62273 (# 58 8.418 1.315 13.957 18.428 SER 8 HN THR 7 QG2 6.76667E+06)
&rst
ixpk= 58, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
igr2= 85, 86, 87,
&end
#
# 9 SER HN 9 SER HA 3.47229 (# 54 8.420 4.379 18.123 16.889 SER 8 HN SER 8 HA 0.122E+09)
&rst
ixpk= 54, nxpk= 0, iat= 93, 95, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 9 SER HN 9 SER HB+ 3.50666 (# 56 8.418 4.068 14.730 19.342 SER 8 HN SER 8 HB+ 0.115E+09)
&rst
ixpk= 56, nxpk= 0, iat= 93, -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
igr2= 97, 98,
&end
#
# 10 SER HN 10 SER HA 3.61506 (# 64 8.306 4.442 14.121 19.801 SER 9 HN SER 9 HA 0.958E+08)
&rst
ixpk= 64, nxpk= 0, iat= 104, 106, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12, &end
#
# 10 SER HN 10 SER HB+ 3.34008 (# 67 8.301 4.062 12.854 20.658 SER 9 HN SER 9 HB+ 0.154E+09)
&rst
ixpk= 67, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
igr2= 108, 109,
&end
#
# 10 SER HN 10 SER HB- 3.57747 (# 68 8.301 4.004 12.432 21.525 SER 9 HN SER 9 HB- 0.102E+09)
&rst
ixpk= 68, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 108, 109,
&end
#
# 10 SER HN 8 THR QG2 5.2066 (# 66 8.299 4.298 8.428 23.240 SER 9 HN THR 7 QG2 1.07333E+07)
&rst
ixpk= 66, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 85, 86, 87,
&end
#
# 10 SER HN 8 THR QG2 7.45725 (# 267 8.301 1.315 8.945 13.428 SER 9 HN THR 7 QG2 1.24333E+06)
&rst
ixpk= 267, nxpk= 0, iat= 104, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr2= 85, 86, 87,
&end
#
# 10 SER HN 9 SER HA 3.5893 (# 65 8.301 4.378 16.234 20.658 SER 9 HN SER 8 HA 0.100E+09)
&rst
ixpk= 65, nxpk= 0, iat= 104, 95, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09, &end
#
# 10 SER HN 9 SER HN 3.4966 (# 7 8.300 8.418 16.328 18.416 SER 9 HN SER 8 HN 0.117E+09)
&rst
ixpk= 7, nxpk= 0, iat= 104, 93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 11 GLU HA 11 GLU HG- 3.74266 (# 366 4.258 2.445 23.828 24.344 GLU 10 HA GLU 10 HG- 0.778E+08)
&rst
ixpk= 366, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr2= 122, 123,
&end
#
# 11 GLU HA 11 GLU HG+ 3.95938 (# 365 4.260 2.492 20.318 27.125 GLU 10 HA GLU 10 HG+ 0.555E+08)
&rst
ixpk= 365, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 122, 123,
&end
#
# 11 GLU HA 11 GLU QB 2.62739 (# 373 4.250 2.213 31.539 25.035 GLU 10 HA GLU 10 QB 0.650E+09)
&rst
ixpk= 373, nxpk= 0, iat= 117, -1, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,
igr2= 119, 120,
&end
#
# 11 GLU HN 10 SER HA 3.90719 (# 69 8.275 4.440 10.939 15.846 GLU 10 HN SER 9 HA 0.601E+08)
&rst
ixpk= 69, nxpk= 0, iat= 115, 106, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41, &end
#
# 11 GLU HN 10 SER HB+ 3.76979 (# 73 8.276 4.058 10.412 20.717 GLU 10 HN SER 9 HB+ 0.745E+08)
&rst
ixpk= 73, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 108, 109,
&end
#
# 11 GLU HN 10 SER HB- 4.1048 (# 74 8.277 4.006 8.674 19.496 GLU 10 HN SER 9 HB- 0.447E+08)
&rst
ixpk= 74, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 108, 109,
&end
#
# 11 GLU HN 11 GLU HA 3.3699 (# 76 8.274 4.260 14.062 20.717 GLU 10 HN GLU 10 HA 0.146E+09)
&rst
ixpk= 76, nxpk= 0, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87, &end
#
# 11 GLU HN 11 GLU HG+ 3.68281 (# 80 8.275 2.444 19.908 26.713 GLU 10 HN GLU 10 HG+ 0.857E+08)
&rst
ixpk= 80, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 122, 123,
&end
#
# 11 GLU HN 11 GLU HG+ 4.04244 (# 75 8.275 2.498 20.107 15.881 GLU 10 HN GLU 10 HG+ 0.490E+08)
&rst
ixpk= 75, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 122, 123,
&end
#
# 11 GLU HN 11 GLU QB 2.6568 (# 81 8.280 2.204 14.109 36.092 GLU 10 HN GLU 10 QB 0.608E+09)
&rst
ixpk= 81, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
igr2= 119, 120,
&end
#
# 11 GLU HN 12 ILE HN 3.20577 (# 8 8.275 8.089 12.912 19.377 GLU 10 HN ILE 11 HN 0.197E+09)
&rst
ixpk= 8, nxpk= 0, iat= 115, 130, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 11 GLU HN 12 ILE HY 5.37877 (# 270 8.275 1.715 8.604 25.328 GLU 10 HN ILE 11 HY 0.883E+07)
&rst
ixpk= 270, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
igr2= 134, 140, 141,
&end
#
# 11 GLU HN 12 ILE QD 7.18052 (# 451 8.277 0.941 5.658 9.859 GLU 10 HN ILE 11 QD 0.156E+07)
&rst
ixpk= 451, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
igr2= 143, 144, 145,
&end
#
# 11 GLU HN 8 THR QG2 5.2066 (# 71 8.276 4.296 10.072 11.572 GLU 10 HN THR 7 QG2 1.07333E+07)
&rst
ixpk= 71, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
igr2= 85, 86, 87,
&end
#
# 11 GLU HN 8 THR QG2 6.3494 (# 274 8.274 1.315 7.441 16.889 GLU 10 HN THR 7 QG2 3.26333E+06)
&rst
ixpk= 274, nxpk= 0, iat= 115, -1, r1= 1.30, r2= 1.80, r3= 7.63, r4= 8.13,
igr2= 85, 86, 87,
&end
#
# 11 GLU HN 9 SER HA 4.47292 (# 70 8.276 4.380 9.895 15.846 GLU 10 HN SER 8 HA 0.267E+08)
&rst
ixpk= 70, nxpk= 0, iat= 115, 95, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97, &end
#
# 11 GLU QG 8 THR QG2 5.71558 (# 550 2.216 1.317 24.320 23.838 GLU 10 QG THR 7 QG2 6.13333e+06)
&rst
ixpk= 550, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,
igr1= 122, 123,
igr2= 85, 86, 87,
&end
#
# 12 ILE HA 11 GLU QB 4.5922 (# 424 4.008 2.213 17.031 15.738 ILE 11 HA GLU 10 QB 0.228E+08)
&rst
ixpk= 424, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr2= 119, 120,
&end
#
# 12 ILE HA 12 ILE HY 3.07484 (# 423 4.007 1.996 18.123 29.719 ILE 11 HA ILE 11 HY 0.253E+09)
&rst
ixpk= 423, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 134, 140, 141,
&end
#
# 12 ILE HA 12 ILE HY 3.49164 (# 426 4.009 1.299 22.514 33.744 ILE 11 HA ILE 11 HY 0.118E+09)
&rst
ixpk= 426, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 134, 140, 141,
&end
#
# 12 ILE HA 12 ILE HY 3.67924 (# 425 4.008 1.713 17.525 27.971 ILE 11 HA ILE 11 HY 0.862E+08)
&rst
ixpk= 425, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
igr2= 134, 140, 141,
&end
#
# 12 ILE HA 12 ILE QD 4.2797 (# 428 4.008 0.937 23.346 19.637 ILE 11 HA ILE 11 QD 0.348E+08)
&rst
ixpk= 428, nxpk= 0, iat= 132, -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
igr2= 143, 144, 145,
&end
#
# 12 ILE HN 11 GLU HA 3.29526 (# 249 8.091 4.259 8.863 14.836 ILE 11 HN GLU 10 HA 0.167E+09)
&rst
ixpk= 249, nxpk= 0, iat= 130, 117, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80, &end
#
# 12 ILE HN 11 GLU HN 3.3437 (# 30 8.087 8.275 14.273 14.145 ILE 11 HN GLU 10 HN 0.153E+09)
&rst
ixpk= 30, nxpk= 0, iat= 130, 115, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84, &end
#
# 12 ILE HN 12 ILE HA 3.36227 (# 250 8.086 4.011 9.027 20.857 ILE 11 HN ILE 11 HA 0.148E+09)
&rst
ixpk= 250, nxpk= 0, iat= 130, 132, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 12 ILE HN 12 ILE HY 3.46757 (# 146 8.089 1.303 16.234 23.580 ILE 11 HN ILE 11 HY 0.123E+09)
&rst
ixpk= 146, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 134, 140, 141,
&end
#
# 12 ILE HN 12 ILE QD 4.17115 (# 466 8.089 0.937 20.740 21.549 ILE 11 HN ILE 11 QD 0.406E+08)
&rst
ixpk= 466, nxpk= 0, iat= 130, -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
igr2= 143, 144, 145,
&end
#
# 12 ILE HN 9 SER HA 3.3329 (# 134 8.096 4.383 12.125 16.900 ILE 11 HN SER 8 HA 0.156E+09)
&rst
ixpk= 134, nxpk= 0, iat= 130, 95, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83, &end
#
# 12 ILE HY 12 ILE HY 2.70075 (# 548 1.712 1.301 28.922 24.508 ILE 11 HY ILE 11 HY 0.551E+09)
#This appears to be self-referential: ignoring
#
# 12 ILE HY 12 ILE HY 3.75729 (# 520 2.003 1.015 31.773 18.217 ILE 11 HY ILE 11 HY 76000000)
#This appears to be self-referential: ignoring
#
# 12 ILE HY 12 ILE HY 4.63139 (# 529 1.712 1.015 27.936 15.764 ILE 11 HY ILE 11 HY 2.16667e+07)
#This appears to be self-referential: ignoring
#
# 12 ILE HY 12 ILE QD 2.9838 (# 531 1.709 0.938 29.580 24.566 ILE 11 HY ILE 11 QD 0.303E+09)
&rst
ixpk= 531, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
igr1= 134, 140, 141,
igr2= 143, 144, 145,
&end
#
# 12 ILE HY 12 ILE QD 3.57166 (# 521 2.000 0.936 33.230 25.492 ILE 11 HY ILE 11 QD 0.103E+09)
&rst
ixpk= 521, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
igr1= 134, 140, 141,
igr2= 143, 144, 145,
&end
#
# 12 ILE HY 12 ILE QD 3.7055 (# 544 1.283 0.935 17.420 14.318 ILE 11 HY ILE 11 QD 0.826E+08)
&rst
