NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3022 | 1d1f | 5216 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 24 1HA ACE 24 1.399 -0.316 -2.481 2 2H ACE 24 2HA ACE 24 -0.061 0.440 -1.840 3 3H ACE 24 3HA ACE 24 1.113 -0.276 -0.739 4 H ALA 24 H ALA 24 2.424 1.220 0.224 5 HA ALA 24 HA ALA 24 2.551 3.951 -0.890 6 1HB ALA 24 1HB ALA 24 2.304 3.595 1.585 7 2HB ALA 24 2HB ALA 24 3.795 4.452 1.201 8 3HB ALA 24 3HB ALA 24 3.850 2.748 1.591 9 H ARG 25 H ARG 25 3.581 2.416 -2.700 10 HA ARG 25 HA ARG 25 5.986 1.397 -3.057 11 1HB ARG 25 2HB ARG 25 6.157 2.582 -5.259 12 2HB ARG 25 1HB ARG 25 4.610 1.883 -4.921 13 1HG ARG 25 2HG ARG 25 3.798 3.878 -5.693 14 2HG ARG 25 1HG ARG 25 4.068 4.409 -4.052 15 1HD ARG 25 2HD ARG 25 6.179 5.508 -4.673 16 2HD ARG 25 1HD ARG 25 6.223 4.644 -6.185 17 HE ARG 25 HE ARG 25 4.080 6.648 -5.513 18 1HH1 ARG 25 1HH2 ARG 25 6.439 5.451 -7.743 19 2HH1 ARG 25 2HH2 ARG 25 6.024 6.540 -8.994 20 1HH2 ARG 25 2HH1 ARG 25 3.490 8.070 -7.088 21 2HH2 ARG 25 1HH1 ARG 25 4.266 8.085 -8.613 22 H HIS 26 H HIS 26 5.901 4.944 -2.672 23 HA HIS 26 HA HIS 26 8.645 5.391 -3.024 24 1HB HIS 26 2HB HIS 26 6.686 6.807 -1.161 25 2HB HIS 26 1HB HIS 26 8.305 7.417 -1.464 26 HD1 HIS 26 HD1 HIS 26 8.753 7.405 -4.277 27 HD2 HIS 26 HD2 HIS 26 4.920 7.981 -2.780 28 HE1 HIS 26 HE1 HIS 26 7.360 8.520 -6.024 29 H TYR 27 H TYR 27 7.103 4.098 -0.437 30 HA TYR 27 HA TYR 27 9.350 4.219 1.423 31 1HB TYR 27 2HB TYR 27 6.436 3.721 1.613 32 2HB TYR 27 1HB TYR 27 7.316 2.496 2.503 33 HD1 TYR 27 HD1 TYR 27 7.933 6.157 1.916 34 HD2 TYR 27 HD2 TYR 27 7.315 3.047 4.761 35 HE1 TYR 27 HE1 TYR 27 8.290 7.746 3.733 36 HE2 TYR 27 HE2 TYR 27 7.672 4.640 6.576 37 HH TYR 27 HH TYR 27 7.611 7.034 6.992 38 H LYS 28 H LYS 28 8.798 2.344 -0.977 39 HA LYS 28 HA LYS 28 9.445 -0.289 0.115 40 1HB LYS 28 2HB LYS 28 8.727 0.625 -2.464 41 2HB LYS 28 1HB LYS 28 10.420 0.274 -2.674 42 1HG LYS 28 2HG LYS 28 9.835 -2.024 -1.504 43 2HG LYS 28 1HG LYS 28 8.178 -1.572 -1.792 44 1HD LYS 28 2HD LYS 28 8.978 -3.008 -3.586 45 2HD LYS 28 1HD LYS 28 8.570 -1.431 -4.224 46 1HE LYS 28 2HE LYS 28 10.828 -2.476 -4.958 47 2HE LYS 28 1HE LYS 28 10.925 -0.802 -4.409 48 1HZ LYS 28 HZ LYS 28 11.497 -3.196 -2.676 49 H ASN 29 H ASN 29 11.097 2.365 -1.314 50 HA ASN 29 HA ASN 29 13.766 1.824 -1.455 51 1HB ASN 29 2HB ASN 29 12.426 4.318 -0.334 52 2HB ASN 29 1HB ASN 29 14.164 4.215 -0.523 53 1HD2 ASN 29 1HD2 ASN 29 11.331 5.098 -2.169 54 2HD2 ASN 29 2HD2 ASN 29 