NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
624094 | 6f27 | 34203 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 HT1 LYS 1 8.532 2.811 3.598 2 H2 LYS 1 HT2 LYS 1 7.657 4.240 3.855 3 H3 LYS 1 HT3 LYS 1 9.183 4.303 3.123 4 HA LYS 1 HA LYS 1 7.367 4.576 1.518 5 HB2 LYS 1 HB2 LYS 1 8.902 1.985 1.205 6 HB3 LYS 1 HB1 LYS 1 8.168 2.925 -0.092 7 HG2 LYS 1 HG2 LYS 1 9.684 4.776 0.375 8 HG3 LYS 1 HG1 LYS 1 10.414 3.850 1.690 9 HD2 LYS 1 HD2 LYS 1 11.070 2.116 0.063 10 HD3 LYS 1 HD1 LYS 1 10.418 3.121 -1.235 11 HE2 LYS 1 HE2 LYS 1 11.999 4.907 -0.616 12 HE3 LYS 1 HE1 LYS 1 12.668 3.858 0.634 13 HZ1 LYS 1 HZ1 LYS 1 13.259 2.267 -1.137 14 HZ2 LYS 1 HZ2 LYS 1 14.048 3.757 -1.301 15 HZ3 LYS 1 HZ3 LYS 1 12.730 3.382 -2.303 16 H ARG 2 HN ARG 2 5.992 2.981 0.040 17 HA ARG 2 HA ARG 2 4.050 1.823 1.857 18 HB2 ARG 2 HB2 ARG 2 3.229 3.263 0.069 19 HB3 ARG 2 HB1 ARG 2 3.972 2.224 -1.137 20 HG2 ARG 2 HG2 ARG 2 2.462 0.442 -0.630 21 HG3 ARG 2 HG1 ARG 2 1.807 1.323 0.749 22 HD2 ARG 2 HD2 ARG 2 1.641 2.254 -2.114 23 HD3 ARG 2 HD1 ARG 2 0.355 1.394 -1.267 24 HE ARG 2 HE ARG 2 0.386 3.323 0.340 25 HH11 ARG 2 HH11 ARG 2 1.456 3.712 -2.968 26 HH12 ARG 2 HH12 ARG 2 1.086 5.404 -3.034 27 HH21 ARG 2 HH21 ARG 2 -0.137 5.524 0.274 28 HH22 ARG 2 HH22 ARG 2 0.152 6.438 -1.171 29 HA PRO 3 HA PRO 3 5.823 -2.233 1.389 30 HB2 PRO 3 HB2 PRO 3 3.724 -3.554 2.582 31 HB3 PRO 3 HB1 PRO 3 5.040 -2.772 3.464 32 HG2 PRO 3 HG2 PRO 3 2.284 -1.768 2.894 33 HG3 PRO 3 HG1 PRO 3 3.253 -1.615 4.372 34 HD2 PRO 3 HD2 PRO 3 2.973 0.415 2.628 35 HD3 PRO 3 HD1 PRO 3 4.475 0.151 3.537 36 HA PRO 4 HA PRO 4 3.827 -3.421 -2.406 37 HB2 PRO 4 HB2 PRO 4 5.398 -5.891 -2.199 38 HB3 PRO 4 HB1 PRO 4 5.473 -4.607 -3.410 39 HG2 PRO 4 HG2 PRO 4 7.429 -4.977 -1.591 40 HG3 PRO 4 HG1 PRO 4 7.002 -3.375 -2.209 41 HD2 PRO 4 HD2 PRO 4 6.272 -4.663 0.390 42 HD3 PRO 4 HD1 PRO 4 6.737 -2.980 0.058 43 H GLY 5 HN GLY 5 1.907 -4.320 -2.679 44 HA2 GLY 5 HA2 GLY 5 0.547 -6.312 -2.769 45 HA3 GLY 5 HA1 GLY 5 1.304 -6.839 -1.272 46 H PHE 6 HN PHE 6 0.762 -3.624 -0.921 47 HA PHE 6 HA PHE 6 -1.867 -4.096 0.284 48 HB2 PHE 6 HB2 PHE 6 0.382 -2.277 1.121 49 HB3 PHE 6 HB1 PHE 6 -1.258 -2.104 1.747 50 HD1 PHE 6 HD1 PHE 6 1.855 -3.543 2.358 51 HD2 PHE 6 HD2 PHE 6 -2.303 -4.395 2.597 52 HE1 PHE 6 HE1 PHE 6 2.318 -5.279 4.038 53 HE2 PHE 6 HE2 PHE 6 -1.854 -6.127 4.288 54 HZ PHE 6 HZ PHE 6 0.455 -6.575 5.010 55 H SER 7 HN SER 7 -3.436 -2.436 0.141 56 HA SER 7 HA SER 7 -3.772 -1.338 -2.376 57 HB2 SER 7 HB2 SER 7 -5.056 -0.356 0.169 58 HB3 SER 7 HB1 SER 7 -5.710 -0.245 -1.463 59 HG SER 7 HG SER 7 -6.603 -1.991 -0.240 60 HA PRO 8 HA PRO 8 -1.375 2.411 -1.989 61 HB2 PRO 8 HB2 PRO 8 -2.162 3.205 -4.612 62 HB3 PRO 8 HB1 PRO 8 -0.664 2.403 -4.145 63 HG2 PRO 8 HG2 PRO 8 -2.646 1.279 -5.726 64 HG3 PRO 8 HG1 PRO 8 -1.408 0.365 -4.842 65 HD2 PRO 8 HD2 PRO 8 -4.242 0.947 -4.071 66 HD3 PRO 8 HD1 PRO 8 -3.311 -0.551 -3.873 67 H PHE 9 HN PHE 9 -2.142 4.011 -0.874 68 HA PHE 9 HA PHE 9 -4.635 5.333 -1.689 69 HB2 PHE 9 HB2 PHE 9 -3.353 5.022 1.025 70 HB3 PHE 9 HB1 PHE 9 -4.626 6.202 0.706 71 HD1 PHE 9 HD1 PHE 9 -6.716 5.248 -0.516 72 HD2 PHE 9 HD2 PHE 9 -3.965 2.939 1.754 73 HE1 PHE 9 HE1 PHE 9 -8.426 3.527 -0.213 74 HE2 PHE 9 HE2 PHE 9 -5.682 1.208 2.079 75 HZ PHE 9 HZ PHE 9 -7.920 1.496 1.097 Start of MODEL 2 1 H1 LYS 1 HT1 LYS 1 7.808 4.375 3.422 2 H2 LYS 1 HT2 LYS 1 6.660 5.250 2.532 3 H3 LYS 1 HT3 LYS 1 8.318 5.502 2.267 4 HA LYS 1 HA LYS 1 7.454 4.190 0.491 5 HB2 LYS 1 HB2 LYS 1 8.954 2.400 2.403 6 HB3 LYS 1 HB1 LYS 1 8.877 2.236 0.659 7 HG2 LYS 1 HG2 LYS 1 10.123 4.343 0.425 8 HG3 LYS 1 HG1 LYS 1 10.228 4.453 2.185 9 HD2 LYS 1 HD2 LYS 1 11.392 2.267 2.212 10 HD3 LYS 1 HD1 LYS 1 11.362 2.255 0.450 11 HE2 LYS 1 HE2 LYS 1 12.725 4.313 2.184 12 HE3 LYS 1 HE1 LYS 1 13.524 2.987 1.340 13 HZ1 LYS 1 HZ1 LYS 1 12.196 5.358 0.178 14 HZ2 LYS 1 HZ2 LYS 1 12.543 3.983 -0.745 15 HZ3 LYS 1 HZ3 LYS 1 13.802 4.853 -0.015 16 H ARG 2 HN ARG 2 5.578 3.204 -0.034 17 HA ARG 2 HA ARG 2 4.047 1.785 1.927 18 HB2 ARG 2 HB2 ARG 2 2.407 1.446 0.198 19 HB3 ARG 2 HB1 ARG 2 3.009 3.093 0.074 20 HG2 ARG 2 HG2 ARG 2 4.362 2.515 -1.822 21 HG3 ARG 2 HG1 ARG 2 3.960 0.806 -1.637 22 HD2 ARG 2 HD2 ARG 2 2.038 3.031 -2.303 23 HD3 ARG 2 HD1 ARG 2 2.655 1.819 -3.425 24 HE ARG 2 HE ARG 2 1.419 0.533 -1.235 25 HH11 ARG 2 HH11 ARG 2 0.664 2.302 -4.158 26 HH12 ARG 2 HH12 ARG 2 -0.962 1.687 -4.259 27 HH21 ARG 2 HH21 ARG 2 -0.710 -0.295 -1.378 28 HH22 ARG 2 HH22 ARG 2 -1.744 0.208 -2.681 29 HA PRO 3 HA PRO 3 5.910 -2.182 1.337 30 HB2 PRO 3 HB2 PRO 3 3.460 -3.327 2.484 31 HB3 PRO 3 HB1 PRO 3 5.102 -3.321 3.132 32 HG2 PRO 3 HG2 PRO 3 3.128 -1.843 4.223 33 HG3 PRO 3 HG1 PRO 3 4.818 -1.308 4.208 34 HD2 PRO 3 HD2 PRO 3 2.552 -0.475 2.432 35 HD3 PRO 3 HD1 PRO 3 3.834 0.514 3.166 36 HA PRO 4 HA PRO 4 4.254 -3.724 -2.463 37 HB2 PRO 4 HB2 PRO 4 5.005 -6.373 -2.207 38 HB3 PRO 4 HB1 PRO 4 6.065 -5.071 -2.757 39 HG2 PRO 4 HG2 PRO 4 5.822 -6.295 -0.038 40 HG3 PRO 4 HG1 PRO 4 7.281 -5.797 -0.915 41 HD2 PRO 4 HD2 PRO 4 6.244 -4.298 1.048 42 HD3 PRO 4 HD1 PRO 4 6.980 -3.558 -0.389 43 H GLY 5 HN GLY 5 2.116 -3.875 -2.668 44 HA2 GLY 5 HA2 GLY 5 0.116 -5.072 -2.797 45 HA3 GLY 5 HA1 GLY 5 0.788 -6.263 -1.692 46 H PHE 6 HN PHE 6 1.466 -3.527 -0.169 47 HA PHE 6 HA PHE 6 -1.047 -3.600 1.335 48 HB2 PHE 6 HB2 PHE 6 1.763 -2.951 2.195 49 HB3 PHE 6 HB1 PHE 6 0.361 -2.552 3.182 50 HD1 PHE 6 HD1 PHE 6 2.823 -4.944 2.633 51 HD2 PHE 6 HD2 PHE 6 -1.327 -4.555 3.475 52 HE1 PHE 6 HE1 PHE 6 2.806 -7.215 3.585 53 HE2 PHE 6 HE2 PHE 6 -1.351 -6.817 4.438 54 HZ PHE 6 HZ PHE 6 0.715 -8.155 4.492 55 H SER 7 HN SER 7 -2.025 -1.720 1.967 56 HA SER 7 HA SER 7 -1.133 0.731 0.603 57 HB2 SER 7 HB2 SER 7 -4.003 -0.058 1.166 58 HB3 SER 7 HB1 SER 7 -3.433 1.265 0.150 59 HG SER 7 HG SER 7 -3.406 -1.510 -0.342 60 HA PRO 8 HA PRO 8 -1.488 2.509 4.680 61 HB2 PRO 8 HB2 PRO 8 -1.639 5.171 3.563 62 HB3 PRO 8 HB1 PRO 8 -0.240 4.378 4.297 63 HG2 PRO 8 HG2 PRO 8 -0.416 5.020 1.637 64 HG3 PRO 8 HG1 PRO 8 0.590 3.706 2.274 65 HD2 PRO 8 HD2 PRO 8 -2.136 3.573 1.041 66 HD3 PRO 8 HD1 PRO 8 -0.737 2.509 0.781 67 H PHE 9 HN PHE 9 -3.293 2.455 5.751 68 HA PHE 9 HA PHE 9 -5.774 3.444 4.600 69 HB2 PHE 9 HB2 PHE 9 -5.201 1.783 7.060 70 HB3 PHE 9 HB1 PHE 9 -6.813 2.314 6.583 71 HD1 PHE 9 HD1 PHE 9 -7.093 1.912 3.877 72 HD2 PHE 9 HD2 PHE 9 -4.839 -0.451 6.599 73 HE1 PHE 9 HE1 PHE 9 -7.315 -0.007 2.379 74 HE2 PHE 9 HE2 PHE 9 -5.056 -2.388 5.096 75 HZ PHE 9 HZ PHE 9 -6.295 -2.172 2.976 Start of MODEL 3 1 H1 LYS 1 HT1 LYS 1 7.690 3.011 4.290 2 H2 LYS 1 HT2 LYS 1 6.643 4.337 4.335 3 H3 LYS 1 HT3 LYS 1 8.274 4.570 3.979 4 HA LYS 1 HA LYS 1 6.914 4.717 2.000 5 HB2 LYS 1 HB2 LYS 1 8.684 2.268 2.158 6 HB3 LYS 1 HB1 LYS 1 8.104 2.982 0.660 7 HG2 LYS 1 HG2 LYS 1 9.285 5.055 1.189 8 HG3 LYS 1 HG1 LYS 1 9.860 4.333 2.691 9 HD2 LYS 1 HD2 LYS 1 11.054 2.632 1.436 10 HD3 LYS 1 HD1 LYS 1 10.451 3.301 -0.076 11 HE2 LYS 1 HE2 LYS 1 12.234 4.715 1.894 12 HE3 LYS 1 HE1 LYS 1 12.752 3.999 0.372 13 HZ1 LYS 1 HZ1 LYS 1 11.193 5.552 -0.752 14 HZ2 LYS 1 HZ2 LYS 1 12.481 6.322 0.046 15 HZ3 LYS 1 HZ3 LYS 1 10.940 6.322 0.739 16 H ARG 2 HN ARG 2 6.037 3.013 0.256 17 HA ARG 2 HA ARG 2 3.760 1.774 1.598 18 HB2 ARG 2 HB2 ARG 2 3.354 3.175 -0.383 19 HB3 ARG 2 HB1 ARG 2 4.382 2.118 -1.345 20 HG2 ARG 2 HG2 ARG 2 2.810 0.250 -0.856 21 HG3 ARG 2 HG1 ARG 2 1.738 1.421 -0.086 22 HD2 ARG 2 HD2 ARG 2 1.631 2.685 -2.190 23 HD3 ARG 2 HD1 ARG 2 2.677 1.485 -2.946 24 HE ARG 2 HE ARG 2 0.475 0.126 -1.893 25 HH11 ARG 2 HH11 ARG 2 1.213 2.485 -4.348 26 HH12 ARG 2 HH12 ARG 2 -0.144 2.086 -5.362 27 HH21 ARG 2 HH21 ARG 2 -1.314 -0.478 -3.226 28 HH22 ARG 2 HH22 ARG 2 -1.582 0.372 -4.724 29 HA PRO 3 HA PRO 3 5.889 -2.189 1.328 30 HB2 PRO 3 HB2 PRO 3 3.453 -3.231 2.576 31 HB3 PRO 3 HB1 PRO 3 5.108 -3.207 3.194 32 HG2 PRO 3 HG2 PRO 3 3.158 -1.642 4.238 33 HG3 PRO 3 HG1 PRO 3 4.856 -1.138 4.172 34 HD2 PRO 3 HD2 PRO 3 2.581 -0.375 2.381 35 HD3 PRO 3 HD1 PRO 3 3.875 0.637 3.063 36 HA PRO 4 HA PRO 4 4.104 -3.606 -2.466 