ixpk= 544, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
igr1= 134, 140, 141,
igr2= 143, 144, 145,
&end
#
# 12 ILE HY 15 LYS QD 2.93869 (# 547 1.712 1.516 19.873 19.590 ILE 11 HY LYS 14 QD 0.332E+09)
&rst
ixpk= 547, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
igr1= 134, 140, 141,
igr2= 187, 188,
&end
#
# 13 THR HA 12 ILE HY 3.5929 (# 336 4.382 2.003 18.301 28.428 THR 12 HA ILE 11 HY 0.994E+08)
&rst
ixpk= 336, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 134, 140, 141,
&end
#
# 13 THR HA 12 ILE HY 4.30694 (# 339 4.382 1.713 20.119 36.268 THR 12 HA ILE 11 HY 0.335E+08)
&rst
ixpk= 339, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
igr2= 134, 140, 141,
&end
#
# 13 THR HA 12 ILE HY 5.04512 (# 340 4.384 1.015 18.688 19.953 THR 12 HA ILE 11 HY 1.29667E+07)
&rst
ixpk= 340, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
igr2= 134, 140, 141,
&end
#
# 13 THR HA 12 ILE QD 4.18151 (# 342 4.382 0.937 16.832 22.055 THR 12 HA ILE 11 QD 0.400E+08)
&rst
ixpk= 342, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 143, 144, 145,
&end
#
# 13 THR HA 13 THR QG2 3.37377 (# 347 4.382 1.346 10.154 12.160 THR 12 HA THR 12 QG2 145000000)
&rst
ixpk= 347, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
igr2= 155, 156, 157,
&end
#
# 13 THR HA 17 LEU HB+ 5.21746 (# 337 4.382 1.890 8.697 22.066 THR 12 HA LEU 16 HB+ 0.106E+08)
&rst
ixpk= 337, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
igr2= 215, 216,
&end
#
# 13 THR HA 17 LEU HB- 5.82922 (# 338 4.382 1.816 8.557 18.016 THR 12 HA LEU 16 HB- 0.545E+07)
&rst
ixpk= 338, nxpk= 0, iat= 151, -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
igr2= 215, 216,
&end
#
# 13 THR HB 12 ILE HY 4.32433 (# 367 4.255 1.999 16.762 21.891 THR 12 HB ILE 11 HY 0.327E+08)
&rst
ixpk= 367, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
igr2= 134, 140, 141,
&end
#
# 13 THR HB 12 ILE HY 5.73496 (# 369 4.257 1.724 15.154 14.777 THR 12 HB ILE 11 HY 0.601E+07)
&rst
ixpk= 369, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
igr2= 134, 140, 141,
&end
#
# 13 THR HB 12 ILE HY 6.19031 (# 371 4.255 1.014 14.461 17.453 THR 12 HB ILE 11 HY 0.380E+07)
&rst
ixpk= 371, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
igr2= 134, 140, 141,
&end
#
# 13 THR HB 13 THR QG2 3.85319 (# 370 4.256 1.347 18.346 19.975 THR 12 HB THR 12 QG2 6.53333e+07)
&rst
ixpk= 370, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2= 155, 156, 157,
&end
#
# 13 THR HB 16 ASP HB- 4.04107 (# 364 4.256 2.846 14.920 19.283 THR 12 HB ASP 15 HB- 0.491E+08)
&rst
ixpk= 364, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 203, 204,
&end
#
# 13 THR HB 16 ASP HB+ 4.09569 (# 363 4.256 2.894 18.064 18.229 THR 12 HB ASP 15 HB+ 0.453E+08)
&rst
ixpk= 363, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 203, 204,
&end
#
# 13 THR HB 17 LEU QD1 7.23567 (# 422 4.042 0.941 7.701 11.162 THR 12 HB LEU 16 QD1 1490000)
&rst
ixpk= 422, nxpk= 0, iat= 153, -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
igr2= 220, 221, 222,
&end
#
# 13 THR HN 10 SER HA 4.89203 (# 133 8.096 4.440 13.053 12.053 THR 12 HN SER 9 HA 0.156E+08)
&rst
ixpk= 133, nxpk= 0, iat= 149, 106, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39, &end
#
# 13 THR HN 13 THR QG2 4.25559 (# 132 8.099 1.347 16.434 19.730 THR 12 HN THR 12 QG2 36000000)
&rst
ixpk= 132, nxpk= 0, iat= 149, -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
igr2= 155, 156, 157,
&end
#
# 13 THR QG2 12 ILE HA 4.22361 (# 140 8.100 4.011 5.646 14.365 THR 12 QG2 ILE 11 HA 3.76667E+07)
&rst
ixpk= 140, nxpk= 0, iat= -1, 132, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
igr1= 155, 156, 157,
&end
#
# 13 THR QG2 13 THR QG2 4.19324 (# 135 8.103 4.261 7.254 14.836 THR 12 QG2 THR 12 QG2 3.93333E+07)
#This appears to be self-referential: ignoring
#
# 14 THR HA 14 THR QG2 3.39626 (# 329 4.371 1.331 11.938 17.488 THR 13 HA THR 13 QG2 1.39333E+08)
&rst
ixpk= 329, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 169, 170, 171,
&end
#
# 14 THR HA 17 LEU QD2 5.62736 (# 341 4.381 0.983 16.961 13.404 THR 13 HA LEU 16 QD2 6.73333E+06)
&rst
ixpk= 341, nxpk= 0, iat= 165, -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
igr2= 224, 225, 226,
&end
#
# 14 THR HB 14 THR QG2 3.78838 (# 401 4.140 1.332 16.680 19.283 THR 13 HB THR 13 QG2 7.23333e+07)
&rst
ixpk= 401, nxpk= 0, iat= 167, -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
igr2= 169, 170, 171,
&end
#
# 14 THR HN 12 ILE HA 4.37243 (# 148 8.060 4.011 12.502 12.969 THR 13 HN ILE 11 HA 0.306E+08)
&rst
ixpk= 148, nxpk= 0, iat= 163, 132, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87, &end
#
# 14 THR HN 13 THR QG2 4.16434 (# 147 8.057 4.258 13.617 12.969 THR 13 HN THR 12 QG2 41000000)
&rst
ixpk= 147, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
igr2= 155, 156, 157,
&end
#
# 14 THR HN 14 THR QG2 3.98992 (# 137 8.096 4.144 14.180 23.182 THR 13 HN THR 13 QG2 53000000)
&rst
ixpk= 137, nxpk= 0, iat= 163, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 169, 170, 171,
&end
#
# 15 LYS HN 12 ILE HA 4.53749 (# 180 7.982 4.012 13.840 20.340 LYS 14 HN ILE 11 HA 0.245E+08)
&rst
ixpk= 180, nxpk= 0, iat= 177, 132, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04, &end
#
# 15 LYS HN 12 ILE QD 6.45713 (# 475 7.982 0.938 6.551 13.721 LYS 14 HN ILE 11 QD 0.295E+07)
&rst
ixpk= 475, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 7.75, r4= 8.25,
igr2= 143, 144, 145,
&end
#
# 15 LYS HN 13 THR QG2 5.35511 (# 184 7.980 4.258 13.688 21.619 LYS 14 HN THR 12 QG2 9.06667E+06)
&rst
ixpk= 184, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
igr2= 155, 156, 157,
&end
#
# 15 LYS HN 14 THR HA 3.41419 (# 177 7.982 4.374 13.992 19.707 LYS 14 HN THR 13 HA 0.135E+09)
&rst
ixpk= 177, nxpk= 0, iat= 177, 165, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 15 LYS HN 14 THR QG2 4.57128 (# 178 7.984 4.145 15.365 9.178 LYS 14 HN THR 13 QG2 2.34333E+07)
&rst
ixpk= 178, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
igr2= 169, 170, 171,
&end
#
# 15 LYS HN 14 THR QG2 5.05163 (# 188 7.981 1.334 14.449 21.361 LYS 14 HN THR 13 QG2 1.28667E+07)
&rst
ixpk= 188, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 169, 170, 171,
&end
#
# 15 LYS HN 15 LYS HA 3.20577 (# 152 8.052 4.144 19.508 20.316 LYS 14 HN LYS 14 HA 0.197E+09)
&rst
ixpk= 152, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71, &end
#
# 15 LYS HN 15 LYS HA 3.23372 (# 179 7.983 4.111 17.971 19.754 LYS 14 HN LYS 14 HA 0.187E+09)
&rst
ixpk= 179, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 15 LYS HN 15 LYS HB- 4.98106 (# 185 7.980 1.746 10.998 15.375 LYS 14 HN LYS 14 HB- 0.140E+08)
&rst
ixpk= 185, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
igr2= 181, 182,
&end
#
# 15 LYS HN 15 LYS HG+ 4.25166 (# 186 7.980 1.589 10.682 23.920 LYS 14 HN LYS 14 HG+ 0.362E+08)
&rst
ixpk= 186, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
igr2= 184, 185,
&end
#
# 15 LYS HN 15 LYS HG- 4.30267 (# 187 7.980 1.506 11.305 23.062 LYS 14 HN LYS 14 HG- 0.337E+08)
&rst
ixpk= 187, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
igr2= 184, 185,
&end
#
# 15 LYS HN 15 LYS QB 2.93138 (# 183 7.982 1.993 14.719 26.420 LYS 14 HN LYS 14 QB 0.337E+09)
&rst
ixpk= 183, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
igr2= 181, 182,
&end
#
# 15 LYS HN 15 LYS QE 6.3408 (# 293 7.985 3.037 5.729 24.975 LYS 14 HN LYS 14 QE 0.329E+07)
&rst
ixpk= 293, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
igr2= 190, 191,
&end
#
# 15 LYS HN 16 ASP HB+ 6.09763 (# 294 7.982 2.897 10.154 11.385 LYS 14 HN ASP 15 HB+ 0.416E+07)
&rst
ixpk= 294, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
igr2= 203, 204,
&end
#
# 15 LYS HN 16 ASP HB- 6.49056 (# 295 7.980 2.845 8.215 12.535 LYS 14 HN ASP 15 HB- 0.286E+07)
&rst
ixpk= 295, nxpk= 0, iat= 177, -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
igr2= 203, 204,
&end
#
# 15 LYS HN 16 ASP HN 3.56591 (# 42 7.982 8.196 13.887 20.551 LYS 14 HN ASP 15 HN 0.104E+09)
&rst
ixpk= 42, nxpk= 0, iat= 177, 199, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 16 ASP HA 15 LYS QB 5.6737 (# 315 4.544 2.001 20.295 19.672 ASP 15 HA LYS 14 QB 0.641E+07)
&rst
ixpk= 315, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 6.37, r4= 6.87,