12.011 5.066 -3.735 55 H LEU 30 H LEU 30 12.318 3.016 1.516 56 HA LEU 30 HA LEU 30 14.485 2.765 3.262 57 1HB LEU 30 2HB LEU 30 11.555 2.225 3.931 58 2HB LEU 30 1HB LEU 30 12.798 2.689 5.072 59 HG LEU 30 HG LEU 30 11.807 4.405 2.722 60 1HD1 LEU 30 1HD1 LEU 30 11.379 4.689 5.719 61 2HD1 LEU 30 2HD1 LEU 30 10.182 4.177 4.551 62 3HD1 LEU 30 3HD1 LEU 30 10.820 5.802 4.485 63 1HD2 LEU 30 1HD2 LEU 30 14.205 4.875 3.260 64 2HD2 LEU 30 2HD2 LEU 30 13.781 5.086 4.955 65 3HD2 LEU 30 3HD2 LEU 30 13.180 6.206 3.743 66 H ILE 31 H ILE 31 11.932 0.374 2.898 67 HA ILE 31 HA ILE 31 13.255 -1.630 4.459 68 HB ILE 31 HB ILE 31 11.144 -1.989 2.260 69 1HG1 ILE 31 2HG1 ILE 31 10.303 -0.328 3.909 70 2HG1 ILE 31 1HG1 ILE 31 9.415 -1.819 4.051 71 1HG2 ILE 31 1HG2 ILE 31 10.477 -4.023 3.546 72 2HG2 ILE 31 2HG2 ILE 31 11.800 -3.751 4.674 73 3HG2 ILE 31 3HG2 ILE 31 12.137 -4.137 3.000 74 1HD1 ILE 31 1HD1 ILE 31 10.777 -2.463 6.048 75 2HD1 ILE 31 2HD1 ILE 31 9.978 -0.925 6.285 76 3HD1 ILE 31 3HD1 ILE 31 11.695 -0.976 5.915 77 H GLU 32 H GLU 32 13.588 -0.545 1.311 78 HA GLU 32 HA GLU 32 15.112 -2.929 0.406 79 1HB GLU 32 2HB GLU 32 14.337 -0.341 -1.003 80 2HB GLU 32 1HB GLU 32 15.278 -1.606 -1.767 81 1HG GLU 32 2HG GLU 32 13.513 -3.171 -1.670 82 2HG GLU 32 1HG GLU 32 12.615 -2.249 -0.476 83 H ARG 33 H ARG 33 15.857 -0.511 2.256 84 HA ARG 33 HA ARG 33 18.548 -0.061 1.027 85 1HB ARG 33 2HB ARG 33 17.499 2.026 1.801 86 2HB ARG 33 1HB ARG 33 17.130 1.325 3.372 87 1HG ARG 33 2HG ARG 33 19.545 1.132 3.889 88 2HG ARG 33 1HG ARG 33 19.980 1.658 2.284 89 1HD ARG 33 2HD ARG 33 18.424 3.370 4.270 90 2HD ARG 33 1HD ARG 33 20.162 3.401 4.123 91 HE ARG 33 HE ARG 33 19.919 4.070 1.755 92 1HH1 ARG 33 1HH2 ARG 33 17.222 4.604 3.858 93 2HH1 ARG 33 2HH2 ARG 33 16.554 5.884 2.944 94 1HH2 ARG 33 2HH1 ARG 33 19.087 5.727 0.496 95 2HH2 ARG 33 1HH1 ARG 33 17.665 6.543 0.963 96 H GLN 34 H GLN 34 16.908 -1.102 3.867 97 HA GLN 34 HA GLN 34 18.714 -1.854 5.733 98 1HB GLN 34 2HB GLN 34 16.604 -3.804 4.650 99 2HB GLN 34 1HB GLN 34 17.368 -3.879 6.232 100 1HG GLN 34 2HG GLN 34 16.420 -1.495 6.651 101 2HG GLN 34 1HG GLN 34 15.541 -1.661 5.145 102 1HE2 GLN 34 1HE2 GLN 34 15.901 -4.434 7.393 103 2HE2 GLN 34 2HE2 GLN 34 14.250 -4.424 7.792 104 H ARG 35 H ARG 35 18.134 -4.310 3.170 105 HA ARG 35 HA ARG 35 20.804 -5.395 3.784 106 1HB ARG 35 2HB ARG 35 18.617 -6.807 3.428 107 2HB ARG 35 1HB ARG 35 18.885 -6.528 1.715 108 1HG ARG 35 2HG ARG 35 21.152 -7.572 1.878 109 2HG ARG 35 1HG ARG 35 20.939 -7.785 3.604 110 1HD ARG 35 2HD ARG 35 18.943 -9.240 3.155 111 2HD ARG 35 1HD ARG 35 19.230 -9.139 1.442 112 HE ARG 35 HE ARG 35 21.018 -10.398 3.492 113 1HH1 ARG 35 1HH2 ARG 35 20.174 -9.949 0.171 114 2HH1 ARG 35 2HH2 ARG 35 21.118 -11.251 -0.417 115 1HH2 ARG 35 2HH1 ARG 35 22.332 -12.077 2.781 116 2HH2 ARG 35 1HH1 ARG 35 22.417 -12.466 1.119 117 H TYR 36 H TYR 36 19.626 -3.120 1.757 118 HA TYR 36 HA TYR 36 21.868 -3.352 -0.140 119 1HB TYR 36 2HB TYR 36 18.933 -3.264 -0.715 120 2HB TYR 36 1HB TYR 36 19.858 -2.122 -1.657 121 HD1 TYR 36 HD1 TYR 36 22.099 -3.098 -2.683 122 HD2 TYR 36 HD2 TYR 36 18.726 -5.476 -1.632 123 HE1 TYR 36 HE1 TYR 36 22.841 -4.833 -4.231 124 HE2 TYR 36 HE2 TYR 36 19.477 -7.212 -3.190 125 HH TYR 36 HH TYR 36 21.741 -6.744 -5.561 126 1HT TYR 36 1HT TYR 36 22.701 -1.778 1.630 127 2HT TYR 36 2HT TYR 36 22.298 -0.139 1.418 Start of MODEL 2 1 1H ACE 24 1HA ACE 24 2.130 5.398 -4.693 2 2H ACE 24 2HA ACE 24 1.639 6.428 -3.349 3 3H ACE 24 3HA ACE 24 0.795 4.912 -3.648 4 H ALA 24 H ALA 24 1.365 3.371 -2.283 5 HA ALA 24 HA ALA 24 3.050 3.233 -0.214 6 1HB ALA 24 1HB ALA 24 1.592 1.321 -0.879 7 2HB ALA 24 2HB ALA 24 3.215 0.761 -0.527 8 3HB ALA 24 3HB ALA 24 2.691 0.924 -2.192 9 H ARG 25 H ARG 25 4.105 2.242 -3.337 10 HA ARG 25 HA ARG 25 6.632 1.427 -3.251 11 1HB ARG 25 2HB ARG 25 7.167 2.904 -5.282 12 2HB ARG 25 1HB ARG 25 5.761 1.879 -5.404 13 1HG ARG 25 2HG ARG 25 4.263 3.779 -4.848 14 2HG ARG 25 1HG ARG 25 5.637 4.844 -4.643 15 1HD ARG 25 2HD ARG 25 5.066 3.380 -7.267 16 2HD ARG 25 1HD ARG 25 4.444 4.975 -6.865 17 HE ARG 25 HE ARG 25 7.374 4.405 -6.680 18 1HH1 ARG 25 1HH2 ARG 25 4.772 6.176 -8.144 19 2HH1 ARG 25 2HH2 ARG 25 5.777 7.326 -8.900 20 1HH2 ARG 25 2HH1 ARG 25 8.740 5.903 -7.674 21 2HH2 ARG 25 1HH1 ARG 25 8.081 7.155 -8.627 22 H HIS 26 H HIS 26 5.952 4.822 -2.558 23 HA HIS 26 HA HIS 26 8.696 5.654 -2.394 24 1HB HIS 26 2HB HIS 26 6.265 6.809 -0.920 25 2HB HIS 26 1HB HIS 26 7.799 7.637 -1.170 26 HD1 HIS 26 HD1 HIS 26 4.696 6.675 -2.942 27 HD2 HIS 26 HD2 HIS 26 8.401 8.360 -3.799 28 HE1 HIS 26 HE1 HIS 26 4.628 7.684 -5.238 29 H TYR 27 H TYR 27 7.184 3.523 -0.522 30 HA TYR 27 HA TYR 27 8.958 3.921 1.841 31 1HB TYR 27 2HB TYR 27 6.084 3.211 1.570 32 2HB TYR 27 1HB TYR 27 6.975 2.083 2.580 33 HD1 TYR 27 HD1 TYR 27 7.036 5.824 2.052 34 HD2 TYR 27 HD2 TYR 27 6.854 2.600 4.830 35 HE1 TYR 27 HE1 TYR 27 7.002 7.419 3.917 36 HE2 TYR 27 HE2 TYR 27 6.821 4.192 6.679 37 HH