37 HB2 PRO 4 HB2 PRO 4 5.304 -6.205 -1.703 38 HB3 PRO 4 HB1 PRO 4 5.546 -5.238 -3.162 39 HG2 PRO 4 HG2 PRO 4 7.422 -5.376 -1.278 40 HG3 PRO 4 HG1 PRO 4 7.108 -3.863 -2.147 41 HD2 PRO 4 HD2 PRO 4 6.303 -4.669 0.615 42 HD3 PRO 4 HD1 PRO 4 6.841 -3.087 0.012 43 H GLY 5 HN GLY 5 2.002 -4.007 -2.613 44 HA2 GLY 5 HA2 GLY 5 0.255 -5.630 -2.785 45 HA3 GLY 5 HA1 GLY 5 0.956 -6.497 -1.428 46 H PHE 6 HN PHE 6 1.064 -3.359 -0.533 47 HA PHE 6 HA PHE 6 -1.535 -3.595 0.808 48 HB2 PHE 6 HB2 PHE 6 1.022 -2.308 1.749 49 HB3 PHE 6 HB1 PHE 6 -0.525 -2.121 2.578 50 HD1 PHE 6 HD1 PHE 6 2.437 -3.945 2.505 51 HD2 PHE 6 HD2 PHE 6 -1.756 -4.440 3.023 52 HE1 PHE 6 HE1 PHE 6 2.840 -6.060 3.700 53 HE2 PHE 6 HE2 PHE 6 -1.361 -6.558 4.224 54 HZ PHE 6 HZ PHE 6 0.943 -7.371 4.558 55 H SER 7 HN SER 7 -2.921 -1.906 0.870 56 HA SER 7 HA SER 7 -2.648 0.047 -1.217 57 HB2 SER 7 HB2 SER 7 -4.865 -0.159 0.821 58 HB3 SER 7 HB1 SER 7 -4.936 0.541 -0.792 59 HG SER 7 HG SER 7 -4.377 -1.663 -1.530 60 HA PRO 8 HA PRO 8 -1.371 3.369 1.428 61 HB2 PRO 8 HB2 PRO 8 -2.222 5.370 -0.394 62 HB3 PRO 8 HB1 PRO 8 -0.614 4.650 -0.288 63 HG2 PRO 8 HG2 PRO 8 -2.381 4.360 -2.418 64 HG3 PRO 8 HG1 PRO 8 -0.986 3.318 -2.094 65 HD2 PRO 8 HD2 PRO 8 -3.867 2.890 -1.444 66 HD3 PRO 8 HD1 PRO 8 -2.652 1.715 -1.989 67 H PHE 9 HN PHE 9 -2.470 3.931 3.135 68 HA PHE 9 HA PHE 9 -5.257 4.725 2.947 69 HB2 PHE 9 HB2 PHE 9 -3.500 4.137 5.336 70 HB3 PHE 9 HB1 PHE 9 -5.190 4.627 5.444 71 HD1 PHE 9 HD1 PHE 9 -6.684 3.177 3.636 72 HD2 PHE 9 HD2 PHE 9 -3.163 1.935 5.667 73 HE1 PHE 9 HE1 PHE 9 -7.374 0.829 3.391 74 HE2 PHE 9 HE2 PHE 9 -3.849 -0.400 5.443 75 HZ PHE 9 HZ PHE 9 -5.993 -0.946 4.200 Start of MODEL 4 1 H1 LYS 1 HT1 LYS 1 8.682 4.265 2.526 2 H2 LYS 1 HT2 LYS 1 7.330 5.237 2.221 3 H3 LYS 1 HT3 LYS 1 8.774 5.499 1.363 4 HA LYS 1 HA LYS 1 7.251 4.379 -0.061 5 HB2 LYS 1 HB2 LYS 1 9.669 3.730 -0.104 6 HB3 LYS 1 HB1 LYS 1 9.290 2.396 0.975 7 HG2 LYS 1 HG2 LYS 1 7.740 1.506 -0.743 8 HG3 LYS 1 HG1 LYS 1 8.264 2.793 -1.828 9 HD2 LYS 1 HD2 LYS 1 10.001 0.617 -0.659 10 HD3 LYS 1 HD1 LYS 1 9.444 0.737 -2.326 11 HE2 LYS 1 HE2 LYS 1 10.666 2.864 -2.550 12 HE3 LYS 1 HE1 LYS 1 11.280 2.661 -0.911 13 HZ1 LYS 1 HZ1 LYS 1 12.945 1.872 -2.374 14 HZ2 LYS 1 HZ2 LYS 1 11.834 0.956 -3.270 15 HZ3 LYS 1 HZ3 LYS 1 12.229 0.493 -1.689 16 H ARG 2 HN ARG 2 5.566 2.996 -0.334 17 HA ARG 2 HA ARG 2 4.422 1.862 2.075 18 HB2 ARG 2 HB2 ARG 2 3.406 1.983 -0.765 19 HB3 ARG 2 HB1 ARG 2 2.490 1.369 0.602 20 HG2 ARG 2 HG2 ARG 2 2.617 3.583 1.663 21 HG3 ARG 2 HG1 ARG 2 3.465 4.190 0.239 22 HD2 ARG 2 HD2 ARG 2 1.084 4.735 0.145 23 HD3 ARG 2 HD1 ARG 2 1.545 3.640 -1.159 24 HE ARG 2 HE ARG 2 0.036 2.884 1.255 25 HH11 ARG 2 HH11 ARG 2 1.061 2.255 -2.043 26 HH12 ARG 2 HH12 ARG 2 0.010 0.881 -2.231 27 HH21 ARG 2 HH21 ARG 2 -1.297 1.063 1.018 28 HH22 ARG 2 HH22 ARG 2 -1.280 0.170 -0.479 29 HA PRO 3 HA PRO 3 5.819 -2.267 1.419 30 HB2 PRO 3 HB2 PRO 3 3.782 -3.621 2.634 31 HB3 PRO 3 HB1 PRO 3 5.061 -2.779 3.515 32 HG2 PRO 3 HG2 PRO 3 2.275 -1.875 2.914 33 HG3 PRO 3 HG1 PRO 3 3.215 -1.700 4.408 34 HD2 PRO 3 HD2 PRO 3 2.913 0.328 2.656 35 HD3 PRO 3 HD1 PRO 3 4.389 0.113 3.613 36 HA PRO 4 HA PRO 4 3.807 -3.363 -2.390 37 HB2 PRO 4 HB2 PRO 4 5.125 -5.731 -2.767 38 HB3 PRO 4 HB1 PRO 4 5.807 -4.147 -3.146 39 HG2 PRO 4 HG2 PRO 4 6.234 -5.865 -0.734 40 HG3 PRO 4 HG1 PRO 4 7.410 -4.912 -1.657 41 HD2 PRO 4 HD2 PRO 4 6.403 -4.042 0.683 42 HD3 PRO 4 HD1 PRO 4 6.801 -2.929 -0.641 43 H GLY 5 HN GLY 5 2.037 -4.459 -2.921 44 HA2 GLY 5 HA2 GLY 5 0.630 -6.347 -2.976 45 HA3 GLY 5 HA1 GLY 5 1.351 -6.910 -1.479 46 H PHE 6 HN PHE 6 0.999 -4.051 -0.493 47 HA PHE 6 HA PHE 6 -1.686 -4.499 0.533 48 HB2 PHE 6 HB2 PHE 6 0.539 -2.655 1.394 49 HB3 PHE 6 HB1 PHE 6 -1.080 -2.597 2.092 50 HD1 PHE 6 HD1 PHE 6 2.112 -3.898 2.471 51 HD2 PHE 6 HD2 PHE 6 -1.978 -4.994 2.874 52 HE1 PHE 6 HE1 PHE 6 2.750 -5.691 4.036 53 HE2 PHE 6 HE2 PHE 6 -1.350 -6.785 4.439 54 HZ PHE 6 HZ PHE 6 0.963 -7.156 5.027 55 H SER 7 HN SER 7 -3.292 -3.651 -0.532 56 HA SER 7 HA SER 7 -2.932 -1.075 -1.901 57 HB2 SER 7 HB2 SER 7 -4.952 -3.230 -2.569 58 HB3 SER 7 HB1 SER 7 -4.558 -1.799 -3.527 59 HG SER 7 HG SER 7 -2.670 -3.819 -2.899 60 HA PRO 8 HA PRO 8 -6.176 0.361 0.770 61 HB2 PRO 8 HB2 PRO 8 -6.849 2.522 -0.972 62 HB3 PRO 8 HB1 PRO 8 -5.780 2.574 0.429 63 HG2 PRO 8 HG2 PRO 8 -4.972 2.932 -2.191 64 HG3 PRO 8 HG1 PRO 8 -3.910 2.451 -0.857 65 HD2 PRO 8 HD2 PRO 8 -5.229 0.748 -2.934 66 HD3 PRO 8 HD1 PRO 8 -3.585 0.635 -2.271 67 H PHE 9 HN PHE 9 -8.040 -0.620 0.859 68 HA PHE 9 HA PHE 9 -9.650 -1.017 -1.546 69 HB2 PHE 9 HB2 PHE 9 -9.788 -2.301 1.190 70 HB3 PHE 9 HB1 PHE 9 -10.910 -2.653 -0.121 71 HD1 PHE 9 HD1 PHE 9 -9.578 -3.047 -2.425 72 HD2 PHE 9 HD2 PHE 9 -8.136 -3.874 1.478 73 HE1 PHE 9 HE1 PHE 9 -8.016 -4.676 -3.366 74 HE2 PHE 9 HE2 PHE 9 -6.555 -5.524 0.554 75 HZ PHE 9 HZ PHE 9 -6.491 -5.929 -1.880 Start of MODEL 5 1 H1 LYS 1 HT1 LYS 1 7.007 4.879 3.429 2 H2 LYS 1 HT2 LYS 1 8.678 4.972 3.165 3 H3 LYS 1 HT3 LYS 1 8.025 3.657 4.019 4 HA LYS 1 HA LYS 1 7.551 4.293 1.169 5 HB2 LYS 1 HB2 LYS 1 9.064 2.018 2.473 6 HB3 LYS 1 HB1 LYS 1 8.742 2.167 0.751 7 HG2 LYS 1 HG2 LYS 1 10.387 4.083 2.382 8 HG3 LYS 1 HG1 LYS 1 11.024 2.807 1.344 9 HD2 LYS 1 HD2 LYS 1 10.000 3.855 -0.599 10 HD3 LYS 1 HD1 LYS 1 9.315 5.116 0.430 11 HE2 LYS 1 HE2 LYS 1 12.251 4.564 0.037 12 HE3 LYS 1 HE1 LYS 1 11.345 5.879 -0.708 13 HZ1 LYS 1 HZ1 LYS 1 11.726 5.504 2.218 14 HZ2 LYS 1 HZ2 LYS 1 10.915 6.796 1.470 15 HZ3 LYS 1 HZ3 LYS 1 12.585 6.599 1.249 16 H ARG 2 HN ARG 2 5.977 3.136 0.172 17 HA ARG 2 HA ARG 2 4.060 1.847 1.912 18 HB2 ARG 2 HB2 ARG 2 3.993 2.245 -1.090 19 HB3 ARG 2 HB1 ARG 2 2.645 1.720 -0.091 20 HG2 ARG 2 HG2 ARG 2 2.690 3.862 1.083 21 HG3 ARG 2 HG1 ARG 2 4.023 4.392 0.056 22 HD2 ARG 2 HD2 ARG 2 2.557 4.061 -1.918 23 HD3 ARG 2 HD1 ARG 2 1.230 3.677 -0.818 24 HE ARG 2 HE ARG 2 2.581 6.252 -0.487 25 HH11 ARG 2 HH11 ARG 2 -0.220 4.475 -1.594 26 HH12 ARG 2 HH12 ARG 2 -1.269 5.865 -1.603 27 HH21 ARG 2 HH21 ARG 2 1.235 8.116 -0.617 28 HH22 ARG 2 HH22 ARG 2 -0.424 7.936 -1.094 29 HA PRO 3 HA PRO 3 5.865 -2.180 1.279 30 HB2 PRO 3 HB2 PRO 3 3.870 -3.570 2.531 31 HB3 PRO 3 HB1 PRO 3 5.178 -2.738 3.379 32 HG2 PRO 3 HG2 PRO 3 2.370 -1.841 2.880 33 HG3 PRO 3 HG1 PRO 3 3.357 -1.685 4.346 34 HD2 PRO 3 HD2 PRO 3 2.982 0.371 2.642 35 HD3 PRO 3 HD1 PRO 3 4.499 0.146 3.536 36 HA PRO 4 HA PRO 4 3.782 -3.471 -2.416 37 HB2 PRO 4 HB2 PRO 4 5.207 -6.017 -2.041 38 HB3 PRO 4 HB1 PRO 4 5.306 -4.856 -3.370 39 HG2 PRO 4 HG2 PRO 4 7.319 -5.140 -1.609 40 HG3 PRO 4 HG1 PRO 4 6.892 -3.565 -2.305 41 HD2 PRO 4 HD2 PRO 4 6.244 -4.678 0.401 42 HD3 PRO 4 HD1 PRO 4 6.753 -3.035 -0.055 43 H GLY 5 HN GLY 5 2.178 -4.936 -3.095 44 HA2 GLY 5 HA2 GLY 5 0.794 -6.852 -2.797 45 HA3 GLY 5 HA1 GLY 5 1.239 -6.882 -1.097 46 H PHE 6 HN PHE 6 0.697 -3.744 -1.743 47 HA PHE 6 HA PHE 6 -2.133 -3.945 -0.985 48 HB2 PHE 6 HB2 PHE 6 -0.055 -1.894 -0.204 49 HB3 PHE 6 HB1 PHE 6 -1.775 -1.714 0.123 50 HD1 PHE 6 HD1 PHE 6 1.261 -2.761 1.422 51 HD2 PHE 6 HD2 PHE 6 -2.856 -3.823 1.338 52 HE1 PHE 6 HE1 PHE 6 1.558 -4.040 3.508 53 HE2 PHE 6 HE2 PHE 6 -2.579 -5.094 3.428 54 HZ PHE 6 HZ PHE 6 -0.416 -5.271 4.482 55 H SER 7 HN SER 7 -3.617 -2.841 -2.156 56 HA SER 7 HA SER 7 -3.068 -1.927 -4.749 57 HB2 SER 7 HB2 SER 7 -5.410 -1.236 -2.948 58 HB3 SER 7 HB1 SER 7 -5.380 -1.076 -4.706 59 HG SER 7 HG SER 7 -4.644 -3.560 -4.068 60 HA PRO 8 HA PRO 8 -1.656 2.163 -4.085 61 HB2 PRO 8 HB2 PRO 8 -2.918 3.200 -6.464 62 HB3 PRO 8 HB1 PRO 8 -1.228 2.739 -6.232 63 HG2 PRO 8 HG2 PRO 8 -2.972 1.396 -7.858 64 HG3 PRO 8 HG1 PRO 8 -1.558 0.651 -7.095 65 HD2 PRO 8 HD2 PRO 8 -4.428 0.587 -6.233 66 HD3 PRO 8 HD1 PRO 8 -3.237 -0.731 -6.255 67 H PHE 9 HN PHE 9 -2.484 3.308 -2.578 68 HA PHE 9 HA PHE 9 -5.082 4.633 -2.964 69 HB2 PHE 9 HB2 PHE 9 -3.678 3.821 -0.406 70 HB3 PHE 9 HB1 PHE 9 -5.135 4.811 -0.460 71 HD1 PHE 9 HD1 PHE 9 -6.989 3.755 -2.057 72 HD2 PHE 9 HD2 PHE 9 -3.980 1.598 0.014 73 HE1 PHE 9 HE1 PHE 9 -8.372 1.747 -2.177 74 HE2 PHE 9 HE2 PHE 