NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640538 | 6h7q | 34306 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 -4.298 6.981 2.527 2 H2 SER 1 HT2 SER 1 -4.490 5.907 3.852 3 H3 SER 1 HT3 SER 1 -5.776 6.948 3.395 4 HA SER 1 HA SER 1 -6.407 4.955 2.545 5 HB2 SER 1 HB3 SER 1 -4.888 6.543 0.465 6 HB3 SER 1 HB2 SER 1 -5.967 5.209 0.056 7 HG SER 1 HG SER 1 -6.725 7.600 0.244 8 H TRP 2 H TRP 2 -5.711 3.274 0.712 9 HA TRP 2 HA TRP 2 -3.194 2.078 1.674 10 HB2 TRP 2 HB3 TRP 2 -5.748 0.863 0.631 11 HB3 TRP 2 HB2 TRP 2 -4.251 -0.057 0.729 12 HD1 TRP 2 HD1 TRP 2 -7.222 0.609 2.731 13 HE1 TRP 2 HE1 TRP 2 -6.805 0.061 5.215 14 HE3 TRP 2 HE3 TRP 2 -2.148 0.298 2.621 15 HZ2 TRP 2 HZ2 TRP 2 -4.583 -0.428 6.907 16 HZ3 TRP 2 HZ3 TRP 2 -0.941 -0.193 4.691 17 HH2 TRP 2 HH2 TRP 2 -2.128 -0.556 6.800 18 H THR 3 H THR 3 -1.582 1.730 0.301 19 HA THR 3 HA THR 3 -2.100 1.989 -2.586 20 HB THR 3 HB THR 3 0.617 2.641 -1.641 21 HG1 THR 3 HG1 THR 3 -1.619 4.219 -0.936 22 HG21 THR 3 HG21 THR 3 0.145 4.673 -3.107 23 HG22 THR 3 HG22 THR 3 -1.321 3.820 -3.591 24 HG23 THR 3 HG23 THR 3 0.260 3.098 -3.893 25 H TRP 4 H TRP 4 -1.456 0.308 -3.795 26 HA TRP 4 HA TRP 4 -0.031 -1.863 -2.466 27 HB2 TRP 4 HB3 TRP 4 -1.977 -2.612 -3.536 28 HB3 TRP 4 HB2 TRP 4 -1.720 -1.582 -4.934 29 HD1 TRP 4 HD1 TRP 4 0.032 -2.462 -6.787 30 HE1 TRP 4 HE1 TRP 4 0.764 -4.861 -7.387 31 HE3 TRP 4 HE3 TRP 4 -1.468 -4.846 -2.530 32 HZ2 TRP 4 HZ2 TRP 4 0.705 -7.426 -6.200 33 HZ3 TRP 4 HZ3 TRP 4 -1.092 -7.267 -2.330 34 HH2 TRP 4 HH2 TRP 4 -0.030 -8.532 -4.132 35 H GLU 5 H GLU 5 2.072 -2.285 -2.838 36 HA GLU 5 HA GLU 5 3.297 -1.328 -5.316 37 HB2 GLU 5 HB3 GLU 5 3.530 0.223 -3.160 38 HB3 GLU 5 HB2 GLU 5 4.862 -0.885 -2.831 39 HG2 GLU 5 HG3 GLU 5 6.151 0.030 -4.396 40 HG3 GLU 5 HG2 GLU 5 4.842 0.078 -5.575 41 H ASN 6 H ASN 6 4.591 -2.761 -6.210 42 HA ASN 6 HA ASN 6 5.664 -4.741 -6.572 43 HB2 ASN 6 HB3 ASN 6 7.378 -3.243 -5.538 44 HB3 ASN 6 HB2 ASN 6 7.039 -4.012 -3.984 45 HD21 ASN 6 HD21 ASN 6 7.631 -5.060 -7.329 46 HD22 ASN 6 HD22 ASN 6 8.794 -6.270 -6.921 47 H GLY 7 H GLY 7 3.190 -5.190 -5.173 48 HA2 GLY 7 HA3 GLY 7 2.261 -7.222 -4.476 49 HA3 GLY 7 HA2 GLY 7 3.866 -7.801 -4.098 50 H LYS 8 H LYS 8 2.953 -4.720 -2.785 51 HA LYS 8 HA LYS 8 2.107 -5.965 -0.282 52 HB2 LYS 8 HB3 LYS 8 4.742 -4.896 -0.735 53 HB3 LYS 8 HB2 LYS 8 3.924 -3.970 0.517 54 HG2 LYS 8 HG3 LYS 8 3.792 -6.925 0.693 55 HG3 LYS 8 HG2 LYS 8 5.334 -6.145 1.053 56 HD2 LYS 8 HD3 LYS 8 4.542 -5.141 2.936 57 HD3 LYS 8 HD2 LYS 8 2.906 -4.985 2.295 58 HE2 LYS 8 HE3 LYS 8 2.267 -7.010 3.068 59 HE3 LYS 8 HE2 LYS 8 3.844 -7.739 2.765 60 HZ1 LYS 8 HZ1 LYS 8 3.738 -5.761 4.892 61 HZ2 LYS 8 HZ2 LYS 8 4.571 -7.231 4.820 62 HZ3 LYS 8 HZ3 LYS 8 2.922 -7.212 5.195 63 H TRP 9 H TRP 9 0.570 -4.878 0.727 64 HA TRP 9 HA TRP 9 -0.351 -2.350 -0.346 65 HB2 TRP 9 HB3 TRP 9 -1.394 -4.386 1.574 66 HB3 TRP 9 HB2 TRP 9 -2.045 -2.768 1.664 67 HD1 TRP 9 HD1 TRP 9 -2.510 -5.926 -0.011 68 HE1 TRP 9 HE1 TRP 9 -4.144 -5.729 -1.998 69 HE3 TRP 9 HE3 TRP 9 -2.685 -0.846 -0.373 70 HZ2 TRP 9 HZ2 TRP 9 -5.347 -3.667 -3.509 71 HZ3 TRP 9 HZ3 TRP 9 -4.101 0.165 -2.111 72 HH2 TRP 9 HH2 TRP 9 -5.406 -1.215 -3.643 73 H THR 10 H THR 10 0.128 -0.398 0.481 74 HA THR 10 HA THR 10 1.136 -0.261 3.246 75 HB THR 10 HB THR 10 2.478 1.780 2.216 76 HG1 THR 10 HG1 THR 10 2.283 -0.003 0.021 77 HG21 THR 10 HG21 THR 10 3.237 -0.648 3.099 78 HG22 THR 10 HG22 THR 10 4.345 0.570 2.467 79 HG23 THR 10 HG23 THR 10 3.772 -0.729 1.421 80 H TRP 11 H TRP 11 0.681 1.658 4.398 81 HA TRP 11 HA TRP 11 -1.720 3.012 3.450 82 HB2 TRP 11 HB3 TRP 11 -1.726 2.106 5.732 83 HB3 TRP 11 HB2 TRP 11 -0.336 3.114 6.143 84 HD1 TRP 11 HD1 TRP 11 -0.826 5.510 6.984 85 HE1 TRP 11 HE1 TRP 11 -2.956 6.918 7.303 86 HE3 TRP 11 HE3 TRP 11 -4.180 2.480 4.581 87 HZ2 TRP 11 HZ2 TRP 11 -5.691 6.768 6.629 88 HZ3 TRP 11 HZ3 TRP 11 -6.532 3.189 4.465 89 HH2 TRP 11 HH2 TRP 11 -7.270 5.288 5.468 90 H LYS 12 H LYS 12 -1.185 4.589 2.042 91 HA LYS 12 HA LYS 12 -0.044 6.987 3.013 92 HB2 LYS 12 HB3 LYS 12 1.956 5.360 2.564 93 HB3 LYS 12 HB2 LYS 12 1.660 5.759 0.876 94 HG2 LYS 12 HG3 LYS 12 1.845 8.050 2.717 95 HG3 LYS 12 HG2 LYS 12 3.331 7.131 2.468 96 HD2 LYS 12 HD3 LYS 12 3.576 7.880 0.367 97 HD3 LYS 12 HD2 LYS 12 1.860 7.688 0.001 98 HE2 LYS 12 HE3 LYS 12 1.949 9.950 -0.084 99 HE3 LYS 12 HE2 LYS 12 1.706 9.780 1.654 100 HZ1 LYS 12 HZ1 LYS 12 3.825 10.396 2.104 101 HZ2 LYS 12 HZ2 LYS 12 3.648 11.230 0.643 102 HZ3 LYS 12 HZ3 LYS 12 4.457 9.745 0.675 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 -6.161 6.679 3.181 2 H2 SER 1 HT2 SER 1 -4.581 6.814 2.525 3 H3 SER 1 HT3 SER 1 -4.908 5.657 3.748 4 HA SER 1 HA SER 1 -6.589 4.722 2.141 5 HB2 SER 1 HB3 SER 1 -4.770 6.037 0.129 6 HB3 SER 1 HB2 SER 1 -6.338 5.274 -0.137 7 HG SER 1 HG SER 1 -7.179 7.041 1.226 8 H TRP 2 H TRP 2 -5.686 3.081 0.468 9 HA TRP 2 HA TRP 2 -3.178 2.007 1.586 10 HB2 TRP 2 HB3 TRP 2 -5.613 0.678 0.408 11 HB3 TRP 2 HB2 TRP 2 -4.085 -0.176 0.583 12 HD1 TRP 2 HD1 TRP 2 -7.183 0.343 2.421 13 HE1 TRP 2 HE1 TRP 2 -6.875 -0.194 4.924 14 HE3 TRP 2 HE3 TRP 2 -2.098 0.279 2.589 15 HZ2 TRP 2 HZ2 TRP 2 -4.727 -0.582 6.734 16 HZ3 TRP 2 HZ3 TRP 2 -0.985 -0.163 4.721 17 HH2 TRP 2 HH2 TRP 2 -2.267 -0.591 6.761 18 H THR 3 H THR 3 -1.472 1.733 0.310 19 HA THR 3 HA THR 3 -1.828 2.050 -2.597 20 HB THR 3 HB THR 3 -0.580 3.920 -1.724 21 HG1 THR 3 HG1 THR 3 0.329 3.346 -3.602 22 HG21 THR 3 HG21 THR 3 0.727 1.895 -0.070 23 HG22 THR 3 HG22 THR 3 0.472 3.616 0.220 24 HG23 THR 3 HG23 THR 3 1.819 3.081 -0.786 25 H TRP 4 H TRP 4 -1.203 0.386 -3.845 26 HA TRP 4 HA TRP 4 0.129 -1.863 -2.527 27 HB2 TRP 4 HB3 TRP 4 -1.915 -2.507 -3.505 28 HB3 TRP 4 HB2 TRP 4 -1.628 -1.549 -4.948 29 HD1 TRP 4 HD1 TRP 4 -0.098 -2.612 -6.838 30 HE1 TRP 4 HE1 TRP 4 0.541 -5.063 -7.340 31 HE3 TRP 4 HE3 TRP 4 -1.331 -4.690 -2.348 32 HZ2 TRP 4 HZ2 TRP 4 0.516 -7.550 -5.988 33 HZ3 TRP 4 HZ3 TRP 4 -0.991 -7.101 -2.018 34 HH2 TRP 4 HH2 TRP 4 -0.090 -8.505 -3.805 35 H GLU 5 H GLU 5 2.193 -2.368 -3.002 36 HA GLU 5 HA GLU 5 3.330 -1.448 -5.536 37 HB2 GLU 5 HB3 GLU 5 5.371 -0.650 -4.321 38 HB3 GLU 5 HB2 GLU 5 3.924 0.324 -4.060 39 HG2 GLU 5 HG3 GLU 5 3.780 -1.461 -2.005 40 HG3 GLU 5 HG2 GLU 5 5.520 -1.228 -2.168 41 H ASN 6 H ASN 6 4.280 -3.064 -6.515 42 HA ASN 6 HA ASN 6 5.203 -5.110 -6.912 43 HB2 ASN 6 HB3 ASN 6 7.000 -3.428 -5.700 44 HB3 ASN 6 HB2 ASN 6 7.145 -4.896 -4.729 45 HD21 ASN 6 HD21 ASN 6 7.102 -3.753 -8.075 46 HD22 ASN 6 HD22 ASN 6 8.218 -4.927 -8.675 47 H GLY 7 H GLY 7 2.977 -5.363 -5.101 48 HA2 GLY 7 HA3 GLY 7 2.161 -7.393 -4.204 49 HA3 GLY 7 HA2 GLY 7 3.806 -7.889 -3.892 50 H LYS 8 H LYS 8 2.887 -4.709 -2.822 51 HA LYS 8 HA LYS 8 2.299 -5.741 -0.150 52 HB2 LYS 8 HB3 LYS 8 4.780 -4.407 -0.943 53 HB3 LYS 8 HB2 LYS 8 4.004 -3.668 0.451 54 HG2 LYS 8 HG3 LYS 8 4.423 -6.626 0.339 55 HG3 LYS 8 HG2 LYS 8 5.732 -5.544 0.817 56 HD2 LYS 8 HD3 LYS 8 3.008 -5.525 2.103 57 HD3 LYS 8 HD2 LYS 8 4.362 -6.481 2.709 58 HE2 LYS 8 HE3 LYS 8 4.967 -3.651 2.204 59 HE3 LYS 8 HE2 LYS 8 3.789 -3.940 3.484 60 HZ1 LYS 8 HZ1 LYS 8 5.696 -4.091 4.677 61 HZ2 LYS 8 HZ2 LYS 8 6.624 -4.640 3.374 62 HZ3 LYS 8 HZ3 LYS 8 5.593 -5.707 4.186 63 H TRP 9 H TRP 9 0.808 -4.637 0.905 64 HA TRP 9 HA TRP 9 -0.256 -2.185 -0.275 65 HB2 TRP 9 HB3 TRP 9 -1.259 -4.233 1.664 66 HB3 TRP 9 HB2 TRP 9 -1.973 -2.637 1.693 67 HD1 TRP 9 HD1 TRP 9 -2.435 -5.854 0.209 68 HE1 TRP 9 HE1 TRP 9 -3.978 -5.770 -1.854 69 HE3 TRP 9 HE3 TRP 9 -2.431 -0.815 -0.569 70 HZ2 TRP 9 HZ2 TRP 9 -5.052 -3.806 -3.577 71 HZ3 TRP 9 HZ3 TRP 9 -3.741 0.091 -2.442 72 HH2 TRP 9 HH2 TRP 9 -5.026 -1.374 -3.912 73 H THR 10 H THR 10 0.164 -0.217 0.564 74 HA THR 10 HA THR 10 1.122 -0.065 3.345 75 HB THR 10 HB THR 10 2.153 1.895 1.354 76 HG1 THR 10 HG1 THR 10 2.498 -0.087 0.318 77 HG21 THR 10 HG21 THR 10 2.715 1.969 3.798 78 HG22 THR 10 HG22 THR 10 4.092 1.928 2.696 79 HG23 THR 10 HG23 THR 10 3.607 0.467 3.557 80 H TRP 11 H TRP 11 0.477 1.707 4.546 81 HA TRP 11 HA TRP 11 -1.825 3.136 3.476 82 HB2 TRP 11 HB3 TRP 11 -2.004 2.073 5.696 83 HB3 TRP 11 HB2 TRP 11 -0.690 3.094 6.284 84 HD1 TRP 11 HD1 TRP 11 -1.302 5.495 7.089 85 HE1 TRP 11 HE1 TRP 11 -3.508 6.800 7.319 86 HE3 TRP 11 HE3 TRP 11 -4.387 2.346 4.493 87 HZ2 TRP 11 HZ2 TRP 11 -6.198 6.531 6.510 88 HZ3 TRP 11 HZ3 TRP 11 -6.762 2.945 4.269 89 HH2 TRP 11 HH2 TRP 11 -7.648 4.994 5.257 90 H LYS 12 H LYS 12 -1.169 4.803 2.227 91 HA LYS 12 HA LYS 12 -0.209 7.156 3.416 92 HB2 LYS 12 HB3 LYS 12 1.882 5.552 3.203 93 HB3 LYS 12 HB2 LYS 12 1.865 6.113 1.537 94 HG2 LYS 12 HG3 LYS 12 3.272 7.644 2.466 95 HG3 LYS 12 HG2 LYS 12 1.730 8.478 2.673 96 HD2 LYS 12 HD3 LYS 12 1.796 7.047 4.952 97 HD3 LYS 12 HD2 LYS 12 3.526 7.273 4.685 98 HE2 LYS 12 HE3 LYS 12 2.577 9.772 4.190 99 HE3 LYS 12 HE2 LYS 12 1.454 9.217 5.432 100 HZ1 LYS 12 HZ1 LYS 12 3.064 9.970 6.788 101 HZ2 LYS 12 HZ2 LYS 12 4.288 9.820 5.630 102 HZ3 LYS 12 HZ3 LYS 12 3.770 8.461 6.492 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 -6.194 6.606 3.043 2 H2 SER 1 HT2 SER 1 -4.600 6.730 2.419 3 H3 SER 1 HT3 SER 1 -4.956 5.586 3.648 4 HA SER 1 HA SER 1 -6.597 4.627 2.023 5 HB2 SER 1 HB3 SER 1 -6.072 6.805 0.578 6 HB3 SER 1 HB2 SER 1 -4.794 5.774 -0.064 7 HG SER 1 HG SER 1 -7.463 5.708 -0.535 8 H TRP 2 H TRP 2 -5.672 2.971 0.387 9 HA TRP 2 HA TRP 2 -3.157 1.938 1.528 10 HB2 TRP 2 HB3 TRP 2 -5.578 0.570 0.367 11 HB3 TRP 2 HB2 TRP 2 -4.041 -0.267 0.553 12 HD1 TRP 2 HD1 TRP 2 -7.143 0.249 2.388 13 HE1 TRP 2 HE1 TRP 2 -6.827 -0.251 4.897 14 HE3 TRP 2 HE3 TRP 2 -2.058 0.231 2.549 15 HZ2 TRP 2 HZ2 TRP 2 -4.673 -0.596 6.710 16 HZ3 TRP 2 HZ3 TRP 2 -0.938 -0.172 4.685 17 HH2 TRP 2 HH2 TRP 2 -2.214 -0.583 6.733 18 H THR 3 H THR 3 -1.444 1.664 0.261 19 HA THR 3 HA THR 3 -1.794 1.951 -2.650 20 HB THR 3 HB THR 3 -0.533 3.817 -1.867 21 HG1 THR 3 HG1 THR 3 1.376 1.916 -2.742 22 HG21 THR 3 HG21 THR 3 1.767 3.167 -0.717 23 HG22 THR 3 HG22 THR 3 0.775 1.849 -0.094 24 HG23 THR 3 HG23 THR 3 0.309 3.523 0.209 25 H TRP 4 H TRP 4 -1.176 0.273 -3.886 26 HA TRP 4 HA TRP 4 0.167 -1.961 -2.549 27 HB2 TRP 4 HB3 TRP 4 -1.900 -2.620 -3.468 28 HB3 TRP 4 HB2 TRP 4 -1.643 -1.692 -4.936 29 HD1 TRP 4 HD1 TRP 4 -0.164 -2.797 -6.840 30 HE1 TRP 4 HE1 TRP 4 0.462 -5.259 -7.305 31 HE3 TRP 4 HE3 TRP 4 -1.282 -4.776 -2.277 32 HZ2 TRP 4 HZ2 TRP 4 0.471 -7.717 -5.900 33 HZ3 TRP 4 HZ3 TRP 4 -0.935 -7.180 -1.903 34 HH2 TRP 4 HH2 TRP 4 -0.080 -8.623 -3.681 35 H GLU 5 H GLU 5 2.218 -2.474 -3.060 36 HA GLU 5 HA GLU 5 3.299 -1.607 -5.636 37 HB2 GLU 5 HB3 GLU 5 4.284 -0.780 -2.934 38 HB3 GLU 5 HB2 GLU 5 5.427 -0.950 -4.267 39 HG2 GLU 5 HG3 GLU 5 4.530 0.812 -5.438 40 HG3 GLU 5 HG2 GLU 5 2.958 0.677 -4.651 41 H ASN 6 H ASN 6 4.221 -3.251 -6.599 42 HA ASN 6 HA ASN 6 5.134 -5.308 -6.966 43 HB2 ASN 6 HB3 ASN 6 7.011 -3.673 -6.156 44 HB3 ASN 6 HB2 ASN 6 7.053 -4.733 -4.744 45 HD21 ASN 6 HD21 ASN 6 6.956 -4.966 -8.287 46 HD22 ASN 6 HD22 ASN 6 8.115 -6.241 -8.403 47 H GLY 7 H GLY 7 2.949 -5.510 -5.102 48 HA2 GLY 7 HA3 GLY 7 2.151 -7.515 -4.135 49 HA3 GLY 7 HA2 GLY 7 3.802 -8.004 -3.841 50 H LYS 8 H LYS 8 2.900 -4.795 -2.840 51 HA LYS 8 HA LYS 8 2.383 -5.760 -0.127 52 HB2 LYS 8 HB3 LYS 8 4.830 -4.450 -1.019 53 HB3 LYS 8 HB2 LYS 8 4.075 -3.623 0.337 54 HG2 LYS 8 HG3 LYS 8 4.268 -6.547 0.588 55 HG3 LYS 8 HG2 LYS 8 5.801 -5.673 0.586 56 HD2 LYS 8 HD3 LYS 8 5.416 -4.743 2.602 57 HD3 LYS 8 HD2 LYS 8 3.702 -4.487 2.267 58 HE2 LYS 8 HE3 LYS 8 3.525 -7.060 2.511 59 HE3 LYS 8 HE2 LYS 8 5.081 -6.924 3.329 60 HZ1 LYS 8 HZ1 LYS 8 3.072 -6.849 4.799 61 HZ2 LYS 8 HZ2 LYS 8 2.703 -5.344 4.123 62 HZ3 LYS 8 HZ3 LYS 8 4.143 -5.552 4.985 63 H TRP 9 H TRP 9 0.905 -4.650 0.940 64 HA TRP 9 HA TRP 9 -0.218 -2.236 -0.273 65 HB2 TRP 9 HB3 TRP 9 -1.175 -4.273 1.701 66 HB3 TRP 9 HB2 TRP 9 -1.912 -2.687 1.714 67 HD1 TRP 9 HD1 TRP 9 -2.364 -5.929 0.297 68 HE1 TRP 9 HE1 TRP 9 -3.917 -5.897 -1.760 69 HE3 TRP 9 HE3 TRP 9 -2.383 -0.908 -0.593 70 HZ2 TRP 9 HZ2 TRP 9 -5.007 -3.977 -3.521 71 HZ3 TRP 9 HZ3 TRP 9 -3.706 -0.050 -2.480 72 HH2 TRP 9 HH2 TRP 9 -4.993 -1.552 -3.911 73 H THR 10 H THR 10 0.183 -0.250 0.541 74 HA THR 10 HA THR 10 1.162 -0.057 3.313 75 HB THR 10 HB THR 10 2.157 1.936 1.356 76 HG1 THR 10 HG1 THR 10 3.169 -0.711 1.455 77 HG21 THR 10 HG21 THR 10 4.278 1.550 2.597 78 HG22 THR 10 HG22 THR 10 3.397 0.438 3.646 79 HG23 THR 10 HG23 THR 10 2.945 2.142 3.589 80 H TRP 11 H TRP 11 0.544 1.755 4.490 81 HA TRP 11 HA TRP 11 -1.784 3.154 3.411 82 HB2 TRP 11 HB3 TRP 11 -1.986 2.068 5.620 83 HB3 TRP 11 HB2 TRP 11 -0.690 3.096 6.235 84 HD1 TRP 11 HD1 TRP 11 -1.327 5.506 7.013 85 HE1 TRP 11 HE1 TRP 11 -3.552 6.782 7.232 86 HE3 TRP 11 HE3 TRP 11 -4.364 2.300 4.429 87 HZ2 TRP 11 HZ2 TRP 11 -6.236 6.472 6.418 88 HZ3 TRP 11 HZ3 TRP 11 -6.746 2.865 4.196 89 HH2 TRP 11 HH2 TRP 11 -7.662 4.908 5.171 90 H LYS 12 H LYS 12 -1.263 4.921 2.281 91 HA LYS 12 HA LYS 12 -0.205 7.202 3.527 92 HB2 LYS 12 HB3 LYS 12 1.851 5.590 3.039 93 HB3 LYS 12 HB2 LYS 12 1.719 6.301 1.436 94 HG2 LYS 12 HG3 LYS 12 1.754 8.560 2.662 95 HG3 LYS 12 HG2 LYS 12 2.361 7.635 4.036 96 HD2 LYS 12 HD3 LYS 12 4.382 7.316 3.089 97 HD3 LYS 12 HD2 LYS 12 3.701 7.086 1.477 98 HE2 LYS 12 HE3 LYS 12 3.557 9.411 1.098 99 HE3 LYS 12 HE2 LYS 12 3.830 9.782 2.800 100 HZ1 LYS 12 HZ1 LYS 12 5.939 8.292 1.467 101 HZ2 LYS 12 HZ2 LYS 12 6.046 9.557 2.585 102 HZ3 LYS 12 HZ3 LYS 12 5.735 9.893 0.956 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 -5.058 5.512 3.567 2 H2 SER 1 HT2 SER 1 -6.338 6.487 2.968 3 H3 SER 1 HT3 SER 1 -4.755 6.653 2.325 4 HA SER 1 HA SER 1 -6.699 4.498 1.965 5 HB2 SER 1 HB3 SER 1 -5.732 4.921 -0.433 6 HB3 SER 1 HB2 SER 1 -6.872 6.077 0.255 7 HG SER 1 HG SER 1 -4.042 6.309 0.267 8 H TRP 2 H TRP 2 -5.725 2.861 0.317 9 HA TRP 2 HA TRP 2 -3.207 1.872 1.490 10 HB2 TRP 2 HB3 TRP 2 -5.584 0.460 0.291 11 HB3 TRP 2 HB2 TRP 2 -4.035 -0.347 0.501 12 HD1 TRP 2 HD1 TRP 2 -7.177 0.106 2.283 13 HE1 TRP 2 HE1 TRP 2 -6.894 -0.391 4.798 14 HE3 TRP 2 HE3 TRP 2 -2.095 0.188 2.533 15 HZ2 TRP 2 HZ2 TRP 2 -4.765 -0.696 6.646 16 HZ3 TRP 2 HZ3 TRP 2 -1.005 -0.196 4.687 17 HH2 TRP 2 HH2 TRP 2 -2.307 -0.635 6.712 18 H THR 3 H THR 3 -1.473 1.632 0.246 19 HA THR 3 HA THR 3 -1.784 1.938 -2.666 20 HB THR 3 HB THR 3 -0.540 3.798 -1.840 21 HG1 THR 3 HG1 THR 3 1.177 3.578 -3.089 22 HG21 THR 3 HG21 THR 3 0.785 1.802 -0.099 23 HG22 THR 3 HG22 THR 3 0.254 3.446 0.254 24 HG23 THR 3 HG23 THR 3 1.736 3.176 -0.663 25 H TRP 4 H TRP 4 -1.145 0.277 -3.914 26 HA TRP 4 HA TRP 4 0.189 -1.966 -2.587 27 HB2 TRP 4 HB3 TRP 4 -1.878 -2.610 -3.531 28 HB3 TRP 4 HB2 TRP 4 -1.587 -1.694 -5.002 29 HD1 TRP 4 HD1 TRP 4 -0.117 -2.817 -6.873 30 HE1 TRP 4 HE1 TRP 4 0.554 -5.276 -7.300 31 HE3 TRP 4 HE3 TRP 4 -1.212 -4.741 -2.285 32 HZ2 TRP 4 HZ2 TRP 4 0.604 -7.712 -5.852 33 HZ3 TRP 4 HZ3 TRP 4 -0.824 -7.131 -1.868 34 HH2 TRP 4 HH2 TRP 4 0.062 -8.589 -3.619 35 H GLU 5 H GLU 5 2.240 -2.494 -3.107 36 HA GLU 5 HA GLU 5 3.332 -1.558 -5.656 37 HB2 GLU 5 HB3 GLU 5 3.796 -0.097 -3.449 38 HB3 GLU 5 HB2 GLU 5 5.120 -1.254 -3.315 39 HG2 GLU 5 HG3 GLU 5 6.263 -0.308 -4.976 40 HG3 GLU 5 HG2 GLU 5 4.832 -0.143 -5.992 41 H ASN 6 H ASN 6 3.967 -3.326 -6.640 42 HA ASN 6 HA ASN 6 4.808 -5.404 -7.046 43 HB2 ASN 6 HB3 ASN 6 6.782 -3.702 -6.369 44 HB3 ASN 6 HB2 ASN 6 7.047 -4.966 -5.164 45 HD21 ASN 6 HD21 ASN 6 6.570 -4.463 -8.632 46 HD22 ASN 6 HD22 ASN 6 7.587 -5.765 -9.139 47 H GLY 7 H GLY 7 2.845 -5.686 -5.082 48 HA2 GLY 7 HA3 GLY 7 2.242 -7.677 -3.961 49 HA3 GLY 7 HA2 GLY 7 3.936 -8.027 -3.720 50 H LYS 8 H LYS 8 2.844 -4.836 -2.845 51 HA LYS 8 HA LYS 8 2.473 -5.683 -0.074 52 HB2 LYS 8 HB3 LYS 8 4.805 -4.191 -1.100 53 HB3 LYS 8 HB2 LYS 8 4.091 -3.564 0.379 54 HG2 LYS 8 HG3 LYS 8 4.741 -6.470 0.130 55 HG3 LYS 8 HG2 LYS 8 5.998 -5.297 0.526 56 HD2 LYS 8 HD3 LYS 8 5.220 -4.989 2.614 57 HD3 LYS 8 HD2 LYS 8 3.535 -5.009 2.091 58 HE2 LYS 8 HE3 LYS 8 3.775 -6.901 3.463 59 HE3 LYS 8 HE2 LYS 8 3.811 -7.520 1.813 60 HZ1 LYS 8 HZ1 LYS 8 5.549 -8.586 2.946 61 HZ2 LYS 8 HZ2 LYS 8 6.086 -7.157 3.672 62 HZ3 LYS 8 HZ3 LYS 8 6.307 -7.396 2.012 63 H TRP 9 H TRP 9 0.986 -4.582 0.975 64 HA TRP 9 HA TRP 9 -0.195 -2.211 -0.281 65 HB2 TRP 9 HB3 TRP 9 -1.139 -4.263 1.684 66 HB3 TRP 9 HB2 TRP 9 -1.903 -2.690 1.687 67 HD1 TRP 9 HD1 TRP 9 -2.310 -5.938 0.285 68 HE1 TRP 9 HE1 TRP 9 -3.831 -5.933 -1.797 69 HE3 TRP 9 HE3 TRP 9 -2.343 -0.926 -0.652 70 HZ2 TRP 9 HZ2 TRP 9 -4.904 -4.035 -3.592 71 HZ3 TRP 9 HZ3 TRP 9 -3.641 -0.092 -2.567 72 HH2 TRP 9 HH2 TRP 9 -4.897 -1.613 -4.004 73 H THR 10 H THR 10 0.161 -0.216 0.539 74 HA THR 10 HA THR 10 1.110 -0.012 3.321 75 HB THR 10 HB THR 10 2.111 2.067 1.507 76 HG1 THR 10 HG1 THR 10 2.809 -0.644 1.134 77 HG21 THR 10 HG21 THR 10 2.854 1.688 3.870 78 HG22 THR 10 HG22 THR 10 4.144 1.797 2.673 79 HG23 THR 10 HG23 THR 10 3.655 0.224 3.302 80 H TRP 11 H TRP 11 0.550 1.879 4.456 81 HA TRP 11 HA TRP 11 -1.779 3.268 3.328 82 HB2 TRP 11 HB3 TRP 11 -2.129 2.075 5.465 83 HB3 TRP 11 HB2 TRP 11 -0.877 3.069 6.212 84 HD1 TRP 11 HD1 TRP 11 -1.515 5.557 6.867 85 HE1 TRP 11 HE1 TRP 11 -3.768 6.785 7.066 86 HE3 TRP 11 HE3 TRP 11 -4.489 2.211 4.390 87 HZ2 TRP 11 HZ2 TRP 11 -6.449 6.390 6.279 88 HZ3 TRP 11 HZ3 TRP 11 -6.886 2.713 4.159 89 HH2 TRP 11 HH2 TRP 11 -7.844 4.759 5.084 90 H LYS 12 H LYS 12 -1.018 5.001 2.236 91 HA LYS 12 HA LYS 12 -0.101 7.252 3.669 92 HB2 LYS 12 HB3 LYS 12 1.967 5.578 3.267 93 HB3 LYS 12 HB2 LYS 12 2.019 6.463 1.749 94 HG2 LYS 12 HG3 LYS 12 3.333 7.862 2.911 95 HG3 LYS 12 HG2 LYS 12 1.797 8.510 3.490 96 HD2 LYS 12 HD3 LYS 12 2.099 7.701 5.572 97 HD3 LYS 12 HD2 LYS 12 2.811 6.195 4.991 98 HE2 LYS 12 HE3 LYS 12 4.934 7.275 4.641 99 HE3 LYS 12 HE2 LYS 12 4.243 8.848 5.037 100 HZ1 LYS 12 HZ1 LYS 12 3.959 6.783 7.063 101 HZ2 LYS 12 HZ2 LYS 12 4.319 8.427 7.234 102 HZ3 LYS 12 HZ3 LYS 12 5.535 7.337 6.793 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 -4.583 7.024 2.339 2 H2 SER 1 HT2 SER 1 -4.553 6.009 3.722 3 H3 SER 1 HT3 SER 1 -5.960 6.921 3.355 4 HA SER 1 HA SER 1 -6.530 4.868 2.644 5 HB2 SER 1 HB3 SER 1 -5.184 6.100 0.226 6 HB3 SER 1 HB2 SER 1 -6.594 5.041 0.233 7 HG SER 1 HG SER 1 -6.666 7.602 0.245 8 H TRP 2 H TRP 2 -5.845 3.142 0.821 9 HA TRP 2 HA TRP 2 -3.225 2.119 1.708 10 HB2 TRP 2 HB3 TRP 2 -5.780 0.759 0.890 11 HB3 TRP 2 HB2 TRP 2 -4.245 -0.097 0.851 12 HD1 TRP 2 HD1 TRP 2 -7.033 0.491 3.129 13 HE1 TRP 2 HE1 TRP 2 -6.351 -0.015 5.564 14 HE3 TRP 2 HE3 TRP 2 -1.987 0.351 2.514 15 HZ2 TRP 2 HZ2 TRP 2 -3.953 -0.409 7.029 16 HZ3 TRP 2 HZ3 TRP 2 -0.563 -0.074 4.454 17 HH2 TRP 2 HH2 TRP 2 -1.518 -0.454 6.676 18 H THR 3 H THR 3 -1.662 1.804 0.278 19 HA THR 3 HA THR 3 -2.325 1.887 -2.592 20 HB THR 3 HB THR 3 -1.194 3.941 -2.040 21 HG1 THR 3 HG1 THR 3 0.098 3.758 -3.674 22 HG21 THR 3 HG21 THR 3 1.145 3.883 -1.139 23 HG22 THR 3 HG22 THR 3 0.840 2.211 -0.670 24 HG23 THR 3 HG23 THR 3 -0.129 3.512 0.022 25 H TRP 4 H TRP 4 -1.652 0.159 -3.743 26 HA TRP 4 HA TRP 4 -0.132 -1.882 -2.337 27 HB2 TRP 4 HB3 TRP 4 -2.068 -2.705 -3.388 28 HB3 TRP 4 HB2 TRP 4 -1.787 -1.767 -4.844 29 HD1 TRP 4 HD1 TRP 4 0.203 -2.697 -6.485 30 HE1 TRP 4 HE1 TRP 4 0.907 -5.137 -6.953 31 HE3 TRP 4 HE3 TRP 4 -1.810 -4.908 -2.359 32 HZ2 TRP 4 HZ2 TRP 4 0.628 -7.669 -5.715 33 HZ3 TRP 4 HZ3 TRP 4 -1.556 -7.339 -2.064 34 HH2 TRP 4 HH2 TRP 4 -0.359 -8.690 -3.710 35 H GLU 5 H GLU 5 1.969 -2.242 -2.666 36 HA GLU 5 HA GLU 5 3.210 -1.397 -5.175 37 HB2 GLU 5 HB3 GLU 5 3.817 -0.316 -2.467 38 HB3 GLU 5 HB2 GLU 5 5.160 -0.563 -3.583 39 HG2 GLU 5 HG3 GLU 5 4.445 1.062 -5.023 40 HG3 GLU 5 HG2 GLU 5 2.755 0.894 -4.549 41 H ASN 6 H ASN 6 4.947 -2.579 -5.823 42 HA ASN 6 HA ASN 6 6.155 -4.505 -6.054 43 HB2 ASN 6 HB3 ASN 6 7.270 -2.912 -4.192 44 HB3 ASN 6 HB2 ASN 6 7.035 -4.373 -3.229 45 HD21 ASN 6 HD21 ASN 6 7.960 -3.740 -6.599 46 HD22 ASN 6 HD22 ASN 6 9.400 -4.693 -6.560 47 H GLY 7 H GLY 7 3.458 -5.062 -5.284 48 HA2 GLY 7 HA3 GLY 7 2.334 -7.032 -4.841 49 HA3 GLY 7 HA2 GLY 7 3.856 -7.758 -4.374 50 H LYS 8 H LYS 8 2.983 -4.794 -2.807 51 HA LYS 8 HA LYS 8 1.812 -6.228 -0.545 52 HB2 LYS 8 HB3 LYS 8 4.528 -5.474 -0.611 53 HB3 LYS 8 HB2 LYS 8 3.731 -4.346 0.477 54 HG2 LYS 8 HG3 LYS 8 3.356 -7.312 0.717 55 HG3 LYS 8 HG2 LYS 8 4.702 -6.468 1.486 56 HD2 LYS 8 HD3 LYS 8 3.390 -5.601 3.088 57 HD3 LYS 8 HD2 LYS 8 2.100 -5.212 1.948 58 HE2 LYS 8 HE3 LYS 8 1.636 -7.740 1.933 59 HE3 LYS 8 HE2 LYS 8 2.625 -7.789 3.392 60 HZ1 LYS 8 HZ1 LYS 8 -0.000 -7.377 3.408 61 HZ2 LYS 8 HZ2 LYS 8 0.535 -5.774 3.347 62 HZ3 LYS 8 HZ3 LYS 8 1.038 -6.786 4.606 63 H TRP 9 H TRP 9 0.501 -5.013 0.774 64 HA TRP 9 HA TRP 9 -0.432 -2.503 -0.331 65 HB2 TRP 9 HB3 TRP 9 -1.381 -4.416 1.762 66 HB3 TRP 9 HB2 TRP 9 -1.995 -2.782 1.791 67 HD1 TRP 9 HD1 TRP 9 -2.589 -6.026 0.317 68 HE1 TRP 9 HE1 TRP 9 -4.353 -5.915 -1.561 69 HE3 TRP 9 HE3 TRP 9 -2.779 -0.969 -0.272 70 HZ2 TRP 9 HZ2 TRP 9 -5.653 -3.921 -3.082 71 HZ3 TRP 9 HZ3 TRP 9 -4.307 -0.033 -1.955 72 HH2 TRP 9 HH2 TRP 9 -5.716 -1.478 -3.328 73 H THR 10 H THR 10 0.153 -0.538 0.367 74 HA THR 10 HA THR 10 1.346 -0.296 3.047 75 HB THR 10 HB THR 10 2.666 1.655 1.789 76 HG1 THR 10 HG1 THR 10 3.038 1.236 -0.288 77 HG21 THR 10 HG21 THR 10 4.201 -0.558 1.071 78 HG22 THR 10 HG22 THR 10 3.312 -1.043 2.516 79 HG23 THR 10 HG23 THR 10 4.321 0.404 2.545 80 H TRP 11 H TRP 11 0.887 1.571 4.193 81 HA TRP 11 HA TRP 11 -1.448 3.035 3.263 82 HB2 TRP 11 HB3 TRP 11 -1.430 2.167 5.563 83 HB3 TRP 11 HB2 TRP 11 0.004 3.131 5.919 84 HD1 TRP 11 HD1 TRP 11 -0.350 5.661 6.513 85 HE1 TRP 11 HE1 TRP 11 -2.435 7.109 6.933 86 HE3 TRP 11 HE3 TRP 11 -3.934 2.461 4.753 87 HZ2 TRP 11 HZ2 TRP 11 -5.227 6.922 6.569 88 HZ3 TRP 11 HZ3 TRP 11 -6.287 3.175 4.826 89 HH2 TRP 11 HH2 TRP 11 -6.919 5.359 5.716 90 H LYS 12 H LYS 12 -0.887 4.575 1.818 91 HA LYS 12 HA LYS 12 0.271 6.971 2.692 92 HB2 LYS 12 HB3 LYS 12 2.255 5.182 2.295 93 HB3 LYS 12 HB2 LYS 12 2.121 5.847 0.672 94 HG2 LYS 12 HG3 LYS 12 2.555 8.061 1.476 95 HG3 LYS 12 HG2 LYS 12 2.494 7.512 3.152 96 HD2 LYS 12 HD3 LYS 12 4.520 6.357 2.969 97 HD3 LYS 12 HD2 LYS 12 4.461 6.352 1.205 98 HE2 LYS 12 HE3 LYS 12 4.602 8.946 2.681 99 HE3 LYS 12 HE2 LYS 12 6.064 7.985 2.461 100 HZ1 LYS 12 HZ1 LYS 12 6.075 8.338 0.230 101 HZ2 LYS 12 HZ2 LYS 12 5.320 9.774 0.709 102 HZ3 