TYR 27 HH TYR 27 6.244 6.554 7.095 38 H LYS 28 H LYS 28 9.167 2.567 -0.837 39 HA LYS 28 HA LYS 28 9.579 -0.278 -0.134 40 1HB LYS 28 2HB LYS 28 8.788 0.316 -2.435 41 2HB LYS 28 1HB LYS 28 10.229 1.268 -2.711 42 1HG LYS 28 2HG LYS 28 11.451 -1.045 -2.057 43 2HG LYS 28 1HG LYS 28 9.917 -1.744 -2.520 44 1HD LYS 28 2HD LYS 28 10.053 -0.660 -4.715 45 2HD LYS 28 1HD LYS 28 11.557 0.127 -4.274 46 1HE LYS 28 2HE LYS 28 11.068 -2.862 -4.721 47 2HE LYS 28 1HE LYS 28 12.265 -1.829 -5.504 48 1HZ LYS 28 HZ LYS 28 12.355 -2.615 -2.624 49 H ASN 29 H ASN 29 11.618 2.166 -1.618 50 HA ASN 29 HA ASN 29 14.172 1.286 -1.269 51 1HB ASN 29 2HB ASN 29 13.576 3.589 -2.119 52 2HB ASN 29 1HB ASN 29 13.338 4.121 -0.464 53 1HD2 ASN 29 1HD2 ASN 29 15.719 3.702 -2.907 54 2HD2 ASN 29 2HD2 ASN 29 17.079 3.885 -1.915 55 H LEU 30 H LEU 30 12.536 3.090 1.232 56 HA LEU 30 HA LEU 30 14.198 3.055 3.370 57 1HB LEU 30 2HB LEU 30 11.261 2.251 3.502 58 2HB LEU 30 1HB LEU 30 12.200 2.806 4.864 59 HG LEU 30 HG LEU 30 11.432 4.469 2.403 60 1HD1 LEU 30 1HD1 LEU 30 9.621 4.055 4.073 61 2HD1 LEU 30 2HD1 LEU 30 10.119 5.733 4.079 62 3HD1 LEU 30 3HD1 LEU 30 10.666 4.651 5.349 63 1HD2 LEU 30 1HD2 LEU 30 13.706 5.160 3.253 64 2HD2 LEU 30 2HD2 LEU 30 13.045 5.291 4.872 65 3HD2 LEU 30 3HD2 LEU 30 12.497 6.371 3.603 66 H ILE 31 H ILE 31 12.210 0.345 2.462 67 HA ILE 31 HA ILE 31 13.555 -1.396 4.437 68 HB ILE 31 HB ILE 31 11.185 -2.050 2.603 69 1HG1 ILE 31 2HG1 ILE 31 11.155 -0.976 5.477 70 2HG1 ILE 31 1HG1 ILE 31 10.662 -0.075 4.058 71 1HG2 ILE 31 1HG2 ILE 31 10.765 -3.869 4.284 72 2HG2 ILE 31 2HG2 ILE 31 12.159 -3.338 5.215 73 3HG2 ILE 31 3HG2 ILE 31 12.365 -4.028 3.620 74 1HD1 ILE 31 1HD1 ILE 31 9.289 -2.599 5.045 75 2HD1 ILE 31 2HD1 ILE 31 8.859 -1.701 3.598 76 3HD1 ILE 31 3HD1 ILE 31 8.687 -0.961 5.173 77 H GLU 32 H GLU 32 13.573 -0.687 1.172 78 HA GLU 32 HA GLU 32 14.896 -3.265 0.417 79 1HB GLU 32 2HB GLU 32 13.095 -2.213 -1.042 80 2HB GLU 32 1HB GLU 32 14.150 -0.859 -1.329 81 1HG GLU 32 2HG GLU 32 15.823 -2.379 -2.482 82 2HG GLU 32 1HG GLU 32 14.725 -3.733 -2.224 83 H ARG 33 H ARG 33 15.750 -0.779 1.977 84 HA ARG 33 HA ARG 33 18.350 -0.148 0.699 85 1HB ARG 33 2HB ARG 33 17.083 1.766 1.303 86 2HB ARG 33 1HB ARG 33 16.633 1.135 2.866 87 1HG ARG 33 2HG ARG 33 19.076 1.350 3.586 88 2HG ARG 33 1HG ARG 33 19.428 2.047 2.010 89 1HD ARG 33 2HD ARG 33 17.377 3.122 3.999 90 2HD ARG 33 1HD ARG 33 18.962 3.808 3.810 91 HE ARG 33 HE ARG 33 16.773 3.734 1.728 92 