9 -5.367 -0.434 -0.077 75 HZ PHE 9 HZ PHE 9 -7.572 -0.365 -1.178 Start of MODEL 6 1 H1 LYS 1 HT1 LYS 1 9.229 4.652 1.991 2 H2 LYS 1 HT2 LYS 1 8.681 3.223 2.720 3 H3 LYS 1 HT3 LYS 1 7.943 4.697 3.093 4 HA LYS 1 HA LYS 1 6.970 4.906 1.002 5 HB2 LYS 1 HB2 LYS 1 7.437 3.440 -0.855 6 HB3 LYS 1 HB1 LYS 1 8.955 4.097 -0.257 7 HG2 LYS 1 HG2 LYS 1 9.418 2.017 0.907 8 HG3 LYS 1 HG1 LYS 1 7.871 1.362 0.363 9 HD2 LYS 1 HD2 LYS 1 8.637 1.685 -1.985 10 HD3 LYS 1 HD1 LYS 1 10.219 2.148 -1.356 11 HE2 LYS 1 HE2 LYS 1 10.410 -0.028 -0.257 12 HE3 LYS 1 HE1 LYS 1 8.840 -0.495 -0.904 13 HZ1 LYS 1 HZ1 LYS 1 11.271 0.144 -2.484 14 HZ2 LYS 1 HZ2 LYS 1 9.754 -0.220 -3.143 15 HZ3 LYS 1 HZ3 LYS 1 10.596 -1.400 -2.267 16 H ARG 2 HN ARG 2 5.536 3.029 -0.202 17 HA ARG 2 HA ARG 2 4.148 1.772 2.027 18 HB2 ARG 2 HB2 ARG 2 3.355 1.968 -0.881 19 HB3 ARG 2 HB1 ARG 2 2.344 1.353 0.422 20 HG2 ARG 2 HG2 ARG 2 3.070 3.825 1.345 21 HG3 ARG 2 HG1 ARG 2 2.895 4.092 -0.392 22 HD2 ARG 2 HD2 ARG 2 0.828 2.776 1.365 23 HD3 ARG 2 HD1 ARG 2 0.816 4.475 0.906 24 HE ARG 2 HE ARG 2 0.920 2.806 -1.388 25 HH11 ARG 2 HH11 ARG 2 -1.216 3.945 1.121 26 HH12 ARG 2 HH12 ARG 2 -2.654 3.828 0.151 27 HH21 ARG 2 HH21 ARG 2 -0.982 2.643 -2.706 28 HH22 ARG 2 HH22 ARG 2 -2.518 3.083 -2.032 29 HA PRO 3 HA PRO 3 6.024 -2.163 1.289 30 HB2 PRO 3 HB2 PRO 3 4.066 -3.697 2.470 31 HB3 PRO 3 HB1 PRO 3 5.338 -2.854 3.358 32 HG2 PRO 3 HG2 PRO 3 2.503 -2.041 2.884 33 HG3 PRO 3 HG1 PRO 3 3.486 -1.892 4.352 34 HD2 PRO 3 HD2 PRO 3 3.042 0.213 2.734 35 HD3 PRO 3 HD1 PRO 3 4.585 -0.008 3.583 36 HA PRO 4 HA PRO 4 4.370 -3.872 -2.419 37 HB2 PRO 4 HB2 PRO 4 4.749 -6.535 -1.144 38 HB3 PRO 4 HB1 PRO 4 5.331 -5.941 -2.703 39 HG2 PRO 4 HG2 PRO 4 6.996 -6.180 -0.637 40 HG3 PRO 4 HG1 PRO 4 7.117 -4.805 -1.751 41 HD2 PRO 4 HD2 PRO 4 5.993 -4.914 1.009 42 HD3 PRO 4 HD1 PRO 4 6.903 -3.616 0.209 43 H GLY 5 HN GLY 5 2.392 -4.432 -3.177 44 HA2 GLY 5 HA2 GLY 5 0.338 -5.686 -3.038 45 HA3 GLY 5 HA1 GLY 5 0.477 -5.634 -1.287 46 H PHE 6 HN PHE 6 1.393 -2.699 -1.985 47 HA PHE 6 HA PHE 6 -1.325 -1.607 -2.130 48 HB2 PHE 6 HB2 PHE 6 1.099 -0.520 -0.686 49 HB3 PHE 6 HB1 PHE 6 -0.420 0.351 -0.871 50 HD1 PHE 6 HD1 PHE 6 1.422 -1.582 1.317 51 HD2 PHE 6 HD2 PHE 6 -2.546 -1.145 -0.152 52 HE1 PHE 6 HE1 PHE 6 0.558 -2.670 3.344 53 HE2 PHE 6 HE2 PHE 6 -3.421 -2.236 1.876 54 HZ PHE 6 HZ PHE 6 -1.866 -3.004 3.626 55 H SER 7 HN SER 7 -1.680 -0.776 -4.062 56 HA SER 7 HA SER 7 0.290 -0.175 -5.968 57 HB2 SER 7 HB2 SER 7 -2.580 0.776 -5.823 58 HB3 SER 7 HB1 SER 7 -1.567 0.770 -7.269 59 HG SER 7 HG SER 7 -3.114 -1.168 -6.421 60 HA PRO 8 HA PRO 8 1.266 3.968 -4.512 61 HB2 PRO 8 HB2 PRO 8 3.203 4.262 -6.581 62 HB3 PRO 8 HB1 PRO 8 3.489 3.779 -4.909 63 HG2 PRO 8 HG2 PRO 8 3.844 2.151 -7.136 64 HG3 PRO 8 HG1 PRO 8 3.684 1.585 -5.466 65 HD2 PRO 8 HD2 PRO 8 1.623 1.739 -7.620 66 HD3 PRO 8 HD1 PRO 8 1.872 0.484 -6.390 67 H PHE 9 HN PHE 9 -0.067 5.508 -4.965 68 HA PHE 9 HA PHE 9 -1.191 7.181 -5.967 69 HB2 PHE 9 HB2 PHE 9 0.944 6.813 -8.073 70 HB3 PHE 9 HB1 PHE 9 -0.209 8.144 -8.050 71 HD1 PHE 9 HD1 PHE 9 2.992 7.621 -7.572 72 HD2 PHE 9 HD2 PHE 9 -0.330 8.958 -5.289 73 HE1 PHE 9 HE1 PHE 9 4.517 8.870 -6.107 74 HE2 PHE 9 HE2 PHE 9 1.185 10.222 -3.813 75 HZ PHE 9 HZ PHE 9 3.523 10.180 -4.129 Start of MODEL 7 1 H1 LYS 1 HT1 LYS 1 8.949 3.292 2.888 2 H2 LYS 1 HT2 LYS 1 7.891 4.588 3.186 3 H3 LYS 1 HT3 LYS 1 9.267 4.823 2.229 4 HA LYS 1 HA LYS 1 7.348 4.688 0.826 5 HB2 LYS 1 HB2 LYS 1 9.001 2.152 0.692 6 HB3 LYS 1 HB1 LYS 1 8.036 2.816 -0.617 7 HG2 LYS 1 HG2 LYS 1 9.470 4.723 -0.801 8 HG3 LYS 1 HG1 LYS 1 10.351 4.260 0.656 9 HD2 LYS 1 HD2 LYS 1 11.126 2.219 -0.477 10 HD3 LYS 1 HD1 LYS 1 10.264 2.714 -1.938 11 HE2 LYS 1 HE2 LYS 1 11.667 4.622 -2.205 12 HE3 LYS 1 HE1 LYS 1 12.382 4.383 -0.610 13 HZ1 LYS 1 HZ1 LYS 1 13.837 3.630 -2.390 14 HZ2 LYS 1 HZ2 LYS 1 12.661 2.515 -2.899 15 HZ3 LYS 1 HZ3 LYS 1 13.383 2.351 -1.376 16 H ARG 2 HN ARG 2 5.846 2.923 -0.205 17 HA ARG 2 HA ARG 2 4.296 1.841 2.013 18 HB2 ARG 2 HB2 ARG 2 3.648 2.183 -0.914 19 HB3 ARG 2 HB1 ARG 2 2.560 1.431 0.246 20 HG2 ARG 2 HG2 ARG 2 3.589 4.261 0.360 21 HG3 ARG 2 HG1 ARG 2 1.970 3.758 -0.136 22 HD2 ARG 2 HD2 ARG 2 1.506 2.913 2.063 23 HD3 ARG 2 HD1 ARG 2 3.168 3.212 2.572 24 HE ARG 2 HE ARG 2 1.890 5.588 1.648 25 HH11 ARG 2 HH11 ARG 2 2.137 3.434 4.407 26 HH12 ARG 2 HH12 ARG 2 1.701 4.657 5.559 27 HH21 ARG 2 HH21 ARG 2 1.341 7.198 3.179 28 HH22 ARG 2 HH22 ARG 2 1.289 6.793 4.867 29 HA PRO 3 HA PRO 3 5.801 -2.260 1.394 30 HB2 PRO 3 HB2 PRO 3 3.263 -3.151 2.602 31 HB3 PRO 3 HB1 PRO 3 4.920 -3.376 3.174 32 HG2 PRO 3 HG2 PRO 3 3.221 -1.687 4.393 33 HG3 PRO 3 HG1 PRO 3 4.954 -1.336 4.259 34 HD2 PRO 3 HD2 PRO 3 2.670 -0.251 2.643 35 HD3 PRO 3 HD1 PRO 3 4.097 0.591 3.288 36 HA PRO 4 HA PRO 4 3.720 -3.361 -2.401 37 HB2 PRO 4 HB2 PRO 4 5.100 -5.696 -2.795 38 HB3 PRO 4 HB1 PRO 4 5.710 -4.098 -3.235 39 HG2 PRO 4 HG2 PRO 4 6.317 -5.759 -0.819 40 HG3 PRO 4 HG1 PRO 4 7.406 -4.762 -1.801 41 HD2 PRO 4 HD2 PRO 4 6.453 -3.927 0.580 42 HD3 PRO 4 HD1 PRO 4 6.761 -2.805 -0.764 43 H GLY 5 HN GLY 5 2.024 -4.619 -2.915 44 HA2 GLY 5 HA2 GLY 5 0.785 -6.696 -2.756 45 HA3 GLY 5 HA1 GLY 5 1.377 -6.866 -1.108 46 H PHE 6 HN PHE 6 0.857 -3.814 -1.040 47 HA PHE 6 HA PHE 6 -2.007 -4.011 -0.429 48 HB2 PHE 6 HB2 PHE 6 0.059 -2.148 0.760 49 HB3 PHE 6 HB1 PHE 6 -1.655 -2.163 1.163 50 HD1 PHE 6 HD1 PHE 6 1.463 -3.188 2.263 51 HD2 PHE 6 HD2 PHE 6 -2.525 -4.611 1.813 52 HE1 PHE 6 HE1 PHE 6 1.867 -4.864 4.020 53 HE2 PHE 6 HE2 PHE 6 -2.121 -6.296 3.562 54 HZ PHE 6 HZ PHE 6 0.074 -6.428 4.671 55 H SER 7 HN SER 7 -3.157 -3.126 -2.003 56 HA SER 7 HA SER 7 -2.121 -0.666 -3.245 57 HB2 SER 7 HB2 SER 7 -3.807 -2.793 -4.579 58 HB3 SER 7 HB1 SER 7 -3.122 -1.361 -5.351 59 HG SER 7 HG SER 7 -1.312 -2.974 -4.017 60 HA PRO 8 HA PRO 8 -6.044 0.985 -1.977 61 HB2 PRO 8 HB2 PRO 8 -5.567 3.405 -3.410 62 HB3 PRO 8 HB1 PRO 8 -5.286 3.103 -1.692 63 HG2 PRO 8 HG2 PRO 8 -3.301 3.584 -3.568 64 HG3 PRO 8 HG1 PRO 8 -3.051 2.786 -2.007 65 HD2 PRO 8 HD2 PRO 8 -3.431 1.569 -4.716 66 HD3 PRO 8 HD1 PRO 8 -2.310 1.093 -3.422 67 H PHE 9 HN PHE 9 -7.820 0.358 -2.887 68 HA PHE 9 HA PHE 9 -8.212 0.500 -5.757 69 HB2 PHE 9 HB2 PHE 9 -9.804 -0.786 -3.541 70 HB3 PHE 9 HB1 PHE 9 -10.339 -0.759 -5.223 71 HD1 PHE 9 HD1 PHE 9 -8.344 -1.502 -6.904 72 HD2 PHE 9 HD2 PHE 9 -8.804 -2.680 -2.845 73 HE1 PHE 9 HE1 PHE 9 -7.014 -3.526 -7.344 74 HE2 PHE 9 HE2 PHE 9 -7.489 -4.696 -3.273 75 HZ PHE 9 HZ PHE 9 -6.510 -5.069 -5.581 Start of MODEL 8 1 H1 LYS 1 HT1 LYS 1 8.533 2.728 3.560 2 H2 LYS 1 HT2 LYS 1 7.497 3.965 4.065 3 H3 LYS 1 HT3 LYS 1 8.969 4.351 3.325 4 HA LYS 1 HA LYS 1 7.130 4.659 1.806 5 HB2 LYS 1 HB2 LYS 1 8.777 2.233 1.059 6 HB3 LYS 1 HB1 LYS 1 8.004 3.359 -0.047 7 HG2 LYS 1 HG2 LYS 1 9.487 5.135 0.694 8 HG3 LYS 1 HG1 LYS 1 10.240 4.041 1.853 9 HD2 LYS 1 HD2 LYS 1 11.690 4.102 -0.009 10 HD3 LYS 1 HD1 LYS 1 10.827 2.566 -0.119 11 HE2 LYS 1 HE2 LYS 1 9.273 3.583 -1.738 12 HE3 LYS 1 HE1 LYS 1 10.195 5.081 -1.646 13 HZ1 LYS 1 HZ1 LYS 1 12.148 3.847 -2.457 14 HZ2 LYS 1 HZ2 LYS 1 10.872 3.852 -3.569 15 HZ3 LYS 1 HZ3 LYS 1 11.182 2.466 -2.644 16 H ARG 2 HN ARG 2 5.731 3.282 0.219 17 HA ARG 2 HA ARG 2 3.917 1.774 1.868 18 HB2 ARG 2 HB2 ARG 2 3.920 2.252 -1.114 19 HB3 ARG 2 HB1 ARG 2 2.646 1.413 -0.241 20 HG2 ARG 2 HG2 ARG 2 2.377 3.521 1.126 21 HG3 ARG 2 HG1 ARG 2 3.434 4.305 -0.049 22 HD2 ARG 2 HD2 ARG 2 1.879 3.612 -1.847 23 HD3 ARG 2 HD1 ARG 2 0.801 2.945 -0.625 24 HE ARG 2 HE ARG 2 1.524 5.796 -0.534 25 HH11 ARG 2 HH11 ARG 2 -0.912 3.287 -0.866 26 HH12 ARG 2 HH12 ARG 2 -2.239 4.406 -0.870 27 HH21 ARG 2 HH21 ARG 2 -0.225 7.258 -0.551 28 HH22 ARG 2 HH22 ARG 2 -1.854 6.653 -0.638 29 HA PRO 3 HA PRO 3 5.988 -2.128 1.249 30 HB2 PRO 3 HB2 PRO 3 3.543 -3.240 2.456 31 HB3 PRO 3 HB1 PRO 3 5.211 -3.314 3.033 32 HG2 PRO 3 HG2 PRO 3 3.354 -1.804 4.254 33 HG3 PRO 3 HG1 PRO 3 5.049 -1.293 4.143 34 HD2 PRO 3 HD2 PRO 3 2.692 -0.426 2.509 35 HD3 PRO 3 HD1 PRO 3 4.010 0.554 3.189 36 HA PRO 4 HA PRO 4 4.191 -3.777 -2.427 37 HB2 