igr2= 181, 182,
&end
#
# 16 ASP HA 16 ASP HB+ 3.6369 (# 312 4.549 2.897 13.510 21.631 ASP 15 HA ASP 15 HB+ 0.924E+08)
&rst
ixpk= 312, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 203, 204,
&end
#
# 16 ASP HA 16 ASP HB- 3.66244 (# 311 4.547 2.845 13.041 19.189 ASP 15 HA ASP 15 HB- 0.886E+08)
&rst
ixpk= 311, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 203, 204,
&end
#
# 16 ASP HA 19 GLU HB+ 4.1048 (# 313 4.547 2.258 14.109 28.369 ASP 15 HA GLU 18 HB+ 0.447E+08)
&rst
ixpk= 313, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
igr2= 256, 257,
&end
#
# 16 ASP HA 19 GLU HB- 4.70942 (# 314 4.544 2.204 12.666 13.592 ASP 15 HA GLU 18 HB- 0.196E+08)
&rst
ixpk= 314, nxpk= 0, iat= 201, -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
igr2= 256, 257,
&end
#
# 16 ASP HN 12 ILE HA 5.72077 (# 245 8.196 4.013 16.293 16.549 ASP 15 HN ILE 11 HA 0.610E+07)
&rst
ixpk= 245, nxpk= 0, iat= 199, 132, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22, &end
#
# 16 ASP HN 12 ILE HY 8.15556 (# 459 8.196 1.016 10.494 16.408 ASP 15 HN ILE 11 HY 726667)
&rst
ixpk= 459, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 9.79, r4=10.29,
igr2= 134, 140, 141,
&end
#
# 16 ASP HN 13 THR QG2 6.21789 (# 103 8.196 4.257 13.170 17.523 ASP 15 HN THR 12 QG2 3700000)
&rst
ixpk= 103, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
igr2= 155, 156, 157,
&end
#
# 16 ASP HN 14 THR QG2 6.47431 (# 282 8.194 1.339 9.965 21.996 ASP 15 HN THR 13 QG2 2.90333E+06)
&rst
ixpk= 282, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr2= 169, 170, 171,
&end
#
# 16 ASP HN 15 LYS HA 3.82947 (# 104 8.196 4.115 14.508 21.420 ASP 15 HN LYS 14 HA 0.678E+08)
&rst
ixpk= 104, nxpk= 0, iat= 199, 179, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33, &end
#
# 16 ASP HN 15 LYS HB+ 3.20306 (# 107 8.195 1.994 15.705 26.479 ASP 15 HN LYS 14 HB+ 0.198E+09)
&rst
ixpk= 107, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 181, 182,
&end
#
# 16 ASP HN 15 LYS HG- 4.88165 (# 281 8.194 1.504 10.436 23.838 ASP 15 HN LYS 14 HG- 0.158E+08)
&rst
ixpk= 281, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
igr2= 184, 185,
&end
#
# 16 ASP HN 15 LYS HG+ 5.40668 (# 280 8.193 1.592 10.002 21.854 ASP 15 HN LYS 14 HG+ 0.856E+07)
&rst
ixpk= 280, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr2= 184, 185,
&end
#
# 16 ASP HN 15 LYS HN 3.39761 (# 19 8.194 7.982 14.838 21.080 ASP 15 HN LYS 14 HN 0.139E+09)
&rst
ixpk= 19, nxpk= 0, iat= 199, 177, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90, &end
#
# 16 ASP HN 16 ASP HA 3.76475 (# 109 8.191 4.571 12.055 22.395 ASP 15 HN ASP 15 HA 0.751E+08)
&rst
ixpk= 109, nxpk= 0, iat= 199, 201, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 16 ASP HN 16 ASP HB+ 3.35476 (# 105 8.194 2.894 19.578 18.475 ASP 15 HN ASP 15 HB+ 0.150E+09)
&rst
ixpk= 105, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 203, 204,
&end
#
# 16 ASP HN 16 ASP HB- 3.46757 (# 106 8.194 2.845 18.123 20.857 ASP 15 HN ASP 15 HB- 0.123E+09)
&rst
ixpk= 106, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
igr2= 203, 204,
&end
#
# 16 ASP HN 17 LEU HB+ 5.7007 (# 277 8.193 1.887 6.738 14.400 ASP 15 HN LEU 16 HB+ 0.623E+07)
&rst
ixpk= 277, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
igr2= 215, 216,
&end
#
# 16 ASP HN 17 LEU HB- 6.1557 (# 278 8.192 1.815 7.607 18.873 ASP 15 HN LEU 16 HB- 0.393E+07)
&rst
ixpk= 278, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
igr2= 215, 216,
&end
#
# 16 ASP HN 17 LEU HG 5.49347 (# 283 8.192 1.719 9.109 12.430 ASP 15 HN LEU 16 HG 0.778E+07)
&rst
ixpk= 283, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99, &end
#
# 16 ASP HN 17 LEU HN 3.1977 (# 18 8.194 8.049 16.164 21.701 ASP 15 HN LEU 16 HN 0.200E+09)
&rst
ixpk= 18, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 16 ASP HN 17 LEU QD1 8.04843 (# 460 8.198 0.947 7.971 11.209 ASP 15 HN LEU 16 QD1 786667)
&rst
ixpk= 460, nxpk= 0, iat= 199, -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
igr2= 220, 221, 222,
&end
#
# 17 LEU HA 17 LEU HB+ 3.3585 (# 385 4.186 1.881 21.305 26.490 LEU 16 HA LEU 16 HB+ 0.149E+09)
&rst
ixpk= 385, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
igr2= 215, 216,
&end
#
# 17 LEU HA 17 LEU HG 3.15695 (# 386 4.185 1.714 17.666 26.490 LEU 16 HA LEU 16 HG 0.216E+09)
&rst
ixpk= 386, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 17 LEU HA 17 LEU QD1 4.01558 (# 388 4.184 0.950 20.658 17.652 LEU 16 HA LEU 16 QD1 51000000)
&rst
ixpk= 388, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
igr2= 220, 221, 222,
&end
#
# 17 LEU HA 17 LEU QD2 4.55416 (# 387 4.184 0.984 21.023 9.166 LEU 16 HA LEU 16 QD2 2.39667e+07)
&rst
ixpk= 387, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
igr2= 224, 225, 226,
&end
#
# 17 LEU HA 19 LEU HB- 4.02218 (# 383 4.188 1.818 21.820 23.311 LEU 16 HA LEU 18 HB- 0.505E+08)
&rst
ixpk= 383, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
igr2= 256, 257,
&end
#
# 17 LEU HA 20 LYS HG+ 4.1974 (# 384 4.193 1.502 15.834 22.676 LEU 16 HA LYS 19 HG+ 0.391E+08)
&rst
ixpk= 384, nxpk= 0, iat= 213, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 274, 275,
&end
#
# 17 LEU HB+ 17 LEU QD1 4.71613 (# 524 1.882 0.951 19.721 9.506 LEU 16 HB+ LEU 16 QD1 1.94333e+07)
&rst
ixpk= 524, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 215, 216,
igr2= 220, 221, 222,
&end
#
# 17 LEU HB- 17 LEU QD1 5.08512 (# 526 1.840 0.950 14.004 9.178 LEU 16 HB- LEU 16 QD1 1.23667e+07)
&rst
ixpk= 526, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
igr1= 215, 216,
igr2= 220, 221, 222,
&end
#
# 17 LEU HB- 17 LEU QD2 4.17001 (# 527 1.836 0.980 20.811 12.053 LEU 16 HB- LEU 16 QD2 4.06667e+07)
&rst
ixpk= 527, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
igr1= 215, 216,
igr2= 224, 225, 226,
&end
#
# 17 LEU HB+ 17 LEU QD2 4.68067 (# 523 1.884 0.981 15.342 11.127 LEU 16 HB+ LEU 16 QD2 2.03333e+07)
&rst
ixpk= 523, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
igr1= 215, 216,
igr2= 224, 225, 226,
&end
#
# 17 LEU HG 17 LEU QD2 4.42369 (# 530 1.714 0.980 30.131 9.965 LEU 16 HG LEU 16 QD2 2.85333e+07)
&rst
ixpk= 530, nxpk= 0, iat= 218, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 224, 225, 226,
&end
#
# 17 LEU HN 14 THR QG2 4.12663 (# 149 8.057 1.334 13.346 22.383 LEU 16 HN THR 13 QG2 0.433E+08)
&rst
ixpk= 149, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
igr2= 169, 170, 171,
&end
#
# 17 LEU HN 16 ASP HB- 3.86445 (# 156 8.048 2.844 19.027 22.055 LEU 16 HN ASP 15 HB- 0.642E+08)
&rst
ixpk= 156, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
igr2= 203, 204,
&end
#
# 17 LEU HN 16 ASP HB+ 3.91482 (# 155 8.048 2.893 18.428 22.652 LEU 16 HN ASP 15 HB+ 0.594E+08)
&rst
ixpk= 155, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
igr2= 203, 204,
&end
#
# 17 LEU HN 16 ASP HN 3.24836 (# 33 8.048 8.197 17.877 20.504 LEU 16 HN ASP 15 HN 0.182E+09)
&rst
ixpk= 33, nxpk= 0, iat= 211, 199, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 17 LEU HN 17 LEU HA 3.25435 (# 251 8.050 4.186 20.084 11.654 LEU 16 HN LEU 16 HA 0.180E+09)
&rst
ixpk= 251, nxpk= 0, iat= 211, 213, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 17 LEU HN 17 LEU HB+ 3.22234 (# 162 8.048 1.884 15.201 28.686 LEU 16 HN LEU 16 HB+ 0.191E+09)
&rst
ixpk= 162, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
igr2= 215, 216,
&end
#
# 17 LEU HN 17 LEU HB- 3.57747 (# 167 8.047 1.818 15.201 30.199 LEU 16 HN LEU 16 HB- 0.102E+09)
&rst
ixpk= 167, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
igr2= 215, 216,
&end
#
# 17 LEU HN 17 LEU HG 3.40999 (# 163 8.048 1.714 15.201 29.449 LEU 16 HN LEU 16 HG 0.136E+09)
&rst
ixpk= 163, nxpk= 0, iat= 211, 218, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91, &end
#
# 17 LEU HN 17 LEU QD1 5.25964 (# 471 8.049 0.949 14.801 15.258 LEU 16 HN LEU 16 QD1 10100000)
&rst
ixpk= 471, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 220, 221, 222,
&end
#
# 17 LEU HN 17 LEU QD2 4.53749 (# 470 8.051 0.983 15.893 26.631 LEU 16 HN LEU 16 QD2 24500000)
&rst
ixpk= 470, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
igr2= 224, 225, 226,
&end