1HH1 ARG 33 1HH2 ARG 33 19.788 5.019 2.813 93 2HH1 ARG 33 2HH2 ARG 33 19.824 6.299 1.677 94 1HH2 ARG 33 2HH1 ARG 33 16.764 5.283 0.248 95 2HH2 ARG 33 1HH1 ARG 33 18.033 6.446 0.116 96 H GLN 34 H GLN 34 17.200 -0.599 3.917 97 HA GLN 34 HA GLN 34 19.355 -1.255 5.410 98 1HB GLN 34 2HB GLN 34 17.862 -2.753 6.755 99 2HB GLN 34 1HB GLN 34 17.106 -1.233 6.334 100 1HG GLN 34 2HG GLN 34 15.983 -2.414 4.360 101 2HG GLN 34 1HG GLN 34 16.579 -3.936 5.006 102 1HE2 GLN 34 1HE2 GLN 34 15.184 -4.918 6.493 103 2HE2 GLN 34 2HE2 GLN 34 13.986 -4.080 7.358 104 H ARG 35 H ARG 35 18.039 -3.473 3.083 105 HA ARG 35 HA ARG 35 19.878 -5.631 3.867 106 1HB ARG 35 2HB ARG 35 17.455 -6.050 3.313 107 2HB ARG 35 1HB ARG 35 17.742 -5.459 1.690 108 1HG ARG 35 2HG ARG 35 19.347 -7.380 1.308 109 2HG ARG 35 1HG ARG 35 18.964 -7.981 2.906 110 1HD ARG 35 2HD ARG 35 16.617 -8.346 2.232 111 2HD ARG 35 1HD ARG 35 16.870 -7.455 0.753 112 HE ARG 35 HE ARG 35 18.414 -9.136 -0.044 113 1HH1 ARG 35 1HH2 ARG 35 16.438 -10.098 2.633 114 2HH1 ARG 35 2HH2 ARG 35 16.560 -11.775 2.318 115 1HH2 ARG 35 2HH1 ARG 35 18.638 -11.296 -0.478 116 2HH2 ARG 35 1HH1 ARG 35 17.872 -12.480 0.492 117 H TYR 36 H TYR 36 20.742 -3.033 2.564 118 HA TYR 36 HA TYR 36 22.251 -4.171 0.280 119 1HB TYR 36 2HB TYR 36 20.447 -2.065 0.175 120 2HB TYR 36 1HB TYR 36 21.932 -1.193 0.479 121 HD1 TYR 36 HD1 TYR 36 20.326 -3.680 -1.750 122 HD2 TYR 36 HD2 TYR 36 23.530 -0.907 -1.319 123 HE1 TYR 36 HE1 TYR 36 20.879 -3.957 -4.113 124 HE2 TYR 36 HE2 TYR 36 24.076 -1.181 -3.688 125 HH TYR 36 HH TYR 36 23.757 -2.712 -5.530 126 1HT TYR 36 1HT TYR 36 23.173 -4.542 2.843 127 2HT TYR 36 2HT TYR 36 24.533 -3.555 3.124 Start of MODEL 3 1 1H ACE 24 1HA ACE 24 0.930 4.122 -2.139 2 2H ACE 24 2HA ACE 24 0.257 3.992 -0.517 3 3H ACE 24 3HA ACE 24 0.255 2.587 -1.586 4 H ALA 24 H ALA 24 1.822 1.142 -1.024 5 HA ALA 24 HA ALA 24 4.128 2.056 0.594 6 1HB ALA 24 1HB ALA 24 3.339 -0.743 -0.334 7 2HB ALA 24 2HB ALA 24 2.924 -0.031 1.225 8 3HB ALA 24 3HB ALA 24 4.605 -0.362 0.820 9 H ARG 25 H ARG 25 4.268 3.162 -1.811 10 HA ARG 25 HA ARG 25 6.236 1.556 -3.409 11 1HB ARG 25 2HB ARG 25 4.382 2.535 -4.734 12 2HB ARG 25 1HB ARG 25 4.712 4.134 -4.092 13 1HG ARG 25 2HG ARG 25 6.904 4.216 -5.195 14 2HG ARG 25 1HG ARG 25 6.785 2.541 -5.677 15 1HD ARG 25 2HD ARG 25 4.696 4.523 -6.596 16 2HD ARG 25 1HD ARG 25 6.223 4.473 -7.414 17 HE ARG 25 HE ARG 25 4.305 2.175 -7.106 18 1HH1 ARG 25 1HH2 ARG 25 6.949 3.646 -8.770 19 2HH1 ARG 