PRO 4 HB2 PRO 4 4.764 -6.451 -2.099 38 HB3 PRO 4 HB1 PRO 4 5.907 -5.244 -2.698 39 HG2 PRO 4 HG2 PRO 4 5.623 -6.399 0.042 40 HG3 PRO 4 HG1 PRO 4 7.096 -5.984 -0.855 41 HD2 PRO 4 HD2 PRO 4 6.124 -4.419 1.107 42 HD3 PRO 4 HD1 PRO 4 6.940 -3.745 -0.318 43 H GLY 5 HN GLY 5 2.266 -4.511 -3.088 44 HA2 GLY 5 HA2 GLY 5 0.441 -6.072 -2.998 45 HA3 GLY 5 HA1 GLY 5 0.661 -6.176 -1.261 46 H PHE 6 HN PHE 6 1.030 -3.111 -1.464 47 HA PHE 6 HA PHE 6 -1.801 -2.554 -1.080 48 HB2 PHE 6 HB2 PHE 6 0.677 -0.963 -0.436 49 HB3 PHE 6 HB1 PHE 6 -0.952 -0.312 -0.262 50 HD1 PHE 6 HD1 PHE 6 1.634 -1.861 1.446 51 HD2 PHE 6 HD2 PHE 6 -2.598 -1.961 1.047 52 HE1 PHE 6 HE1 PHE 6 1.447 -2.888 3.672 53 HE2 PHE 6 HE2 PHE 6 -2.792 -2.990 3.274 54 HZ PHE 6 HZ PHE 6 -0.763 -3.457 4.591 55 H SER 7 HN SER 7 -2.987 -1.793 -2.675 56 HA SER 7 HA SER 7 -1.756 -0.747 -5.071 57 HB2 SER 7 HB2 SER 7 -4.716 -0.935 -4.526 58 HB3 SER 7 HB1 SER 7 -3.879 -1.017 -6.075 59 HG SER 7 HG SER 7 -2.843 -2.969 -4.892 60 HA PRO 8 HA PRO 8 -2.557 3.483 -3.790 61 HB2 PRO 8 HB2 PRO 8 -1.460 4.439 -6.249 62 HB3 PRO 8 HB1 PRO 8 -0.673 4.372 -4.672 63 HG2 PRO 8 HG2 PRO 8 0.080 2.861 -6.857 64 HG3 PRO 8 HG1 PRO 8 0.433 2.446 -5.167 65 HD2 PRO 8 HD2 PRO 8 -1.776 1.444 -6.941 66 HD3 PRO 8 HD1 PRO 8 -0.743 0.544 -5.804 67 H PHE 9 HN PHE 9 -4.512 4.239 -3.961 68 HA PHE 9 HA PHE 9 -6.081 3.852 -6.358 69 HB2 PHE 9 HB2 PHE 9 -6.797 5.026 -3.665 70 HB3 PHE 9 HB1 PHE 9 -7.932 4.833 -5.002 71 HD1 PHE 9 HD1 PHE 9 -7.583 2.354 -6.102 72 HD2 PHE 9 HD2 PHE 9 -7.087 3.435 -2.027 73 HE1 PHE 9 HE1 PHE 9 -8.021 0.037 -5.450 74 HE2 PHE 9 HE2 PHE 9 -7.515 1.099 -1.353 75 HZ PHE 9 HZ PHE 9 -7.990 -0.605 -3.065 Start of MODEL 9 1 H1 LYS 1 HT1 LYS 1 7.382 4.884 3.328 2 H2 LYS 1 HT2 LYS 1 6.360 5.592 2.180 3 H3 LYS 1 HT3 LYS 1 8.031 5.860 2.103 4 HA LYS 1 HA LYS 1 7.350 4.291 0.430 5 HB2 LYS 1 HB2 LYS 1 9.576 4.076 1.458 6 HB3 LYS 1 HB1 LYS 1 8.906 3.007 2.687 7 HG2 LYS 1 HG2 LYS 1 8.322 1.391 0.917 8 HG3 LYS 1 HG1 LYS 1 9.058 2.468 -0.275 9 HD2 LYS 1 HD2 LYS 1 11.208 2.256 0.815 10 HD3 LYS 1 HD1 LYS 1 10.493 1.264 2.090 11 HE2 LYS 1 HE2 LYS 1 11.601 -0.182 0.528 12 HE3 LYS 1 HE1 LYS 1 9.863 -0.399 0.350 13 HZ1 LYS 1 HZ1 LYS 1 9.895 0.985 -1.611 14 HZ2 LYS 1 HZ2 LYS 1 11.010 -0.277 -1.787 15 HZ3 LYS 1 HZ3 LYS 1 11.555 1.290 -1.417 16 H ARG 2 HN ARG 2 5.764 3.023 -0.162 17 HA ARG 2 HA ARG 2 4.038 1.820 1.836 18 HB2 ARG 2 HB2 ARG 2 3.842 1.822 -1.181 19 HB3 ARG 2 HB1 ARG 2 2.597 1.265 -0.070 20 HG2 ARG 2 HG2 ARG 2 2.280 3.481 0.782 21 HG3 ARG 2 HG1 ARG 2 3.658 4.081 -0.151 22 HD2 ARG 2 HD2 ARG 2 2.484 3.533 -2.228 23 HD3 ARG 2 HD1 ARG 2 1.110 2.932 -1.299 24 HE ARG 2 HE ARG 2 1.259 5.422 -0.387 25 HH11 ARG 2 HH11 ARG 2 1.417 4.190 -3.670 26 HH12 ARG 2 HH12 ARG 2 0.791 5.651 -4.373 27 HH21 ARG 2 HH21 ARG 2 0.417 7.310 -1.315 28 HH22 ARG 2 HH22 ARG 2 0.222 7.411 -3.037 29 HA PRO 3 HA PRO 3 5.840 -2.228 1.393 30 HB2 PRO 3 HB2 PRO 3 3.445 -3.319 2.645 31 HB3 PRO 3 HB1 PRO 3 5.077 -3.187 3.303 32 HG2 PRO 3 HG2 PRO 3 2.985 -1.725 4.233 33 HG3 PRO 3 HG1 PRO 3 4.661 -1.146 4.277 34 HD2 PRO 3 HD2 PRO 3 2.478 -0.490 2.334 35 HD3 PRO 3 HD1 PRO 3 3.679 0.587 3.083 36 HA PRO 4 HA PRO 4 4.011 -3.486 -2.460 37 HB2 PRO 4 HB2 PRO 4 5.449 -6.014 -1.808 38 HB3 PRO 4 HB1 PRO 4 5.487 -5.041 -3.284 39 HG2 PRO 4 HG2 PRO 4 7.520 -4.976 -1.573 40 HG3 PRO 4 HG1 PRO 4 6.971 -3.502 -2.390 41 HD2 PRO 4 HD2 PRO 4 6.517 -4.390 0.422 42 HD3 PRO 4 HD1 PRO 4 6.794 -2.755 -0.212 43 H GLY 5 HN GLY 5 1.958 -4.067 -2.647 44 HA2 GLY 5 HA2 GLY 5 0.404 -5.897 -2.823 45 HA3 GLY 5 HA1 GLY 5 1.130 -6.599 -1.387 46 H PHE 6 HN PHE 6 1.020 -3.567 -0.475 47 HA PHE 6 HA PHE 6 -1.651 -3.895 0.685 48 HB2 PHE 6 HB2 PHE 6 0.763 -2.427 1.741 49 HB3 PHE 6 HB1 PHE 6 -0.825 -2.387 2.504 50 HD1 PHE 6 HD1 PHE 6 2.277 -3.939 2.582 51 HD2 PHE 6 HD2 PHE 6 -1.875 -4.823 2.829 52 HE1 PHE 6 HE1 PHE 6 2.798 -6.033 3.764 53 HE2 PHE 6 HE2 PHE 6 -1.365 -6.925 4.008 54 HZ PHE 6 HZ PHE 6 0.975 -7.527 4.481 55 H SER 7 HN SER 7 -3.195 -2.520 0.219 56 HA SER 7 HA SER 7 -2.647 -0.318 -1.577 57 HB2 SER 7 HB2 SER 7 -5.278 -1.231 -0.388 58 HB3 SER 7 HB1 SER 7 -5.058 -0.151 -1.765 59 HG SER 7 HG SER 7 -4.063 -2.807 -1.707 60 HA PRO 8 HA PRO 8 -2.695 2.546 1.831 61 HB2 PRO 8 HB2 PRO 8 -1.956 4.718 0.379 62 HB3 PRO 8 HB1 PRO 8 -0.825 3.450 0.868 63 HG2 PRO 8 HG2 PRO 8 -1.870 4.076 -1.791 64 HG3 PRO 8 HG1 PRO 8 -0.485 3.073 -1.336 65 HD2 PRO 8 HD2 PRO 8 -3.179 2.261 -2.044 66 HD3 PRO 8 HD1 PRO 8 -1.737 1.256 -1.805 67 H PHE 9 HN PHE 9 -4.559 3.190 2.589 68 HA PHE 9 HA PHE 9 -6.524 4.454 0.850 69 HB2 PHE 9 HB2 PHE 9 -6.653 3.452 3.695 70 HB3 PHE 9 HB1 PHE 9 -7.977 4.322 2.917 71 HD1 PHE 9 HD1 PHE 9 -8.508 3.360 0.470 72 HD2 PHE 9 HD2 PHE 9 -6.805 1.163 3.688 73 HE1 PHE 9 HE1 PHE 9 -9.314 1.279 -0.535 74 HE2 PHE 9 HE2 PHE 9 -7.616 -0.935 2.689 75 HZ PHE 9 HZ PHE 9 -8.879 -0.883 0.574 Start of MODEL 10 1 H1 LYS 1 HT1 LYS 1 8.270 5.765 2.057 2 H2 LYS 1 HT2 LYS 1 7.523 4.910 3.311 3 H3 LYS 1 HT3 LYS 1 6.584 5.630 2.103 4 HA LYS 1 HA LYS 1 7.512 4.168 0.452 5 HB2 LYS 1 HB2 LYS 1 8.860 2.220 1.230 6 HB3 LYS 1 HB1 LYS 1 9.684 3.767 1.375 7 HG2 LYS 1 HG2 LYS 1 9.293 3.821 3.749 8 HG3 LYS 1 HG1 LYS 1 8.268 2.389 3.648 9 HD2 LYS 1 HD2 LYS 1 10.181 1.040 2.976 10 HD3 LYS 1 HD1 LYS 1 11.217 2.469 3.004 11 HE2 LYS 1 HE2 LYS 1 10.889 2.716 5.373 12 HE3 LYS 1 HE1 LYS 1 9.703 1.413 5.380 13 HZ1 LYS 1 HZ1 LYS 1 11.914 0.725 6.178 14 HZ2 LYS 1 HZ2 LYS 1 12.564 1.065 4.647 15 HZ3 LYS 1 HZ3 LYS 1 11.403 -0.157 4.822 16 H ARG 2 HN ARG 2 5.929 2.876 -0.153 17 HA ARG 2 HA ARG 2 4.128 1.818 1.895 18 HB2 ARG 2 HB2 ARG 2 3.854 2.396 -1.025 19 HB3 ARG 2 HB1 ARG 2 2.763 1.244 -0.260 20 HG2 ARG 2 HG2 ARG 2 2.171 2.991 1.391 21 HG3 ARG 2 HG1 ARG 2 3.171 4.125 0.480 22 HD2 ARG 2 HD2 ARG 2 1.752 4.115 -1.351 23 HD3 ARG 2 HD1 ARG 2 1.012 2.580 -0.896 24 HE ARG 2 HE ARG 2 0.503 4.570 1.068 25 HH11 ARG 2 HH11 ARG 2 -0.454 3.696 -2.187 26 HH12 ARG 2 HH12 ARG 2 -2.100 4.229 -1.969 27 HH21 ARG 2 HH21 ARG 2 -1.625 5.297 1.324 28 HH22 ARG 2 HH22 ARG 2 -2.766 5.130 0.032 29 HA PRO 3 HA PRO 3 5.791 -2.241 1.428 30 HB2 PRO 3 HB2 PRO 3 3.302 -3.249 2.582 31 HB3 PRO 3 HB1 PRO 3 4.928 -3.250 3.267 32 HG2 PRO 3 HG2 PRO 3 2.957 -1.677 4.234 33 HG3 PRO 3 HG1 PRO 3 4.662 -1.193 4.255 34 HD2 PRO 3 HD2 PRO 3 2.483 -0.382 2.368 35 HD3 PRO 3 HD1 PRO 3 3.756 0.611 3.115 36 HA PRO 4 HA PRO 4 3.909 -3.428 -2.446 37 HB2 PRO 4 HB2 PRO 4 5.486 -5.901 -2.070 38 HB3 PRO 4 HB1 PRO 4 5.522 -4.733 -3.391 39 HG2 PRO 4 HG2 PRO 4 7.512 -4.880 -1.607 40 HG3 PRO 4 HG1 PRO 4 6.990 -3.326 -2.289 41 HD2 PRO 4 HD2 PRO 4 6.403 -4.520 0.391 42 HD3 PRO 4 HD1 PRO 4 6.761 -2.834 -0.040 43 H GLY 5 HN GLY 5 1.880 -4.122 -2.514 44 HA2 GLY 5 HA2 GLY 5 0.180 -5.677 -2.563 45 HA3 GLY 5 HA1 GLY 5 1.275 -6.849 -1.859 46 H PHE 6 HN PHE 6 1.183 -4.014 -0.046 47 HA PHE 6 HA PHE 6 -0.742 -5.243 1.793 48 HB2 PHE 6 HB2 PHE 6 1.754 -3.671 2.416 49 HB3 PHE 6 HB1 PHE 6 0.528 -4.063 3.620 50 HD1 PHE 6 HD1 PHE 6 3.561 -5.044 2.264 51 HD2 PHE 6 HD2 PHE 6 -0.134 -6.661 3.639 52 HE1 PHE 6 HE1 PHE 6 4.656 -7.220 2.637 53 HE2 PHE 6 HE2 PHE 6 0.957 -8.836 4.014 54 HZ PHE 6 HZ PHE 6 3.287 -9.145 3.526 55 H SER 7 HN SER 7 -2.353 -4.031 2.608 56 HA SER 7 HA SER 7 -2.723 -1.405 1.410 57 HB2 SER 7 HB2 SER 7 -4.675 -3.085 2.998 58 HB3 SER 7 HB1 SER 7 -5.061 -1.613 2.102 59 HG SER 7 HG SER 7 -4.245 -2.806 0.204 60 HA PRO 8 HA PRO 8 -1.929 0.592 5.314 61 HB2 PRO 8 HB2 PRO 8 -2.908 3.078 4.279 62 HB3 PRO 8 HB1 PRO 8 -1.228 2.557 4.401 63 HG2 PRO 8 HG2 PRO 8 -2.592 2.960 2.032 64 HG3 PRO 8 HG1 PRO 8 -1.148 1.938 2.203 65 HD2 PRO 8 HD2 PRO 8 -4.040 1.150 2.155 66 HD3 PRO 8 HD1 PRO 8 -2.646 0.366 1.383 67 H PHE 9 HN PHE 9 -3.215 0.365 6.946 68 HA PHE 9 HA PHE 9 -6.064 0.960 6.713 69 HB2 PHE 9 HB2 PHE 9 -4.509 -0.762 8.640 70 HB3 PHE 9 HB1 PHE 9 -6.204 -0.352 8.895 71 HD1 PHE 9 HD1 PHE 9 -7.699 -0.743 6.697 72 HD2 PHE 9 HD2 PHE 9 -4.062 -2.741 7.622 73 HE1 PHE 9 HE1 PHE 9 -8.361 -2.616 5.250 74 HE2 PHE 9 HE2 PHE 9 -4.715 -4.611 6.189 75 HZ PHE 9 HZ PHE 9 -6.899 -4.476 4.897 Start of MODEL 11 1 H1 LYS 1 HT1 LYS 1 6.793 4.820 3.613 2 H2 LYS 1 HT2 LYS 1 8.481 4.869 3.452 3 H3 LYS 1 HT3 LYS 1 7.735 3.530 4.175 4 HA LYS 1 HA LYS 1 7.398 4.347 1.346 5 HB2 LYS 1 HB2 LYS 1 9.655 3.480 1.807 6 HB3 LYS 1 HB1 LYS 1 8.963 2.068 2.587 7 HG2 LYS 1 HG2 LYS 1 7.919 1.451 0.418 8 HG3 LYS 1 HG1 LYS 1 8.787 2.792 -0.329 9 HD2 LYS 1 HD2 LYS 1 10.916 1.804 0.327 10 HD3 LYS 1 HD1 LYS 1 10.066 0.473 1.118 11 HE2 LYS 1 HE2 LYS 1 10.011 1.137 -1.829 12 HE3 LYS 1 HE1 LYS 1 10.884 -0.199 -1.078 13 HZ1 LYS 1 HZ1 LYS 1 7.945 0.154 -1.270 14 HZ2 LYS 1 HZ2 LYS 1 8.682 -1.025 -0.293 15 HZ3 LYS 1 HZ3 LYS 1 8.891 -1.065 -1.973 16 H ARG 2 HN ARG 2 5.807 3.249 0.244 17 HA ARG 2 HA ARG 2 3.897 1.771 1.800 18 HB2 ARG 2 HB2 ARG 2 4.094 2.417 -1.130 19 HB3 ARG 2 HB1 ARG 2 2.843 1.353 -0.504 20 HG2 ARG 2 HG2 ARG 2 1.756 3.374 -0.548 21 HG3 ARG 2 HG1 ARG 2 2.343 3.339 1.111 22 HD2 ARG 2 HD2 ARG 2 2.781 5.513 0.248 23 HD3 ARG 2 HD1 ARG 2 4.324 4.668 0.348 24 HE ARG 2 HE ARG 2 3.562 4.172 -2.196 25 HH11 ARG 2 HH11 ARG 2 3.819 7.144 -0.345 26 HH12 ARG 2 HH12 ARG 2 4.156 8.118 -1.737 27 HH21 ARG 2 HH21 ARG 2 3.994 5.471 -4.018 28 HH22 ARG 2 HH22 ARG 2 4.205 7.185 -3.820 29 HA PRO 3 HA PRO 3 5.907 -2.133 1.248 30 HB2 PRO 3 HB2 PRO 3 3.591 -3.332 2.523 31 HB3 PRO 3 HB1 PRO 3 5.223 -3.136 3.160 32 HG2 PRO 3 HG2 PRO 3 3.073 -1.784 4.131 33 HG3 PRO 3 HG1 PRO 3 4.728 -1.145 4.179 34 HD2 PRO 3 HD2 PRO 3 2.504 -0.522 2.271 35 HD3 PRO 3 HD1 PRO 3 3.685 0.576 3.022 36 HA PRO 4 HA PRO 4 4.140 -3.707 -2.470 37 HB2 PRO 4 HB2 PRO 4 5.202 -6.316 -1.537 38 HB3 PRO 4 HB1 PRO 4 5.490 -5.464 -3.059 39 HG2 PRO 4 HG2 PRO 4 7.367 -5.549 -1.177 40 HG3 PRO 4 HG1 PRO 4 7.097 -4.070 -2.122 41 HD2 PRO 4 HD2 PRO 4 6.263 -4.713 0.674 42 HD3 PRO 4 HD1 PRO 4 6.858 -3.183 0.002 43 H GLY 5 HN GLY 5 2.077 -4.180 -2.791 44 HA2 GLY 5 HA2 GLY 5 0.217 -5.604 -2.828 45 HA3 GLY 5 HA1 GLY 5 0.891 -6.494 -1.471 46 H PHE 6 HN PHE 6 1.261 -3.459 -0.486 47 HA PHE 6 HA PHE 6 -1.367 -3.430 0.808 48 HB2 PHE 6 HB2 PHE 6 1.293 -2.368 1.751 49 HB3 PHE 6 HB1 PHE 6 -0.230 -2.063 2.582 50 HD1 PHE 6 HD1 PHE 6 2.579 -4.093 2.546 51 HD2 PHE 6 HD2 PHE 6 -1.644 -4.294 2.985 52 HE1 PHE 6 HE1 PHE 6 2.815 -6.220 3.753 53 HE2 PHE 6 HE2 PHE 6 -1.418 -6.426 4.201 54 HZ PHE 6 HZ PHE 6 0.815 -7.391 4.586 55 H SER 7 HN SER 7 -2.718 -1.887 0.289 56 HA SER 7 HA SER 7 -1.652 0.575 -0.915 57 HB2 SER 7 HB2 SER 7 -4.231 -0.831 -1.617 58 HB3 SER 7 HB1 SER 7 -3.611 0.636 -2.369 59 HG SER 7 HG SER 7 -1.674 -1.092 -2.561 60 HA PRO 8 HA PRO 8 -4.152 2.619 2.125 61 HB2 PRO 8 HB2 PRO 8 -4.105 5.084 0.691 62 HB3 PRO 8 HB1 PRO 8 -3.045 4.596 2.013 63 HG2 PRO 8 HG2 PRO 8 -2.233 5.002 -0.600 64 HG3 PRO 8 HG1 PRO 8 -1.355 4.041 0.602 65 HD2 PRO 8 HD2 PRO 8 -3.205 3.123 -1.565 66 HD3 PRO 8 HD1 PRO 8 -1.684 2.396 -1.004 67 H PHE 9 HN PHE 9 -6.227 2.344 2.254 68 HA PHE 9 HA PHE 9 -8.026 2.238 0.114 69 HB2 PHE 9 HB2 PHE 9 -8.508 2.493 3.084 70 HB3 PHE 9 HB1 PHE 9 -9.787 2.212 1.905 71 HD1 PHE 9 HD1 PHE 9 -9.010 0.277 0.145 72 HD2 PHE 9 HD2 PHE 9 -7.866 0.608 4.223 73 HE1 PHE 9 HE1 PHE 9 -8.572 -2.133 0.203 74 HE2 PHE 9 HE2 PHE 9 -7.417 -1.812 4.301 75 HZ PHE 9 HZ PHE 9 -7.775 -3.191 2.287 Start of MODEL 12 1 H1 LYS 1 HT1 LYS 1 8.170 3.209 3.895 2 H2 LYS 1 HT2 LYS 1 9.420 3.901 2.983 3 H3 LYS 1 HT3 LYS 1 9.025 2.263 2.781 4 HA LYS 1 HA LYS 1 7.308 4.574 2.098 5 HB2 LYS 1 HB2 LYS 1 8.751 2.524 0.393 6 HB3 LYS 1 HB1 LYS 1 7.571 3.667 -0.227 7 HG2 LYS 1 HG2 LYS 1 10.171 4.424 1.097 8 HG3 LYS 1 HG1 LYS 1 9.890 4.364 -0.646 9 HD2 LYS 1 HD2 LYS 1 8.132 6.065 -0.406 10 HD3 LYS 1 HD1 LYS 1 8.453 6.139 1.330 11 HE2 LYS 1 HE2 LYS 1 10.750 6.863 0.872 12 HE3 LYS 1 HE1 LYS 1 10.427 6.794 -0.859 13 HZ1 LYS 1 HZ1 LYS 1 8.802 8.539 -0.617 14 HZ2 LYS 1 HZ2 LYS 1 10.273 9.050 0.047 15 HZ3 LYS 1 HZ3 LYS 1 9.011 8.562 1.066 16 H ARG 2 HN ARG 2 5.735 3.316 0.262 17 HA ARG 2 HA ARG 2 3.977 1.806 1.943 18 HB2 ARG 2 HB2 ARG 2 3.077 3.294 0.235 19 HB3 ARG 2 HB1 ARG 2 3.894 2.381 -1.025 20 HG2 ARG 2 HG2 ARG 2 2.477 0.500 -0.697 21 HG3 ARG 2 HG1 ARG 2 1.779 1.205 0.763 22 HD2 ARG 2 HD2 ARG 2 1.526 2.403 -1.996 23 HD3 ARG 2 HD1 ARG 2 0.312 1.372 -1.233 24 HE ARG 2 HE ARG 2 1.173 3.900 0.019 25 HH11 ARG 2 HH11 ARG 2 -1.349 1.902 -1.358 26 HH12 ARG 2 HH12 ARG 2 -2.637 2.833 -0.668 27 HH21 ARG 2 HH21 ARG 2 -0.523 5.117 0.946 28 HH22 ARG 2 HH22 ARG 2 -2.172 4.644 0.659 29 HA PRO 3 HA PRO 3 5.986 -2.092 1.177 30 HB2 PRO 3 HB2 PRO 3 4.129 -3.643 2.440 31 HB3 PRO 3 HB1 PRO 3 5.371 -2.712 3.291 32 HG2 PRO 3 HG2 PRO 3 2.495 -2.050 2.807 33 HG3 PRO 3 HG1 PRO 3 3.464 -1.820 4.276 34 HD2 PRO 3 HD2 PRO 3 2.907 0.204 2.567 35 HD3 PRO 3 HD1 PRO 3 4.425 0.121 3.482 36 HA PRO 4 HA PRO 4 4.193 -3.823 -2.449 37 HB2 PRO 4 HB2 PRO 4 4.936 -6.474 -1.335 38 HB3 PRO 4 HB1 PRO 4 5.391 -5.735 -2.876 39 HG2 PRO 4 HG2 PRO 4 7.137 -5.917 -0.873 40 HG3 PRO 4 HG1 PRO 4 7.094 -4.486 -1.919 41 HD2 PRO 4 HD2 PRO 4 6.039 -4.845 0.860 42 HD3 PRO 4 HD1 PRO 4 6.838 -3.436 0.131 43 H GLY 5 HN GLY 5 2.310 -4.727 -3.146 44 HA2 GLY 5 HA2 GLY 5 0.440 -6.203 -2.925 45 HA3 GLY 5 HA1 GLY 5 0.643 -6.141 -1.186 46 H PHE 6 HN PHE 6 1.093 -3.155 -1.583 47 HA PHE 6 HA PHE 6 -1.749 -2.453 -1.550 48 HB2 PHE 6 HB2 PHE 6 0.645 -1.045 -0.354 49 HB3 PHE 6 HB1 PHE 6 -0.981 -0.379 -0.364 50 HD1 PHE 6 HD1 PHE 6 1.314 -2.140 1.544 51 HD2 PHE 6 HD2 PHE 6 -2.813 -2.072 0.519 52 HE1 PHE 6 HE1 PHE 6 0.781 -3.375 3.609 53 HE2 PHE 6 HE2 PHE 6 -3.354 -3.294 2.575 54 HZ PHE 6 HZ PHE 6 -1.560 -3.950 4.124 55 H SER 7 HN SER 7 -2.535 -1.475 -3.265 56 HA SER 7 HA SER 7 -0.990 -0.715 -5.486 57 HB2 SER 7 HB2 SER 7 -3.806 0.181 -4.897 58 HB3 SER 7 HB1 SER 7 -3.066 -0.087 -6.473 59 HG SER 7 HG SER 7 -3.493 -2.147 -6.324 60 HA PRO 8 HA PRO 8 -0.127 3.497 -4.158 61 HB2 PRO 8 HB2 PRO 8 1.673 3.790 -6.332 62 HB3 PRO 8 HB1 PRO 8 2.080 3.409 -4.656 63 HG2 PRO 8 HG2 PRO 8 2.400 1.696 -6.842 64 HG3 PRO 8 HG1 PRO 8 2.399 1.213 -5.139 65 HD2 PRO 8 HD2 PRO 8 0.187 1.109 -7.143 66 HD3 PRO 8 HD1 PRO 8 0.607 -0.049 -5.860 67 H PHE 9 HN PHE 9 -1.526 4.982 -4.686 68 HA PHE 9 HA PHE 9 -2.917 5.067 -7.138 69 HB2 PHE 9 HB2 PHE 9 -2.810 6.996 -4.821 70 HB3 PHE 9 HB1 PHE 9 -3.821 7.257 -6.242 71 HD1 PHE 9 HD1 PHE 9 -5.159 5.017 -6.918 72 HD2 PHE 9 HD2 PHE 9 -3.873 6.094 -3.014 73 HE1 PHE 9 HE1 PHE 9 -6.899 3.588 -5.959 74 HE2 PHE 9 HE2 PHE 9 -5.626 4.673 -2.037 75 HZ PHE 9 HZ PHE 9 -7.147 3.414 -3.513 Start of MODEL 13 1 H1 LYS 1 HT1 LYS 1 8.164 4.493 2.901 2 H2 LYS 1 HT2 LYS 1 7.069 5.490 2.075 3 H3 LYS 1 HT3 LYS 1 8.709 5.483 1.634 4 HA LYS 1 HA LYS 1 7.367 4.241 0.065 5 HB2 LYS 1 HB2 LYS 1 9.690 3.576 0.399 6 HB3 LYS 1 HB1 LYS 1 9.235 2.581 1.772 7 HG2 LYS 1 HG2 LYS 1 7.923 1.137 0.289 8 HG3 LYS 1 HG1 LYS 1 8.410 2.126 -1.087 9 HD2 LYS 1 HD2 LYS 1 10.749 1.558 -0.671 10 HD3 LYS 1 HD1 LYS 1 10.270 0.578 0.717 11 HE2 LYS 1 HE2 LYS 1 10.672 -0.794 -1.275 12 HE3 LYS 1 HE1 LYS 1 8.995 -0.897 -0.734 13 HZ1 LYS 1 HZ1 LYS 1 8.380 0.686 -2.447 14 HZ2 LYS 1 HZ2 LYS 1 9.146 -0.655 -3.137 15 HZ3 LYS 1 HZ3 LYS 1 9.991 0.806 -2.963 16 H ARG 2 HN ARG 2 5.633 2.966 -0.286 17 HA ARG 2 HA ARG 2 4.310 1.829 2.035 18 HB2 ARG 2 HB2 ARG 2 2.426 1.411 0.486 19 HB3 ARG 2 HB1 ARG 2 2.924 3.095 0.513 20 HG2 ARG 2 HG2 ARG 2 4.119 2.780 -1.592 21 HG3 ARG 2 HG1 ARG 2 3.623 1.081 -1.613 22 HD2 ARG 2 HD2 ARG 2 1.275 1.771 -1.664 23 HD3 ARG 2 HD1 ARG 2 1.765 3.467 -1.631 24 HE ARG 2 HE ARG 2 3.008 2.223 -3.818 25 HH11 ARG 2 HH11 ARG 2 -0.171 3.209 -2.744 26 HH12 ARG 2 HH12 ARG 2 -0.819 3.366 -4.347 27 HH21 ARG 2 HH21 ARG 2 2.186 2.449 -5.924 28 HH22 ARG 2 HH22 ARG 2 0.540 2.958 -6.167 29 HA PRO 3 HA PRO 3 5.836 -2.259 1.423 30 HB2 PRO 3 HB2 PRO 3 3.292 -3.222 2.552 31 HB3 PRO 3 HB1 PRO 3 4.939 -3.398 3.174 32 HG2 PRO 3 HG2 PRO 3 3.161 -1.747 4.352 33 HG3 PRO 3 HG1 PRO 3 4.887 -1.353 4.258 34 HD2 PRO 3 HD2 PRO 3 2.620 -0.340 2.592 35 HD3 PRO 3 HD1 PRO 3 4.002 0.542 3.279 36 HA PRO 4 HA PRO 4 4.064 -3.536 -2.475 37 HB2 PRO 4 HB2 PRO 4 5.343 -6.120 -1.786 38 HB3 PRO 4 HB1 