LYS 12 HZ3 LYS 12 4.393 8.491 0.113 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -4.536 6.791 2.446 2 H2 SER 1 HT2 SER 1 -4.887 5.640 3.670 3 H3 SER 1 HT3 SER 1 -6.125 6.671 3.078 4 HA SER 1 HA SER 1 -6.549 4.704 2.048 5 HB2 SER 1 HB3 SER 1 -4.722 5.913 -0.002 6 HB3 SER 1 HB2 SER 1 -6.365 5.302 -0.194 7 HG SER 1 HG SER 1 -5.522 7.738 0.971 8 H TRP 2 H TRP 2 -5.642 3.046 0.401 9 HA TRP 2 HA TRP 2 -3.137 1.981 1.537 10 HB2 TRP 2 HB3 TRP 2 -5.569 0.642 0.365 11 HB3 TRP 2 HB2 TRP 2 -4.042 -0.210 0.553 12 HD1 TRP 2 HD1 TRP 2 -7.146 0.331 2.379 13 HE1 TRP 2 HE1 TRP 2 -6.843 -0.182 4.888 14 HE3 TRP 2 HE3 TRP 2 -2.062 0.258 2.557 15 HZ2 TRP 2 HZ2 TRP 2 -4.698 -0.557 6.706 16 HZ3 TRP 2 HZ3 TRP 2 -0.953 -0.166 4.694 17 HH2 TRP 2 HH2 TRP 2 -2.238 -0.571 6.736 18 H THR 3 H THR 3 -1.428 1.696 0.268 19 HA THR 3 HA THR 3 -1.774 1.992 -2.642 20 HB THR 3 HB THR 3 -0.515 3.858 -1.770 21 HG1 THR 3 HG1 THR 3 0.583 3.527 -3.522 22 HG21 THR 3 HG21 THR 3 0.747 1.840 -0.090 23 HG22 THR 3 HG22 THR 3 0.565 3.578 0.154 24 HG23 THR 3 HG23 THR 3 1.884 2.960 -0.840 25 H TRP 4 H TRP 4 -1.157 0.316 -3.879 26 HA TRP 4 HA TRP 4 0.167 -1.929 -2.543 27 HB2 TRP 4 HB3 TRP 4 -1.895 -2.566 -3.492 28 HB3 TRP 4 HB2 TRP 4 -1.610 -1.634 -4.953 29 HD1 TRP 4 HD1 TRP 4 -0.114 -2.742 -6.839 30 HE1 TRP 4 HE1 TRP 4 0.498 -5.207 -7.308 31 HE3 TRP 4 HE3 TRP 4 -1.311 -4.732 -2.302 32 HZ2 TRP 4 HZ2 TRP 4 0.469 -7.670 -5.913 33 HZ3 TRP 4 HZ3 TRP 4 -0.988 -7.140 -1.933 34 HH2 TRP 4 HH2 TRP 4 -0.119 -8.582 -3.707 35 H GLU 5 H GLU 5 2.223 -2.451 -3.033 36 HA GLU 5 HA GLU 5 3.340 -1.569 -5.589 37 HB2 GLU 5 HB3 GLU 5 5.430 -0.847 -4.312 38 HB3 GLU 5 HB2 GLU 5 4.029 0.221 -4.242 39 HG2 GLU 5 HG3 GLU 5 3.886 -1.643 -2.088 40 HG3 GLU 5 HG2 GLU 5 5.486 -0.904 -2.108 41 H ASN 6 H ASN 6 4.274 -3.202 -6.557 42 HA ASN 6 HA ASN 6 5.180 -5.260 -6.937 43 HB2 ASN 6 HB3 ASN 6 6.985 -4.220 -4.749 44 HB3 ASN 6 HB2 ASN 6 7.370 -5.582 -5.806 45 HD21 ASN 6 HD21 ASN 6 6.748 -4.868 -8.235 46 HD22 ASN 6 HD22 ASN 6 7.560 -3.425 -8.728 47 H GLY 7 H GLY 7 2.966 -5.470 -5.107 48 HA2 GLY 7 HA3 GLY 7 2.137 -7.480 -4.180 49 HA3 GLY 7 HA2 GLY 7 3.779 -7.989 -3.872 50 H LYS 8 H LYS 8 2.902 -4.786 -2.834 51 HA LYS 8 HA LYS 8 2.342 -5.784 -0.142 52 HB2 LYS 8 HB3 LYS 8 4.693 -5.508 -0.035 53 HB3 LYS 8 HB2 LYS 8 4.630 -3.975 -0.892 54 HG2 LYS 8 HG3 LYS 8 4.034 -2.802 0.959 55 HG3 LYS 8 HG2 LYS 8 3.194 -4.168 1.695 56 HD2 LYS 8 HD3 LYS 8 6.169 -4.222 1.356 57 HD3 LYS 8 HD2 LYS 8 5.441 -3.360 2.713 58 HE2 LYS 8 HE3 LYS 8 5.536 -5.344 3.755 59 HE3 LYS 8 HE2 LYS 8 4.109 -5.733 2.795 60 HZ1 LYS 8 HZ1 LYS 8 6.701 -6.195 1.545 61 HZ2 LYS 8 HZ2 LYS 8 5.276 -7.101 1.448 62 HZ3 LYS 8 HZ3 LYS 8 6.274 -7.238 2.807 63 H TRP 9 H TRP 9 0.877 -4.657 0.939 64 HA TRP 9 HA TRP 9 -0.227 -2.235 -0.276 65 HB2 TRP 9 HB3 TRP 9 -1.208 -4.273 1.684 66 HB3 TRP 9 HB2 TRP 9 -1.928 -2.680 1.710 67 HD1 TRP 9 HD1 TRP 9 -2.406 -5.906 0.260 68 HE1 TRP 9 HE1 TRP 9 -3.958 -5.840 -1.797 69 HE3 TRP 9 HE3 TRP 9 -2.387 -0.876 -0.578 70 HZ2 TRP 9 HZ2 TRP 9 -5.032 -3.893 -3.539 71 HZ3 TRP 9 HZ3 TRP 9 -3.702 0.012 -2.457 72 HH2 TRP 9 HH2 TRP 9 -4.999 -1.465 -3.903 73 H THR 10 H THR 10 0.187 -0.254 0.545 74 HA THR 10 HA THR 10 1.157 -0.075 3.321 75 HB THR 10 HB THR 10 2.177 1.909 1.367 76 HG1 THR 10 HG1 THR 10 2.458 -0.024 0.225 77 HG21 THR 10 HG21 THR 10 2.924 0.867 3.950 78 HG22 THR 10 HG22 THR 10 3.431 2.347 3.136 79 HG23 THR 10 HG23 THR 10 4.272 0.831 2.814 80 H TRP 11 H TRP 11 0.530 1.722 4.505 81 HA TRP 11 HA TRP 11 -1.786 3.133 3.431 82 HB2 TRP 11 HB3 TRP 11 -1.965 2.077 5.654 83 HB3 TRP 11 HB2 TRP 11 -0.655 3.105 6.239 84 HD1 TRP 11 HD1 TRP 11 -1.278 5.502 7.041 85 HE1 TRP 11 HE1 TRP 11 -3.488 6.804 7.258 86 HE3 TRP 11 HE3 TRP 11 -4.345 2.344 4.434 87 HZ2 TRP 11 HZ2 TRP 11 -6.173 6.529 6.435 88 HZ3 TRP 11 HZ3 TRP 11 -6.720 2.939 4.198 89 HH2 TRP 11 HH2 TRP 11 -7.614 4.988 5.178 90 H LYS 12 H LYS 12 -1.141 4.802 2.181 91 HA LYS 12 HA LYS 12 -0.160 7.150 3.381 92 HB2 LYS 12 HB3 LYS 12 1.920 5.536 3.075 93 HB3 LYS 12 HB2 LYS 12 1.858 6.144 1.426 94 HG2 LYS 12 HG3 LYS 12 3.397 7.484 2.646 95 HG3 LYS 12 HG2 LYS 12 1.954 8.457 2.347 96 HD2 LYS 12 HD3 LYS 12 1.303 7.382 4.726 97 HD3 LYS 12 HD2 LYS 12 3.061 7.425 4.884 98 HE2 LYS 12 HE3 LYS 12 2.855 9.859 4.066 99 HE3 LYS 12 HE2 LYS 12 1.147 9.697 4.471 100 HZ1 LYS 12 HZ1 LYS 12 3.107 8.900 6.490 101 HZ2 LYS 12 HZ2 LYS 12 1.584 9.608 6.685 102 HZ3 LYS 12 HZ3 LYS 12 2.901 10.556 6.209 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 -4.850 5.694 3.708 2 H2 SER 1 HT2 SER 1 -6.104 6.719 3.142 3 H3 SER 1 HT3 SER 1 -4.527 6.842 2.477 4 HA SER 1 HA SER 1 -6.548 4.758 2.117 5 HB2 SER 1 HB3 SER 1 -4.837 6.502 0.332 6 HB3 SER 1 HB2 SER 1 -5.811 5.165 -0.278 7 HG SER 1 HG SER 1 -6.575 7.663 0.408 8 H TRP 2 H TRP 2 -5.657 3.109 0.436 9 HA TRP 2 HA TRP 2 -3.155 2.021 1.555 10 HB2 TRP 2 HB3 TRP 2 -5.598 0.706 0.381 11 HB3 TRP 2 HB2 TRP 2 -4.075 -0.157 0.555 12 HD1 TRP 2 HD1 TRP 2 -7.168 0.382 2.397 13 HE1 TRP 2 HE1 TRP 2 -6.860 -0.153 4.900 14 HE3 TRP 2 HE3 TRP 2 -2.084 0.289 2.558 15 HZ2 TRP 2 HZ2 TRP 2 -4.712 -0.550 6.708 16 HZ3 TRP 2 HZ3 TRP 2 -0.970 -0.156 4.690 17 HH2 TRP 2 HH2 TRP 2 -2.252 -0.573 6.732 18 H THR 3 H THR 3 -1.451 1.734 0.281 19 HA THR 3 HA THR 3 -1.805 2.044 -2.627 20 HB THR 3 HB THR 3 -0.556 3.916 -1.730 21 HG1 THR 3 HG1 THR 3 0.205 3.087 -3.698 22 HG21 THR 3 HG21 THR 3 1.874 2.971 -0.879 23 HG22 THR 3 HG22 THR 3 0.723 1.893 -0.090 24 HG23 THR 3 HG23 THR 3 0.601 3.637 0.143 25 H TRP 4 H TRP 4 -1.183 0.374 -3.867 26 HA TRP 4 HA TRP 4 0.142 -1.873 -2.540 27 HB2 TRP 4 HB3 TRP 4 -1.897 -2.519 -3.525 28 HB3 TRP 4 HB2 TRP 4 -1.606 -1.561 -4.967 29 HD1 TRP 4 HD1 TRP 4 -0.056 -2.622 -6.848 30 HE1 TRP 4 HE1 TRP 4 0.577 -5.074 -7.351 31 HE3 TRP 4 HE3 TRP 4 -1.339 -4.707 -2.376 32 HZ2 TRP 4 HZ2 TRP 4 0.528 -7.565 -6.008 33 HZ3 TRP 4 HZ3 TRP 4 -1.014 -7.121 -2.050 34 HH2 TRP 4 HH2 TRP 4 -0.102 -8.523 -3.833 35 H GLU 5 H GLU 5 2.206 -2.387 -3.005 36 HA GLU 5 HA GLU 5 3.358 -1.473 -5.534 37 HB2 GLU 5 HB3 GLU 5 4.787 -1.030 -2.918 38 HB3 GLU 5 HB2 GLU 5 5.244 -0.440 -4.516 39 HG2 GLU 5 HG3 GLU 5 3.457 1.114 -4.548 40 HG3 GLU 5 HG2 GLU 5 2.712 0.388 -3.125 41 H ASN 6 H ASN 6 4.310 -3.090 -6.506 42 HA ASN 6 HA ASN 6 5.228 -5.140 -6.899 43 HB2 ASN 6 HB3 ASN 6 6.970 -3.819 -4.860 44 HB3 ASN 6 HB2 ASN 6 7.351 -5.460 -5.391 45 HD21 ASN 6 HD21 ASN 6 7.409 -5.750 -7.795 46 HD22 ASN 6 HD22 ASN 6 8.145 -4.491 -8.721 47 H GLY 7 H GLY 7 2.989 -5.385 -5.103 48 HA2 GLY 7 HA3 GLY 7 2.159 -7.413 -4.215 49 HA3 GLY 7 HA2 GLY 7 3.800 -7.916 -3.891 50 H LYS 8 H LYS 8 2.884 -4.734 -2.820 51 HA LYS 8 HA LYS 8 2.265 -5.770 -0.157 52 HB2 LYS 8 HB3 LYS 8 4.698 -4.222 -0.891 53 HB3 LYS 8 HB2 LYS 8 3.938 -3.876 0.656 54 HG2 LYS 8 HG3 LYS 8 4.718 -6.650 -0.196 55 HG3 LYS 8 HG2 LYS 8 5.797 -5.570 0.690 56 HD2 LYS 8 HD3 LYS 8 3.037 -6.174 1.698 57 HD3 LYS 8 HD2 LYS 8 4.385 -7.266 2.022 58 HE2 LYS 8 HE3 LYS 8 4.581 -4.334 2.617 59 HE3 LYS 8 HE2 LYS 8 3.826 -5.446 3.758 60 HZ1 LYS 8 HZ1 LYS 8 6.262 -4.992 4.094 61 HZ2 LYS 8 HZ2 LYS 8 6.552 -5.877 2.683 62 HZ3 LYS 8 HZ3 LYS 8 5.828 -6.625 4.015 63 H TRP 9 H TRP 9 0.770 -4.657 0.882 64 HA TRP 9 HA TRP 9 -0.258 -2.191 -0.297 65 HB2 TRP 9 HB3 TRP 9 -1.290 -4.228 1.638 66 HB3 TRP 9 HB2 TRP 9 -1.989 -2.626 1.662 67 HD1 TRP 9 HD1 TRP 9 -2.468 -5.841 0.177 68 HE1 TRP 9 HE1 TRP 9 -4.001 -5.746 -1.894 69 HE3 TRP 9 HE3 TRP 9 -2.425 -0.802 -0.600 70 HZ2 TRP 9 HZ2 TRP 9 -5.053 -3.775 -3.622 71 HZ3 TRP 9 HZ3 TRP 9 -3.719 0.113 -2.480 72 HH2 TRP 9 HH2 TRP 9 -5.008 -1.342 -3.956 73 H THR 10 H THR 10 0.176 -0.225 0.544 74 HA THR 10 HA THR 10 1.120 -0.083 3.331 75 HB THR 10 HB THR 10 2.179 1.814 1.274 76 HG1 THR 10 HG1 THR 10 3.843 0.380 0.819 77 HG21 THR 10 HG21 THR 10 3.666 0.586 3.560 78 HG22 THR 10 HG22 THR 10 2.617 1.986 3.787 79 HG23 THR 10 HG23 THR 10 3.996 2.086 2.692 80 H TRP 11 H TRP 11 0.525 1.728 4.518 81 HA TRP 11 HA TRP 11 -1.764 3.180 3.435 82 HB2 TRP 11 HB3 TRP 11 -1.984 2.100 5.645 83 HB3 TRP 11 HB2 TRP 11 -0.669 3.105 6.257 84 HD1 TRP 11 HD1 TRP 11 -1.257 5.539 7.012 85 HE1 TRP 11 HE1 TRP 11 -3.460 6.850 7.239 86 HE3 TRP 11 HE3 TRP 11 -4.365 2.356 4.484 87 HZ2 TRP 11 HZ2 TRP 11 -6.156 6.574 6.452 88 HZ3 TRP 11 HZ3 TRP 11 -6.741 2.956 4.268 89 HH2 TRP 11 HH2 TRP 11 -7.616 5.021 5.232 90 H LYS 12 H LYS 12 -1.067 4.849 2.209 91 HA LYS 12 HA LYS 12 -0.032 7.155 3.466 92 HB2 LYS 12 HB3 LYS 12 2.001 5.504 3.077 93 HB3 LYS 12 HB2 LYS 12 1.919 6.149 1.443 94 HG2 LYS 12 HG3 LYS 12 2.001 8.453 2.533 95 HG3 LYS 12 HG2 LYS 12 2.490 7.604 4.001 96 HD2 LYS 12 HD3 LYS 12 4.228 6.484 2.366 97 HD3 LYS 12 HD2 LYS 12 3.947 7.949 1.425 98 HE2 LYS 12 HE3 LYS 12 5.809 8.379 2.833 99 HE3 LYS 12 HE2 LYS 12 4.440 9.261 3.508 100 HZ1 LYS 12 HZ1 LYS 12 5.238 8.282 5.379 101 HZ2 LYS 12 HZ2 LYS 12 5.857 6.933 4.568 102 HZ3 LYS 12 HZ3 LYS 12 4.198 7.045 4.878 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 -4.511 6.839 2.440 2 H2 SER 1 HT2 SER 1 -4.856 5.689 3.666 3 H3 SER 1 HT3 SER 1 -6.095 6.724 3.084 4 HA SER 1 HA SER 1 -6.536 4.764 2.052 5 HB2 SER 1 HB3 SER 1 -5.415 5.221 -0.336 6 HB3 SER 1 HB2 SER 1 -6.698 6.247 0.304 7 HG SER 1 HG SER 1 -3.904 6.729 0.433 8 H TRP 2 H TRP 2 -5.635 3.109 0.387 9 HA TRP 2 HA TRP 2 -3.146 2.015 1.529 10 HB2 TRP 2 HB3 TRP 2 -5.582 0.704 0.335 11 HB3 TRP 2 HB2 TRP 2 -4.063 -0.162 0.526 12 HD1 TRP 2 HD1 TRP 2 -7.171 0.393 2.340 13 HE1 TRP 2 HE1 TRP 2 -6.886 -0.139 4.847 14 HE3 TRP 2 HE3 TRP 2 -2.089 0.276 2.542 15 HZ2 TRP 2 HZ2 TRP 2 -4.754 -0.545 6.672 16 HZ3 TRP 2 HZ3 TRP 2 -0.995 -0.171 4.682 17 HH2 TRP 2 HH2 TRP 2 -2.294 -0.580 6.715 18 H THR 3 H THR 3 -1.432 1.722 0.268 19 HA THR 3 HA THR 3 -1.760 2.036 -2.643 20 HB THR 3 HB THR 3 -0.501 3.890 -1.673 21 HG1 THR 3 HG1 THR 3 0.241 3.297 -3.667 22 HG21 THR 3 HG21 THR 3 0.825 3.620 0.069 23 HG22 THR 3 HG22 THR 3 1.945 2.725 -0.958 24 HG23 THR 3 HG23 THR 3 0.696 1.866 -0.056 25 H TRP 4 H TRP 4 -1.141 0.363 -3.882 26 HA TRP 4 HA TRP 4 0.172 -1.890 -2.549 27 HB2 TRP 4 HB3 TRP 4 -1.883 -2.528 -3.509 28 HB3 TRP 4 HB2 TRP 4 -1.598 -1.584 -4.962 29 HD1 TRP 4 HD1 TRP 4 -0.087 -2.675 -6.851 30 HE1 TRP 4 HE1 TRP 4 0.527 -5.135 -7.338 31 HE3 TRP 4 HE3 TRP 4 -1.312 -4.705 -2.339 32 HZ2 TRP 4 HZ2 TRP 4 0.486 -7.612 -5.966 33 HZ3 TRP 4 HZ3 TRP 4 -0.993 -7.117 -1.991 34 HH2 TRP 4 HH2 TRP 4 -0.116 -8.543 -3.771 35 H GLU 5 H GLU 5 2.228 -2.417 -3.033 36 HA GLU 5 HA GLU 5 3.357 -1.528 -5.582 37 HB2 GLU 5 HB3 GLU 5 3.790 0.096 -3.599 38 HB3 GLU 5 HB2 GLU 5 4.948 -1.126 -3.074 39 HG2 GLU 5 HG3 GLU 5 6.111 0.535 -4.327 40 HG3 GLU 5 HG2 GLU 5 6.057 -0.946 -5.283 41 H ASN 6 H ASN 6 4.285 -3.163 -6.552 42 HA ASN 6 HA ASN 6 5.187 -5.222 -6.934 43 HB2 ASN 6 HB3 ASN 6 6.965 -3.915 -4.910 44 HB3 ASN 6 HB2 ASN 6 7.333 -5.544 -5.483 45 HD21 ASN 6 HD21 ASN 6 7.005 -5.652 -8.010 46 HD22 ASN 6 HD22 ASN 6 7.857 -4.424 -8.877 47 H GLY 7 H GLY 7 2.969 -5.435 -5.109 48 HA2 GLY 7 HA3 GLY 7 2.140 -7.447 -4.187 49 HA3 GLY 7 HA2 GLY 7 3.782 -7.955 -3.875 50 H LYS 8 H LYS 8 2.893 -4.755 -2.835 51 HA LYS 8 HA LYS 8 2.316 -5.758 -0.149 52 HB2 LYS 8 HB3 LYS 8 4.844 -4.712 -0.930 53 HB3 LYS 8 HB2 LYS 8 4.096 -3.554 0.162 54 HG2 LYS 8 HG3 LYS 8 3.706 -6.132 1.261 55 HG3 LYS 8 HG2 LYS 8 5.397 -6.005 0.774 56 HD2 LYS 8 HD3 LYS 8 5.862 -4.433 2.332 57 HD3 LYS 8 HD2 LYS 8 4.286 -3.656 2.168 58 HE2 LYS 8 HE3 LYS 8 3.964 -4.541 4.223 59 HE3 LYS 8 HE2 LYS 8 3.524 -5.968 3.286 60 HZ1 LYS 8 HZ1 LYS 8 5.439 -7.034 3.832 61 HZ2 LYS 8 HZ2 LYS 8 5.278 -6.081 5.220 62 HZ3 LYS 8 HZ3 LYS 8 6.341 -5.611 3.991 63 H TRP 9 H TRP 9 0.833 -4.646 0.909 64 HA TRP 9 HA TRP 9 -0.241 -2.204 -0.287 65 HB2 TRP 9 HB3 TRP 9 -1.244 -4.252 1.651 66 HB3 TRP 9 HB2 TRP 9 -1.958 -2.656 1.684 67 HD1 TRP 9 HD1 TRP 9 -2.435 -5.869 0.204 68 HE1 TRP 9 HE1 TRP 9 -3.975 -5.781 -1.863 69 HE3 TRP 9 HE3 TRP 9 -2.401 -0.831 -0.588 70 HZ2 TRP 9 HZ2 TRP 9 -5.034 -3.816 -3.593 71 HZ3 TRP 9 HZ3 TRP 9 -3.702 0.077 -2.467 72 HH2 TRP 9 HH2 TRP 9 -4.994 -1.384 -3.935 73 H THR 10 H THR 10 0.173 -0.232 0.550 74 HA THR 10 HA THR 10 1.130 -0.077 3.332 75 HB THR 10 HB THR 10 2.163 1.924 1.405 76 HG1 THR 10 HG1 THR 10 3.573 0.579 0.466 77 HG21 THR 10 HG21 THR 10 2.765 1.732 3.878 78 HG22 THR 10 HG22 THR 10 4.081 1.922 2.718 79 HG23 THR 10 HG23 THR 10 3.726 0.333 3.398 80 H TRP 11 H TRP 11 0.580 1.786 4.499 81 HA TRP 11 HA TRP 11 -1.740 3.205 3.416 82 HB2 TRP 11 HB3 TRP 11 -1.995 2.097 5.606 83 HB3 TRP 11 HB2 TRP 11 -0.689 3.091 6.253 84 HD1 TRP 11 HD1 TRP 11 -1.287 5.513 7.039 85 HE1 TRP 11 HE1 TRP 11 -3.491 6.824 7.251 86 HE3 TRP 11 HE3 TRP 11 -4.358 2.376 4.410 87 HZ2 TRP 11 HZ2 TRP 11 -6.174 6.565 6.416 88 HZ3 TRP 11 HZ3 TRP 11 -6.729 2.984 4.165 89 HH2 TRP 11 HH2 TRP 11 -7.617 5.034 5.148 90 H LYS 12 H LYS 12 -1.117 4.941 2.275 91 HA LYS 12 HA LYS 12 0.031 7.169 3.616 92 HB2 LYS 12 HB3 LYS 12 1.984 5.526 2.897 93 HB3 LYS 12 HB2 LYS 12 1.751 6.304 1.337 94 HG2 LYS 12 HG3 LYS 12 1.849 8.456 2.986 95 HG3 LYS 12 HG2 LYS 12 2.942 7.339 3.806 96 HD2 LYS 12 HD3 LYS 12 3.812 7.020 1.298 97 HD3 LYS 12 HD2 LYS 12 3.203 8.671 1.173 98 HE2 LYS 12 HE3 LYS 12 4.562 8.812 3.507 99 HE3 LYS 12 HE2 LYS 12 5.521 7.608 2.646 100 HZ1 LYS 12 HZ1 LYS 12 6.177 9.107 1.090 101 HZ2 LYS 12 HZ2 LYS 12 5.968 10.172 2.387 102 HZ3 LYS 12 HZ3 LYS 12 4.768 10.038 1.202 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 -4.397 6.896 2.563 2 H2 SER 1 HT2 SER 1 -4.774 5.728 3.763 3 H3 SER 1 HT3 SER 1 -5.987 6.801 3.194 4 HA SER 1 HA SER 1 -6.462 4.872 2.119 5 HB2 SER 1 HB3 SER 1 -5.724 7.086 0.732 6 HB3 SER 1 HB2 SER 1 -4.654 5.888 0.003 7 HG SER 1 HG SER 1 -7.222 6.283 -0.483 8 H TRP 2 H TRP 2 -5.607 3.212 0.459 9 HA TRP 2 HA TRP 2 -3.128 2.063 1.566 10 HB2 TRP 2 HB3 TRP 2 -5.600 0.804 0.389 11 HB3 TRP 2 HB2 TRP 2 -4.096 -0.091 0.564 12 HD1 TRP 2 HD1 TRP 2 -7.179 0.516 2.405 13 HE1 TRP 2 HE1 TRP 2 -6.884 -0.030 4.908 14 HE3 TRP 2 HE3 TRP 2 -2.100 0.300 2.566 15 HZ2 TRP 2 HZ2 TRP 2 -4.746 -0.483 6.715 16 HZ3 TRP 2 HZ3 TRP 2 -0.996 -0.174 4.696 17 HH2 TRP 2 HH2 TRP 2 -2.288 -0.564 6.739 18 H THR 3 H THR 3 -1.433 1.745 0.284 19 HA THR 3 HA THR 3 -1.793 2.060 -2.623 20 HB THR 3 HB THR 3 0.656 2.792 -2.567 21 HG1 THR 3 HG1 THR 3 1.477 3.431 -0.633 22 HG21 THR 3 HG21 THR 3 -0.227 4.791 -2.860 23 HG22 THR 3 HG22 THR 3 -0.328 4.977 -1.109 24 HG23 THR 3 HG23 THR 3 -1.692 4.308 -2.005 25 H TRP 4 H TRP 4 -1.178 0.387 -3.859 26 HA TRP 4 HA TRP 4 0.143 -1.863 -2.533 27 HB2 TRP 4 HB3 TRP 4 -1.892 -2.507 -3.528 28 HB3 TRP 4 HB2 TRP 4 -1.598 -1.544 -4.966 29 HD1 TRP 4 HD1 TRP 4 -0.038 -2.598 -6.845 30 HE1 TRP 4 HE1 TRP 4 0.596 -5.048 -7.355 31 HE3 TRP 4 HE3 TRP 4 -1.341 -4.700 -2.387 32 HZ2 TRP 4 HZ2 TRP 4 0.541 -7.544 -6.021 33 HZ3 TRP 4 HZ3 TRP 4 -1.018 -7.115 -2.068 34 HH2 TRP 4 HH2 TRP 4 -0.099 -8.511 -3.852 35 H GLU 5 H GLU 5 2.208 -2.380 -2.994 36 HA GLU 5 HA GLU 5 3.368 -1.459 -5.518 37 HB2 GLU 5 HB3 GLU 5 3.760 0.065 -3.372 38 HB3 GLU 5 HB2 GLU 5 5.042 -1.111 -3.086 39 HG2 GLU 5 HG3 GLU 5 5.855 0.848 -4.286 40 HG3 GLU 5 HG2 GLU 5 6.011 -0.619 -5.251 41 H ASN 6 H ASN 6 4.322 -3.071 -6.495 42 HA ASN 6 HA ASN 6 5.240 -5.118 -6.896 43 HB2 ASN 6 HB3 ASN 6 7.054 -3.463 -5.777 44 HB3 ASN 6 HB2 ASN 6 7.134 -4.818 -4.647 45 HD21 ASN 6 HD21 ASN 6 6.841 -6.986 -6.152 46 HD22 ASN 6 HD22 ASN 6 8.092 -7.105 -7.337 47 H GLY 7 H GLY 7 2.997 -5.374 -5.106 48 HA2 GLY 7 HA3 GLY 7 2.166 -7.406 -4.230 49 HA3 GLY 7 HA2 GLY 7 3.806 -7.912 -3.908 50 H LYS 8 H LYS 8 2.890 -4.736 -2.820 51 HA LYS 8 HA LYS 8 2.264 -5.785 -0.165 52 HB2 LYS 8 HB3 LYS 8 4.822 -4.757 -0.877 53 HB3 LYS 8 HB2 LYS 8 4.070 -3.619 0.232 54 HG2 LYS 8 HG3 LYS 8 3.939 -6.488 0.948 55 HG3 LYS 8 HG2 LYS 8 5.510 -5.692 1.057 56 HD2 LYS 8 HD3 LYS 8 4.807 -5.109 3.114 57 HD3 LYS 8 HD2 LYS 8 3.915 -3.853 2.253 58 HE2 LYS 8 HE3 LYS 8 1.908 -4.905 2.514 59 HE3 LYS 8 HE2 LYS 8 2.630 -6.513 2.529 60 HZ1 LYS 8 HZ1 LYS 8 2.150 -4.676 4.725 61 HZ2 LYS 8 HZ2 LYS 8 3.623 -5.506 4.780 62 HZ3 LYS 8 HZ3 LYS 8 2.169 -6.368 4.712 63 H TRP 9 H TRP 9 0.772 -4.675 0.879 64 HA TRP 9 HA TRP 9 -0.258 -2.208 -0.294 65 HB2 TRP 9 HB3 TRP 9 -1.285 -4.256 1.630 66 HB3 TRP 9 HB2 TRP 9 -1.980 -2.652 1.679 67 HD1 TRP 9 HD1 TRP 9 -2.459 -5.847 0.143 68 HE1 TRP 9 HE1 TRP 9 -4.011 -5.723 -1.912 69 HE3 TRP 9 HE3 TRP 9 -2.453 -0.794 -0.539 70 HZ2 TRP 9 HZ2 TRP 9 -5.090 -3.725 -3.592 71 HZ3 TRP 9 HZ3 TRP 9 -3.770 0.148 -2.389 72 HH2 TRP 9 HH2 TRP 9 -5.063 -1.286 -3.881 73 H THR 10 H THR 10 0.172 -0.243 0.549 74 HA THR 10 HA THR 10 1.141 -0.104 3.328 75 HB THR 10 HB THR 10 2.145 1.739 1.173 76 HG1 THR 10 HG1 THR 10 3.290 -0.731 1.968 77 HG21 THR 10 HG21 THR 10 3.310 0.872 3.807 78 HG22 THR 10 HG22 THR 10 2.611 2.447 3.433 79 HG23 THR 10 HG23 THR 10 4.097 1.930 2.636 80 H TRP 11 H TRP 11 0.555 1.713 4.525 81 HA TRP 11 HA TRP 11 -1.794 3.105 3.504 82 HB2 TRP 11 HB3 TRP 11 -1.920 2.069 5.734 83 HB3 TRP 11 HB2 TRP 11 -0.586 3.088 6.281 84 HD1 TRP 11 HD1 TRP 11 -1.191 5.431 7.195 85 HE1 TRP 11 HE1 TRP 11 -3.373 6.773 7.436 86 HE3 TRP 11 HE3 TRP 11 -4.300 2.437 4.446 87 HZ2 TRP 11 HZ2 TRP 11 -6.054 6.589 6.577 88 HZ3 TRP 11 HZ3 TRP 11 -6.658 3.094 4.207 89 HH2 TRP 11 HH2 TRP 11 -7.516 5.127 5.251 90 H LYS 12 H LYS 12 -1.186 4.763 2.221 91 HA LYS 12 HA LYS 12 -0.138 7.110 3.398 92 HB2 LYS 12 HB3 LYS 12 1.898 5.483 2.921 93 HB3 LYS 12 HB2 LYS 12 1.721 6.111 1.288 94 HG2 LYS 12 HG3 LYS 12 1.664 8.272 3.170 95 HG3 LYS 12 HG2 LYS 12 3.091 7.270 3.441 96 HD2 LYS 12 HD3 LYS 12 3.559 9.061 1.846 97 HD3 LYS 12 HD2 LYS 12 3.688 7.477 1.078 98 HE2 LYS 12 HE3 LYS 12 1.471 7.741 0.116 99 HE3 LYS 12 HE2 LYS 12 1.285 9.295 0.930 100 HZ1 LYS 12 HZ1 LYS 12 2.635 10.329 -0.539 101 HZ2 LYS 12 HZ2 LYS 12 2.121 9.083 -1.560 102 HZ3 LYS 12 HZ3 LYS 12 3.621 8.976 -0.785 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 -5.986 6.772 3.170 2 H2 SER 1 HT2 SER 1 -4.410 6.861 2.496 3 H3 SER 1 HT3 SER 1 -4.754 5.722 3.732 4 HA SER 1 HA SER 1 -6.472 4.813 2.154 5 HB2 SER 1 HB3 SER 1 -5.736 5.211 -0.250 6 HB3 SER 1 HB2 SER 1 -6.517 6.579 0.544 7 HG SER 1 HG SER 1 -4.633 7.624 0.643 8 H TRP 2 H TRP 2 -5.625 3.146 0.472 9 HA TRP 2 HA TRP 2 -3.124 2.027 1.561 10 HB2 TRP 2 HB3 TRP 2 -5.597 0.739 0.418 11 HB3 TRP 2 HB2 TRP 2 -4.083 -0.143 0.584 12 HD1 TRP 2 HD1 TRP 2 -7.154 0.447 2.449 13 HE1 TRP 2 HE1 TRP 2 -6.831 -0.080 4.952 14 HE3 TRP 2 HE3 TRP 2 -2.070 0.287 2.568 15 HZ2 TRP 2 HZ2 TRP 2 -4.673 -0.497 6.744 16 HZ3 TRP 2 HZ3 TRP 2 -0.944 -0.162 4.691 17 HH2 TRP 2 HH2 TRP 2 -2.214 -0.552 6.747 18 H THR 3 H THR 3 -1.441 1.706 0.263 19 HA THR 3 HA THR 3 -1.835 1.997 -2.642 20 HB THR 3 HB THR 3 -0.590 3.890 -1.810 21 HG1 THR 3 HG1 THR 3 0.444 3.531 -3.601 22 HG21 THR 3 HG21 THR 3 0.755 1.900 -0.153 23 HG22 THR 3 HG22 THR 3 0.518 3.628 0.105 24 HG23 THR 3 HG23 THR 3 1.838 3.062 -0.919 25 H TRP 4 H TRP 4 -1.217 0.320 -3.871 26 HA TRP 4 HA TRP 4 0.119 -1.915 -2.541 27 HB2 TRP 4 HB3 TRP 4 -1.904 -2.568 -3.553 28 HB3 TRP 4 HB2 TRP 4 -1.601 -1.602 -4.988 29 HD1 TRP 4 HD1 TRP 4 -0.015 -2.644 -6.852 30 HE1 TRP 4 HE1 TRP 4 0.633 -5.091 -7.360 31 HE3 TRP 4 HE3 TRP 4 -1.361 -4.763 -2.412 32 HZ2 TRP 4 HZ2 TRP 4 0.573 -7.590 -6.034 33 HZ3 TRP 4 HZ3 TRP 4 -1.032 -7.178 -2.098 34 HH2 TRP 4 HH2 TRP 4 -0.088 -8.565 -3.876 35 H GLU 5 H GLU 5 2.193 -2.421 -2.984 36 HA GLU 5 HA GLU 5 3.369 -1.491 -5.497 37 HB2 GLU 5 HB3 GLU 5 4.190 -0.681 -2.749 38 HB3 GLU 5 HB2 GLU 5 5.446 -0.909 -3.966 39 HG2 GLU 5 HG3 GLU 5 4.124 0.665 -5.434 40 HG3 GLU 5 HG2 GLU 5 3.153 1.030 -4.009 41 H ASN 6 H ASN 6 4.346 -3.093 -6.468 42 HA ASN 6 HA ASN 6 5.280 -5.134 -6.866 43 HB2 ASN 6 HB3 ASN 6 7.137 -3.567 -6.013 44 HB3 ASN 6 HB2 ASN 6 7.077 -4.531 -4.535 45 HD21 ASN 6 HD21 ASN 6 7.282 -4.924 -8.053 46 HD22 ASN 6 HD22 ASN 6 8.396 -6.243 -8.013 47 H GLY 7 H GLY 7 3.017 -5.405 -5.099 48 HA2 GLY 7 HA3 GLY 7 2.185 -7.444 -4.240 49 HA3 GLY 7 HA2 GLY 7 3.824 -7.946 -3.906 50 H LYS 8 H LYS 8 2.890 -4.779 -2.810 51 HA LYS 8 HA LYS 8 2.231 -5.837 -0.169 52 HB2 LYS 8 HB3 LYS 8 4.577 -4.027 -0.725 53 HB3 LYS 8 HB2 LYS 8 3.894 -4.255 0.879 54 HG2 LYS 8 HG3 LYS 8 4.966 -6.491 -0.824 55 HG3 LYS 8 HG2 LYS 8 5.903 -5.639 0.405 56 HD2 LYS 8 HD3 LYS 8 3.321 -7.109 0.926 57 HD3 LYS 8 HD2 LYS 8 4.930 -7.775 1.211 58 HE2 LYS 8 HE3 LYS 8 5.310 -5.695 2.668 59 HE3 LYS 8 HE2 LYS 8 3.559 -5.501 2.609 60 HZ1 LYS 8 HZ1 LYS 8 3.681 -8.030 3.312 61 HZ2 LYS 8 HZ2 LYS 8 3.724 -6.781 4.452 62 HZ3 LYS 8 HZ3 LYS 8 5.160 -7.529 3.964 63 H TRP 9 H TRP 9 0.729 -4.720 0.853 64 HA TRP 9 HA TRP 9 -0.261 -2.240 -0.317 65 HB2 TRP 9 HB3 TRP 9 -1.310 -4.263 1.624 66 HB3 TRP 9 HB2 TRP 9 -1.991 -2.653 1.651 67 HD1 TRP 9 HD1 TRP 9 -2.481 -5.863 0.144 68 HE1 TRP 9 HE1 TRP 9 -4.030 -5.750 -1.914 69 HE3 TRP 9 HE3 TRP 9 -2.454 -0.817 -0.578 70 HZ2 TRP 9 HZ2 TRP 9 -5.099 -3.761 -3.612 71 HZ3 TRP 9 HZ3 TRP 9 -3.764 0.116 -2.437 72 HH2 TRP 9 HH2 TRP 9 -5.061 -1.325 -3.920 73 H THR 10 H THR 10 0.192 -0.276 0.515 74 HA THR 10 HA THR 10 1.146 -0.130 3.298 75 HB THR 10 HB THR 10 2.217 1.806 1.306 76 HG1 THR 10 HG1 THR 10 3.136 0.313 0.187 77 HG21 THR 10 HG21 THR 10 3.242 2.315 3.237 78 HG22 THR 10 HG22 THR 10 4.318 1.002 2.758 79 HG23 THR 10 HG23 THR 10 3.017 0.700 3.910 80 H TRP 11 H TRP 11 0.529 1.654 4.492 81 HA TRP 11 HA TRP 11 -1.764 3.098 3.437 82 HB2 TRP 11 HB3 TRP 11 -1.900 2.095 5.685 83 HB3 TRP 11 HB2 TRP 11 -0.558 3.111 6.215 84 HD1 TRP 11 HD1 TRP 11 -1.121 5.523 7.005 85 HE1 TRP 11 HE1 TRP 11 -3.300 6.870 7.252 86 HE3 TRP 11 HE3 TRP 11 -4.304 2.394 4.502 87 HZ2 TRP 11 HZ2 TRP 11 -6.006 6.639 6.489 88 HZ3 TRP 11 HZ3 TRP 11 -6.671 3.034 4.308 89 HH2 TRP 11 HH2 TRP 11 -7.503 5.112 5.282 90 H LYS 12 H LYS 12 -1.128 4.728 2.130 91 HA LYS 12 HA LYS 12 -0.120 7.102 3.234 92 HB2 LYS 12 HB3 LYS 12 1.942 5.410 2.929 93 HB3 LYS 12 HB2 LYS 12 1.908 6.099 1.311 94 HG2 LYS 12 HG3 LYS 12 2.560 8.159 2.021 95 HG3 LYS 12 HG2 LYS 12 1.811 7.972 3.608 96 HD2 LYS 12 HD3 LYS 12 4.243 7.982 3.789 97 HD3 LYS 12 HD2 LYS 12 3.585 6.414 4.260 98 HE2 LYS 12 HE3 LYS 12 4.278 6.675 1.415 99 HE3 LYS 12 HE2 LYS 12 5.644 6.766 2.526 100 HZ1 LYS 12 HZ1 LYS 12 5.411 4.512 2.023 101 HZ2 LYS 12 HZ2 LYS 12 3.726 4.545 2.162 102 HZ3 LYS 12 HZ3 LYS 12 4.690 4.666 3.546 