#
# 17 LEU HN 18 LYS QD 4.09871 (# 164 8.050 1.495 14.367 25.588 LEU 16 HN LYS 17 QD 0.451E+08)
&rst
ixpk= 164, nxpk= 0, iat= 211, -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
igr2= 240, 241,
&end
#
# 18 LYS HA 17 LEU HB+ 5.42479 (# 421 4.050 1.885 11.668 21.197 LYS 17 HA LEU 16 HB+ 0.839E+07)
&rst
ixpk= 421, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 215, 216,
&end
#
# 18 LYS HA 18 LYS QB 2.73134 (# 420 4.047 1.997 19.332 44.508 LYS 17 HA LYS 17 QB 0.515E+09)
&rst
ixpk= 420, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,
igr2= 234, 235,
&end
#
# 18 LYS HA 18 LYS QG 3.61506 (# 419 4.051 1.491 18.723 28.182 LYS 17 HA LYS 17 QG 0.958E+08)
&rst
ixpk= 419, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
igr2= 237, 238,
&end
#
# 18 LYS HA 18 LYS QG 3.87253 (# 417 4.051 1.738 18.123 31.150 LYS 17 HA LYS 17 QG 0.634E+08)
&rst
ixpk= 417, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
igr2= 237, 238,
&end
#
# 18 LYS HA 18 LYS QG 4.01035 (# 418 4.052 1.642 20.178 28.932 LYS 17 HA LYS 17 QG 0.514E+08)
&rst
ixpk= 418, nxpk= 0, iat= 232, -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
igr2= 237, 238,
&end
#
# 18 LYS HG+ 18 LYS QD 2.72607 (# 546 1.757 1.500 19.873 33.850 LYS 17 HG+ LYS 17 QD 0.521E+09)
&rst
ixpk= 546, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
igr1= 237, 238,
igr2= 240, 241,
&end
#
# 18 LYS HN 17 LEU HA 3.57166 (# 87 8.240 4.189 14.578 19.496 LYS 17 HN LEU 16 HA 0.103E+09)
&rst
ixpk= 87, nxpk= 0, iat= 230, 213, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07, &end
#
# 18 LYS HN 17 LEU HB+ 3.68353 (# 100 8.237 1.885 14.719 30.799 LYS 17 HN LEU 16 HB+ 0.856E+08)
&rst
ixpk= 100, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 215, 216,
&end
#
# 18 LYS HN 17 LEU QD1 6.19941 (# 458 8.240 0.950 12.736 13.967 LYS 17 HN LEU 16 QD1 3.76667e+06)
&rst
ixpk= 458, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
igr2= 220, 221, 222,
&end
#
# 18 LYS HN 17 LEU QD2 5.59105 (# 457 8.242 0.988 12.324 14.789 LYS 17 HN LEU 16 QD2 7000000)
&rst
ixpk= 457, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
igr2= 224, 225, 226,
&end
#
# 18 LYS HN 18 LYS HA 3.13323 (# 90 8.239 4.050 15.447 23.756 LYS 17 HN LYS 17 HA 0.226E+09)
&rst
ixpk= 90, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63, &end
#
# 18 LYS HN 18 LYS HB+ 2.63419 (# 95 8.237 1.998 13.533 20.527 LYS 17 HN LYS 17 HB+ 0.640E+09)
&rst
ixpk= 95, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
igr2= 234, 235,
&end
#
# 18 LYS HN 18 LYS HB- 4.79013 (# 101 8.237 1.816 9.215 18.475 LYS 17 HN LYS 17 HB- 0.177E+08)
&rst
ixpk= 101, nxpk= 0, iat= 230, -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
igr2= 234, 235,
&end
#
# 18 LYS HN 19 GLU HN 2.82352 (# 17 8.237 8.162 13.111 22.031 LYS 17 HN GLU 18 HN 0.422E+09)
&rst
ixpk= 17, nxpk= 0, iat= 230, 252, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32, &end
#
# 19 GLU HA 23 VAL QG1 5.18797 (# 381 4.200 1.016 22.771 9.213 GLU 18 HA VAL 22 QG1 1.09667e+07)
&rst
ixpk= 381, nxpk= 0, iat= 254, -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
igr2= 332, 333, 334,
&end
#
# 19 GLU HN 15 LYS HA 4.71747 (# 112 8.162 4.112 11.902 16.221 GLU 18 HN LYS 14 HA 0.194E+08)
&rst
ixpk= 112, nxpk= 0, iat= 252, 179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22, &end
#
# 19 GLU HN 16 ASP HA 4.68195 (# 110 8.162 4.569 13.275 11.127 GLU 18 HN ASP 15 HA 0.203E+08)
&rst
ixpk= 110, nxpk= 0, iat= 252, 201, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18, &end
#
# 19 GLU HN 17 LEU HG 5.59908 (# 288 8.162 1.717 8.287 15.738 GLU 18 HN LEU 16 HG 0.694E+07)
&rst
ixpk= 288, nxpk= 0, iat= 252, 218, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10, &end
#
# 19 GLU HN 18 LYS HA 4.03697 (# 113 8.162 4.052 14.578 22.066 GLU 18 HN LYS 17 HA 0.494E+08)
&rst
ixpk= 113, nxpk= 0, iat= 252, 232, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54, &end
#
# 19 GLU HN 18 LYS HD- 5.46913 (# 289 8.163 1.648 7.277 19.307 GLU 18 HN LYS 17 HD- 0.799E+07)
&rst
ixpk= 289, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
igr2= 240, 241,
&end
#
# 19 GLU HN 18 LYS HD+ 5.63062 (# 287 8.162 1.746 6.855 17.160 GLU 18 HN LYS 17 HD+ 0.671E+07)
&rst
ixpk= 287, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
igr2= 240, 241,
&end
#
# 19 GLU HN 18 LYS HN 3.20038 (# 21 8.163 8.240 12.654 14.941 GLU 18 HN LYS 17 HN 0.199E+09)
&rst
ixpk= 21, nxpk= 0, iat= 252, 230, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 19 GLU HN 18 LYS QB 3.17942 (# 118 8.162 1.998 16.340 29.719 GLU 18 HN LYS 17 QB 0.207E+09)
&rst
ixpk= 118, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
igr2= 234, 235,
&end
#
# 19 GLU HN 18 LYS QG 4.68969 (# 291 8.162 1.495 6.668 15.117 GLU 18 HN LYS 17 QG 0.201E+08)
&rst
ixpk= 291, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
igr2= 237, 238,
&end
#
# 19 GLU HN 19 GLU HA 3.30861 (# 111 8.161 4.200 11.010 28.135 GLU 18 HN GLU 18 HA 0.163E+09)
&rst
ixpk= 111, nxpk= 0, iat= 252, 254, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81, &end
#
# 19 GLU HN 19 GLU HB- 2.86456 (# 117 8.160 2.201 17.350 34.941 GLU 18 HN GLU 18 HB- 0.387E+09)
&rst
ixpk= 117, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
igr2= 256, 257,
&end
#
# 19 GLU HN 19 GLU HB+ 3.23661 (# 116 8.161 2.259 12.266 21.455 GLU 18 HN GLU 18 HB+ 0.186E+09)
&rst
ixpk= 116, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
igr2= 256, 257,
&end
#
# 19 GLU HN 19 GLU HG+ 3.68281 (# 114 8.163 2.615 10.822 26.068 GLU 18 HN GLU 18 HG+ 0.857E+08)
&rst
ixpk= 114, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
igr2= 259, 260,
&end
#
# 19 GLU HN 19 GLU HG- 4.26552 (# 115 8.162 2.448 11.668 25.434 GLU 18 HN GLU 18 HG- 0.355E+08)
&rst
ixpk= 115, nxpk= 0, iat= 252, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 259, 260,
&end
#
# 19 GLU HN 20 LYS HA 5.63764 (# 247 8.162 4.144 5.951 10.551 GLU 18 HN LYS 19 HA 0.666E+07)
&rst
ixpk= 247, nxpk= 0, iat= 252, 269, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14, &end
#
# 19 GLU HN 20 LYS HN 2.98053 (# 227 8.161 8.099 7.289 16.525 GLU 18 HN LYS 19 HN 0.305E+09)
&rst
ixpk= 227, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48, &end
#
# 19 GLU HN 20 LYS HN 3.55461 (# 22 8.160 8.053 7.877 17.406 GLU 18 HN LYS 19 HN 0.106E+09)
&rst
ixpk= 22, nxpk= 0, iat= 252, 267, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05, &end
#
# 20 LYS HA 19 GLU HB- 4.18676 (# 390 4.146 2.212 12.994 22.723 LYS 19 HA GLU 18 HB- 0.397E+08)
&rst
ixpk= 390, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
igr2= 256, 257,
&end
#
# 20 LYS HA 20 LYS HB+ 3.51693 (# 399 4.142 1.882 19.227 28.615 LYS 19 HA LYS 19 HB+ 0.113E+09)
&rst
ixpk= 399, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
igr2= 271, 272,
&end
#
# 20 LYS HA 20 LYS HG+ 3.48673 (# 395 4.144 1.508 14.367 33.193 LYS 19 HA LYS 19 HG+ 0.119E+09)
&rst
ixpk= 395, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
igr2= 274, 275,
&end
#
# 20 LYS HA 23 VAL HB 3.64151 (# 389 4.144 2.289 23.559 28.264 LYS 19 HA VAL 22 HB 0.917E+08)
&rst
ixpk= 389, nxpk= 0, iat= 269, 330, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14, &end
#
# 20 LYS HA 23 VAL QG1 5.11782 (# 402 4.144 1.017 20.424 13.439 LYS 19 HA VAL 22 QG1 11900000)
&rst
ixpk= 402, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
igr2= 332, 333, 334,
&end
#
# 20 LYS HA 23 VAL QG2 4.59782 (# 396 4.144 1.125 24.344 18.826 LYS 19 HA VAL 22 QG2 2.26333e+07)
&rst
ixpk= 396, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
igr2= 336, 337, 338,
&end
#
# 20 LYS HA 24 VAL QG2 5.73126 (# 397 4.147 1.089 24.109 10.609 LYS 19 HA VAL 23 QG2 6.03333e+06)
&rst
ixpk= 397, nxpk= 0, iat= 269, -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
igr2= 352, 353, 354,
&end
#
# 20 LYS HD- 17 LEU QD2 4.53033 (# 536 1.345 0.980 17.420 15.434 LYS 19 HD- LEU 16 QD2 2.47333e+07)
&rst
ixpk= 536, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr1= 277, 278,
igr2= 224, 225, 226,
&end
#
# 20 LYS HN 16 ASP HA 4.40669 (# 150 8.050 4.573 10.365 19.531 LYS 19 HN ASP 15 HA 0.292E+08)
&rst
ixpk= 150, nxpk= 0, iat= 267, 201, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91, &end
#
# 20 LYS HN 16 ASP HA 5.92546 (# 446 8.096 4.569 7.418 12.500 LYS 19 HN ASP 15 HA 0.494E+07)
&rst