25 2HH2 ARG 25 6.900 2.597 -10.121 20 1HH2 ARG 25 2HH1 ARG 25 4.258 0.683 -8.796 21 2HH2 ARG 25 1HH1 ARG 25 5.362 0.811 -10.096 22 H HIS 26 H HIS 26 5.852 4.923 -2.303 23 HA HIS 26 HA HIS 26 8.713 5.451 -2.483 24 1HB HIS 26 2HB HIS 26 6.488 6.977 -0.996 25 2HB HIS 26 1HB HIS 26 8.087 7.606 -1.351 26 HD1 HIS 26 HD1 HIS 26 5.620 9.017 -2.507 27 HD2 HIS 26 HD2 HIS 26 7.775 6.075 -4.506 28 HE1 HIS 26 HE1 HIS 26 5.248 9.254 -4.967 29 H TYR 27 H TYR 27 7.585 3.279 -0.683 30 HA TYR 27 HA TYR 27 9.317 3.866 1.636 31 1HB TYR 27 2HB TYR 27 6.464 2.941 1.519 32 2HB TYR 27 1HB TYR 27 7.473 1.930 2.539 33 HD1 TYR 27 HD1 TYR 27 7.256 5.649 1.902 34 HD2 TYR 27 HD2 TYR 27 7.305 2.508 4.784 35 HE1 TYR 27 HE1 TYR 27 7.121 7.292 3.713 36 HE2 TYR 27 HE2 TYR 27 7.168 4.159 6.581 37 HH TYR 27 HH TYR 27 7.762 6.559 6.899 38 H LYS 28 H LYS 28 9.122 2.326 -1.037 39 HA LYS 28 HA LYS 28 9.814 -0.421 -0.333 40 1HB LYS 28 2HB LYS 28 9.019 0.176 -2.647 41 2HB LYS 28 1HB LYS 28 10.447 1.151 -2.915 42 1HG LYS 28 2HG LYS 28 11.767 -1.040 -2.304 43 2HG LYS 28 1HG LYS 28 10.249 -1.869 -2.575 44 1HD LYS 28 2HD LYS 28 10.159 -1.081 -4.877 45 2HD LYS 28 1HD LYS 28 11.526 -0.011 -4.604 46 1HE LYS 28 2HE LYS 28 11.552 -3.074 -4.655 47 2HE LYS 28 1HE LYS 28 12.450 -1.973 -5.700 48 1HZ LYS 28 HZ LYS 28 13.689 -1.235 -3.618 49 H ASN 29 H ASN 29 11.779 2.062 -1.843 50 HA ASN 29 HA ASN 29 14.335 1.378 -1.474 51 1HB ASN 29 2HB ASN 29 13.159 4.102 -0.775 52 2HB ASN 29 1HB ASN 29 14.872 3.817 -1.059 53 1HD2 ASN 29 1HD2 ASN 29 15.459 4.170 -3.244 54 2HD2 ASN 29 2HD2 ASN 29 14.352 4.042 -4.532 55 H LEU 30 H LEU 30 12.530 2.898 1.111 56 HA LEU 30 HA LEU 30 14.484 2.854 3.142 57 1HB LEU 30 2HB LEU 30 11.442 2.716 3.260 58 2HB LEU 30 1HB LEU 30 12.420 2.836 4.703 59 HG LEU 30 HG LEU 30 13.400 4.989 3.908 60 1HD1 LEU 30 1HD1 LEU 30 12.402 6.188 1.982 61 2HD1 LEU 30 2HD1 LEU 30 11.447 4.787 1.561 62 3HD1 LEU 30 3HD1 LEU 30 13.206 4.740 1.442 63 1HD2 LEU 30 1HD2 LEU 30 11.404 5.052 5.335 64 2HD2 LEU 30 2HD2 LEU 30 10.357 4.934 3.932 65 3HD2 LEU 30 3HD2 LEU 30 11.344 6.363 4.177 66 H ILE 31 H ILE 31 11.953 0.501 2.495 67 HA ILE 31 HA ILE 31 12.997 -1.417 4.456 68 HB ILE 31 HB ILE 31 10.835 -1.655 2.309 69 1HG1 ILE 31 2HG1 ILE 31 10.246 0.164 3.861 70 2HG1 ILE 31 1HG1 ILE 31 9.168 -1.188 4.075 71 1HG2 ILE 31 1HG2 ILE 31 9.900 -3.513 3.689 72 2HG2 ILE 31 2HG2 ILE 31 11.285 -3.397 4.765 73 3HG2 ILE 31 3HG2 ILE 31 11.509 -3.882 3.100 74 1HD1 ILE 31 1HD1 ILE 31 