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 -4.672 6.785 2.496 2 H2 SER 1 HT2 SER 1 -4.938 5.639 3.745 3 H3 SER 1 HT3 SER 1 -6.230 6.623 3.191 4 HA SER 1 HA SER 1 -6.639 4.642 2.192 5 HB2 SER 1 HB3 SER 1 -6.268 6.778 0.700 6 HB3 SER 1 HB2 SER 1 -4.897 5.862 0.074 7 HG SER 1 HG SER 1 -6.222 4.547 -0.918 8 H TRP 2 H TRP 2 -5.718 3.013 0.496 9 HA TRP 2 HA TRP 2 -3.189 1.984 1.608 10 HB2 TRP 2 HB3 TRP 2 -5.607 0.615 0.446 11 HB3 TRP 2 HB2 TRP 2 -4.064 -0.215 0.608 12 HD1 TRP 2 HD1 TRP 2 -7.155 0.250 2.471 13 HE1 TRP 2 HE1 TRP 2 -6.817 -0.280 4.972 14 HE3 TRP 2 HE3 TRP 2 -2.067 0.279 2.600 15 HZ2 TRP 2 HZ2 TRP 2 -4.648 -0.628 6.765 16 HZ3 TRP 2 HZ3 TRP 2 -0.930 -0.141 4.723 17 HH2 TRP 2 HH2 TRP 2 -2.188 -0.592 6.773 18 H THR 3 H THR 3 -1.481 1.735 0.328 19 HA THR 3 HA THR 3 -1.850 2.050 -2.577 20 HB THR 3 HB THR 3 0.319 3.073 -2.697 21 HG1 THR 3 HG1 THR 3 1.519 1.998 -1.222 22 HG21 THR 3 HG21 THR 3 -0.465 4.472 -0.248 23 HG22 THR 3 HG22 THR 3 -1.734 4.326 -1.464 24 HG23 THR 3 HG23 THR 3 -0.198 5.086 -1.879 25 H TRP 4 H TRP 4 -1.223 0.389 -3.832 26 HA TRP 4 HA TRP 4 0.128 -1.853 -2.520 27 HB2 TRP 4 HB3 TRP 4 -1.914 -2.516 -3.489 28 HB3 TRP 4 HB2 TRP 4 -1.643 -1.554 -4.933 29 HD1 TRP 4 HD1 TRP 4 -0.065 -2.594 -6.814 30 HE1 TRP 4 HE1 TRP 4 0.581 -5.040 -7.326 31 HE3 TRP 4 HE3 TRP 4 -1.367 -4.707 -2.360 32 HZ2 TRP 4 HZ2 TRP 4 0.534 -7.538 -5.995 33 HZ3 TRP 4 HZ3 TRP 4 -1.034 -7.122 -2.045 34 HH2 TRP 4 HH2 TRP 4 -0.106 -8.511 -3.830 35 H GLU 5 H GLU 5 2.190 -2.350 -3.002 36 HA GLU 5 HA GLU 5 3.314 -1.431 -5.542 37 HB2 GLU 5 HB3 GLU 5 3.719 0.174 -3.524 38 HB3 GLU 5 HB2 GLU 5 4.914 -1.031 -3.043 39 HG2 GLU 5 HG3 GLU 5 5.956 -0.781 -5.295 40 HG3 GLU 5 HG2 GLU 5 4.847 0.555 -5.599 41 H ASN 6 H ASN 6 4.274 -3.045 -6.518 42 HA ASN 6 HA ASN 6 5.205 -5.089 -6.909 43 HB2 ASN 6 HB3 ASN 6 6.944 -3.670 -4.962 44 HB3 ASN 6 HB2 ASN 6 7.321 -5.360 -5.309 45 HD21 ASN 6 HD21 ASN 6 6.062 -2.768 -7.368 46 HD22 ASN 6 HD22 ASN 6 7.339 -2.835 -8.529 47 H GLY 7 H GLY 7 2.976 -5.347 -5.099 48 HA2 GLY 7 HA3 GLY 7 2.167 -7.381 -4.208 49 HA3 GLY 7 HA2 GLY 7 3.813 -7.873 -3.895 50 H LYS 8 H LYS 8 2.874 -4.703 -2.791 51 HA LYS 8 HA LYS 8 2.236 -5.766 -0.149 52 HB2 LYS 8 HB3 LYS 8 3.907 -4.345 0.965 53 HB3 LYS 8 HB2 LYS 8 4.645 -5.554 -0.075 54 HG2 LYS 8 HG3 LYS 8 5.533 -4.019 -1.458 55 HG3 LYS 8 HG2 LYS 8 4.143 -2.940 -1.329 56 HD2 LYS 8 HD3 LYS 8 6.283 -3.311 0.767 57 HD3 LYS 8 HD2 LYS 8 6.164 -1.950 -0.349 58 HE2 LYS 8 HE3 LYS 8 4.904 -0.924 1.170 59 HE3 LYS 8 HE2 LYS 8 3.652 -2.122 0.846 60 HZ1 LYS 8 HZ1 LYS 8 3.878 -2.555 3.019 61 HZ2 LYS 8 HZ2 LYS 8 5.420 -1.868 3.121 62 HZ3 LYS 8 HZ3 LYS 8 5.235 -3.449 2.548 63 H TRP 9 H TRP 9 0.746 -4.654 0.890 64 HA TRP 9 HA TRP 9 -0.259 -2.176 -0.273 65 HB2 TRP 9 HB3 TRP 9 -1.295 -4.198 1.678 66 HB3 TRP 9 HB2 TRP 9 -1.992 -2.595 1.680 67 HD1 TRP 9 HD1 TRP 9 -2.473 -5.826 0.231 68 HE1 TRP 9 HE1 TRP 9 -3.998 -5.752 -1.846 69 HE3 TRP 9 HE3 TRP 9 -2.415 -0.798 -0.605 70 HZ2 TRP 9 HZ2 TRP 9 -5.040 -3.799 -3.600 71 HZ3 TRP 9 HZ3 TRP 9 -3.702 0.099 -2.500 72 HH2 TRP 9 HH2 TRP 9 -4.989 -1.370 -3.963 73 H THR 10 H THR 10 0.182 -0.212 0.561 74 HA THR 10 HA THR 10 1.130 -0.060 3.345 75 HB THR 10 HB THR 10 2.359 2.064 2.031 76 HG1 THR 10 HG1 THR 10 2.723 -0.294 0.503 77 HG21 THR 10 HG21 THR 10 3.513 0.913 3.732 78 HG22 THR 10 HG22 THR 10 4.447 0.689 2.253 79 HG23 THR 10 HG23 THR 10 3.426 -0.616 2.857 80 H TRP 11 H TRP 11 0.420 1.654 4.556 81 HA TRP 11 HA TRP 11 -1.842 3.117 3.472 82 HB2 TRP 11 HB3 TRP 11 -2.000 2.074 5.708 83 HB3 TRP 11 HB2 TRP 11 -0.691 3.114 6.273 84 HD1 TRP 11 HD1 TRP 11 -1.312 5.538 7.018 85 HE1 TRP 11 HE1 TRP 11 -3.530 6.822 7.250 86 HE3 TRP 11 HE3 TRP 11 -4.398 2.287 4.552 87 HZ2 TRP 11 HZ2 TRP 11 -6.229 6.501 6.491 88 HZ3 TRP 11 HZ3 TRP 11 -6.784 2.852 4.350 89 HH2 TRP 11 HH2 TRP 11 -7.679 4.915 5.300 90 H LYS 12 H LYS 12 -1.189 4.770 2.202 91 HA LYS 12 HA LYS 12 -0.229 7.135 3.356 92 HB2 LYS 12 HB3 LYS 12 1.850 5.414 3.019 93 HB3 LYS 12 HB2 LYS 12 1.877 6.266 1.481 94 HG2 LYS 12 HG3 LYS 12 1.707 8.383 3.048 95 HG3 LYS 12 HG2 LYS 12 2.419 7.271 4.220 96 HD2 LYS 12 HD3 LYS 12 4.343 8.056 3.305 97 HD3 LYS 12 HD2 LYS 12 4.020 6.767 2.143 98 HE2 LYS 12 HE3 LYS 12 4.489 8.626 0.811 99 HE3 LYS 12 HE2 LYS 12 2.728 8.540 0.823 100 HZ1 LYS 12 HZ1 LYS 12 2.577 10.339 2.271 101 HZ2 LYS 12 HZ2 LYS 12 3.805 10.798 1.201 102 HZ3 LYS 12 HZ3 LYS 12 4.198 10.234 2.747 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 -5.819 7.082 3.355 2 H2 SER 1 HT2 SER 1 -4.453 7.139 2.318 3 H3 SER 1 HT3 SER 1 -4.428 6.150 3.720 4 HA SER 1 HA SER 1 -6.438 5.028 2.688 5 HB2 SER 1 HB3 SER 1 -5.380 6.788 0.537 6 HB3 SER 1 HB2 SER 1 -5.846 5.154 0.063 7 HG SER 1 HG SER 1 -7.808 5.878 0.076 8 H TRP 2 H TRP 2 -5.810 3.264 0.876 9 HA TRP 2 HA TRP 2 -3.195 2.206 1.739 10 HB2 TRP 2 HB3 TRP 2 -5.784 0.880 0.972 11 HB3 TRP 2 HB2 TRP 2 -4.263 -0.001 0.921 12 HD1 TRP 2 HD1 TRP 2 -7.006 0.669 3.236 13 HE1 TRP 2 HE1 TRP 2 -6.296 0.171 5.664 14 HE3 TRP 2 HE3 TRP 2 -1.978 0.407 2.539 15 HZ2 TRP 2 HZ2 TRP 2 -3.883 -0.264 7.094 16 HZ3 TRP 2 HZ3 TRP 2 -0.532 -0.032 4.458 17 HH2 TRP 2 HH2 TRP 2 -1.457 -0.369 6.700 18 H THR 3 H THR 3 -1.660 1.856 0.289 19 HA THR 3 HA THR 3 -2.364 1.887 -2.570 20 HB THR 3 HB THR 3 -0.215 3.005 -3.012 21 HG1 THR 3 HG1 THR 3 0.012 2.896 -0.200 22 HG21 THR 3 HG21 THR 3 -1.658 4.729 -2.933 23 HG22 THR 3 HG22 THR 3 -0.726 5.136 -1.492 24 HG23 THR 3 HG23 THR 3 -2.268 4.293 -1.337 25 H TRP 4 H TRP 4 -1.677 0.145 -3.693 26 HA TRP 4 HA TRP 4 -0.109 -1.836 -2.259 27 HB2 TRP 4 HB3 TRP 4 -2.047 -2.711 -3.265 28 HB3 TRP 4 HB2 TRP 4 -1.791 -1.811 -4.751 29 HD1 TRP 4 HD1 TRP 4 0.219 -2.755 -6.369 30 HE1 TRP 4 HE1 TRP 4 0.948 -5.199 -6.776 31 HE3 TRP 4 HE3 TRP 4 -1.771 -4.882 -2.190 32 HZ2 TRP 4 HZ2 TRP 4 0.692 -7.705 -5.476 33 HZ3 TRP 4 HZ3 TRP 4 -1.497 -7.303 -1.836 34 HH2 TRP 4 HH2 TRP 4 -0.286 -8.683 -3.446 35 H GLU 5 H GLU 5 1.981 -2.173 -2.598 36 HA GLU 5 HA GLU 5 3.198 -1.394 -5.139 37 HB2 GLU 5 HB3 GLU 5 3.350 0.341 -3.086 38 HB3 GLU 5 HB2 GLU 5 4.756 -0.662 -2.729 39 HG2 GLU 5 HG3 GLU 5 5.940 0.226 -4.389 40 HG3 GLU 5 HG2 GLU 5 4.601 0.101 -5.529 41 H ASN 6 H ASN 6 5.110 -2.469 -5.657 42 HA ASN 6 HA ASN 6 6.361 -4.377 -5.822 43 HB2 ASN 6 HB3 ASN 6 7.211 -2.828 -3.739 44 HB3 ASN 6 HB2 ASN 6 7.009 -4.396 -2.951 45 HD21 ASN 6 HD21 ASN 6 7.651 -6.038 -5.126 46 HD22 ASN 6 HD22 ASN 6 9.335 -5.856 -5.466 47 H GLY 7 H GLY 7 3.608 -4.959 -5.326 48 HA2 GLY 7 HA3 GLY 7 2.426 -6.913 -5.027 49 HA3 GLY 7 HA2 GLY 7 3.906 -7.685 -4.501 50 H LYS 8 H LYS 8 2.966 -4.790 -2.837 51 HA LYS 8 HA LYS 8 1.637 -6.327 -0.735 52 HB2 LYS 8 HB3 LYS 8 3.093 -5.658 1.003 53 HB3 LYS 8 HB2 LYS 8 4.123 -6.261 -0.286 54 HG2 LYS 8 HG3 LYS 8 5.257 -4.364 -0.258 55 HG3 LYS 8 HG2 LYS 8 3.795 -3.483 -0.703 56 HD2 LYS 8 HD3 LYS 8 4.798 -2.601 1.354 57 HD3 LYS 8 HD2 LYS 8 3.189 -3.265 1.645 58 HE2 LYS 8 HE3 LYS 8 4.944 -3.852 3.358 59 HE3 LYS 8 HE2 LYS 8 4.074 -5.214 2.653 60 HZ1 LYS 8 HZ1 LYS 8 5.905 -5.892 1.479 61 HZ2 LYS 8 HZ2 LYS 8 6.648 -5.275 2.867 62 HZ3 LYS 8 HZ3 LYS 8 6.613 -4.356 1.447 63 H TRP 9 H TRP 9 0.575 -5.005 0.885 64 HA TRP 9 HA TRP 9 -0.473 -2.545 -0.287 65 HB2 TRP 9 HB3 TRP 9 -1.371 -4.451 1.830 66 HB3 TRP 9 HB2 TRP 9 -1.971 -2.813 1.891 67 HD1 TRP 9 HD1 TRP 9 -2.625 -6.040 0.400 68 HE1 TRP 9 HE1 TRP 9 -4.447 -5.900 -1.421 69 HE3 TRP 9 HE3 TRP 9 -2.822 -0.974 -0.117 70 HZ2 TRP 9 HZ2 TRP 9 -5.788 -3.883 -2.875 71 HZ3 TRP 9 HZ3 TRP 9 -4.398 -0.013 -1.739 72 HH2 TRP 9 HH2 TRP 9 -5.853 -1.437 -3.086 73 H THR 10 H THR 10 0.133 -0.577 0.374 74 HA THR 10 HA THR 10 1.393 -0.308 3.022 75 HB THR 10 HB THR 10 2.312 1.500 0.856 76 HG1 THR 10 HG1 THR 10 2.935 -1.252 0.973 77 HG21 THR 10 HG21 THR 10 3.707 1.976 2.515 78 HG22 THR 10 HG22 THR 10 4.503 0.452 2.122 79 HG23 THR 10 HG23 THR 10 3.292 0.510 3.403 80 H TRP 11 H TRP 11 1.003 1.610 4.136 81 HA TRP 11 HA TRP 11 -1.369 3.048 3.250 82 HB2 TRP 11 HB3 TRP 11 -1.304 2.234 5.562 83 HB3 TRP 11 HB2 TRP 11 0.157 3.178 5.864 84 HD1 TRP 11 HD1 TRP 11 -0.137 5.710 6.452 85 HE1 TRP 11 HE1 TRP 11 -2.181 7.209 6.893 86 HE3 TRP 11 HE3 TRP 11 -3.824 2.579 4.778 87 HZ2 TRP 11 HZ2 TRP 11 -4.982 7.084 6.575 88 HZ3 TRP 11 HZ3 TRP 11 -6.157 3.348 4.883 89 HH2 TRP 11 HH2 TRP 11 -6.723 5.554 5.764 90 H LYS 12 H LYS 12 -0.852 4.557 1.764 91 HA LYS 12 HA LYS 12 0.428 6.938 2.588 92 HB2 LYS 12 HB3 LYS 12 2.272 5.062 1.896 93 HB3 LYS 12 HB2 LYS 12 2.003 5.844 0.344 94 HG2 LYS 12 HG3 LYS 12 2.735 7.923 1.138 95 HG3 LYS 12 HG2 LYS 12 2.606 7.419 2.825 96 HD2 LYS 12 HD3 LYS 12 4.443 5.830 2.482 97 HD3 LYS 12 HD2 LYS 12 4.576 6.352 0.801 98 HE2 LYS 12 HE3 LYS 12 5.580 8.313 1.348 99 HE3 LYS 12 HE2 LYS 12 4.697 8.466 2.866 100 HZ1 LYS 12 HZ1 LYS 12 6.156 6.985 3.929 101 HZ2 LYS 12 HZ2 LYS 12 7.155 8.023 3.043 102 HZ3 LYS 12 HZ3 LYS 12 6.841 6.462 2.473 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 -4.660 6.744 2.495 2 H2 SER 1 HT2 SER 1 -4.993 5.593 3.724 3 H3 SER 1 HT3 SER 1 -6.244 6.612 3.137 4 HA SER 1 HA SER 1 -6.654 4.637 2.115 5 HB2 SER 1 HB3 SER 1 -4.846 5.964 0.101 6 HB3 SER 1 HB2 SER 1 -6.403 5.179 -0.166 7 HG SER 1 HG SER 1 -7.303 6.930 1.136 8 H TRP 2 H TRP 2 -5.736 2.994 0.453 9 HA TRP 2 HA TRP 2 -3.215 1.953 1.576 10 HB2 TRP 2 HB3 TRP 2 -5.636 0.590 0.408 11 HB3 TRP 2 HB2 TRP 2 -4.098 -0.245 0.590 12 HD1 TRP 2 HD1 TRP 2 -7.203 0.255 2.425 13 HE1 TRP 2 HE1 TRP 2 -6.888 -0.263 4.932 14 HE3 TRP 2 HE3 TRP 2 -2.118 0.241 2.590 15 HZ2 TRP 2 HZ2 TRP 2 -4.735 -0.618 6.743 16 HZ3 TRP 2 HZ3 TRP 2 -0.999 -0.176 4.723 17 HH2 TRP 2 HH2 TRP 2 -2.275 -0.604 6.767 18 H THR 3 H THR 3 -1.507 1.691 0.301 19 HA THR 3 HA THR 3 -1.869 1.988 -2.608 20 HB THR 3 HB THR 3 -0.636 3.872 -1.747 21 HG1 THR 3 HG1 THR 3 0.207 3.123 -3.664 22 HG21 THR 3 HG21 THR 3 0.471 3.640 0.163 23 HG22 THR 3 HG22 THR 3 1.780 2.980 -0.818 24 HG23 THR 3 HG23 THR 3 0.629 1.895 -0.038 25 H TRP 4 H TRP 4 -1.232 0.323 -3.847 26 HA TRP 4 HA TRP 4 0.137 -1.901 -2.521 27 HB2 TRP 4 HB3 TRP 4 -1.918 -2.579 -3.452 28 HB3 TRP 4 HB2 TRP 4 -1.668 -1.637 -4.912 29 HD1 TRP 4 HD1 TRP 4 -0.160 -2.708 -6.817 30 HE1 TRP 4 HE1 TRP 4 0.491 -5.160 -7.300 31 HE3 TRP 4 HE3 TRP 4 -1.294 -4.740 -2.281 32 HZ2 TRP 4 HZ2 TRP 4 0.512 -7.630 -5.919 33 HZ3 TRP 4 HZ3 TRP 4 -0.928 -7.145 -1.927 34 HH2 TRP 4 HH2 TRP 4 -0.047 -8.563 -3.713 35 H GLU 5 H GLU 5 2.196 -2.389 -3.027 36 HA GLU 5 HA GLU 5 3.277 -1.492 -5.593 37 HB2 GLU 5 HB3 GLU 5 3.741 0.233 -3.826 38 HB3 GLU 5 HB2 GLU 5 4.714 -0.977 -2.991 39 HG2 GLU 5 HG3 GLU 5 6.378 -0.925 -4.562 40 HG3 GLU 5 HG2 GLU 5 5.300 -0.383 -5.847 41 H ASN 6 H ASN 6 4.226 -3.113 -6.566 42 HA ASN 6 HA ASN 6 5.162 -5.157 -6.950 43 HB2 ASN 6 HB3 ASN 6 7.075 -3.653 -6.357 44 HB3 ASN 6 HB2 ASN 6 7.006 -4.303 -4.717 45 HD21 ASN 6 HD21 ASN 6 6.786 -5.741 -7.957 46 HD22 ASN 6 HD22 ASN 6 8.032 -6.910 -7.707 47 H GLY 7 H GLY 7 2.967 -5.401 -5.102 48 HA2 GLY 7 HA3 GLY 7 2.182 -7.424 -4.163 49 HA3 GLY 7 HA2 GLY 7 3.836 -7.901 -3.865 50 H LYS 8 H LYS 8 2.899 -4.712 -2.831 51 HA LYS 8 HA LYS 8 2.373 -5.714 -0.132 52 HB2 LYS 8 HB3 LYS 8 