ixpk= 446, nxpk= 0, iat= 267, 201, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43, &end
#
# 20 LYS HN 16 ASP HB+ 5.09663 (# 297 8.096 2.895 14.355 19.072 LYS 19 HN ASP 15 HB+ 0.122E+08)
&rst
ixpk= 297, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
igr2= 203, 204,
&end
#
# 20 LYS HN 16 ASP HB- 5.49464 (# 298 8.098 2.846 14.027 14.941 LYS 19 HN ASP 15 HB- 0.777E+07)
&rst
ixpk= 298, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 203, 204,
&end
#
# 20 LYS HN 18 LYS HA 4.30909 (# 139 8.096 4.053 18.980 12.547 LYS 19 HN LYS 17 HA 0.334E+08)
&rst
ixpk= 139, nxpk= 0, iat= 267, 232, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81, &end
#
# 20 LYS HN 19 GLU HA 3.4629 (# 136 8.097 4.195 14.695 19.307 LYS 19 HN GLU 18 HA 0.124E+09)
&rst
ixpk= 136, nxpk= 0, iat= 267, 254, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96, &end
#
# 20 LYS HN 19 GLU HB- 3.24245 (# 144 8.098 2.202 15.389 20.035 LYS 19 HN GLU 18 HB- 0.184E+09)
&rst
ixpk= 144, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 256, 257,
&end
#
# 20 LYS HN 19 GLU HB+ 3.56591 (# 141 8.097 2.257 15.389 24.543 LYS 19 HN GLU 18 HB+ 0.104E+09)
&rst
ixpk= 141, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
igr2= 256, 257,
&end
#
# 20 LYS HN 19 GLU HG- 5.17753 (# 300 8.091 2.445 18.264 20.352 LYS 19 HN GLU 18 HG- 0.111E+08)
&rst
ixpk= 300, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
igr2= 259, 260,
&end
#
# 20 LYS HN 19 GLU HN 2.55479 (# 29 8.099 8.159 12.584 18.252 LYS 19 HN GLU 18 HN 0.769E+09)
&rst
ixpk= 29, nxpk= 0, iat= 267, 252, r1= 1.30, r2= 1.80, r3= 2.55, r4= 3.05, &end
#
# 20 LYS HN 20 LYS HB+ 2.69027 (# 142 8.097 2.001 17.854 22.125 LYS 19 HN LYS 19 HB+ 0.564E+09)
&rst
ixpk= 142, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,
igr2= 271, 272,
&end
#
# 20 LYS HN 20 LYS HB- 3.20577 (# 488 8.094 1.966 16.973 13.732 LYS 19 HN LYS 19 HB- 0.197E+09)
&rst
ixpk= 488, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 271, 272,
&end
#
# 20 LYS HN 20 LYS HG+ 3.59896 (# 143 8.097 1.510 8.580 26.938 LYS 19 HN LYS 19 HG+ 0.984E+08)
&rst
ixpk= 143, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 274, 275,
&end
#
# 20 LYS HN 20 LYS QE 5.97062 (# 299 8.094 3.022 11.797 11.830 LYS 19 HN LYS 19 QE 0.472E+07)
&rst
ixpk= 299, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
igr2= 280, 281,
&end
#
# 20 LYS HN 20 LYS QG 3.15452 (# 145 8.090 1.710 17.982 24.344 LYS 19 HN LYS 19 QG 0.217E+09)
&rst
ixpk= 145, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
igr2= 274, 275,
&end
#
# 20 LYS HN 21 LYS HN 3.2454 (# 28 8.097 8.244 12.912 16.127 LYS 19 HN LYS 20 HN 0.183E+09)
&rst
ixpk= 28, nxpk= 0, iat= 267, 289, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 20 LYS HN 23 VAL QG1 4.18151 (# 465 8.093 1.015 23.088 18.990 LYS 19 HN VAL 22 QG1 40000000)
&rst
ixpk= 465, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
igr2= 332, 333, 334,
&end
#
# 20 LYS HN 23 VAL QG2 7.60721 (# 464 8.097 1.125 10.494 16.057 LYS 19 HN VAL 22 QG2 1.10333e+06)
&rst
ixpk= 464, nxpk= 0, iat= 267, -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
igr2= 336, 337, 338,
&end
#
# 20 LYS QE 17 LEU QD2 6.60868 (# 500 3.024 0.985 13.393 9.213 LYS 19 QE LEU 16 QD2 2.56667e+06)
&rst
ixpk= 500, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.91, r4= 9.41,
igr1= 280, 281,
igr2= 224, 225, 226,
&end
#
# 20 LYS QE 20 LYS HD- 4.56588 (# 498 3.027 1.330 15.881 16.502 LYS 19 QE LYS 19 HD- 0.236E+08)
&rst
ixpk= 498, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
igr1= 280, 281,
igr2= 277, 278,
&end
#
# 20 LYS QE 24 VAL QG2 6.59731 (# 499 3.025 1.086 15.002 8.580 LYS 19 QE VAL 23 QG2 2.59333e+06)
&rst
ixpk= 499, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr1= 280, 281,
igr2= 352, 353, 354,
&end
#
# 21 LYS HA 21 LYS HB+ 3.4017 (# 408 4.101 2.220 21.316 30.375 LYS 20 HA LYS 20 HB+ 0.138E+09)
&rst
ixpk= 408, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
igr2= 293, 294,
&end
#
# 21 LYS HA 21 LYS HG- 3.63559 (# 442 4.100 1.493 8.793 24.578 LYS 20 HA LYS 20 HG- 0.926E+08)
&rst
ixpk= 442, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
igr2= 296, 297,
&end
#
# 21 LYS HA 21 LYS HG+ 3.77063 (# 441 4.100 1.578 9.426 24.578 LYS 20 HA LYS 20 HG+ 0.744E+08)
&rst
ixpk= 441, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
igr2= 296, 297,
&end
#
# 21 LYS HA 21 LYS QB 2.60452 (# 404 4.101 1.985 16.340 41.539 LYS 20 HA LYS 20 QB 0.685E+09)
&rst
ixpk= 404, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
igr2= 293, 294,
&end
#
# 21 LYS HA 24 VAL QG2 4.74928 (# 410 4.101 1.089 21.199 18.826 LYS 20 HA VAL 23 QG2 1.86333e+07)
&rst
ixpk= 410, nxpk= 0, iat= 291, -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
igr2= 352, 353, 354,
&end
#
# 21 LYS HN 20 LYS HA 3.58335 (# 88 8.242 4.143 16.059 14.459 LYS 20 HN LYS 19 HA 0.101E+09)
&rst
ixpk= 88, nxpk= 0, iat= 289, 269, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 21 LYS HN 20 LYS HN 3.00568 (# 14 8.243 8.099 15.564 23.369 LYS 20 HN LYS 19 HN 0.290E+09)
&rst
ixpk= 14, nxpk= 0, iat= 289, 267, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51, &end
#
# 21 LYS HN 21 LYS HA 3.17942 (# 89 8.242 4.101 17.443 19.883 LYS 20 HN LYS 20 HA 0.207E+09)
&rst
ixpk= 89, nxpk= 0, iat= 289, 291, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68, &end
#
# 21 LYS HN 21 LYS HB- 2.65826 (# 275 8.245 1.974 10.916 26.689 LYS 20 HN LYS 20 HB- 0.606E+09)
&rst
ixpk= 275, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
igr2= 293, 294,
&end
#
# 21 LYS HN 21 LYS HB+ 3.69734 (# 94 8.244 2.210 7.184 35.928 LYS 20 HN LYS 20 HB+ 0.837E+08)
&rst
ixpk= 94, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
igr2= 293, 294,
&end
#
# 21 LYS HN 21 LYS HG- 3.704 (# 98 8.241 1.497 15.729 33.873 LYS 20 HN LYS 20 HG- 0.828E+08)
&rst
ixpk= 98, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
igr2= 296, 297,
&end
#
# 21 LYS HN 21 LYS HG+ 3.98492 (# 97 8.243 1.581 13.193 32.854 LYS 20 HN LYS 20 HG+ 0.534E+08)
&rst
ixpk= 97, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
igr2= 296, 297,
&end
#
# 21 LYS HN 21 LYS QE 5.13965 (# 276 8.240 3.028 11.092 18.180 LYS 20 HN LYS 20 QE 0.116E+08)
&rst
ixpk= 276, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
igr2= 302, 303,
&end
#
# 21 LYS HN 22 GLU HB+ 4.84651 (# 93 8.242 2.250 8.404 10.061 LYS 20 HN GLU 21 HB+ 0.165E+08)
&rst
ixpk= 93, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
igr2= 315, 316,
&end
#
# 21 LYS HN 22 GLU HN 2.94914 (# 15 8.241 8.051 15.801 20.562 LYS 20 HN GLU 21 HN 0.325E+09)
&rst
ixpk= 15, nxpk= 0, iat= 289, 311, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45, &end
#
# 21 LYS HN 23 VAL HN 4.6092 (# 229 8.242 7.899 10.330 17.242 LYS 20 HN VAL 22 HN 0.223E+08)
&rst
ixpk= 229, nxpk= 0, iat= 289, 326, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11, &end
#
# 21 LYS HN 23 VAL QG1 6.8067 (# 485 8.243 1.026 8.287 11.092 LYS 20 HN VAL 22 QG1 2150000)
&rst
ixpk= 485, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
igr2= 332, 333, 334,
&end
#
# 21 LYS HN 23 VAL QG2 7.17796 (# 456 8.243 1.125 10.506 15.199 LYS 20 HN VAL 22 QG2 1.56333e+06)
&rst
ixpk= 456, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 8.62, r4= 9.12,
igr2= 336, 337, 338,
&end
#
# 21 LYS HN 24 VAL HN 3.98616 (# 16 8.241 7.987 10.529 17.348 LYS 20 HN VAL 23 HN 0.533E+08)
&rst
ixpk= 16, nxpk= 0, iat= 289, 342, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 21 LYS HN 24 VAL QG2 6.90079 (# 455 8.243 1.090 10.107 12.324 LYS 20 HN VAL 23 QG2 1980000)
&rst
ixpk= 455, nxpk= 0, iat= 289, -1, r1= 1.30, r2= 1.80, r3= 8.29, r4= 8.79,
igr2= 352, 353, 354,
&end
#
# 22 GLU HN 18 LYS HA 4.19919 (# 154 8.052 4.053 11.104 17.254 GLU 21 HN LYS 17 HA 0.390E+08)
&rst
ixpk= 154, nxpk= 0, iat= 311, 232, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70, &end
#
# 22 GLU HN 21 LYS HA 3.49164 (# 153 8.051 4.104 18.240 19.049 GLU 21 HN LYS 20 HA 0.118E+09)
&rst
ixpk= 153, nxpk= 0, iat= 311, 291, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 22 GLU HN 21 LYS HB+ 3.2855 (# 489 8.052 1.992 18.605 13.732 GLU 21 HN LYS 20 HB+ 0.170E+09)
&rst