PRO 4 5.540 -5.110 -3.224 39 HG2 PRO 4 HG2 PRO 4 7.452 -5.229 -1.367 40 HG3 PRO 4 HG1 PRO 4 7.069 -3.707 -2.191 41 HD2 PRO 4 HD2 PRO 4 6.327 -4.611 0.561 42 HD3 PRO 4 HD1 PRO 4 6.819 -3.003 -0.011 43 H GLY 5 HN GLY 5 2.051 -4.148 -2.778 44 HA2 GLY 5 HA2 GLY 5 0.286 -5.705 -2.807 45 HA3 GLY 5 HA1 GLY 5 1.026 -6.547 -1.457 46 H PHE 6 HN PHE 6 1.311 -3.613 -0.414 47 HA PHE 6 HA PHE 6 -1.358 -3.513 0.794 48 HB2 PHE 6 HB2 PHE 6 1.297 -2.676 1.983 49 HB3 PHE 6 HB1 PHE 6 -0.276 -2.416 2.739 50 HD1 PHE 6 HD1 PHE 6 2.493 -4.456 2.734 51 HD2 PHE 6 HD2 PHE 6 -1.754 -4.666 2.832 52 HE1 PHE 6 HE1 PHE 6 2.634 -6.696 3.753 53 HE2 PHE 6 HE2 PHE 6 -1.625 -6.892 3.871 54 HZ PHE 6 HZ PHE 6 0.538 -7.903 4.363 55 H SER 7 HN SER 7 -2.495 -1.938 -0.058 56 HA SER 7 HA SER 7 -1.137 0.619 -0.616 57 HB2 SER 7 HB2 SER 7 -3.523 -0.539 -2.081 58 HB3 SER 7 HB1 SER 7 -2.699 0.974 -2.449 59 HG SER 7 HG SER 7 -1.014 -1.182 -2.353 60 HA PRO 8 HA PRO 8 -4.194 2.302 2.100 61 HB2 PRO 8 HB2 PRO 8 -4.066 4.927 0.944 62 HB3 PRO 8 HB1 PRO 8 -3.221 4.336 2.375 63 HG2 PRO 8 HG2 PRO 8 -1.978 5.050 0.019 64 HG3 PRO 8 HG1 PRO 8 -1.294 3.958 1.238 65 HD2 PRO 8 HD2 PRO 8 -2.720 3.288 -1.310 66 HD3 PRO 8 HD1 PRO 8 -1.279 2.530 -0.599 67 H PHE 9 HN PHE 9 -6.208 1.833 1.875 68 HA PHE 9 HA PHE 9 -8.393 1.835 1.275 69 HB2 PHE 9 HB2 PHE 9 -7.639 4.258 -0.375 70 HB3 PHE 9 HB1 PHE 9 -9.281 3.752 0.030 71 HD1 PHE 9 HD1 PHE 9 -7.028 6.150 0.824 72 HD2 PHE 9 HD2 PHE 9 -9.309 3.099 2.716 73 HE1 PHE 9 HE1 PHE 9 -6.875 7.361 2.972 74 HE2 PHE 9 HE2 PHE 9 -9.173 4.297 4.845 75 HZ PHE 9 HZ PHE 9 -7.943 6.440 4.991 Start of MODEL 14 1 H1 LYS 1 HT1 LYS 1 8.724 3.947 2.626 2 H2 LYS 1 HT2 LYS 1 7.630 5.217 2.382 3 H3 LYS 1 HT3 LYS 1 9.082 5.189 1.527 4 HA LYS 1 HA LYS 1 7.208 4.538 0.150 5 HB2 LYS 1 HB2 LYS 1 9.208 2.352 0.773 6 HB3 LYS 1 HB1 LYS 1 8.168 2.377 -0.647 7 HG2 LYS 1 HG2 LYS 1 9.205 4.486 -1.350 8 HG3 LYS 1 HG1 LYS 1 10.287 4.406 0.041 9 HD2 LYS 1 HD2 LYS 1 11.427 3.582 -1.930 10 HD3 LYS 1 HD1 LYS 1 11.153 2.252 -0.804 11 HE2 LYS 1 HE2 LYS 1 10.665 1.556 -3.083 12 HE3 LYS 1 HE1 LYS 1 9.199 1.556 -2.107 13 HZ1 LYS 1 HZ1 LYS 1 10.008 3.670 -4.041 14 HZ2 LYS 1 HZ2 LYS 1 8.618 3.710 -3.077 15 HZ3 LYS 1 HZ3 LYS 1 8.783 2.518 -4.270 16 H ARG 2 HN ARG 2 5.705 2.815 -0.404 17 HA ARG 2 HA ARG 2 4.350 1.850 2.006 18 HB2 ARG 2 HB2 ARG 2 3.455 1.957 -0.890 19 HB3 ARG 2 HB1 ARG 2 2.475 1.346 0.432 20 HG2 ARG 2 HG2 ARG 2 2.547 3.547 1.500 21 HG3 ARG 2 HG1 ARG 2 3.508 4.153 0.150 22 HD2 ARG 2 HD2 ARG 2 1.113 4.729 -0.035 23 HD3 ARG 2 HD1 ARG 2 1.689 3.747 -1.381 24 HE ARG 2 HE ARG 2 0.451 1.923 -0.574 25 HH11 ARG 2 HH11 ARG 2 0.077 4.764 1.432 26 HH12 ARG 2 HH12 ARG 2 -1.349 4.181 2.236 27 HH21 ARG 2 HH21 ARG 2 -1.397 1.108 0.500 28 HH22 ARG 2 HH22 ARG 2 -2.221 2.096 1.683 29 HA PRO 3 HA PRO 3 5.736 -2.330 1.520 30 HB2 PRO 3 HB2 PRO 3 3.077 -3.117 2.540 31 HB3 PRO 3 HB1 PRO 3 4.679 -3.453 3.208 32 HG2 PRO 3 HG2 PRO 3 3.030 -1.687 4.366 33 HG3 PRO 3 HG1 PRO 3 4.782 -1.416 4.317 34 HD2 PRO 3 HD2 PRO 3 2.626 -0.206 2.635 35 HD3 PRO 3 HD1 PRO 3 4.075 0.552 3.325 36 HA PRO 4 HA PRO 4 3.905 -3.331 -2.408 37 HB2 PRO 4 HB2 PRO 4 5.522 -5.774 -2.274 38 HB3 PRO 4 HB1 PRO 4 5.602 -4.437 -3.424 39 HG2 PRO 4 HG2 PRO 4 7.516 -4.835 -1.578 40 HG3 PRO 4 HG1 PRO 4 7.045 -3.212 -2.114 41 HD2 PRO 4 HD2 PRO 4 6.290 -4.673 0.389 42 HD3 PRO 4 HD1 PRO 4 6.725 -2.964 0.165 43 H GLY 5 HN GLY 5 1.827 -3.958 -2.253 44 HA2 GLY 5 HA2 GLY 5 0.138 -5.531 -2.467 45 HA3 GLY 5 HA1 GLY 5 1.297 -6.793 -2.087 46 H PHE 6 HN PHE 6 1.805 -4.759 0.338 47 HA PHE 6 HA PHE 6 -0.215 -6.089 1.999 48 HB2 PHE 6 HB2 PHE 6 2.572 -5.203 2.741 49 HB3 PHE 6 HB1 PHE 6 1.387 -5.836 3.884 50 HD1 PHE 6 HD1 PHE 6 4.146 -6.683 1.998 51 HD2 PHE 6 HD2 PHE 6 0.291 -8.148 3.040 52 HE1 PHE 6 HE1 PHE 6 4.888 -8.969 1.493 53 HE2 PHE 6 HE2 PHE 6 1.028 -10.447 2.542 54 HZ PHE 6 HZ PHE 6 3.323 -10.858 1.763 55 H SER 7 HN SER 7 -1.116 -4.919 3.774 56 HA SER 7 HA SER 7 -1.369 -2.073 3.225 57 HB2 SER 7 HB2 SER 7 -2.704 -3.735 5.376 58 HB3 SER 7 HB1 SER 7 -3.162 -2.108 4.858 59 HG SER 7 HG SER 7 -3.052 -3.943 2.812 60 HA PRO 8 HA PRO 8 1.585 -1.148 6.408 61 HB2 PRO 8 HB2 PRO 8 0.951 1.635 6.308 62 HB3 PRO 8 HB1 PRO 8 2.282 0.812 5.500 63 HG2 PRO 8 HG2 PRO 8 0.125 1.996 4.225 64 HG3 PRO 8 HG1 PRO 8 1.184 0.765 3.510 65 HD2 PRO 8 HD2 PRO 8 -1.506 0.455 4.771 66 HD3 PRO 8 HD1 PRO 8 -0.829 -0.354 3.341 67 H PHE 9 HN PHE 9 1.137 -1.561 8.413 68 HA PHE 9 HA PHE 9 -1.303 -0.643 9.669 69 HB2 PHE 9 HB2 PHE 9 0.880 -2.510 10.610 70 HB3 PHE 9 HB1 PHE 9 -0.486 -2.027 11.614 71 HD1 PHE 9 HD1 PHE 9 -2.810 -2.183 10.109 72 HD2 PHE 9 HD2 PHE 9 0.670 -4.589 9.772 73 HE1 PHE 9 HE1 PHE 9 -4.165 -3.987 9.136 74 HE2 PHE 9 HE2 PHE 9 -0.666 -6.403 8.804 75 HZ PHE 9 HZ PHE 9 -3.136 -6.050 8.429 Start of MODEL 15 1 H1 LYS 1 HT1 LYS 1 8.992 3.886 1.990 2 H2 LYS 1 HT2 LYS 1 9.794 4.236 0.540 3 H3 LYS 1 HT3 LYS 1 9.577 2.622 1.019 4 HA LYS 1 HA LYS 1 7.458 4.538 0.259 5 HB2 LYS 1 HB2 LYS 1 8.747 2.197 -1.118 6 HB3 LYS 1 HB1 LYS 1 7.114 2.697 -1.532 7 HG2 LYS 1 HG2 LYS 1 9.519 4.500 -1.651 8 HG3 LYS 1 HG1 LYS 1 8.850 3.618 -3.026 9 HD2 LYS 1 HD2 LYS 1 6.693 4.781 -2.688 10 HD3 LYS 1 HD1 LYS 1 7.423 5.701 -1.368 11 HE2 LYS 1 HE2 LYS 1 7.345 6.952 -3.504 12 HE3 LYS 1 HE1 LYS 1 8.984 6.719 -2.906 13 HZ1 LYS 1 HZ1 LYS 1 7.887 4.767 -4.812 14 HZ2 LYS 1 HZ2 LYS 1 9.495 5.255 -4.575 15 HZ3 LYS 1 HZ3 LYS 1 8.408 6.269 -5.397 16 H ARG 2 HN ARG 2 5.472 2.992 -0.384 17 HA ARG 2 HA ARG 2 4.653 1.874 2.145 18 HB2 ARG 2 HB2 ARG 2 3.213 2.066 -0.508 19 HB3 ARG 2 HB1 ARG 2 2.491 1.448 0.973 20 HG2 ARG 2 HG2 ARG 2 3.505 4.248 0.510 21 HG3 ARG 2 HG1 ARG 2 1.818 3.734 0.607 22 HD2 ARG 2 HD2 ARG 2 2.144 3.033 2.912 23 HD3 ARG 2 HD1 ARG 2 3.845 3.479 2.823 24 HE ARG 2 HE ARG 2 2.121 5.674 2.215 25 HH11 ARG 2 HH11 ARG 2 3.559 3.847 4.837 26 HH12 ARG 2 HH12 ARG 2 3.388 5.138 5.996 27 HH21 ARG 2 HH21 ARG 2 1.946 7.393 3.718 28 HH22 ARG 2 HH22 ARG 2 2.477 7.146 5.360 29 HA PRO 3 HA PRO 3 5.768 -2.308 1.450 30 HB2 PRO 3 HB2 PRO 3 3.653 -3.632 2.577 31 HB3 PRO 3 HB1 PRO 3 4.942 -2.861 3.508 32 HG2 PRO 3 HG2 PRO 3 2.208 -1.849 2.856 33 HG3 PRO 3 HG1 PRO 3 3.104 -1.749 4.383 34 HD2 PRO 3 HD2 PRO 3 2.925 0.351 2.695 35 HD3 PRO 3 HD1 PRO 3 4.377 0.043 3.666 36 HA PRO 4 HA PRO 4 3.724 -3.307 -2.399 37 HB2 PRO 4 HB2 PRO 4 5.116 -5.645 -2.816 38 HB3 PRO 4 HB1 PRO 4 5.727 -4.042 -3.240 39 HG2 PRO 4 HG2 PRO 4 6.329 -5.742 -0.858 40 HG3 PRO 4 HG1 PRO 4 7.412 -4.708 -1.812 41 HD2 PRO 4 HD2 PRO 4 6.432 -3.947 0.589 42 HD3 PRO 4 HD1 PRO 4 6.755 -2.788 -0.714 43 H GLY 5 HN GLY 5 2.080 -4.678 -2.991 44 HA2 GLY 5 HA2 GLY 5 0.619 -6.497 -2.814 45 HA3 GLY 5 HA1 GLY 5 1.475 -7.010 -1.369 46 H PHE 6 HN PHE 6 1.101 -3.914 -0.764 47 HA PHE 6 HA PHE 6 -1.570 -4.222 0.409 48 HB2 PHE 6 HB2 PHE 6 0.849 -2.824 1.578 49 HB3 PHE 6 HB1 PHE 6 -0.774 -2.739 2.260 50 HD1 PHE 6 HD1 PHE 6 2.286 -4.335 2.480 51 HD2 PHE 6 HD2 PHE 6 -1.887 -5.137 2.583 52 HE1 PHE 6 HE1 PHE 6 2.718 -6.400 3.739 53 HE2 PHE 6 HE2 PHE 6 -1.469 -7.202 3.854 54 HZ PHE 6 HZ PHE 6 0.845 -7.837 4.426 55 H SER 7 HN SER 7 -2.823 -2.277 0.579 56 HA SER 7 HA SER 7 -1.980 -0.198 -1.327 57 HB2 SER 7 HB2 SER 7 -4.814 -1.110 -0.773 58 HB3 SER 7 HB1 SER 7 -4.317 0.103 -1.958 59 HG SER 7 HG SER 7 -2.907 -2.097 -2.408 60 HA PRO 8 HA PRO 8 -2.579 2.436 2.212 61 HB2 PRO 8 HB2 PRO 8 -1.913 4.741 0.678 62 HB3 PRO 8 HB1 PRO 8 -0.849 3.816 1.733 63 HG2 PRO 8 HG2 PRO 8 -0.607 3.994 -1.025 64 HG3 PRO 8 HG1 PRO 8 0.121 2.732 -0.011 65 HD2 PRO 8 HD2 PRO 8 -2.402 2.658 -1.620 66 HD3 PRO 8 HD1 PRO 8 -1.182 1.389 -1.380 67 H PHE 9 HN PHE 9 -4.509 2.967 2.827 68 HA PHE 9 HA PHE 9 -6.417 4.088 0.939 69 HB2 PHE 9 HB2 PHE 9 -6.803 2.974 3.722 70 HB3 PHE 9 HB1 PHE 9 -8.102 3.574 2.687 71 HD1 PHE 9 HD1 PHE 9 -7.777 2.592 0.169 72 HD2 PHE 9 HD2 PHE 9 -6.709 0.682 3.804 73 HE1 PHE 9 HE1 PHE 9 -7.934 0.416 -0.944 74 HE2 PHE 9 HE2 PHE 9 -6.860 -1.516 2.709 75 HZ PHE 9 HZ PHE 9 -7.478 -1.652 0.317 Start of MODEL 16 1 H1 LYS 1 HT1 LYS 1 7.093 