4.627 -3.867 -0.883 53 HB3 LYS 8 HB2 LYS 8 3.993 -3.956 0.755 54 HG2 LYS 8 HG3 LYS 8 4.998 -6.368 -0.724 55 HG3 LYS 8 HG2 LYS 8 6.043 -5.341 0.260 56 HD2 LYS 8 HD3 LYS 8 3.526 -6.616 1.312 57 HD3 LYS 8 HD2 LYS 8 5.110 -7.389 1.409 58 HE2 LYS 8 HE3 LYS 8 5.965 -5.503 2.693 59 HE3 LYS 8 HE2 LYS 8 4.404 -4.693 2.565 60 HZ1 LYS 8 HZ1 LYS 8 4.585 -5.762 4.690 61 HZ2 LYS 8 HZ2 LYS 8 4.956 -7.248 3.974 62 HZ3 LYS 8 HZ3 LYS 8 3.417 -6.576 3.776 63 H TRP 9 H TRP 9 0.882 -4.624 0.941 64 HA TRP 9 HA TRP 9 -0.252 -2.207 -0.254 65 HB2 TRP 9 HB3 TRP 9 -1.199 -4.266 1.701 66 HB3 TRP 9 HB2 TRP 9 -1.943 -2.684 1.732 67 HD1 TRP 9 HD1 TRP 9 -2.372 -5.914 0.275 68 HE1 TRP 9 HE1 TRP 9 -3.929 -5.868 -1.779 69 HE3 TRP 9 HE3 TRP 9 -2.437 -0.882 -0.549 70 HZ2 TRP 9 HZ2 TRP 9 -5.040 -3.934 -3.512 71 HZ3 TRP 9 HZ3 TRP 9 -3.771 -0.010 -2.421 72 HH2 TRP 9 HH2 TRP 9 -5.047 -1.504 -3.869 73 H THR 10 H THR 10 0.137 -0.225 0.577 74 HA THR 10 HA THR 10 1.106 -0.049 3.353 75 HB THR 10 HB THR 10 2.290 2.103 2.102 76 HG1 THR 10 HG1 THR 10 2.529 -0.150 0.398 77 HG21 THR 10 HG21 THR 10 3.275 0.429 3.732 78 HG22 THR 10 HG22 THR 10 4.351 1.073 2.491 79 HG23 THR 10 HG23 THR 10 3.673 -0.546 2.316 80 H TRP 11 H TRP 11 0.503 1.776 4.532 81 HA TRP 11 HA TRP 11 -1.837 3.163 3.460 82 HB2 TRP 11 HB3 TRP 11 -2.045 2.063 5.659 83 HB3 TRP 11 HB2 TRP 11 -0.751 3.086 6.286 84 HD1 TRP 11 HD1 TRP 11 -1.390 5.491 7.080 85 HE1 TRP 11 HE1 TRP 11 -3.615 6.765 7.305 86 HE3 TRP 11 HE3 TRP 11 -4.421 2.303 4.468 87 HZ2 TRP 11 HZ2 TRP 11 -6.298 6.460 6.485 88 HZ3 TRP 11 HZ3 TRP 11 -6.804 2.869 4.237 89 HH2 TRP 11 HH2 TRP 11 -7.721 4.904 5.225 90 H LYS 12 H LYS 12 -1.174 4.858 2.251 91 HA LYS 12 HA LYS 12 -0.267 7.201 3.491 92 HB2 LYS 12 HB3 LYS 12 1.849 5.612 3.288 93 HB3 LYS 12 HB2 LYS 12 1.870 6.240 1.646 94 HG2 LYS 12 HG3 LYS 12 1.533 8.350 3.599 95 HG3 LYS 12 HG2 LYS 12 2.999 7.409 3.884 96 HD2 LYS 12 HD3 LYS 12 3.995 8.154 2.000 97 HD3 LYS 12 HD2 LYS 12 2.492 8.131 1.075 98 HE2 LYS 12 HE3 LYS 12 2.670 10.161 3.208 99 HE3 LYS 12 HE2 LYS 12 3.755 10.388 1.836 100 HZ1 LYS 12 HZ1 LYS 12 1.816 10.229 0.365 101 HZ2 LYS 12 HZ2 LYS 12 1.687 11.524 1.446 102 HZ3 LYS 12 HZ3 LYS 12 0.801 10.108 1.714 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 -6.163 6.674 3.184 2 H2 SER 1 HT2 SER 1 -4.603 6.796 2.477 3 H3 SER 1 HT3 SER 1 -4.889 5.672 3.742 4 HA SER 1 HA SER 1 -6.609 4.680 2.218 5 HB2 SER 1 HB3 SER 1 -5.564 5.116 -0.223 6 HB3 SER 1 HB2 SER 1 -6.880 6.091 0.432 7 HG SER 1 HG SER 1 -5.186 7.387 -0.390 8 H TRP 2 H TRP 2 -5.718 3.040 0.501 9 HA TRP 2 HA TRP 2 -3.193 1.984 1.598 10 HB2 TRP 2 HB3 TRP 2 -5.630 0.640 0.445 11 HB3 TRP 2 HB2 TRP 2 -4.094 -0.205 0.602 12 HD1 TRP 2 HD1 TRP 2 -7.175 0.291 2.475 13 HE1 TRP 2 HE1 TRP 2 -6.836 -0.243 4.974 14 HE3 TRP 2 HE3 TRP 2 -2.087 0.270 2.589 15 HZ2 TRP 2 HZ2 TRP 2 -4.666 -0.613 6.761 16 HZ3 TRP 2 HZ3 TRP 2 -0.949 -0.162 4.710 17 HH2 TRP 2 HH2 TRP 2 -2.206 -0.601 6.763 18 H THR 3 H THR 3 -1.497 1.709 0.307 19 HA THR 3 HA THR 3 -1.881 2.021 -2.598 20 HB THR 3 HB THR 3 0.308 3.030 -2.726 21 HG1 THR 3 HG1 THR 3 1.643 2.307 -1.272 22 HG21 THR 3 HG21 THR 3 -0.585 4.478 -0.329 23 HG22 THR 3 HG22 THR 3 -1.765 4.330 -1.632 24 HG23 THR 3 HG23 THR 3 -0.196 5.071 -1.944 25 H TRP 4 H TRP 4 -1.250 0.357 -3.845 26 HA TRP 4 HA TRP 4 0.099 -1.880 -2.530 27 HB2 TRP 4 HB3 TRP 4 -1.928 -2.538 -3.532 28 HB3 TRP 4 HB2 TRP 4 -1.637 -1.568 -4.966 29 HD1 TRP 4 HD1 TRP 4 -0.069 -2.603 -6.844 30 HE1 TRP 4 HE1 TRP 4 0.593 -5.045 -7.358 31 HE3 TRP 4 HE3 TRP 4 -1.349 -4.727 -2.390 32 HZ2 TRP 4 HZ2 TRP 4 0.567 -7.543 -6.028 33 HZ3 TRP 4 HZ3 TRP 4 -0.998 -7.139 -2.075 34 HH2 TRP 4 HH2 TRP 4 -0.062 -8.521 -3.861 35 H GLU 5 H GLU 5 2.171 -2.372 -2.986 36 HA GLU 5 HA GLU 5 3.329 -1.429 -5.501 37 HB2 GLU 5 HB3 GLU 5 3.703 0.164 -3.477 38 HB3 GLU 5 HB2 GLU 5 4.881 -1.045 -2.968 39 HG2 GLU 5 HG3 GLU 5 6.336 0.070 -4.220 40 HG3 GLU 5 HG2 GLU 5 5.518 -0.647 -5.607 41 H ASN 6 H ASN 6 4.299 -3.032 -6.480 42 HA ASN 6 HA ASN 6 5.240 -5.069 -6.883 43 HB2 ASN 6 HB3 ASN 6 7.066 -3.434 -5.921 44 HB3 ASN 6 HB2 ASN 6 7.089 -4.592 -4.587 45 HD21 ASN 6 HD21 ASN 6 7.263 -4.411 -8.117 46 HD22 ASN 6 HD22 ASN 6 8.373 -5.721 -8.304 47 H GLY 7 H GLY 7 2.997 -5.349 -5.095 48 HA2 GLY 7 HA3 GLY 7 2.186 -7.391 -4.223 49 HA3 GLY 7 HA2 GLY 7 3.831 -7.881 -3.900 50 H LYS 8 H LYS 8 2.884 -4.716 -2.810 51 HA LYS 8 HA LYS 8 2.258 -5.769 -0.158 52 HB2 LYS 8 HB3 LYS 8 4.822 -4.773 -0.851 53 HB3 LYS 8 HB2 LYS 8 4.075 -3.596 0.219 54 HG2 LYS 8 HG3 LYS 8 4.309 -6.535 0.824 55 HG3 LYS 8 HG2 LYS 8 5.434 -5.299 1.391 56 HD2 LYS 8 HD3 LYS 8 4.010 -4.552 2.969 57 HD3 LYS 8 HD2 LYS 8 2.601 -4.730 1.923 58 HE2 LYS 8 HE3 LYS 8 3.995 -7.111 3.103 59 HE3 LYS 8 HE2 LYS 8 2.764 -6.227 4.003 60 HZ1 LYS 8 HZ1 LYS 8 1.204 -6.650 2.199 61 HZ2 LYS 8 HZ2 LYS 8 1.803 -8.098 2.834 62 HZ3 LYS 8 HZ3 LYS 8 2.386 -7.519 1.356 63 H TRP 9 H TRP 9 0.751 -4.666 0.872 64 HA TRP 9 HA TRP 9 -0.268 -2.195 -0.298 65 HB2 TRP 9 HB3 TRP 9 -1.300 -4.230 1.640 66 HB3 TRP 9 HB2 TRP 9 -2.000 -2.629 1.659 67 HD1 TRP 9 HD1 TRP 9 -2.464 -5.848 0.172 68 HE1 TRP 9 HE1 TRP 9 -3.998 -5.758 -1.898 69 HE3 TRP 9 HE3 TRP 9 -2.450 -0.808 -0.595 70 HZ2 TRP 9 HZ2 TRP 9 -5.062 -3.789 -3.621 71 HZ3 TRP 9 HZ3 TRP 9 -3.751 0.104 -2.472 72 HH2 TRP 9 HH2 TRP 9 -5.032 -1.355 -3.951 73 H THR 10 H THR 10 0.169 -0.230 0.542 74 HA THR 10 HA THR 10 1.114 -0.086 3.328 75 HB THR 10 HB THR 10 2.177 1.852 1.330 76 HG1 THR 10 HG1 THR 10 2.518 -0.142 0.320 77 HG21 THR 10 HG21 THR 10 3.913 2.136 2.762 78 HG22 THR 10 HG22 THR 10 3.843 0.477 3.356 79 HG23 THR 10 HG23 THR 10 2.664 1.664 3.914 80 H TRP 11 H TRP 11 0.477 1.687 4.526 81 HA TRP 11 HA TRP 11 -1.802 3.144 3.446 82 HB2 TRP 11 HB3 TRP 11 -1.985 2.083 5.672 83 HB3 TRP 11 HB2 TRP 11 -0.674 3.110 6.257 84 HD1 TRP 11 HD1 TRP 11 -1.278 5.551 6.981 85 HE1 TRP 11 HE1 TRP 11 -3.493 6.840 7.220 86 HE3 TRP 11 HE3 TRP 11 -4.384 2.294 4.547 87 HZ2 TRP 11 HZ2 TRP 11 -6.197 6.520 6.476 88 HZ3 TRP 11 HZ3 TRP 11 -6.769 2.862 4.356 89 HH2 TRP 11 HH2 TRP 11 -7.656 4.931 5.302 90 H LYS 12 H LYS 12 -1.125 4.802 2.195 91 HA LYS 12 HA LYS 12 -0.063 7.117 3.425 92 HB2 LYS 12 HB3 LYS 12 1.932 5.384 2.869 93 HB3 LYS 12 HB2 LYS 12 1.842 6.239 1.335 94 HG2 LYS 12 HG3 LYS 12 2.351 8.306 2.338 95 HG3 LYS 12 HG2 LYS 12 2.063 7.676 3.961 96 HD2 LYS 12 HD3 LYS 12 3.993 6.006 3.265 97 HD3 LYS 12 HD2 LYS 12 4.412 7.324 2.168 98 HE2 LYS 12 HE3 LYS 12 5.638 7.559 4.239 99 HE3 LYS 12 HE2 LYS 12 4.468 8.869 4.084 100 HZ1 LYS 12 HZ1 LYS 12 3.594 6.482 5.511 101 HZ2 LYS 12 HZ2 LYS 12 3.253 8.110 5.815 102 HZ3 LYS 12 HZ3 LYS 12 4.738 7.455 6.291 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 -5.980 6.880 3.440 2 H2 SER 1 HT2 SER 1 -4.604 6.975 2.419 3 H3 SER 1 HT3 SER 1 -4.582 5.958 3.801 4 HA SER 1 HA SER 1 -6.565 4.831 2.724 5 HB2 SER 1 HB3 SER 1 -5.540 6.675 0.639 6 HB3 SER 1 HB2 SER 1 -5.918 5.038 0.103 7 HG SER 1 HG SER 1 -7.980 5.403 0.413 8 H TRP 2 H TRP 2 -5.901 3.112 0.889 9 HA TRP 2 HA TRP 2 -3.279 2.072 1.748 10 HB2 TRP 2 HB3 TRP 2 -5.844 0.725 0.937 11 HB3 TRP 2 HB2 TRP 2 -4.311 -0.136 0.895 12 HD1 TRP 2 HD1 TRP 2 -7.095 0.453 3.175 13 HE1 TRP 2 HE1 TRP 2 -6.414 -0.058 5.609 14 HE3 TRP 2 HE3 TRP 2 -2.049 0.309 2.560 15 HZ2 TRP 2 HZ2 TRP 2 -4.017 -0.457 7.073 16 HZ3 TRP 2 HZ3 TRP 2 -0.626 -0.121 4.500 17 HH2 TRP 2 HH2 TRP 2 -1.583 -0.504 6.721 18 H THR 3 H THR 3 -1.729 1.758 0.302 19 HA THR 3 HA THR 3 -2.419 1.843 -2.561 20 HB THR 3 HB THR 3 -1.316 3.915 -2.025 21 HG1 THR 3 HG1 THR 3 0.580 3.679 -3.295 22 HG21 THR 3 HG21 THR 3 1.035 3.894 -1.149 23 HG22 THR 3 HG22 THR 3 0.753 2.221 -0.664 24 HG23 THR 3 HG23 THR 3 -0.225 3.516 0.026 25 H TRP 4 H TRP 4 -1.732 0.127 -3.716 26 HA TRP 4 HA TRP 4 -0.177 -1.898 -2.329 27 HB2 TRP 4 HB3 TRP 4 -2.095 -2.745 -3.392 28 HB3 TRP 4 HB2 TRP 4 -1.831 -1.783 -4.836 29 HD1 TRP 4 HD1 TRP 4 0.173 -2.657 -6.492 30 HE1 TRP 4 HE1 TRP 4 0.918 -5.079 -6.991 31 HE3 TRP 4 HE3 TRP 4 -1.798 -4.956 -2.392 32 HZ2 TRP 4 HZ2 TRP 4 0.684 -7.631 -5.786 33 HZ3 TRP 4 HZ3 TRP 4 -1.502 -7.385 -2.129 34 HH2 TRP 4 HH2 TRP 4 -0.284 -8.694 -3.794 35 H GLU 5 H GLU 5 1.933 -2.223 -2.656 36 HA GLU 5 HA GLU 5 3.163 -1.330 -5.155 37 HB2 GLU 5 HB3 GLU 5 4.025 -0.452 -2.401 38 HB3 GLU 5 HB2 GLU 5 5.050 -0.308 -3.829 39 HG2 GLU 5 HG3 GLU 5 3.496 1.191 -4.865 40 HG3 GLU 5 HG2 GLU 5 2.324 0.942 -3.572 41 H ASN 6 H ASN 6 4.897 -2.493 -5.825 42 HA ASN 6 HA ASN 6 6.134 -4.398 -6.074 43 HB2 ASN 6 HB3 ASN 6 7.199 -2.789 -4.151 44 HB3 ASN 6 HB2 ASN 6 7.084 -4.324 -3.286 45 HD21 ASN 6 HD21 ASN 6 8.144 -2.996 -6.398 46 HD22 ASN 6 HD22 ASN 6 9.529 -4.017 -6.557 47 H GLY 7 H GLY 7 3.456 -5.003 -5.271 48 HA2 GLY 7 HA3 GLY 7 2.376 -6.998 -4.821 49 HA3 GLY 7 HA2 GLY 7 3.915 -7.692 -4.361 50 H LYS 8 H LYS 8 2.991 -4.741 -2.796 51 HA LYS 8 HA LYS 8 1.853 -6.190 -0.528 52 HB2 LYS 8 HB3 LYS 8 3.406 -5.202 1.067 53 HB3 LYS 8 HB2 LYS 8 4.270 -6.170 -0.119 54 HG2 LYS 8 HG3 LYS 8 5.214 -4.327 -1.137 55 HG3 LYS 8 HG2 LYS 8 3.970 -3.230 -0.536 56 HD2 LYS 8 HD3 LYS 8 6.082 -4.576 1.148 57 HD3 LYS 8 HD2 LYS 8 6.124 -2.899 0.602 58 HE2 LYS 8 HE3 LYS 8 3.755 -2.828 1.759 59 HE3 LYS 8 HE2 LYS 8 4.410 -4.190 2.666 60 HZ1 LYS 8 HZ1 LYS 8 5.930 -1.674 2.400 61 HZ2 LYS 8 HZ2 LYS 8 6.078 -2.883 3.574 62 HZ3 LYS 8 HZ3 LYS 8 4.742 -1.847 3.592 63 H TRP 9 H TRP 9 0.482 -5.021 0.735 64 HA TRP 9 HA TRP 9 -0.457 -2.505 -0.332 65 HB2 TRP 9 HB3 TRP 9 -1.387 -4.444 1.745 66 HB3 TRP 9 HB2 TRP 9 -2.018 -2.817 1.790 67 HD1 TRP 9 HD1 TRP 9 -2.562 -6.052 0.271 68 HE1 TRP 9 HE1 TRP 9 -4.333 -5.942 -1.601 69 HE3 TRP 9 HE3 TRP 9 -2.842 -0.991 -0.235 70 HZ2 TRP 9 HZ2 TRP 9 -5.671 -3.946 -3.087 71 HZ3 TRP 9 HZ3 TRP 9 -4.390 -0.054 -1.900 72 HH2 TRP 9 HH2 TRP 9 -5.777 -1.501 -3.293 73 H THR 10 H THR 10 0.104 -0.537 0.381 74 HA THR 10 HA THR 10 1.295 -0.302 3.065 75 HB THR 10 HB THR 10 2.241 1.564 0.963 76 HG1 THR 10 HG1 THR 10 2.889 -1.184 1.021 77 HG21 THR 10 HG21 THR 10 3.212 0.456 3.484 78 HG22 THR 10 HG22 THR 10 3.549 2.006 2.714 79 HG23 THR 10 HG23 THR 10 4.431 0.563 2.214 80 H TRP 11 H TRP 11 0.854 1.585 4.207 81 HA TRP 11 HA TRP 11 -1.515 3.014 3.300 82 HB2 TRP 11 HB3 TRP 11 -1.478 2.136 5.594 83 HB3 TRP 11 HB2 TRP 11 -0.051 3.112 5.950 84 HD1 TRP 11 HD1 TRP 11 -0.426 5.631 6.566 85 HE1 TRP 11 HE1 TRP 11 -2.522 7.058 7.005 86 HE3 TRP 11 HE3 TRP 11 -3.989 2.416 4.793 87 HZ2 TRP 11 HZ2 TRP 11 -5.313 6.851 6.649 88 HZ3 TRP 11 HZ3 TRP 11 -6.348 3.109 4.880 89 HH2 TRP 11 HH2 TRP 11 -6.995 5.280 5.789 90 H LYS 12 H LYS 12 -0.994 4.579 1.872 91 HA LYS 12 HA LYS 12 0.171 6.971 2.761 92 HB2 LYS 12 HB3 LYS 12 2.157 5.223 2.310 93 HB3 LYS 12 HB2 LYS 12 1.961 5.845 0.677 94 HG2 LYS 12 HG3 LYS 12 3.505 7.316 1.446 95 HG3 LYS 12 HG2 LYS 12 2.041 8.167 1.945 96 HD2 LYS 12 HD3 LYS 12 2.250 7.367 4.182 97 HD3 LYS 12 HD2 LYS 12 3.542 6.256 3.726 98 HE2 LYS 12 HE3 LYS 12 4.028 9.091 3.102 99 HE3 LYS 12 HE2 LYS 12 3.945 8.699 4.819 100 HZ1 LYS 12 HZ1 LYS 12 5.593 7.028 3.054 101 HZ2 LYS 12 HZ2 LYS 12 5.789 7.372 4.698 102 HZ3 LYS 12 HZ3 LYS 12 6.187 8.537 3.538 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 -4.876 5.637 3.680 2 H2 SER 1 HT2 SER 1 -6.096 6.683 3.075 3 H3 SER 1 HT3 SER 1 -4.495 6.783 2.464 4 HA SER 1 HA SER 1 -6.524 4.717 2.040 5 HB2 SER 1 HB3 SER 1 -6.370 6.682 0.528 6 HB3 SER 1 HB2 SER 1 -4.689 6.269 0.192 7 HG SER 1 HG SER 1 -5.318 4.688 -1.069 8 H TRP 2 H TRP 2 -5.621 3.054 0.402 9 HA TRP 2 HA TRP 2 -3.122 1.979 1.542 10 HB2 TRP 2 HB3 TRP 2 -5.555 0.646 0.363 11 HB3 TRP 2 HB2 TRP 2 -4.032 -0.210 0.562 12 HD1 TRP 2 HD1 TRP 2 -7.144 0.348 2.371 13 HE1 TRP 2 HE1 TRP 2 -6.856 -0.161 4.882 14 HE3 TRP 2 HE3 TRP 2 -2.062 0.251 2.573 15 HZ2 TRP 2 HZ2 TRP 2 -4.723 -0.544 6.711 16 HZ3 TRP 2 HZ3 TRP 2 -0.965 -0.174 4.716 17 HH2 TRP 2 HH2 TRP 2 -2.263 -0.570 6.753 18 H THR 3 H THR 3 -1.412 1.688 0.275 19 HA THR 3 HA THR 3 -1.755 1.988 -2.635 20 HB THR 3 HB THR 3 0.469 2.935 -2.732 21 HG1 THR 3 HG1 THR 3 1.793 3.023 -1.013 22 HG21 THR 3 HG21 THR 3 -0.859 4.745 -2.348 23 HG22 THR 3 HG22 THR 3 0.208 4.835 -0.947 24 HG23 THR 3 HG23 THR 3 -1.409 4.152 -0.781 25 H TRP 4 H TRP 4 -1.145 0.310 -3.873 26 HA TRP 4 HA TRP 4 0.180 -1.937 -2.539 27 HB2 TRP 4 HB3 TRP 4 -1.890 -2.575 -3.472 28 HB3 TRP 4 HB2 TRP 4 -1.614 -1.647 -4.937 29 HD1 TRP 4 HD1 TRP 4 -0.134 -2.761 -6.831 30 HE1 TRP 4 HE1 TRP 4 0.474 -5.227 -7.298 31 HE3 TRP 4 HE3 TRP 4 -1.298 -4.739 -2.280 32 HZ2 TRP 4 HZ2 TRP 4 0.453 -7.687 -5.897 33 HZ3 TRP 4 HZ3 TRP 4 -0.973 -7.147 -1.908 34 HH2 TRP 4 HH2 TRP 4 -0.119 -8.593 -3.684 35 H GLU 5 H GLU 5 2.231 -2.462 -3.044 36 HA GLU 5 HA GLU 5 3.329 -1.586 -5.610 37 HB2 GLU 5 HB3 GLU 5 3.793 0.090 -3.731 38 HB3 GLU 5 HB2 GLU 5 4.869 -1.138 -3.065 39 HG2 GLU 5 HG3 GLU 5 5.532 -0.887 -5.784 40 HG3 GLU 5 HG2 GLU 5 5.343 0.750 -5.159 41 H ASN 6 H ASN 6 4.247 -3.227 -6.581 42 HA ASN 6 HA ASN 6 5.148 -5.288 -6.959 43 HB2 ASN 6 HB3 ASN 6 6.984 -3.602 -5.834 44 HB3 ASN 6 HB2 ASN 6 7.124 -5.030 -4.804 45 HD21 ASN 6 HD21 ASN 6 6.749 -7.085 -6.472 46 HD22 ASN 6 HD22 ASN 6 7.962 -7.112 -7.703 47 H GLY 7 H GLY 7 2.951 -5.488 -5.108 48 HA2 GLY 7 HA3 GLY 7 2.133 -7.495 -4.161 49 HA3 GLY 7 HA2 GLY 7 3.779 -7.998 -3.863 50 H LYS 8 H LYS 8 2.898 -4.790 -2.844 51 HA LYS 8 HA LYS 8 2.364 -5.769 -0.138 52 HB2 LYS 8 HB3 LYS 8 4.573 -3.832 -0.831 53 HB3 LYS 8 HB2 LYS 8 4.016 -4.160 0.804 54 HG2 LYS 8 HG3 LYS 8 4.531 -6.672 -0.136 55 HG3 LYS 8 HG2 LYS 8 5.781 -5.711 -0.928 56 HD2 LYS 8 HD3 LYS 8 6.784 -6.322 1.077 57 HD3 LYS 8 HD2 LYS 8 6.169 -4.704 1.421 58 HE2 LYS 8 HE3 LYS 8 5.591 -6.033 3.286 59 HE3 LYS 8 HE2 LYS 8 4.107 -5.825 2.356 60 HZ1 LYS 8 HZ1 LYS 8 5.783 -8.228 2.656 61 HZ2 LYS 8 HZ2 LYS 8 4.803 -8.049 1.289 62 HZ3 LYS 8 HZ3 LYS 8 4.107 -8.066 2.831 63 H TRP 9 H TRP 9 0.897 -4.651 0.941 64 HA TRP 9 HA TRP 9 -0.218 -2.231 -0.268 65 HB2 TRP 9 HB3 TRP 9 -1.185 -4.273 1.695 66 HB3 TRP 9 HB2 TRP 9 -1.910 -2.682 1.725 67 HD1 TRP 9 HD1 TRP 9 -2.394 -5.907 0.283 68 HE1 TRP 9 HE1 TRP 9 -3.951 -5.845 -1.771 69 HE3 TRP 9 HE3 TRP 9 -2.371 -0.879 -0.569 70 HZ2 TRP 9 HZ2 TRP 9 -5.027 -3.901 -3.515 71 HZ3 TRP 9 HZ3 TRP 9 -3.690 0.006 -2.447 72 HH2 TRP 9 HH2 TRP 9 -4.992 -1.474 -3.886 73 H THR 10 H THR 10 0.189 -0.249 0.552 74 HA THR 10 HA THR 10 1.170 -0.066 3.323 75 HB THR 10 HB THR 10 2.170 1.924 1.364 76 HG1 THR 10 HG1 THR 10 3.185 -0.720 1.478 77 HG21 THR 10 HG21 THR 10 4.021 0.488 3.121 78 HG22 THR 10 HG22 THR 10 2.769 1.415 3.947 79 HG23 THR 10 HG23 THR 10 3.851 2.216 2.808 80 H TRP 11 H TRP 11 0.501 1.692 4.524 81 HA TRP 11 HA TRP 11 -1.823 3.091 3.467 82 HB2 TRP 11 HB3 TRP 11 -1.962 2.055 5.701 83 HB3 TRP 11 HB2 TRP 11 -0.648 3.094 6.258 84 HD1 TRP 11 HD1 TRP 11 -1.289 5.455 7.119 85 HE1 TRP 11 HE1 TRP 11 -3.495 6.762 7.332 86 HE3 TRP 11 HE3 TRP 11 -4.337 2.354 4.423 87 HZ2 TRP 11 HZ2 TRP 11 -6.172 6.513 6.473 88 HZ3 TRP 11 HZ3 TRP 11 -6.706 2.963 4.168 89 HH2 TRP 11 HH2 TRP 11 -7.604 4.999 5.172 90 H LYS 12 H LYS 12 -1.283 4.797 2.237 91 HA LYS 12 HA LYS 12 -0.265 7.141 3.400 92 HB2 LYS 12 HB3 LYS 12 1.797 5.473 2.913 93 HB3 LYS 12 HB2 LYS 12 1.694 6.277 1.352 94 HG2 LYS 12 HG3 LYS 12 1.566 8.395 3.045 95 HG3 LYS 12 HG2 LYS 12 2.610 7.292 3.942 96 HD2 LYS 12 HD3 LYS 12 4.273 7.373 2.373 97 HD3 LYS 12 HD2 LYS 12 3.153 7.684 1.045 98 HE2 LYS 12 HE3 LYS 12 3.889 9.672 3.190 99 HE3 LYS 12 HE2 LYS 12 4.599 9.621 1.577 100 HZ1 LYS 12 HZ1 LYS 12 2.919 11.221 1.464 101 HZ2 LYS 12 HZ2 LYS 12 1.815 10.276 2.330 102 HZ3 LYS 12 HZ3 LYS 12 2.232 9.851 0.747 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 -4.645 5.881 3.800 2 H2 SER 1 HT2 SER 1 -6.022 6.820 3.389 3 H3 SER 1 HT3 SER 1 -4.593 6.928 2.444 4 HA SER 1 HA SER 1 -6.572 4.784 2.607 5 HB2 SER 1 HB3 SER 1 -5.145 5.867 0.189 6 HB3 SER 1 HB2 SER 1 -6.744 5.131 0.294 7 HG SER 1 HG SER 1 -6.110 7.706 0.407 8 H TRP 2 H TRP 2 -5.852 3.085 0.800 9 HA TRP 2 HA TRP 2 -3.246 2.049 1.711 10 HB2 TRP 2 HB3 TRP 2 -5.782 0.693 0.819 11 HB3 TRP 2 HB2 TRP 2 -4.243 -0.158 0.828 12 HD1 TRP 2 HD1 TRP 2 -7.108 0.403 3.010 13 HE1 TRP 2 HE1 TRP 2 -6.509 -0.108 5.466 14 HE3 TRP 2 HE3 TRP 2 -2.041 0.302 2.574 15 HZ2 TRP 2 HZ2 TRP 2 -4.162 -0.491 7.013 16 HZ3 TRP 2 HZ3 TRP 2 -0.685 -0.123 4.563 17 HH2 TRP 2 HH2 TRP 2 -1.717 -0.518 6.747 18 H THR 3 H THR 3 -1.663 1.750 0.297 19 HA THR 3 HA THR 3 -2.288 1.882 -2.580 20 HB THR 3 HB THR 3 -0.164 3.010 -2.944 21 HG1 THR 3 HG1 THR 3 1.068 2.163 -1.288 22 HG21 THR 3 HG21 THR 3 -2.163 4.194 -1.166 23 HG22 THR 3 HG22 THR 3 -1.452 4.811 -2.658 24 HG23 THR 3 HG23 THR 3 -0.582 4.976 -1.133 25 H TRP 4 H TRP 4 -1.617 0.172 -3.750 26 HA TRP 4 HA TRP 4 -0.097 -1.893 -2.369 27 HB2 TRP 4 HB3 TRP 4 -2.051 -2.709 -3.391 28 HB3 TRP 4 HB2 TRP 4 -1.797 -1.759 -4.845 29 HD1 TRP 4 HD1 TRP 4 0.133 -2.684 -6.548 30 HE1 TRP 4 HE1 TRP 4 0.835 -5.118 -7.041 31 HE3 TRP 4 HE3 TRP 4 -1.742 -4.917 -2.364 32 HZ2 TRP 4 HZ2 TRP 4 0.611 -7.653 -5.801 33 HZ3 TRP 4 HZ3 TRP 4 -1.459 -7.343 -2.082 34 HH2 TRP 4 HH2 TRP 4 -0.308 -8.684 -3.769 35 H GLU 5 H GLU 5 2.005 -2.253 -2.737 36 HA GLU 5 HA GLU 5 3.193 -1.384 -5.265 37 HB2 GLU 5 HB3 GLU 5 3.842 -0.325 -2.561 38 HB3 GLU 5 HB2 GLU 5 5.176 -0.579 -3.686 39 HG2 GLU 5 HG3 GLU 5 3.394 0.728 -5.261 40 HG3 GLU 5 HG2 GLU 5 3.059 1.446 -3.686 41 H ASN 6 H ASN 6 4.782 -2.653 -6.018 42 HA ASN 6 HA ASN 6 5.956 -4.594 -6.289 43 HB2 ASN 6 HB3 ASN 6 7.366 -2.995 -4.818 44 HB3 ASN 6 HB2 ASN 6 7.004 -4.128 -3.513 45 HD21 ASN 6 HD21 ASN 6 7.877 -4.418 -6.945 46 HD22 ASN 6 HD22 ASN 6 9.171 -5.534 -6.695 47 H GLY 7 H GLY 7 3.336 -5.117 -5.252 48 HA2 GLY 7 HA3 GLY 7 2.290 -7.106 -4.677 49 HA3 GLY 7 HA2 GLY 7 3.849 -7.771 -4.250 50 H LYS 8 H LYS 8 2.976 -4.745 -2.795 51 HA LYS 8 HA LYS 8 1.961 -6.101 -0.412 52 HB2 LYS 8 HB3 LYS 8 4.396 -4.314 -0.409 53 HB3 LYS 8 HB2 LYS 8 3.564 -4.870 1.036 54 HG2 LYS 8 HG3 LYS 8 4.824 -6.687 -1.006 55 HG3 LYS 8 HG2 LYS 8 5.600 -6.165 0.491 56 HD2 LYS 8 HD3 LYS 8 3.016 -7.713 0.294 57 HD3 LYS 8 HD2 LYS 8 4.590 -8.390 0.717 58 HE2 LYS 8 HE3 LYS 8 4.643 -6.746 2.633 59 HE3 LYS 8 HE2 LYS 8 2.953 -6.398 2.270 60 HZ1 LYS 8 HZ1 LYS 8 2.618 -8.045 3.745 61 HZ2 LYS 8 HZ2 LYS 8 4.138 -8.746 3.502 62 HZ3 LYS 8 HZ3 LYS 8 2.884 -9.049 2.408 63 H TRP 9 H TRP 9 0.540 -4.953 0.763 64 HA TRP 9 HA TRP 9 -0.414 -2.444 -0.316 65 HB2 TRP 9 HB3 TRP 9 -1.354 -4.399 1.742 66 HB3 TRP 9 HB2 TRP 9 -2.002 -2.777 1.781 67 HD1 TRP 9 HD1 TRP 9 -2.553 -6.016 0.300 68 HE1 TRP 9 HE1 TRP 9 -4.279 -5.917 -1.614 69 HE3 TRP 9 HE3 TRP 9 -2.735 -0.961 -0.325 70 HZ2 TRP 9 HZ2 TRP 9 -5.550 -3.934 -3.174 71 HZ3 TRP 9 HZ3 TRP 9 -4.230 -0.038 -2.045 72 HH2 TRP 9 HH2 TRP 9 -5.610 -1.493 -3.437 73 H THR 10 H THR 10 0.125 -0.473 0.419 74 HA THR 10 HA THR 10 1.272 -0.249 3.121 75 HB THR 10 HB THR 10 2.574 1.744 1.911 76 HG1 THR 10 HG1 THR 10 2.903 1.427 -0.165 77 HG21 THR 10 HG21 THR 10 3.262 -0.924 2.652 78 HG22 THR 10 HG22 THR 10 4.265 0.527 2.636 79 HG23 THR 10 HG23 THR 10 4.133 -0.470 1.187 80 H TRP 11 H TRP 11 0.741 1.574 4.296 81 HA TRP 11 HA TRP 11 -1.602 3.011 3.354 82 HB2 TRP 11 HB3 TRP 11 -1.581 2.115 5.645 83 HB3 TRP 11 HB2 TRP 11 -0.176 3.114 6.024 84 HD1 TRP 11 HD1 TRP 11 -0.609 5.602 6.693 85 HE1 TRP 11 HE1 TRP 11 -2.733 7.000 7.088 86 HE3 TRP 11 HE3 TRP 11 -4.077 2.386 4.741 87 HZ2 TRP 11 HZ2 TRP 11 -5.509 6.771 6.634 88 HZ3 TRP 11 HZ3 TRP 11 -6.444 3.054 4.762 89 HH2 TRP 11 HH2 TRP 11 -7.144 5.201 5.689 90 H LYS 12 H LYS 12 -1.055 4.575 1.929 91 HA LYS 12 HA LYS 12 0.043 6.985 2.839 92 HB2 LYS 12 HB3 LYS 12 2.059 5.215 2.411 93 HB3 LYS 12 HB2 LYS 12 1.941 5.960 0.823 94 HG2 LYS 12 HG3 LYS 12 2.135 8.186 1.941 95 HG3 LYS 12 HG2 LYS 12 2.465 7.330 3.449 96 HD2 LYS 12 HD3 LYS 12 4.611 7.583 2.772 97 HD3 LYS 12 HD2 LYS 12 4.249 6.121 1.853 98 HE2 LYS 12 HE3 LYS 12 3.808 7.393 -0.124 99 HE3 LYS 12 HE2 LYS 12 3.907 8.910 0.768 100 HZ1 LYS 12 HZ1 LYS 12 6.068 7.118 -0.091 101 HZ2 LYS 12 HZ2 LYS 12 6.291 8.056 1.298 102 HZ3 LYS 12 HZ3 LYS 12 5.970 8.804 -0.184 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 -4.855 5.694 3.740 2 H2 SER 1 HT2 SER 1 -6.081 6.744 3.157 3 H3 SER 1 HT3 SER 1 -4.488 6.847 2.527 4 HA SER 1 HA SER 1 -6.528 4.791 2.111 5 HB2 SER 1 HB3 SER 1 -4.985 6.784 0.517 6 HB3 SER 1 HB2 SER 1 -5.407 5.264 -0.270 7 HG SER 1 HG SER 1 -6.939 7.280 -0.145 8 H TRP 2 H TRP 2 -5.643 3.139 0.448 9 HA TRP 2 HA TRP 2 -3.151 2.034 1.570 10 HB2 TRP 2 HB3 TRP 2 -5.602 0.736 0.394 11 HB3 TRP 2 HB2 TRP 2 -4.085 -0.137 0.565 12 HD1 TRP 2 HD1 TRP 2 -7.172 0.419 2.413 13 HE1 TRP 2 HE1 TRP 2 -6.863 -0.123 4.914 14 HE3 TRP 2 HE3 TRP 2 -2.088 0.292 2.565 15 HZ2 TRP 2 HZ2 TRP 2 -4.714 -0.538 6.718 16 HZ3 TRP 2 HZ3 TRP 2 -0.973 -0.163 4.694 17 HH2 TRP 2 HH2 TRP 2 -2.254 -0.576 6.738 18 H THR 3 H THR 3 -1.447 1.739 0.296 19 HA THR 3 HA THR 3 -1.799 2.054 -2.611 20 HB THR 3 HB THR 3 -0.547 3.924 -1.785 21 HG1 THR 3 HG1 THR 3 0.484 3.411 -3.573 22 HG21 THR 3 HG21 THR 3 0.925 1.895 -0.183 23 HG22 THR 3 HG22 THR 3 0.300 3.475 0.291 24 HG23 THR 3 HG23 THR 3 1.754 3.363 -0.701 25 H TRP 4 H TRP 4 -1.179 0.386 -3.853 26 HA TRP 4 HA TRP 4 0.146 -1.865 -2.532 27 HB2 TRP 4 HB3 TRP 4 -1.897 -2.508 -3.511 28 HB3 TRP 4 HB2 TRP 4 -1.610 -1.548 -4.953 29 HD1 TRP 4 HD1 TRP 4 -0.072 -2.610 -6.842 30 HE1 TRP 4 HE1 TRP 4 0.557 -5.062 -7.349 31 HE3 TRP 4 HE3 TRP 4 -1.331 -4.695 -2.364 32 HZ2 TRP 4 HZ2 TRP 4 0.514 -7.553 -6.006 33 HZ3 TRP 4 HZ3 TRP 4 -1.006 -7.110 -2.040 34 HH2 TRP 4 HH2 TRP 4 -0.105 -8.512 -3.828 35 H GLU 5 H GLU 5 2.207 -2.380 -3.004 36 HA GLU 5 HA GLU 5 3.352 -1.465 -5.536 37 HB2 GLU 5 HB3 GLU 5 3.758 0.050 -3.373 38 HB3 GLU 5 HB2 GLU 5 5.060 -1.115 -3.134 39 HG2 GLU 5 HG3 GLU 5 6.152 -0.484 -5.078 40 HG3 GLU 5 HG2 GLU 5 4.708 0.254 -5.768 41 H ASN 6 H ASN 6 4.300 -3.082 -6.513 42 HA ASN 6 HA ASN 6 5.215 -5.132 -6.910 43 HB2 ASN 6 HB3 ASN 6 7.042 -3.479 -5.845 44 HB3 ASN 6 HB2 ASN 6 7.114 -4.789 -4.662 45 HD21 ASN 6 HD21 ASN 6 7.218 -4.148 -8.137 46 HD22 ASN 6 HD22 ASN 6 8.311 -5.430 -8.519 47 H GLY 7 H GLY 7 2.981 -5.379 -5.107 48 HA2 GLY 7 HA3 GLY 7 2.155 -7.408 -4.217 49 HA3 GLY 7 HA2 GLY 7 3.798 -7.911 -3.900 50 H LYS 8 H LYS 8 2.886 -4.730 -2.824 51 HA LYS 8 HA LYS 8 2.282 -5.768 -0.159 52 HB2 LYS 8 HB3 LYS 8 4.841 -4.886 -0.841 53 