10.456 -1.910 6.101 75 2HD1 ILE 31 2HD1 ILE 31 9.866 -0.269 6.262 76 3HD1 ILE 31 3HD1 ILE 31 11.552 -0.557 5.882 77 H GLU 32 H GLU 32 13.689 -0.528 1.346 78 HA GLU 32 HA GLU 32 14.903 -3.189 0.683 79 1HB GLU 32 2HB GLU 32 13.111 -2.036 -0.797 80 2HB GLU 32 1HB GLU 32 14.350 -0.884 -1.232 81 1HG GLU 32 2HG GLU 32 15.525 -2.415 -2.572 82 2HG GLU 32 1HG GLU 32 15.024 -3.805 -1.614 83 H ARG 33 H ARG 33 15.745 -0.605 2.186 84 HA ARG 33 HA ARG 33 18.419 -0.199 0.929 85 1HB ARG 33 2HB ARG 33 17.364 1.929 1.416 86 2HB ARG 33 1HB ARG 33 16.796 1.387 2.973 87 1HG ARG 33 2HG ARG 33 18.889 1.651 4.019 88 2HG ARG 33 1HG ARG 33 19.799 1.493 2.539 89 1HD ARG 33 2HD ARG 33 17.929 3.880 2.813 90 2HD ARG 33 1HD ARG 33 19.458 3.842 3.710 91 HE ARG 33 HE ARG 33 19.533 3.142 0.831 92 1HH1 ARG 33 1HH2 ARG 33 20.166 5.507 3.275 93 2HH1 ARG 33 2HH2 ARG 33 21.288 6.404 2.346 94 1HH2 ARG 33 2HH1 ARG 33 20.970 4.242 -0.430 95 2HH2 ARG 33 1HH1 ARG 33 21.740 5.664 0.131 96 H GLN 34 H GLN 34 16.834 -0.965 3.897 97 HA GLN 34 HA GLN 34 18.876 -1.484 5.690 98 1HB GLN 34 2HB GLN 34 17.449 -3.444 6.545 99 2HB GLN 34 1HB GLN 34 16.592 -1.929 6.383 100 1HG GLN 34 2HG GLN 34 15.558 -2.648 4.284 101 2HG GLN 34 1HG GLN 34 16.482 -4.122 4.230 102 1HE2 GLN 34 1HE2 GLN 34 15.728 -5.914 5.606 103 2HE2 GLN 34 2HE2 GLN 34 14.270 -5.756 6.464 104 H ARG 35 H ARG 35 17.915 -3.542 3.074 105 HA ARG 35 HA ARG 35 20.097 -5.455 3.513 106 1HB ARG 35 2HB ARG 35 17.824 -5.386 1.469 107 2HB ARG 35 1HB ARG 35 18.986 -6.687 1.595 108 1HG ARG 35 2HG ARG 35 18.232 -7.332 3.781 109 2HG ARG 35 1HG ARG 35 17.338 -5.866 4.031 110 1HD ARG 35 2HD ARG 35 15.661 -7.400 3.507 111 2HD ARG 35 1HD ARG 35 15.905 -6.664 1.930 112 HE ARG 35 HE ARG 35 17.572 -8.604 1.543 113 1HH1 ARG 35 1HH2 ARG 35 14.696 -8.859 3.458 114 2HH1 ARG 35 2HH2 ARG 35 14.550 -10.551 3.287 115 1HH2 ARG 35 2HH1 ARG 35 17.402 -10.829 1.245 116 2HH2 ARG 35 1HH1 ARG 35 16.098 -11.687 1.935 117 H TYR 36 H TYR 36 21.120 -3.109 2.999 118 HA TYR 36 HA TYR 36 22.109 -3.294 0.207 119 1HB TYR 36 2HB TYR 36 20.691 -1.248 0.666 120 2HB TYR 36 1HB TYR 36 21.864 -0.732 1.857 121 HD1 TYR 36 HD1 TYR 36 21.681 -1.842 -1.716 122 HD2 TYR 36 HD2 TYR 36 23.570 0.742 1.098 123 HE1 TYR 36 HE1 TYR 36 22.940 -0.784 -3.530 124 HE2 TYR 36 HE2 TYR 36 24.826 1.798 -0.730 125 HH TYR 36 HH TYR 36 25.122 0.497 -3.750 126 1HT TYR 36 1HT TYR 36 23.074 -2.233 3.500 127 2HT TYR 36 2HT TYR 36 24.726 -2.571 3.251 Start of MODEL 4 1 1H ACE 