4.636 3.952 2 H2 LYS 1 HT2 LYS 1 8.743 4.613 3.562 3 H3 LYS 1 HT3 LYS 1 7.995 3.217 4.157 4 HA LYS 1 HA LYS 1 7.335 4.542 1.587 5 HB2 LYS 1 HB2 LYS 1 8.893 2.006 2.158 6 HB3 LYS 1 HB1 LYS 1 8.362 2.516 0.563 7 HG2 LYS 1 HG2 LYS 1 10.291 3.997 2.340 8 HG3 LYS 1 HG1 LYS 1 10.710 3.024 0.929 9 HD2 LYS 1 HD2 LYS 1 9.341 4.551 -0.467 10 HD3 LYS 1 HD1 LYS 1 9.072 5.559 0.955 11 HE2 LYS 1 HE2 LYS 1 11.724 4.925 -0.328 12 HE3 LYS 1 HE1 LYS 1 10.869 6.464 -0.393 13 HZ1 LYS 1 HZ1 LYS 1 11.146 6.682 1.996 14 HZ2 LYS 1 HZ2 LYS 1 12.649 6.492 1.241 15 HZ3 LYS 1 HZ3 LYS 1 11.949 5.187 2.067 16 H ARG 2 HN ARG 2 6.122 2.981 0.178 17 HA ARG 2 HA ARG 2 3.950 1.851 1.733 18 HB2 ARG 2 HB2 ARG 2 3.340 3.237 -0.155 19 HB3 ARG 2 HB1 ARG 2 4.321 2.266 -1.245 20 HG2 ARG 2 HG2 ARG 2 2.839 0.381 -0.942 21 HG3 ARG 2 HG1 ARG 2 1.893 1.296 0.237 22 HD2 ARG 2 HD2 ARG 2 0.830 1.278 -1.972 23 HD3 ARG 2 HD1 ARG 2 1.282 2.903 -1.465 24 HE ARG 2 HE ARG 2 3.320 1.708 -3.049 25 HH11 ARG 2 HH11 ARG 2 0.161 3.185 -3.289 26 HH12 ARG 2 HH12 ARG 2 0.439 3.827 -4.881 27 HH21 ARG 2 HH21 ARG 2 3.699 2.506 -5.150 28 HH22 ARG 2 HH22 ARG 2 2.476 3.465 -5.939 29 HA PRO 3 HA PRO 3 5.787 -2.207 1.352 30 HB2 PRO 3 HB2 PRO 3 3.349 -3.219 2.583 31 HB3 PRO 3 HB1 PRO 3 4.990 -3.187 3.233 32 HG2 PRO 3 HG2 PRO 3 2.985 -1.630 4.201 33 HG3 PRO 3 HG1 PRO 3 4.689 -1.141 4.234 34 HD2 PRO 3 HD2 PRO 3 2.513 -0.324 2.340 35 HD3 PRO 3 HD1 PRO 3 3.801 0.660 3.071 36 HA PRO 4 HA PRO 4 3.743 -3.422 -2.422 37 HB2 PRO 4 HB2 PRO 4 5.498 -5.789 -2.195 38 HB3 PRO 4 HB1 PRO 4 5.372 -4.596 -3.493 39 HG2 PRO 4 HG2 PRO 4 7.480 -4.634 -1.849 40 HG3 PRO 4 HG1 PRO 4 6.801 -3.111 -2.441 41 HD2 PRO 4 HD2 PRO 4 6.454 -4.418 0.229 42 HD3 PRO 4 HD1 PRO 4 6.702 -2.701 -0.162 43 H GLY 5 HN GLY 5 1.846 -4.398 -2.603 44 HA2 GLY 5 HA2 GLY 5 0.464 -6.320 -2.623 45 HA3 GLY 5 HA1 GLY 5 1.468 -7.027 -1.372 46 H PHE 6 HN PHE 6 1.163 -4.122 -0.173 47 HA PHE 6 HA PHE 6 -1.320 -4.790 1.235 48 HB2 PHE 6 HB2 PHE 6 1.076 -3.208 2.170 49 HB3 PHE 6 HB1 PHE 6 -0.409 -3.418 3.100 50 HD1 PHE 6 HD1 PHE 6 2.809 -4.601 2.642 51 HD2 PHE 6 HD2 PHE 6 -1.156 -5.973 3.322 52 HE1 PHE 6 HE1 PHE 6 3.701 -6.707 3.561 53 HE2 PHE 6 HE2 PHE 6 -0.279 -8.075 4.236 54 HZ PHE 6 HZ PHE 6 2.140 -8.455 4.348 55 H SER 7 HN SER 7 -2.955 -3.650 0.480 56 HA SER 7 HA SER 7 -2.574 -0.990 -0.601 57 HB2 SER 7 HB2 SER 7 -5.150 -2.533 -0.208 58 HB3 SER 7 HB1 SER 7 -4.894 -1.146 -1.264 59 HG SER 7 HG SER 7 -3.857 -3.776 -1.532 60 HA PRO 8 HA PRO 8 -3.882 0.982 3.147 61 HB2 PRO 8 HB2 PRO 8 -4.737 3.361 1.876 62 HB3 PRO 8 HB1 PRO 8 -3.135 3.035 2.539 63 HG2 PRO 8 HG2 PRO 8 -3.735 3.401 -0.167 64 HG3 PRO 8 HG1 PRO 8 -2.250 2.687 0.484 65 HD2 PRO 8 HD2 PRO 8 -4.678 1.341 -0.602 66 HD3 PRO 8 HD1 PRO 8 -2.971 0.864 -0.744 67 H PHE 9 HN PHE 9 -5.687 0.448 4.118 68 HA PHE 9 HA PHE 9 -8.249 0.540 2.746 69 HB2 PHE 9 HB2 PHE 9 -7.423 -0.626 5.411 70 HB3 PHE 9 HB1 PHE 9 -9.062 -0.704 4.758 71 HD1 PHE 9 HD1 PHE 9 -8.995 -1.467 2.142 72 HD2 PHE 9 HD2 PHE 9 -6.208 -2.579 5.160 73 HE1 PHE 9 HE1 PHE 9 -8.394 -3.455 0.846 74 HE2 PHE 9 HE2 PHE 9 -5.609 -4.585 3.866 75 HZ PHE 9 HZ PHE 9 -6.705 -5.025 1.704 Start of MODEL 17 1 H1 LYS 1 HT1 LYS 1 8.934 5.236 2.026 2 H2 LYS 1 HT2 LYS 1 8.448 3.962 3.041 3 H3 LYS 1 HT3 LYS 1 7.396 5.257 2.735 4 HA LYS 1 HA LYS 1 7.125 4.650 0.493 5 HB2 LYS 1 HB2 LYS 1 8.223 2.647 -0.425 6 HB3 LYS 1 HB1 LYS 1 9.363 3.913 -0.002 7 HG2 LYS 1 HG2 LYS 1 9.877 2.708 2.090 8 HG3 LYS 1 HG1 LYS 1 8.786 1.419 1.581 9 HD2 LYS 1 HD2 LYS 1 10.153 1.063 -0.420 10 HD3 LYS 1 HD1 LYS 1 11.259 2.332 0.116 11 HE2 LYS 1 HE2 LYS 1 11.746 1.058 2.131 12 HE3 LYS 1 HE1 LYS 1 10.636 -0.208 1.614 13 HZ1 LYS 1 HZ1 LYS 1 12.892 -0.822 1.097 14 HZ2 LYS 1 HZ2 LYS 1 13.126 0.615 0.223 15 HZ3 LYS 1 HZ3 LYS 1 12.035 -0.556 -0.339 16 H ARG 2 HN ARG 2 5.617 3.064 -0.204 17 HA ARG 2 HA ARG 2 4.252 1.826 2.053 18 HB2 ARG 2 HB2 ARG 2 3.476 2.110 -0.856 19 HB3 ARG 2 HB1 ARG 2 2.490 1.288 0.344 20 HG2 ARG 2 HG2 ARG 2 2.367 3.402 1.626 21 HG3 ARG 2 HG1 ARG 2 3.262 4.199 0.331 22 HD2 ARG 2 HD2 ARG 2 1.484 3.611 -1.251 23 HD3 ARG 2 HD1 ARG 2 0.591 2.822 0.048 24 HE ARG 2 HE ARG 2 1.253 5.611 0.487 25 HH11 ARG 2 HH11 ARG 2 -1.125 3.329 -0.683 26 HH12 ARG 2 HH12 ARG 2 -2.465 4.411 -0.471 27 HH21 ARG 2 HH21 ARG 2 -0.523 7.045 0.786 28 HH22 ARG 2 HH22 ARG 2 -2.127 6.514 0.353 29 HA PRO 3 HA PRO 3 5.907 -2.205 1.356 30 HB2 PRO 3 HB2 PRO 3 3.398 -3.242 2.509 31 HB3 PRO 3 HB1 PRO 3 5.055 -3.408 3.098 32 HG2 PRO 3 HG2 PRO 3 3.285 -1.821 4.338 33 HG3 PRO 3 HG1 PRO 3 5.004 -1.396 4.225 34 HD2 PRO 3 HD2 PRO 3 2.687 -0.369 2.621 35 HD3 PRO 3 HD1 PRO 3 4.070 0.516 3.295 36 HA PRO 4 HA PRO 4 4.111 -3.614 -2.443 37 HB2 PRO 4 HB2 PRO 4 5.093 -6.277 -1.606 38 HB3 PRO 4 HB1 PRO 4 5.436 -5.372 -3.083 39 HG2 PRO 4 HG2 PRO 4 7.285 -5.600 -1.168 40 HG3 PRO 4 HG1 PRO 4 7.082 -4.073 -2.054 41 HD2 PRO 4 HD2 PRO 4 6.140 -4.822 0.687 42 HD3 PRO 4 HD1 PRO 4 6.838 -3.289 0.122 43 H GLY 5 HN GLY 5 2.215 -4.512 -3.082 44 HA2 GLY 5 HA2 GLY 5 0.504 -6.215 -2.918 45 HA3 GLY 5 HA1 GLY 5 0.791 -6.274 -1.184 46 H PHE 6 HN PHE 6 1.010 -3.154 -1.667 47 HA PHE 6 HA PHE 6 -1.831 -2.678 -1.213 48 HB2 PHE 6 HB2 PHE 6 0.627 -1.061 -0.567 49 HB3 PHE 6 HB1 PHE 6 -0.986 -0.362 -0.501 50 HD1 PHE 6 HD1 PHE 6 1.506 -1.813 1.370 51 HD2 PHE 6 HD2 PHE 6 -2.716 -1.921 0.873 52 HE1 PHE 6 HE1 PHE 6 1.263 -2.708 3.650 53 HE2 PHE 6 HE2 PHE 6 -2.969 -2.803 3.152 54 HZ PHE 6 HZ PHE 6 -1.066 -3.127 4.562 55 H SER 7 HN SER 7 -2.927 -2.215 -2.970 56 HA SER 7 HA SER 7 -1.733 -1.063 -5.313 57 HB2 SER 7 HB2 SER 7 -4.678 -1.401 -4.724 58 HB3 SER 7 HB1 SER 7 -3.892 -1.342 -6.303 59 HG SER 7 HG SER 7 -3.819 -3.394 -4.360 60 HA PRO 8 HA PRO 8 -2.525 3.085 -3.819 61 HB2 PRO 8 HB2 PRO 8 -1.084 4.150 -6.038 62 HB3 PRO 8 HB1 PRO 8 -0.507 3.934 -4.384 63 HG2 PRO 8 HG2 PRO 8 0.442 2.550 -6.578 64 HG3 PRO 8 HG1 PRO 8 0.600 2.021 -4.897 65 HD2 PRO 8 HD2 PRO 8 -1.398 1.188 -6.963 66 HD3 PRO 8 HD1 PRO 8 -0.555 0.201 -5.746 67 H PHE 9 HN PHE 9 -4.407 3.848 -4.128 68 HA PHE 9 HA PHE 9 -6.288 4.751 -4.992 69 HB2 PHE 9 HB2 PHE 9 -4.398 5.598 -7.194 70 HB3 PHE 9 HB1 PHE 9 -6.053 6.173 -7.019 71 HD1 PHE 9 HD1 PHE 9 -3.018 7.409 -6.742 72 HD2 PHE 9 HD2 PHE 9 -6.319 6.583 -4.197 73 HE1 PHE 9 HE1 PHE 9 -2.258 9.167 -5.196 74 HE2 PHE 9 HE2 PHE 9 -5.572 8.333 -2.651 75 HZ PHE 9 HZ PHE 9 -3.536 9.634 -3.138 Start of MODEL 18 1 H1 LYS 1 HT1 LYS 1 9.125 3.272 2.216 2 H2 LYS 1 HT2 LYS 1 8.123 4.569 2.641 3 H3 LYS 1 HT3 LYS 1 9.341 4.784 1.477 4 HA LYS 1 HA LYS 1 7.213 4.619 0.401 5 HB2 LYS 1 HB2 LYS 1 8.927 2.142 0.058 6 HB3 LYS 1 HB1 LYS 1 7.695 2.672 -1.077 7 HG2 LYS 1 HG2 LYS 1 8.934 4.648 -1.601 8 HG3 LYS 1 HG1 LYS 1 10.110 4.301 -0.331 9 HD2 LYS 1 HD2 LYS 1 10.763 2.240 -1.526 10 HD3 LYS 1 HD1 LYS 1 9.599 2.632 -2.794 11 HE2 LYS 1 HE2 LYS 1 10.815 4.589 -3.408 12 HE3 LYS 1 HE1 LYS 1 11.881 4.437 -2.012 13 HZ1 LYS 1 HZ1 LYS 1 12.950 3.663 -4.037 14 HZ2 LYS 1 HZ2 LYS 1 11.716 2.525 -4.280 15 HZ3 LYS 1 HZ3 LYS 1 12.743 2.383 -2.943 16 H ARG 2 HN ARG 2 5.475 3.063 -0.274 17 HA ARG 2 HA ARG 2 4.362 1.847 2.100 18 HB2 ARG 2 HB2 ARG 2 3.310 2.188 -0.711 19 HB3 ARG 2 HB1 ARG 2 2.432 1.316 0.536 20 HG2 ARG 2 HG2 ARG 2 3.241 4.211 0.642 21 HG3 ARG 2 HG1 ARG 2 1.618 3.586 0.349 22 HD2 ARG 2 HD2 ARG 2 1.609 2.531 2.549 23 HD3 ARG 2 HD1 ARG 2 3.238 3.141 2.851 24 HE ARG 2 HE ARG 2 1.141 5.098 2.270 25 HH11 ARG 2 HH11 ARG 2 3.162 3.533 4.678 26 HH12 ARG 2 HH12 ARG 2 2.865 4.735 5.890 27 HH21 ARG 2 HH21 ARG 2 0.743 6.667 3.864 28 HH22 ARG 2 HH22 ARG 2 1.501 6.528 5.426 29 HA PRO 3 HA PRO 3 5.935 -2.233 1.360 30 HB2 PRO 3 HB2 PRO 3 3.849 -3.644 2.512 31 HB3 PRO 3 HB1 PRO 3 5.192 -2.927 3.408 32 HG2 PRO 3 HG2 PRO 3 2.424 -1.889 2.979 33 HG3 PRO 3 HG1 PRO 3 3.442 -1.818 4.431 34 HD2 PRO 3 HD2 PRO 3 3.103 0.314 2.819 35 HD3 PRO 3 HD1 PRO 3 4.640 0.000 3.651 36 HA PRO 4 HA PRO 4 4.127 -3.609 -2.436 37 HB2 PRO 4 HB2 PRO 4 4.842 -6.265 -2.245 38 HB3 PRO 4 HB1 PRO 4 5.899 -4.980 -2.831 39 HG2 PRO 4 HG2 PRO 4 5.789 -6.260 -0.140 40 HG3 