ixpk= 489, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
igr2= 293, 294,
&end
#
# 22 GLU HN 21 LYS HB- 3.65696 (# 161 8.052 1.958 15.014 14.354 GLU 21 HN LYS 20 HB- 0.894E+08)
&rst
ixpk= 161, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
igr2= 293, 294,
&end
#
# 22 GLU HN 21 LYS HN 3.01795 (# 32 8.051 8.243 15.904 20.012 GLU 21 HN LYS 20 HN 0.283E+09)
&rst
ixpk= 32, nxpk= 0, iat= 311, 289, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52, &end
#
# 22 GLU HN 22 GLU HA 3.11734 (# 487 8.049 4.213 17.971 12.770 GLU 21 HN GLU 21 HA 0.233E+09)
&rst
ixpk= 487, nxpk= 0, iat= 311, 313, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62, &end
#
# 22 GLU HN 22 GLU HB- 3.21398 (# 160 8.050 2.213 14.695 13.732 GLU 21 HN GLU 21 HB- 0.194E+09)
&rst
ixpk= 160, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
igr2= 315, 316,
&end
#
# 22 GLU HN 22 GLU HB+ 3.2454 (# 159 8.050 2.239 15.342 11.232 GLU 21 HN GLU 21 HB+ 0.183E+09)
&rst
ixpk= 159, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
igr2= 315, 316,
&end
#
# 22 GLU HN 22 GLU HB+ 3.81005 (# 157 8.051 2.582 15.400 34.332 GLU 21 HN GLU 21 HB+ 0.699E+08)
&rst
ixpk= 157, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
igr2= 315, 316,
&end
#
# 22 GLU HN 22 GLU HB- 4.27155 (# 158 8.051 2.471 14.131 35.600 GLU 21 HN GLU 21 HB- 0.352E+08)
&rst
ixpk= 158, nxpk= 0, iat= 311, -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
igr2= 315, 316,
&end
#
# 22 GLU HN 23 VAL HN 3.23085 (# 34 8.051 7.900 16.316 21.443 GLU 21 HN VAL 22 HN 0.188E+09)
&rst
ixpk= 34, nxpk= 0, iat= 311, 326, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73, &end
#
# 22 GLU HN 24 VAL HN 2.6747 (# 26 8.054 7.984 11.363 22.312 GLU 21 HN VAL 23 HN 0.584E+09)
&rst
ixpk= 26, nxpk= 0, iat= 311, 342, r1= 1.30, r2= 1.80, r3= 2.67, r4= 3.17, &end
#
# 23 VAL HA 23 VAL HB 3.60571 (# 439 3.916 2.290 13.416 27.418 VAL 22 HA VAL 22 HB 0.973E+08)
&rst
ixpk= 439, nxpk= 0, iat= 328, 330, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11, &end
#
# 23 VAL HA 23 VAL QG1 3.64173 (# 430 3.907 1.018 17.279 16.127 VAL 22 HA VAL 22 QG1 9.16667e+07)
&rst
ixpk= 430, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
igr2= 332, 333, 334,
&end
#
# 23 VAL HA 23 VAL QG2 3.7305 (# 429 3.907 1.125 25.131 19.014 VAL 22 HA VAL 22 QG2 7.93333e+07)
&rst
ixpk= 429, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
igr2= 336, 337, 338,
&end
#
# 23 VAL HA 26 GLU HG+ 5.11069 (# 444 3.903 2.653 19.721 21.818 VAL 22 HA GLU 25 HG+ 0.120E+08)
&rst
ixpk= 444, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
igr2= 380, 381,
&end
#
# 23 VAL HA 26 GLU HG- 5.42264 (# 443 3.907 2.543 22.596 14.543 VAL 22 HA GLU 25 HG- 0.841E+07)
&rst
ixpk= 443, nxpk= 0, iat= 328, -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
igr2= 380, 381,
&end
#
# 23 VAL HN 20 LYS HA 4.29843 (# 190 7.899 4.144 14.262 22.184 VAL 22 HN LYS 19 HA 0.339E+08)
&rst
ixpk= 190, nxpk= 0, iat= 326, 269, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80, &end
#
# 23 VAL HN 20 LYS QD 6.56535 (# 483 7.899 1.498 5.588 14.602 VAL 22 HN LYS 19 QD 0.267E+07)
&rst
ixpk= 483, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
igr2= 277, 278,
&end
#
# 23 VAL HN 20 LYS QD 6.8067 (# 481 7.897 1.713 5.318 10.434 VAL 22 HN LYS 19 QD 0.215E+07)
&rst
ixpk= 481, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
igr2= 277, 278,
&end
#
# 23 VAL HN 21 LYS HA 5.19324 (# 254 7.899 4.099 9.051 15.199 VAL 22 HN LYS 20 HA 0.109E+08)
&rst
ixpk= 254, nxpk= 0, iat= 326, 291, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69, &end
#
# 23 VAL HN 21 LYS HN 5.32393 (# 225 7.898 8.245 10.389 11.209 VAL 22 HN LYS 20 HN 0.939E+07)
&rst
ixpk= 225, nxpk= 0, iat= 326, 289, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82, &end
#
# 23 VAL HN 22 GLU HA 3.72067 (# 189 7.900 4.213 14.543 23.955 VAL 22 HN GLU 21 HA 0.806E+08)
&rst
ixpk= 189, nxpk= 0, iat= 326, 313, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 23 VAL HN 22 GLU HB- 3.66382 (# 220 7.900 2.212 13.652 17.922 VAL 22 HN GLU 21 HB- 0.884E+08)
&rst
ixpk= 220, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
igr2= 315, 316,
&end
#
# 23 VAL HN 22 GLU HB+ 3.91702 (# 193 7.899 2.242 12.689 11.795 VAL 22 HN GLU 21 HB+ 0.592E+08)
&rst
ixpk= 193, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
igr2= 315, 316,
&end
#
# 23 VAL HN 22 GLU HB+ 5.18534 (# 222 7.901 2.586 13.770 22.066 VAL 22 HN GLU 21 HB+ 0.110E+08)
&rst
ixpk= 222, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
igr2= 315, 316,
&end
#
# 23 VAL HN 22 GLU HB- 5.32204 (# 223 7.899 2.459 10.693 29.941 VAL 22 HN GLU 21 HB- 0.941E+07)
&rst
ixpk= 223, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
igr2= 315, 316,
&end
#
# 23 VAL HN 22 GLU HN 3.44913 (# 43 7.899 8.051 15.600 18.920 VAL 22 HN GLU 21 HN 0.127E+09)
&rst
ixpk= 43, nxpk= 0, iat= 326, 311, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 23 VAL HN 23 VAL HA 3.45367 (# 191 7.898 3.910 13.664 23.074 VAL 22 HN VAL 22 HA 0.126E+09)
&rst
ixpk= 191, nxpk= 0, iat= 326, 328, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95, &end
#
# 23 VAL HN 23 VAL HB 3.15695 (# 192 7.900 2.291 26.340 28.416 VAL 22 HN VAL 22 HB 0.216E+09)
&rst
ixpk= 192, nxpk= 0, iat= 326, 330, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66, &end
#
# 23 VAL HN 23 VAL QG1 4.67052 (# 478 7.899 1.018 15.424 20.445 VAL 22 HN VAL 22 QG1 20600000)
&rst
ixpk= 478, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 332, 333, 334,
&end
#
# 23 VAL HN 23 VAL QG2 3.92294 (# 476 7.898 1.125 14.920 18.498 VAL 22 HN VAL 22 QG2 5.86667e+07)
&rst
ixpk= 476, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
igr2= 336, 337, 338,
&end
#
# 23 VAL HN 24 VAL HN 3.24836 (# 44 7.899 7.991 17.137 21.443 VAL 22 HN VAL 23 HN 0.182E+09)
&rst
ixpk= 44, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75, &end
#
# 23 VAL HN 25 GLU HN 5.12503 (# 226 7.899 8.273 12.336 14.145 VAL 22 HN GLU 24 HN 0.118E+08)
&rst
ixpk= 226, nxpk= 0, iat= 326, 358, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63, &end
#
# 23 VAL HN 27 ALA QB 8.984 (# 482 7.900 1.547 4.367 6.678 VAL 22 HN ALA 26 QB 406667)
&rst
ixpk= 482, nxpk= 0, iat= 326, -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
igr2= 392, 393, 394,
&end
#
# 24 VAL HA 24 VAL HB 3.44016 (# 438 3.879 2.224 13.594 26.938 VAL 23 HA VAL 23 HB 0.129E+09)
&rst
ixpk= 438, nxpk= 0, iat= 344, 346, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 24 VAL HA 24 VAL QG1 3.58731 (# 432 3.882 1.003 25.131 22.090 VAL 23 HA VAL 23 QG1 1.00333e+08)
&rst
ixpk= 432, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
igr2= 348, 349, 350,
&end
#
# 24 VAL HA 24 VAL QG2 3.7712 (# 431 3.879 1.088 23.559 18.627 VAL 23 HA VAL 23 QG2 7.43333e+07)
&rst
ixpk= 431, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
igr2= 352, 353, 354,
&end
#
# 24 VAL HA 27 ALA QB 4.42197 (# 437 3.883 1.549 23.781 20.035 VAL 23 HA ALA 26 QB 28600000)
&rst
ixpk= 437, nxpk= 0, iat= 344, -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
igr2= 392, 393, 394,
&end
#
# 24 VAL HB 23 VAL QG2 4.6962 (# 511 2.212 1.125 28.734 19.037 VAL 23 HB VAL 22 QG2 1.99333e+07)
&rst
ixpk= 511, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
igr2= 336, 337, 338,
&end
#
# 24 VAL HB 24 VAL QG2 3.85319 (# 510 2.219 1.088 31.527 18.943 VAL 23 HB VAL 23 QG2 6.53333e+07)
&rst
ixpk= 510, nxpk= 0, iat= 346, -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
igr2= 352, 353, 354,
&end
#
# 24 VAL HN 22 GLU HA 4.72974 (# 175 7.986 4.212 7.736 12.076 VAL 23 HN GLU 21 HA 0.191E+08)
&rst
ixpk= 175, nxpk= 0, iat= 342, 313, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23, &end
#
# 24 VAL HN 22 GLU HN 2.95986 (# 40 7.982 8.054 12.514 18.850 VAL 23 HN GLU 21 HN 0.318E+09)
&rst
ixpk= 40, nxpk= 0, iat= 342, 311, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46, &end
#
# 24 VAL HN 23 VAL HB 3.48187 (# 182 7.988 2.290 15.014 29.426 VAL 23 HN VAL 22 HB 0.120E+09)
&rst
ixpk= 182, nxpk= 0, iat= 342, 330, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98, &end
#
# 24 VAL HN 23 VAL HN 3.24245 (# 41 7.985 7.899 13.699 19.543 VAL 23 HN VAL 22 HN 0.184E+09)
&rst
ixpk= 41, nxpk= 0, iat= 342, 326, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74, &end