HB3 LYS 8 HB2 LYS 8 4.133 -3.552 0.058 54 HG2 LYS 8 HG3 LYS 8 4.167 -6.392 1.046 55 HG3 LYS 8 HG2 LYS 8 5.410 -5.200 1.431 56 HD2 LYS 8 HD3 LYS 8 3.837 -3.814 2.566 57 HD3 LYS 8 HD2 LYS 8 2.479 -4.781 1.987 58 HE2 LYS 8 HE3 LYS 8 2.780 -5.474 4.200 59 HE3 LYS 8 HE2 LYS 8 3.566 -6.726 3.240 60 HZ1 LYS 8 HZ1 LYS 8 5.670 -5.342 3.620 61 HZ2 LYS 8 HZ2 LYS 8 5.087 -6.272 4.907 62 HZ3 LYS 8 HZ3 LYS 8 4.804 -4.605 4.874 63 H TRP 9 H TRP 9 0.794 -4.659 0.894 64 HA TRP 9 HA TRP 9 -0.253 -2.200 -0.283 65 HB2 TRP 9 HB3 TRP 9 -1.269 -4.248 1.648 66 HB3 TRP 9 HB2 TRP 9 -1.974 -2.648 1.685 67 HD1 TRP 9 HD1 TRP 9 -2.442 -5.855 0.176 68 HE1 TRP 9 HE1 TRP 9 -3.986 -5.752 -1.886 69 HE3 TRP 9 HE3 TRP 9 -2.437 -0.809 -0.556 70 HZ2 TRP 9 HZ2 TRP 9 -5.062 -3.773 -3.590 71 HZ3 TRP 9 HZ3 TRP 9 -3.748 0.113 -2.420 72 HH2 TRP 9 HH2 TRP 9 -5.035 -1.337 -3.903 73 H THR 10 H THR 10 0.176 -0.234 0.558 74 HA THR 10 HA THR 10 1.135 -0.089 3.339 75 HB THR 10 HB THR 10 2.179 1.904 1.407 76 HG1 THR 10 HG1 THR 10 3.081 0.483 0.185 77 HG21 THR 10 HG21 THR 10 4.314 1.292 2.684 78 HG22 THR 10 HG22 THR 10 3.233 0.456 3.799 79 HG23 THR 10 HG23 THR 10 3.056 2.190 3.532 80 H TRP 11 H TRP 11 0.518 1.702 4.536 81 HA TRP 11 HA TRP 11 -1.791 3.131 3.477 82 HB2 TRP 11 HB3 TRP 11 -1.962 2.077 5.699 83 HB3 TRP 11 HB2 TRP 11 -0.636 3.090 6.276 84 HD1 TRP 11 HD1 TRP 11 -1.234 5.480 7.110 85 HE1 TRP 11 HE1 TRP 11 -3.427 6.805 7.344 86 HE3 TRP 11 HE3 TRP 11 -4.342 2.386 4.473 87 HZ2 TRP 11 HZ2 TRP 11 -6.116 6.573 6.522 88 HZ3 TRP 11 HZ3 TRP 11 -6.710 3.013 4.246 89 HH2 TRP 11 HH2 TRP 11 -7.577 5.063 5.250 90 H LYS 12 H LYS 12 -1.232 4.848 2.276 91 HA LYS 12 HA LYS 12 -0.177 7.161 3.467 92 HB2 LYS 12 HB3 LYS 12 1.865 5.485 2.981 93 HB3 LYS 12 HB2 LYS 12 1.766 6.268 1.409 94 HG2 LYS 12 HG3 LYS 12 1.871 7.886 3.923 95 HG3 LYS 12 HG2 LYS 12 3.342 7.248 3.186 96 HD2 LYS 12 HD3 LYS 12 1.511 8.595 1.324 97 HD3 LYS 12 HD2 LYS 12 2.210 9.640 2.562 98 HE2 LYS 12 HE3 LYS 12 3.972 7.763 1.050 99 HE3 LYS 12 HE2 LYS 12 3.448 9.264 0.288 100 HZ1 LYS 12 HZ1 LYS 12 5.631 9.142 1.715 101 HZ2 LYS 12 HZ2 LYS 12 4.555 9.413 2.992 102 HZ3 LYS 12 HZ3 LYS 12 4.656 10.525 1.722 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 -5.912 6.934 3.471 2 H2 SER 1 HT2 SER 1 -4.544 7.031 2.438 3 H3 SER 1 HT3 SER 1 -4.515 6.001 3.810 4 HA SER 1 HA SER 1 -6.521 4.903 2.737 5 HB2 SER 1 HB3 SER 1 -5.444 6.717 0.639 6 HB3 SER 1 HB2 SER 1 -5.914 5.098 0.122 7 HG SER 1 HG SER 1 -7.972 5.498 0.678 8 H TRP 2 H TRP 2 -5.877 3.185 0.891 9 HA TRP 2 HA TRP 2 -3.268 2.111 1.749 10 HB2 TRP 2 HB3 TRP 2 -5.844 0.794 0.923 11 HB3 TRP 2 HB2 TRP 2 -4.319 -0.081 0.888 12 HD1 TRP 2 HD1 TRP 2 -7.111 0.531 3.153 13 HE1 TRP 2 HE1 TRP 2 -6.448 0.007 5.590 14 HE3 TRP 2 HE3 TRP 2 -2.063 0.334 2.566 15 HZ2 TRP 2 HZ2 TRP 2 -4.064 -0.422 7.066 16 HZ3 TRP 2 HZ3 TRP 2 -0.656 -0.117 4.513 17 HH2 TRP 2 HH2 TRP 2 -1.628 -0.494 6.727 18 H THR 3 H THR 3 -1.720 1.786 0.305 19 HA THR 3 HA THR 3 -2.402 1.882 -2.558 20 HB THR 3 HB THR 3 -0.356 3.080 -3.004 21 HG1 THR 3 HG1 THR 3 1.147 3.473 -1.486 22 HG21 THR 3 HG21 THR 3 -0.795 5.178 -2.114 23 HG22 THR 3 HG22 THR 3 -1.436 4.513 -0.612 24 HG23 THR 3 HG23 THR 3 -2.366 4.378 -2.105 25 H TRP 4 H TRP 4 -1.713 0.168 -3.714 26 HA TRP 4 HA TRP 4 -0.167 -1.862 -2.325 27 HB2 TRP 4 HB3 TRP 4 -2.082 -2.704 -3.395 28 HB3 TRP 4 HB2 TRP 4 -1.814 -1.738 -4.836 29 HD1 TRP 4 HD1 TRP 4 0.198 -2.611 -6.487 30 HE1 TRP 4 HE1 TRP 4 0.938 -5.033 -6.992 31 HE3 TRP 4 HE3 TRP 4 -1.796 -4.919 -2.404 32 HZ2 TRP 4 HZ2 TRP 4 0.691 -7.589 -5.797 33 HZ3 TRP 4 HZ3 TRP 4 -1.508 -7.349 -2.148 34 HH2 TRP 4 HH2 TRP 4 -0.288 -8.656 -3.813 35 H GLU 5 H GLU 5 1.941 -2.190 -2.644 36 HA GLU 5 HA GLU 5 3.184 -1.304 -5.138 37 HB2 GLU 5 HB3 GLU 5 3.594 -0.100 -2.495 38 HB3 GLU 5 HB2 GLU 5 5.089 -0.548 -3.318 39 HG2 GLU 5 HG3 GLU 5 2.941 1.088 -4.633 40 HG3 GLU 5 HG2 GLU 5 4.246 1.803 -3.687 41 H ASN 6 H ASN 6 4.941 -2.458 -5.787 42 HA ASN 6 HA ASN 6 6.176 -4.366 -6.026 43 HB2 ASN 6 HB3 ASN 6 7.232 -2.774 -4.104 44 HB3 ASN 6 HB2 ASN 6 7.057 -4.286 -3.208 45 HD21 ASN 6 HD21 ASN 6 7.600 -6.189 -4.997 46 HD22 ASN 6 HD22 ASN 6 9.208 -6.030 -5.606 47 H GLY 7 H GLY 7 3.481 -4.966 -5.277 48 HA2 GLY 7 HA3 GLY 7 2.382 -6.956 -4.856 49 HA3 GLY 7 HA2 GLY 7 3.911 -7.664 -4.385 50 H LYS 8 H LYS 8 2.986 -4.724 -2.802 51 HA LYS 8 HA LYS 8 1.814 -6.188 -0.561 52 HB2 LYS 8 HB3 LYS 8 4.491 -4.952 -0.579 53 HB3 LYS 8 HB2 LYS 8 3.496 -4.559 0.817 54 HG2 LYS 8 HG3 LYS 8 4.040 -7.368 -0.111 55 HG3 LYS 8 HG2 LYS 8 4.991 -6.529 1.116 56 HD2 LYS 8 HD3 LYS 8 2.010 -6.908 1.311 57 HD3 LYS 8 HD2 LYS 8 3.176 -8.047 1.989 58 HE2 LYS 8 HE3 LYS 8 3.620 -5.229 2.698 59 HE3 LYS 8 HE2 LYS 8 2.130 -5.930 3.327 60 HZ1 LYS 8 HZ1 LYS 8 4.893 -6.529 4.004 61 HZ2 LYS 8 HZ2 LYS 8 3.851 -7.859 3.917 62 HZ3 LYS 8 HZ3 LYS 8 3.504 -6.581 4.970 63 H TRP 9 H TRP 9 0.470 -5.007 0.739 64 HA TRP 9 HA TRP 9 -0.468 -2.489 -0.335 65 HB2 TRP 9 HB3 TRP 9 -1.412 -4.435 1.726 66 HB3 TRP 9 HB2 TRP 9 -2.034 -2.804 1.785 67 HD1 TRP 9 HD1 TRP 9 -2.593 -6.024 0.234 68 HE1 TRP 9 HE1 TRP 9 -4.363 -5.886 -1.637 69 HE3 TRP 9 HE3 TRP 9 -2.849 -0.955 -0.221 70 HZ2 TRP 9 HZ2 TRP 9 -5.690 -3.869 -3.104 71 HZ3 TRP 9 HZ3 TRP 9 -4.392 0.004 -1.877 72 HH2 TRP 9 HH2 TRP 9 -5.785 -1.422 -3.285 73 H THR 10 H THR 10 0.099 -0.525 0.385 74 HA THR 10 HA THR 10 1.281 -0.303 3.074 75 HB THR 10 HB THR 10 2.589 1.672 1.846 76 HG1 THR 10 HG1 THR 10 2.318 -0.283 -0.186 77 HG21 THR 10 HG21 THR 10 4.357 -0.159 1.197 78 HG22 THR 10 HG22 THR 10 3.284 -1.197 2.137 79 HG23 THR 10 HG23 THR 10 4.008 0.229 2.882 80 H TRP 11 H TRP 11 0.875 1.610 4.204 81 HA TRP 11 HA TRP 11 -1.496 3.044 3.296 82 HB2 TRP 11 HB3 TRP 11 -1.481 2.157 5.586 83 HB3 TRP 11 HB2 TRP 11 -0.048 3.118 5.955 84 HD1 TRP 11 HD1 TRP 11 -0.403 5.642 6.571 85 HE1 TRP 11 HE1 TRP 11 -2.488 7.084 7.009 86 HE3 TRP 11 HE3 TRP 11 -3.988 2.457 4.786 87 HZ2 TRP 11 HZ2 TRP 11 -5.280 6.898 6.648 88 HZ3 TRP 11 HZ3 TRP 11 -6.340 3.167 4.871 89 HH2 TRP 11 HH2 TRP 11 -6.972 5.342 5.783 90 H LYS 12 H LYS 12 -0.934 4.596 1.863 91 HA LYS 12 HA LYS 12 0.297 6.962 2.797 92 HB2 LYS 12 HB3 LYS 12 2.215 5.197 2.234 93 HB3 LYS 12 HB2 LYS 12 1.943 5.800 0.605 94 HG2 LYS 12 HG3 LYS 12 2.341 8.095 1.424 95 HG3 LYS 12 HG2 LYS 12 2.709 7.431 3.017 96 HD2 LYS 12 HD3 LYS 12 4.755 6.736 2.388 97 HD3 LYS 12 HD2 LYS 12 4.189 6.191 0.807 98 HE2 LYS 12 HE3 LYS 12 3.967 8.875 0.532 99 HE3 LYS 12 HE2 LYS 12 5.347 8.771 1.625 100 HZ1 LYS 12 HZ1 LYS 12 5.994 8.770 -0.726 101 HZ2 LYS 12 HZ2 LYS 12 5.129 7.337 -0.967 102 HZ3 LYS 12 HZ3 LYS 12 6.471 7.351 0.062 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 -4.554 6.834 2.448 2 H2 SER 1 HT2 SER 1 -4.776 5.726 3.739 3 H3 SER 1 HT3 SER 1 -6.080 6.713 3.219 4 HA SER 1 HA SER 1 -6.561 4.712 2.294 5 HB2 SER 1 HB3 SER 1 -6.433 5.145 -0.031 6 HB3 SER 1 HB2 SER 1 -6.371 6.739 0.721 7 HG SER 1 HG SER 1 -4.535 6.996 -0.241 8 H TRP 2 H TRP 2 -5.708 3.061 0.545 9 HA TRP 2 HA TRP 2 -3.172 1.996 1.607 10 HB2 TRP 2 HB3 TRP 2 -5.630 0.658 0.489 11 HB3 TRP 2 HB2 TRP 2 -4.096 -0.192 0.634 12 HD1 TRP 2 HD1 TRP 2 -7.155 0.331 2.539 13 HE1 TRP 2 HE1 TRP 2 -6.790 -0.192 5.037 14 HE3 TRP 2 HE3 TRP 2 -2.068 0.275 2.593 15 HZ2 TRP 2 HZ2 TRP 2 -4.602 -0.567 6.801 16 HZ3 TRP 2 HZ3 TRP 2 -0.906 -0.153 4.702 17 HH2 TRP 2 HH2 TRP 2 -2.142 -0.572 6.773 18 H THR 3 H THR 3 -1.507 1.631 0.284 19 HA THR 3 HA THR 3 -1.933 1.948 -2.614 20 HB THR 3 HB THR 3 0.434 2.803 -2.676 21 HG1 THR 3 HG1 THR 3 0.096 3.031 0.127 22 HG21 THR 3 HG21 THR 3 -1.615 4.350 -1.126 23 HG22 THR 3 HG22 THR 3 -1.197 4.487 -2.834 24 HG23 THR 3 HG23 THR 3 -0.058 5.028 -1.601 25 H TRP 4 H TRP 4 -1.301 0.277 -3.849 26 HA TRP 4 HA TRP 4 0.072 -1.939 -2.529 27 HB2 TRP 4 HB3 TRP 4 -1.934 -2.619 -3.556 28 HB3 TRP 4 HB2 TRP 4 -1.640 -1.640 -4.984 29 HD1 TRP 4 HD1 TRP 4 -0.020 -2.645 -6.841 30 HE1 TRP 4 HE1 TRP 4 0.669 -5.078 -7.361 31 HE3 TRP 4 HE3 TRP 4 -1.372 -4.814 -2.428 32 HZ2 TRP 4 HZ2 TRP 4 0.634 -7.587 -6.052 33 HZ3 TRP 4 HZ3 TRP 4 -1.010 -7.226 -2.127 34 HH2 TRP 4 HH2 TRP 4 -0.030 -8.586 -3.906 35 H GLU 5 H GLU 5 2.154 -2.416 -2.964 36 HA GLU 5 HA GLU 5 3.333 -1.453 -5.463 37 HB2 GLU 5 HB3 GLU 5 4.408 -0.860 -2.707 38 HB3 GLU 5 HB2 GLU 5 5.336 -0.644 -4.191 39 HG2 GLU 5 HG3 GLU 5 3.017 0.719 -4.724 40 HG3 GLU 5 HG2 GLU 5 3.269 1.030 -3.007 41 H ASN 6 H ASN 6 4.334 -3.035 -6.439 42 HA ASN 6 HA ASN 6 5.299 -5.059 -6.847 43 HB2 ASN 6 HB3 ASN 6 6.984 -3.811 -4.701 44 HB3 ASN 6 HB2 ASN 6 7.419 -5.374 -5.399 45 HD21 ASN 6 HD21 ASN 6 7.356 -5.370 -7.865 46 HD22 ASN 6 HD22 ASN 6 8.097 -4.013 -8.636 47 H GLY 7 H GLY 7 3.035 -5.379 -5.091 48 HA2 GLY 7 HA3 GLY 7 2.231 -7.437 -4.249 49 HA3 GLY 7 HA2 GLY 7 3.877 -7.916 -3.915 50 H LYS 8 H LYS 8 2.892 -4.773 -2.795 51 HA LYS 8 HA LYS 8 2.219 -5.855 -0.170 52 HB2 LYS 8 HB3 LYS 8 4.763 -4.568 -0.838 53 HB3 LYS 8 HB2 LYS 8 3.959 -3.860 0.556 54 HG2 LYS 8 HG3 LYS 8 4.092 -6.804 0.497 55 HG3 LYS 8 HG2 LYS 8 5.624 -5.953 0.704 56 HD2 LYS 8 HD3 LYS 8 5.014 -6.064 2.889 57 HD3 LYS 8 HD2 LYS 8 4.150 -4.586 2.461 58 HE2 LYS 8 HE3 LYS 8 2.101 -5.624 2.453 59 HE3 LYS 8 HE2 LYS 8 2.786 -7.207 2.084 60 HZ1 LYS 8 HZ1 LYS 8 3.241 -7.622 4.259 61 HZ2 LYS 8 HZ2 LYS 8 1.891 -6.624 4.466 62 HZ3 LYS 8 HZ3 LYS 8 3.447 -5.991 4.663 63 H TRP 9 H TRP 9 0.701 -4.746 0.836 64 HA TRP 9 HA TRP 9 -0.271 -2.258 -0.323 65 HB2 TRP 9 HB3 TRP 9 -1.324 -4.281 1.613 66 HB3 TRP 9 HB2 TRP 9 -1.999 -2.669 1.651 67 HD1 TRP 9 HD1 TRP 9 -2.500 -5.868 0.123 68 HE1 TRP 9 HE1 TRP 9 -4.055 -5.736 -1.929 69 HE3 TRP 9 HE3 TRP 9 -2.466 -0.817 -0.560 70 HZ2 TRP 9 HZ2 TRP 9 -5.126 -3.733 -3.608 71 HZ3 TRP 9 HZ3 TRP 9 -3.781 0.133 -2.408 72 HH2 TRP 9 HH2 TRP 9 -5.085 -1.294 -3.898 73 H THR 10 H THR 10 0.188 -0.296 0.503 74 HA THR 10 HA THR 10 1.142 -0.142 3.285 75 HB THR 10 HB THR 10 2.216 1.744 1.231 76 HG1 THR 10 HG1 THR 10 3.089 -0.920 1.630 77 HG21 THR 10 HG21 THR 10 3.006 2.317 3.321 78 HG22 THR 10 HG22 THR 10 4.302 1.308 2.678 79 HG23 THR 10 HG23 THR 10 3.155 0.638 3.839 80 H TRP 11 H TRP 11 0.485 1.612 4.483 81 HA TRP 11 HA TRP 11 -1.792 3.066 3.424 82 HB2 TRP 11 HB3 TRP 11 -1.905 2.086 5.686 83 HB3 TRP 11 HB2 TRP 11 -0.562 3.113 6.191 84 HD1 TRP 11 HD1 TRP 11 -1.123 5.550 6.926 85 HE1 TRP 11 HE1 TRP 11 -3.308 6.884 7.186 86 HE3 TRP 11 HE3 TRP 11 -4.327 2.337 4.560 87 HZ2 TRP 11 HZ2 TRP 11 -6.027 6.612 6.484 88 HZ3 TRP 11 HZ3 TRP 11 -6.703 2.952 4.400 89 HH2 TRP 11 HH2 TRP 11 -7.535 5.045 5.342 90 H LYS 12 H LYS 12 -1.162 4.680 2.093 91 HA LYS 12 HA LYS 12 -0.146 7.066 3.160 92 HB2 LYS 12 HB3 LYS 12 1.905 5.334 2.834 93 HB3 LYS 12 HB2 LYS 12 1.883 6.084 1.243 94 HG2 LYS 12 HG3 LYS 12 1.708 8.000 3.438 95 HG3 LYS 12 HG2 LYS 12 3.193 7.046 3.437 96 HD2 LYS 12 HD3 LYS 12 2.235 8.277 0.890 97 HD3 LYS 12 HD2 LYS 12 3.055 9.283 2.086 98 HE2 LYS 12 HE3 LYS 12 4.766 7.245 2.036 99 HE3 LYS 12 HE2 LYS 12 4.107 7.073 0.410 100 HZ1 LYS 12 HZ1 LYS 12 4.579 9.635 0.353 101 HZ2 LYS 12 HZ2 LYS 12 5.805 8.518 0.021 102 HZ3 LYS 12 HZ3 LYS 12 5.713 9.242 1.546
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