PRO 4 HG1 PRO 4 7.192 -5.710 -1.074 41 HD2 PRO 4 HD2 PRO 4 6.211 -4.289 0.987 42 HD3 PRO 4 HD1 PRO 4 6.921 -3.504 -0.439 43 H GLY 5 HN GLY 5 2.315 -4.616 -3.170 44 HA2 GLY 5 HA2 GLY 5 0.567 -6.240 -3.007 45 HA3 GLY 5 HA1 GLY 5 0.773 -6.232 -1.265 46 H PHE 6 HN PHE 6 1.022 -3.213 -1.538 47 HA PHE 6 HA PHE 6 -1.857 -2.707 -1.486 48 HB2 PHE 6 HB2 PHE 6 0.425 -1.183 -0.213 49 HB3 PHE 6 HB1 PHE 6 -1.260 -0.680 -0.162 50 HD1 PHE 6 HD1 PHE 6 1.221 -2.248 1.636 51 HD2 PHE 6 HD2 PHE 6 -2.887 -2.672 0.629 52 HE1 PHE 6 HE1 PHE 6 0.873 -3.612 3.649 53 HE2 PHE 6 HE2 PHE 6 -3.247 -4.048 2.641 54 HZ PHE 6 HZ PHE 6 -1.357 -4.518 4.152 55 H SER 7 HN SER 7 -2.605 -1.852 -3.296 56 HA SER 7 HA SER 7 -0.840 -0.607 -5.183 57 HB2 SER 7 HB2 SER 7 -3.833 -1.003 -5.235 58 HB3 SER 7 HB1 SER 7 -2.857 -0.448 -6.594 59 HG SER 7 HG SER 7 -1.658 -2.467 -6.328 60 HA PRO 8 HA PRO 8 -1.762 3.506 -3.698 61 HB2 PRO 8 HB2 PRO 8 0.138 4.558 -5.557 62 HB3 PRO 8 HB1 PRO 8 0.368 4.283 -3.829 63 HG2 PRO 8 HG2 PRO 8 1.677 2.914 -5.844 64 HG3 PRO 8 HG1 PRO 8 1.501 2.341 -4.177 65 HD2 PRO 8 HD2 PRO 8 -0.083 1.629 -6.608 66 HD3 PRO 8 HD1 PRO 8 0.461 0.591 -5.274 67 H PHE 9 HN PHE 9 -3.487 4.432 -4.400 68 HA PHE 9 HA PHE 9 -4.885 5.730 -5.658 69 HB2 PHE 9 HB2 PHE 9 -3.104 5.102 -8.018 70 HB3 PHE 9 HB1 PHE 9 -4.437 6.252 -8.000 71 HD1 PHE 9 HD1 PHE 9 -1.268 6.421 -8.419 72 HD2 PHE 9 HD2 PHE 9 -4.015 7.545 -5.384 73 HE1 PHE 9 HE1 PHE 9 0.272 8.187 -7.699 74 HE2 PHE 9 HE2 PHE 9 -2.477 9.325 -4.646 75 HZ PHE 9 HZ PHE 9 -0.370 9.656 -5.737 Start of MODEL 19 1 H1 LYS 1 HT1 LYS 1 9.644 4.364 -0.040 2 H2 LYS 1 HT2 LYS 1 9.426 2.920 0.827 3 H3 LYS 1 HT3 LYS 1 8.914 4.393 1.481 4 HA LYS 1 HA LYS 1 7.217 4.651 -0.125 5 HB2 LYS 1 HB2 LYS 1 8.446 2.181 -1.358 6 HB3 LYS 1 HB1 LYS 1 6.823 2.729 -1.747 7 HG2 LYS 1 HG2 LYS 1 7.681 4.805 -2.604 8 HG3 LYS 1 HG1 LYS 1 9.320 4.356 -2.124 9 HD2 LYS 1 HD2 LYS 1 9.245 2.451 -3.651 10 HD3 LYS 1 HD1 LYS 1 7.600 2.888 -4.121 11 HE2 LYS 1 HE2 LYS 1 10.007 4.674 -4.475 12 HE3 LYS 1 HE1 LYS 1 9.345 3.635 -5.736 13 HZ1 LYS 1 HZ1 LYS 1 7.910 5.866 -4.384 14 HZ2 LYS 1 HZ2 LYS 1 7.250 4.863 -5.581 15 HZ3 LYS 1 HZ3 LYS 1 8.539 5.900 -5.960 16 H ARG 2 HN ARG 2 5.326 2.914 -0.519 17 HA ARG 2 HA ARG 2 4.693 1.893 2.107 18 HB2 ARG 2 HB2 ARG 2 2.470 1.392 1.074 19 HB3 ARG 2 HB1 ARG 2 2.963 3.069 0.878 20 HG2 ARG 2 HG2 ARG 2 3.756 2.491 -1.415 21 HG3 ARG 2 HG1 ARG 2 3.022 0.899 -1.202 22 HD2 ARG 2 HD2 ARG 2 0.841 1.933 -0.879 23 HD3 ARG 2 HD1 ARG 2 1.567 3.534 -1.022 24 HE ARG 2 HE ARG 2 2.014 1.809 -3.290 25 HH11 ARG 2 HH11 ARG 2 -0.092 4.230 -1.845 26 HH12 ARG 2 HH12 ARG 2 -0.799 4.691 -3.371 27 HH21 ARG 2 HH21 ARG 2 1.086 2.418 -5.261 28 HH22 ARG 2 HH22 ARG 2 -0.120 3.679 -5.307 29 HA PRO 3 HA PRO 3 5.716 -2.367 1.556 30 HB2 PRO 3 HB2 PRO 3 3.040 -3.104 2.561 31 HB3 PRO 3 HB1 PRO 3 4.627 -3.498 3.222 32 HG2 PRO 3 HG2 PRO 3 3.039 -1.714 4.415 33 HG3 PRO 3 HG1 PRO 3 4.802 -1.489 4.350 34 HD2 PRO 3 HD2 PRO 3 2.662 -0.187 2.705 35 HD3 PRO 3 HD1 PRO 3 4.132 0.520 3.411 36 HA PRO 4 HA PRO 4 3.849 -3.276 -2.390 37 HB2 PRO 4 HB2 PRO 4 5.513 -5.676 -2.405 38 HB3 PRO 4 HB1 PRO 4 5.625 -4.242 -3.429 39 HG2 PRO 4 HG2 PRO 4 7.472 -4.839 -1.539 40 HG3 PRO 4 HG1 PRO 4 7.072 -3.175 -2.000 41 HD2 PRO 4 HD2 PRO 4 6.177 -4.748 0.384 42 HD3 PRO 4 HD1 PRO 4 6.670 -3.045 0.269 43 H GLY 5 HN GLY 5 1.827 -4.020 -2.342 44 HA2 GLY 5 HA2 GLY 5 0.256 -5.691 -2.657 45 HA3 GLY 5 HA1 GLY 5 1.425 -6.879 -2.110 46 H PHE 6 HN PHE 6 1.659 -4.751 0.241 47 HA PHE 6 HA PHE 6 -0.269 -6.197 1.880 48 HB2 PHE 6 HB2 PHE 6 2.006 -4.362 2.649 49 HB3 PHE 6 HB1 PHE 6 0.935 -5.165 3.796 50 HD1 PHE 6 HD1 PHE 6 4.045 -5.365 2.278 51 HD2 PHE 6 HD2 PHE 6 0.708 -7.802 3.309 52 HE1 PHE 6 HE1 PHE 6 5.485 -7.359 2.212 53 HE2 PHE 6 HE2 PHE 6 2.150 -9.801 3.265 54 HZ PHE 6 HZ PHE 6 4.540 -9.578 2.710 55 H SER 7 HN SER 7 -2.179 -5.359 2.248 56 HA SER 7 HA SER 7 -2.582 -2.481 1.836 57 HB2 SER 7 HB2 SER 7 -4.631 -4.692 2.110 58 HB3 SER 7 HB1 SER 7 -4.948 -3.017 1.647 59 HG SER 7 HG SER 7 -3.044 -3.941 0.053 60 HA PRO 8 HA PRO 8 -2.905 -2.331 6.324 61 HB2 PRO 8 HB2 PRO 8 -2.362 0.450 6.250 62 HB3 PRO 8 HB1 PRO 8 -1.232 -0.845 6.650 63 HG2 PRO 8 HG2 PRO 8 -1.077 0.794 4.401 64 HG3 PRO 8 HG1 PRO 8 -0.257 -0.764 4.592 65 HD2 PRO 8 HD2 PRO 8 -2.817 -0.128 3.192 66 HD3 PRO 8 HD1 PRO 8 -1.532 -1.259 2.717 67 H PHE 9 HN PHE 9 -4.847 -2.287 7.088 68 HA PHE 9 HA PHE 9 -6.968 -1.729 7.659 69 HB2 PHE 9 HB2 PHE 9 -5.831 1.015 7.159 70 HB3 PHE 9 HB1 PHE 9 -7.419 0.727 7.877 71 HD1 PHE 9 HD1 PHE 9 -7.578 -0.663 9.915 72 HD2 PHE 9 HD2 PHE 9 -3.897 0.876 8.470 73 HE1 PHE 9 HE1 PHE 9 -6.570 -1.038 12.109 74 HE2 PHE 9 HE2 PHE 9 -2.867 0.520 10.676 75 HZ PHE 9 HZ PHE 9 -4.209 -0.444 12.510 Start of MODEL 20 1 H1 LYS 1 HT1 LYS 1 9.247 5.143 1.139 2 H2 LYS 1 HT2 LYS 1 9.191 3.830 2.212 3 H3 LYS 1 HT3 LYS 1 7.938 4.973 2.205 4 HA LYS 1 HA LYS 1 7.388 4.331 -0.083 5 HB2 LYS 1 HB2 LYS 1 9.409 2.155 0.471 6 HB3 LYS 1 HB1 LYS 1 8.311 2.181 -0.902 7 HG2 LYS 1 HG2 LYS 1 9.348 4.246 -1.695 8 HG3 LYS 1 HG1 LYS 1 10.463 4.209 -0.327 9 HD2 LYS 1 HD2 LYS 1 11.379 2.085 -1.108 10 HD3 LYS 1 HD1 LYS 1 10.225 2.067 -2.442 11 HE2 LYS 1 HE2 LYS 1 12.369 4.147 -2.012 12 HE3 LYS 1 HE1 LYS 1 12.455 2.805 -3.151 13 HZ1 LYS 1 HZ1 LYS 1 11.765 4.652 -4.389 14 HZ2 LYS 1 HZ2 LYS 1 10.641 5.139 -3.222 15 HZ3 LYS 1 HZ3 LYS 1 10.360 3.739 -4.146 16 H ARG 2 HN ARG 2 5.583 3.116 -0.261 17 HA ARG 2 HA ARG 2 4.537 1.906 2.125 18 HB2 ARG 2 HB2 ARG 2 3.418 1.994 -0.687 19 HB3 ARG 2 HB1 ARG 2 2.538 1.453 0.733 20 HG2 ARG 2 HG2 ARG 2 2.783 3.712 1.702 21 HG3 ARG 2 HG1 ARG 2 3.556 4.233 0.204 22 HD2 ARG 2 HD2 ARG 2 1.245 4.862 0.122 23 HD3 ARG 2 HD1 ARG 2 1.511 3.553 -1.030 24 HE ARG 2 HE ARG 2 0.675 2.477 1.445 25 HH11 ARG 2 HH11 ARG 2 -0.568 4.257 -1.313 26 HH12 ARG 2 HH12 ARG 2 -2.214 3.759 -1.048 27 HH21 ARG 2 HH21 ARG 2 -1.459 1.769 1.758 28 HH22 ARG 2 HH22 ARG 2 -2.714 2.296 0.680 29 HA PRO 3 HA PRO 3 5.795 -2.277 1.383 30 HB2 PRO 3 HB2 PRO 3 3.296 -3.153 2.666 31 HB3 PRO 3 HB1 PRO 3 4.968 -3.367 3.197 32 HG2 PRO 3 HG2 PRO 3 3.271 -1.686 4.448 33 HG3 PRO 3 HG1 PRO 3 5.009 -1.355 4.316 34 HD2 PRO 3 HD2 PRO 3 2.733 -0.225 2.727 35 HD3 PRO 3 HD1 PRO 3 4.174 0.590 3.373 36 HA PRO 4 HA PRO 4 3.439 -3.263 -2.294 37 HB2 PRO 4 HB2 PRO 4 5.009 -5.288 -3.149 38 HB3 PRO 4 HB1 PRO 4 5.500 -3.593 -3.261 39 HG2 PRO 4 HG2 PRO 4 6.267 -5.652 -1.219 40 HG3 PRO 4 HG1 PRO 4 7.287 -4.462 -2.053 41 HD2 PRO 4 HD2 PRO 4 6.343 -4.096 0.471 42 HD3 PRO 4 HD1 PRO 4 6.666 -2.762 -0.654 43 H GLY 5 HN GLY 5 2.063 -4.897 -3.040 44 HA2 GLY 5 HA2 GLY 5 1.259 -7.149 -2.972 45 HA3 GLY 5 HA1 GLY 5 1.799 -7.258 -1.307 46 H PHE 6 HN PHE 6 0.472 -4.345 -1.345 47 HA PHE 6 HA PHE 6 -2.067 -5.361 -0.358 48 HB2 PHE 6 HB2 PHE 6 -0.720 -2.672 -0.151 49 HB3 PHE 6 HB1 PHE 6 -2.376 -2.946 0.379 50 HD1 PHE 6 HD1 PHE 6 0.912 -2.781 1.458 51 HD2 PHE 6 HD2 PHE 6 -2.611 -5.122 1.925 52 HE1 PHE 6 HE1 PHE 6 1.741 -3.600 3.633 53 HE2 PHE 6 HE2 PHE 6 -1.797 -5.929 4.100 54 HZ PHE 6 HZ PHE 6 0.384 -5.166 4.952 55 H SER 7 HN SER 7 -3.894 -5.258 -1.475 56 HA SER 7 HA SER 7 -3.939 -3.752 -3.984 57 HB2 SER 7 HB2 SER 7 -5.922 -5.779 -2.920 58 HB3 SER 7 HB1 SER 7 -5.842 -5.141 -4.563 59 HG SER 7 HG SER 7 -4.561 -6.764 -4.921 60 HA PRO 8 HA PRO 8 -6.616 -0.816 -2.024 61 HB2 PRO 8 HB2 PRO 8 -7.132 0.508 -4.487 62 HB3 PRO 8 HB1 PRO 8 -5.921 0.934 -3.281 63 HG2 PRO 8 HG2 PRO 8 -5.380 0.000 -5.840 64 HG3 PRO 8 HG1 PRO 8 -4.238 -0.008 -4.484 65 HD2 PRO 8 HD2 PRO 8 -5.956 -2.216 -5.538 66 HD3 PRO 8 HD1 PRO 8 -4.289 -2.278 -4.923 67 H PHE 9 HN PHE 9 -8.548 -1.359 -1.447 68 HA PHE 9 HA PHE 9 -10.708 -2.077 -1.422 69 HB2 PHE 9 HB2 PHE 9 -10.737 -0.210 -3.797 70 HB3 PHE 9 HB1 PHE 9 -12.188 -0.824 -3.001 71 HD1 PHE 9 HD1 PHE 9 -10.296 1.920 -3.270 72 HD2 PHE 9 HD2 PHE 9 -11.826 -0.640 -0.250 73 HE1 PHE 9 HE1 PHE 9 -10.137 3.753 -1.650 74 HE2 PHE 9 HE2 PHE 9 -11.678 1.194 1.388 75 HZ PHE 9 HZ PHE 9 -10.914 3.318 0.771
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