#
# 24 VAL HN 23 VAL QG2 4.87143 (# 472 7.989 1.124 14.637 14.342 VAL 23 HN VAL 22 QG2 16000000)
&rst
ixpk= 472, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
igr2= 336, 337, 338,
&end
#
# 24 VAL HN 24 VAL HA 3.20038 (# 181 7.989 3.891 18.301 27.971 VAL 23 HN VAL 23 HA 0.199E+09)
&rst
ixpk= 181, nxpk= 0, iat= 342, 344, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 24 VAL HN 24 VAL HB 3.10633 (# 219 7.988 2.222 15.412 19.236 VAL 23 HN VAL 23 HB 0.238E+09)
&rst
ixpk= 219, nxpk= 0, iat= 342, 346, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61, &end
#
# 24 VAL HN 24 VAL QG1 4.22987 (# 474 7.988 1.009 15.998 28.486 VAL 23 HN VAL 23 QG1 3.73333e+07)
&rst
ixpk= 474, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
igr2= 348, 349, 350,
&end
#
# 24 VAL HN 24 VAL QG2 3.89752 (# 473 7.987 1.087 15.412 18.121 VAL 23 HN VAL 23 QG2 61000000)
&rst
ixpk= 473, nxpk= 0, iat= 342, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 352, 353, 354,
&end
#
# 24 VAL HN 25 GLU HN 3.49164 (# 39 7.988 8.274 15.576 18.943 VAL 23 HN GLU 24 HN 0.118E+09)
&rst
ixpk= 39, nxpk= 0, iat= 342, 358, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99, &end
#
# 25 GLU HA 24 VAL QG1 5.0897 (# 436 4.206 0.999 9.754 9.730 GLU 24 HA VAL 23 QG1 12300000)
&rst
ixpk= 436, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
igr2= 348, 349, 350,
&end
#
# 25 GLU HA 25 GLU HB- 2.44131 (# 377 4.206 2.196 31.398 42.383 GLU 24 HA GLU 24 HB- 0.101E+10)
&rst
ixpk= 377, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,
igr2= 362, 363,
&end
#
# 25 GLU HA 25 GLU HB+ 2.88092 (# 376 4.207 2.251 28.629 17.805 GLU 24 HA GLU 24 HB+ 0.374E+09)
&rst
ixpk= 376, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
igr2= 362, 363,
&end
#
# 25 GLU HA 25 GLU HG- 3.00915 (# 375 4.207 2.452 26.984 37.936 GLU 24 HA GLU 24 HG- 0.288E+09)
&rst
ixpk= 375, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
igr2= 365, 366,
&end
#
# 25 GLU HA 25 GLU HG+ 3.21122 (# 374 4.209 2.594 24.531 40.307 GLU 24 HA GLU 24 HG+ 0.195E+09)
&rst
ixpk= 374, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
igr2= 365, 366,
&end
#
# 25 GLU HA 28 GLU HB- 4.17115 (# 378 4.209 2.097 21.398 20.658 GLU 24 HA GLU 27 HB- 0.406E+08)
&rst
ixpk= 378, nxpk= 0, iat= 360, -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
igr2= 402, 403,
&end
#
# 25 GLU HB+ 24 VAL QG1 3.84024 (# 509 2.240 1.003 19.367 17.770 GLU 24 HB+ VAL 23 QG1 6.66667e+07)
&rst
ixpk= 509, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
igr1= 362, 363,
igr2= 348, 349, 350,
&end
#
# 25 GLU HG+ 24 VAL QG1 6.64514 (# 549 2.592 1.000 10.904 14.049 GLU 24 HG+ VAL 23 QG1 2.48333e+06)
&rst
ixpk= 549, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
igr1= 365, 366,
igr2= 348, 349, 350,
&end
#
# 25 GLU HN 21 LYS HA 3.99369 (# 77 8.273 4.099 12.195 18.498 GLU 24 HN LYS 20 HA 0.527E+08)
&rst
ixpk= 77, nxpk= 0, iat= 358, 291, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49, &end
#
# 25 GLU HN 23 VAL HN 4.55311 (# 228 8.277 7.900 11.926 20.082 GLU 24 HN VAL 22 HN 0.240E+08)
&rst
ixpk= 228, nxpk= 0, iat= 358, 326, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05, &end
#
# 25 GLU HN 24 VAL HA 3.64616 (# 78 8.274 3.888 14.543 22.383 GLU 24 HN VAL 23 HA 0.910E+08)
&rst
ixpk= 78, nxpk= 0, iat= 358, 344, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 25 GLU HN 24 VAL HN 3.35104 (# 11 8.273 7.994 14.238 17.641 GLU 24 HN VAL 23 HN 0.151E+09)
&rst
ixpk= 11, nxpk= 0, iat= 358, 342, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85, &end
#
# 25 GLU HN 24 VAL QG1 4.79769 (# 454 8.273 1.002 13.945 21.361 GLU 24 HN VAL 23 QG1 1.75333e+07)
&rst
ixpk= 454, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
igr2= 348, 349, 350,
&end
#
# 25 GLU HN 24 VAL QG2 5.17495 (# 453 8.273 1.086 13.945 18.074 GLU 24 HN VAL 23 QG2 1.11333e+07)
&rst
ixpk= 453, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
igr2= 352, 353, 354,
&end
#
# 25 GLU HN 25 GLU HA 3.2855 (# 72 8.276 4.213 15.107 23.756 GLU 24 HN GLU 24 HA 0.170E+09)
&rst
ixpk= 72, nxpk= 0, iat= 358, 360, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 25 GLU HN 25 GLU HG+ 3.7347 (# 79 8.274 2.590 13.533 32.488 GLU 24 HN GLU 24 HG+ 0.788E+08)
&rst
ixpk= 79, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
igr2= 365, 366,
&end
#
# 25 GLU HN 25 GLU QB 2.6568 (# 269 8.276 2.212 11.410 44.039 GLU 24 HN GLU 24 QB 0.608E+09)
&rst
ixpk= 269, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,
igr2= 362, 363,
&end
#
# 25 GLU HN 26 GLU HN 3.1977 (# 10 8.275 8.141 13.629 19.342 GLU 24 HN GLU 25 HN 0.200E+09)
&rst
ixpk= 10, nxpk= 0, iat= 358, 373, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70, &end
#
# 25 GLU HN 27 ALA HN 3.91813 (# 9 8.276 8.051 7.619 12.535 GLU 24 HN ALA 26 HN 0.591E+08)
&rst
ixpk= 9, nxpk= 0, iat= 358, 388, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42, &end
#
# 25 GLU HN 27 ALA QB 7.26856 (# 271 8.275 1.551 11.504 13.285 GLU 24 HN ALA 26 QB 1450000)
&rst
ixpk= 271, nxpk= 0, iat= 358, -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
igr2= 392, 393, 394,
&end
#
# 26 GLU HA 26 GLU HG- 3.84765 (# 356 4.297 2.540 17.008 23.158 GLU 25 HA GLU 25 HG- 0.659E+08)
&rst
ixpk= 356, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 380, 381,
&end
#
# 26 GLU HA 26 GLU HG+ 4.37243 (# 355 4.297 2.652 16.480 27.418 GLU 25 HA GLU 25 HG+ 0.306E+08)
&rst
ixpk= 355, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
igr2= 380, 381,
&end
#
# 26 GLU HA 26 GLU QB 2.84528 (# 358 4.296 2.212 20.600 36.562 GLU 25 HA GLU 25 QB 0.403E+09)
&rst
ixpk= 358, nxpk= 0, iat= 375, -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
igr2= 377, 378,
&end
#
# 26 GLU HN 23 VAL HA 4.50147 (# 123 8.141 3.912 15.365 10.811 GLU 25 HN VAL 22 HA 0.257E+08)
&rst
ixpk= 123, nxpk= 0, iat= 373, 328, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 26 GLU HN 23 VAL QG1 6.10417 (# 463 8.138 1.019 11.656 11.010 GLU 25 HN VAL 22 QG1 4.13333e+06)
&rst
ixpk= 463, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
igr2= 332, 333, 334,
&end
#
# 26 GLU HN 23 VAL QG2 7.54759 (# 461 8.145 1.125 13.605 6.877 GLU 25 HN VAL 22 QG2 1.15667e+06)
&rst
ixpk= 461, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
igr2= 336, 337, 338,
&end
#
# 26 GLU HN 24 VAL HA 4.34449 (# 248 8.141 3.884 16.668 11.760 GLU 25 HN VAL 23 HA 0.318E+08)
&rst
ixpk= 248, nxpk= 0, iat= 373, 344, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84, &end
#
# 26 GLU HN 24 VAL QG1 6.42252 (# 484 8.138 0.995 12.830 11.467 GLU 25 HN VAL 23 QG1 3.04667e+06)
&rst
ixpk= 484, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
igr2= 348, 349, 350,
&end
#
# 26 GLU HN 24 VAL QG2 7.3989 (# 462 8.141 1.091 8.945 15.375 GLU 25 HN VAL 23 QG2 1.30333e+06)
&rst
ixpk= 462, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 8.89, r4= 9.39,
igr2= 352, 353, 354,
&end
#
# 26 GLU HN 25 GLU HA 3.44462 (# 122 8.140 4.211 9.180 23.756 GLU 25 HN GLU 24 HA 0.128E+09)
&rst
ixpk= 122, nxpk= 0, iat= 373, 360, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 26 GLU HN 25 GLU HG+ 5.35774 (# 285 8.138 2.587 7.947 11.443 GLU 25 HN GLU 24 HG+ 0.904E+07)
&rst
ixpk= 285, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
igr2= 365, 366,
&end
#
# 26 GLU HN 25 GLU HN 3.44016 (# 23 8.142 8.275 13.957 14.672 GLU 25 HN GLU 24 HN 0.129E+09)
&rst
ixpk= 23, nxpk= 0, iat= 373, 358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94, &end
#
# 26 GLU HN 26 GLU HA 3.36227 (# 121 8.140 4.298 13.264 23.158 GLU 25 HN GLU 25 HA 0.148E+09)
&rst
ixpk= 121, nxpk= 0, iat= 373, 375, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86, &end
#
# 26 GLU HN 26 GLU HB- 3.25737 (# 290 8.138 2.194 7.607 12.395 GLU 25 HN GLU 25 HB- 0.179E+09)
&rst
ixpk= 290, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
igr2= 377, 378,
&end
#
# 26 GLU HN 26 GLU HB+ 3.3329 (# 126 8.137 2.231 8.627 17.770 GLU 25 HN GLU 25 HB+ 0.156E+09)
&rst
ixpk= 126, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
igr2= 377, 378,
&end
#
# 26 GLU HN 26 GLU HG+ 3.82013 (# 124 8.137 2.647 12.008 24.789 GLU 25 HN GLU 25 HG+ 0.688E+08)
&rst
ixpk= 124, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
igr2= 380, 381,
&end
#
# 26 GLU HN 26 GLU HG- 4.28588 (# 125 8.139 2.539 10.482 28.604 GLU 25 HN GLU 25 HG- 0.345E+08)
&rst
ixpk= 125, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
igr2= 380, 381,
&end
#
# 26 GLU HN 27 ALA HN 2.97087 (# 24 8.139 8.043 10.072 17.359 GLU 25 HN ALA 26 HN 0.311E+09)
&rst
ixpk= 24, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47, &end
#
# 26 GLU HN 27 ALA QB 6.3165 (# 292 8.138 1.549 12.502 11.877 GLU 25 HN ALA 26 QB 3.36667E+06)
&rst
ixpk= 292, nxpk= 0, iat= 373, -1, r1= 1.30, r2= 1.80, r3= 7.59, r4= 8.09,
igr2= 392, 393, 394,
&end
#
# 27 ALA HA 27 ALA QB 3.71505 (# 349 4.365 1.549 16.574 13.838 ALA 26 HA ALA 26 QB 8.13333e+07)
&rst
ixpk= 349, nxpk= 0, iat= 390, -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
igr2= 392, 393, 394,
&end
#
# 27 ALA HN 23 VAL QG1 5.19589 (# 469 8.048 1.015 16.562 12.289 ALA 26 HN VAL 22 QG1 1.08667e+07)
&rst
ixpk= 469, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
igr2= 332, 333, 334,
&end
#
# 27 ALA HN 24 VAL HA 4.21926 (# 166 8.043 3.891 9.273 21.879 ALA 26 HN VAL 23 HA 0.379E+08)
&rst
ixpk= 166, nxpk= 0, iat= 388, 344, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72, &end
#
# 27 ALA HN 24 VAL QG2 6.06408 (# 468 8.047 1.088 20.988 16.467 ALA 26 HN VAL 23 QG2 4300000)
&rst
ixpk= 468, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
igr2= 352, 353, 354,
&end
#
# 27 ALA HN 26 GLU HA 3.64951 (# 165 8.043 4.300 9.414 21.104 ALA 26 HN GLU 25 HA 0.905E+08)
&rst
ixpk= 165, nxpk= 0, iat= 388, 375, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15, &end
#
# 27 ALA HN 26 GLU HN 3.13554 (# 35 8.043 8.140 11.516 18.920 ALA 26 HN GLU 25 HN 0.225E+09)
&rst
ixpk= 35, nxpk= 0, iat= 388, 373, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64, &end
#
# 27 ALA HN 27 ALA HA 3.28873 (# 151 8.043 4.374 8.863 25.012 ALA 26 HN ALA 26 HA 0.169E+09)
&rst
ixpk= 151, nxpk= 0, iat= 388, 390, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79, &end
#
# 27 ALA HN 27 ALA QB 3.69758 (# 168 8.044 1.548 16.223 19.801 ALA 26 HN ALA 26 QB 8.36667E+07)
&rst
ixpk= 168, nxpk= 0, iat= 388, -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
igr2= 392, 393, 394,
&end
#
# 27 ALA HN 29 ASN HN 4.32875 (# 231 8.048 7.839 15.740 19.178 ALA 26 HN ASN 28 HN 0.325E+08)
&rst
ixpk= 231, nxpk= 0, iat= 388, 413, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83, &end
#
# 27 ALA QB 24 VAL QG2 6.73606 (# 533 1.549 1.090 8.957 20.363 ALA 26 QB VAL 23 QG2 2.28888e+06)
&rst
ixpk= 533, nxpk= 0, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 9.72, r4=10.22,
igr1= 392, 393, 394,
igr2= 352, 353, 354,
&end
#
# 28 GLU HA 27 ALA QB 5.52305 (# 326 4.425 1.548 14.965 9.918 GLU 27 HA ALA 26 QB 7.53333E+06)
&rst
ixpk= 326, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
igr2= 392, 393, 394,
&end
#
# 28 GLU HA 28 GLU HB+ 3.3699 (# 322 4.436 2.248 25.740 32.031 GLU 27 HA GLU 27 HB+ 0.146E+09)
&rst
ixpk= 322, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
igr2= 402, 403,
&end
#
# 28 GLU HA 28 GLU HB- 3.80642 (# 323 4.434 2.097 16.188 30.387 GLU 27 HA GLU 27 HB- 0.703E+08)
&rst
ixpk= 323, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
igr2= 402, 403,
&end
#
# 28 GLU HA 28 GLU HG- 3.88074 (# 325 4.430 2.504 26.398 33.674 GLU 27 HA GLU 27 HG- 0.626E+08)
&rst
ixpk= 325, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
igr2= 405, 406,
&end
#
# 28 GLU HA 28 GLU HG+ 4.53134 (# 324 4.430 2.583 22.713 23.604 GLU 27 HA GLU 27 HG+ 0.247E+08)
&rst
ixpk= 324, nxpk= 0, iat= 400, -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
igr2= 405, 406,
&end
#
# 28 GLU HN 25 GLU HA 4.41939 (# 252 8.005 4.212 7.289 20.340 GLU 27 HN GLU 24 HA 0.287E+08)
&rst
ixpk= 252, nxpk= 0, iat= 398, 360, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92, &end
#
# 28 GLU HN 26 GLU HA 5.06263 (# 253 8.005 4.301 8.486 19.707 GLU 27 HN GLU 25 HA 0.127E+08)
&rst
ixpk= 253, nxpk= 0, iat= 398, 375, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56, &end
#
# 28 GLU HN 27 ALA HA 3.57747 (# 170 8.007 4.370 9.520 17.805 GLU 27 HN ALA 26 HA 0.102E+09)
&rst
ixpk= 170, nxpk= 0, iat= 398, 390, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08, &end
#
# 28 GLU HN 27 ALA QB 4.48704 (# 174 8.004 1.550 13.533 16.291 GLU 27 HN ALA 26 QB 26200000)
&rst
ixpk= 174, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
igr2= 392, 393, 394,
&end
#
# 28 GLU HN 28 GLU HA 3.76308 (# 169 8.005 4.428 12.502 22.887 GLU 27 HN GLU 27 HA 0.753E+08)
&rst
ixpk= 169, nxpk= 0, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26, &end
#
# 28 GLU HN 28 GLU HB+ 3.39356 (# 176 8.004 2.237 8.463 21.725 GLU 27 HN GLU 27 HB+ 0.140E+09)
&rst
ixpk= 176, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
igr2= 402, 403,
&end
#
# 28 GLU HN 28 GLU HB- 3.59653 (# 173 8.005 2.096 12.008 30.164 GLU 27 HN GLU 27 HB- 0.988E+08)
&rst
ixpk= 173, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
igr2= 402, 403,
&end
#
# 28 GLU HN 28 GLU HG+ 4.0606 (# 171 8.002 2.590 19.578 33.029 GLU 27 HN GLU 27 HG+ 0.477E+08)
&rst
ixpk= 171, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
igr2= 405, 406,
&end
#
# 28 GLU HN 28 GLU HG- 4.51029 (# 172 8.004 2.513 16.914 29.613 GLU 27 HN GLU 27 HG- 0.254E+08)
&rst
ixpk= 172, nxpk= 0, iat= 398, -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
igr2= 405, 406,
&end
#
# 28 GLU HN 29 ASN HN 3.46757 (# 38 8.003 7.840 18.301 22.383 GLU 27 HN ASN 28 HN 0.123E+09)
&rst
ixpk= 38, nxpk= 0, iat= 398, 413, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97, &end
#
# 29 ASN HD21 29 ASN HD22 2.3232 (# 204 6.759 7.578 9.637 19.260 ASN 28 HD21 ASN 28 HD22 0.136E+10)
&rst
ixpk= 204, nxpk= 0, iat= 422, 423, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, &end
#
# 29 ASN HD22 29 ASN HD21 2.31755 (# 203 7.577 6.760 12.584 18.369 ASN 28 HD22 ASN 28 HD21 0.138E+10)
&rst
ixpk= 203, nxpk= 0, iat= 423, 422, r1= 1.30, r2= 1.80, r3= 2.32, r4= 2.82, &end
#
# 29 ASN HN 25 GLU HA 6.08791 (# 255 7.844 4.215 9.543 22.289 ASN 28 HN GLU 24 HA 0.420E+07)
&rst
ixpk= 255, nxpk= 0, iat= 413, 360, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59, &end
#
# 29 ASN HN 26 GLU HA 4.98106 (# 195 7.838 4.301 9.285 11.795 ASN 28 HN GLU 25 HA 0.140E+08)
&rst
ixpk= 195, nxpk= 0, iat= 413, 375, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48, &end
#
# 29 ASN HN 27 ALA HN 6.82804 (# 230 7.846 8.050 5.400 17.828 ASN 28 HN ALA 26 HN 0.211E+07)
&rst
ixpk= 230, nxpk= 0, iat= 413, 388, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33, &end
#
# 29 ASN HN 27 ALA QB 6.56262 (# 217 7.837 1.549 11.961 14.236 ASN 28 HN ALA 26 QB 2.67667E+06)
&rst
ixpk= 217, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
igr2= 392, 393, 394,
&end
#
# 29 ASN HN 28 GLU HA 4.25954 (# 200 7.838 4.428 12.584 23.604 ASN 28 HN GLU 27 HA 0.358E+08)
&rst
ixpk= 200, nxpk= 0, iat= 413, 400, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76, &end
#
# 29 ASN HN 28 GLU HB- 4.86135 (# 216 7.838 2.095 10.729 27.547 ASN 28 HN GLU 27 HB- 0.162E+08)
&rst
ixpk= 216, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
igr2= 402, 403,
&end
#
# 29 ASN HN 28 GLU HB+ 5.27809 (# 215 7.839 2.247 10.002 18.943 ASN 28 HN GLU 27 HB+ 0.989E+07)
&rst
ixpk= 215, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
igr2= 402, 403,
&end
#
# 29 ASN HN 28 GLU HN 3.71683 (# 47 7.838 8.002 14.943 19.295 ASN 28 HN GLU 27 HN 0.811E+08)
&rst
ixpk= 47, nxpk= 0, iat= 413, 398, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22, &end
#
# 29 ASN HN 29 ASN HA 8.24831 (# 199 7.837 4.624 11.504 47.701 ASN 28 HN ASN 28 HA 0.679E+06)
&rst
ixpk= 199, nxpk= 0, iat= 413, 415, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75, &end
#
# 29 ASN HN 29 ASN HB- 4.04107 (# 202 7.838 2.776 12.184 29.191 ASN 28 HN ASN 28 HB- 0.491E+08)
&rst
ixpk= 202, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
igr2= 417, 418,
&end
#
# 29 ASN HN 29 ASN HB+ 4.83679 (# 201 7.838 2.868 10.916 20.740 ASN 28 HN ASN 28 HB+ 0.167E+08)
&rst
ixpk= 201, nxpk= 0, iat= 413, -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
igr2= 417, 418,
&end
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