24 1HA ACE 24 1.883 4.050 -4.879 2 2H ACE 24 2HA ACE 24 0.798 4.748 -3.679 3 3H ACE 24 3HA ACE 24 0.737 3.018 -4.021 4 H ALA 24 H ALA 24 1.726 1.833 -2.448 5 HA ALA 24 HA ALA 24 3.592 3.129 -0.581 6 1HB ALA 24 1HB ALA 24 2.614 0.238 -0.735 7 2HB ALA 24 2HB ALA 24 1.861 1.503 0.232 8 3HB ALA 24 3HB ALA 24 3.485 0.950 0.608 9 H ARG 25 H ARG 25 4.585 3.177 -3.072 10 HA ARG 25 HA ARG 25 6.682 1.041 -3.206 11 1HB ARG 25 2HB ARG 25 5.304 1.758 -5.345 12 2HB ARG 25 1HB ARG 25 6.199 3.262 -5.282 13 1HG ARG 25 2HG ARG 25 7.488 1.895 -6.748 14 2HG ARG 25 1HG ARG 25 8.364 1.819 -5.233 15 1HD ARG 25 2HD ARG 25 6.709 -0.320 -4.838 16 2HD ARG 25 1HD ARG 25 6.661 -0.288 -6.573 17 HE ARG 25 HE ARG 25 9.148 -0.476 -4.918 18 1HH1 ARG 25 1HH2 ARG 25 7.475 -1.224 -7.883 19 2HH1 ARG 25 2HH2 ARG 25 8.728 -2.215 -8.479 20 1HH2 ARG 25 2HH1 ARG 25 10.774 -1.759 -5.654 21 2HH2 ARG 25 1HH1 ARG 25 10.696 -2.495 -7.193 22 H HIS 26 H HIS 26 6.146 4.485 -3.226 23 HA HIS 26 HA HIS 26 8.852 5.328 -3.085 24 1HB HIS 26 2HB HIS 26 6.603 6.698 -3.462 25 2HB HIS 26 1HB HIS 26 6.556 6.825 -1.713 26 HD1 HIS 26 HD1 HIS 26 9.373 7.462 -0.987 27 HD2 HIS 26 HD2 HIS 26 7.541 8.968 -4.399 28 HE1 HIS 26 HE1 HIS 26 10.556 9.562 -1.700 29 H TYR 27 H TYR 27 7.124 3.654 -0.904 30 HA TYR 27 HA TYR 27 8.864 4.402 1.413 31 1HB TYR 27 2HB TYR 27 6.010 3.977 1.153 32 2HB TYR 27 1HB TYR 27 6.661 2.739 2.212 33 HD1 TYR 27 HD1 TYR 27 7.471 6.376 1.631 34 HD2 TYR 27 HD2 TYR 27 6.420 3.377 4.475 35 HE1 TYR 27 HE1 TYR 27 7.635 8.018 3.426 36 HE2 TYR 27 HE2 TYR 27 6.581 5.042 6.270 37 HH TYR 27 HH TYR 27 6.627 8.293 5.757 38 H LYS 28 H LYS 28 9.211 2.544 -0.889 39 HA LYS 28 HA LYS 28 9.488 -0.125 0.358 40 1HB LYS 28 2HB LYS 28 8.813 -0.038 -1.974 41 2HB LYS 28 1HB LYS 28 10.180 0.968 -2.402 42 1HG LYS 28 2HG LYS 28 11.701 -0.974 -1.702 43 2HG LYS 28 1HG LYS 28 10.266 -1.978 -1.559 44 1HD LYS 28 2HD LYS 28 9.727 -1.701 -3.817 45 2HD LYS 28 1HD LYS 28 10.893 -0.372 -4.046 46 1HE LYS 28 2HE LYS 28 11.262 -3.341 -4.248 47 2HE LYS 28 1HE LYS 28 12.304 -2.074 -4.902 48 1HZ LYS 28 HZ LYS 28 12.396 -2.971 -2.084 49 H ASN 29 H ASN 29 11.646 2.145 -1.235 50 HA ASN 29 HA ASN 29 14.187 1.241 -0.776 51 1HB ASN 29 2HB ASN 29 13.685 3.470 -1.785 52 2HB ASN 29 1HB ASN 29 13.254 4.117 -0.216 53 1HD2 ASN 29 1HD2 ASN 29 15.858 3.991 -2.381 54 2HD2 ASN 29 2HD2 ASN 29 17.087 4.276 -1.251 55 H LEU 30 H LEU 30 12.440 3.083 1.580 56 HA LEU 30 HA LEU 30 13.929 3.242 3.820 57 1HB LEU 30 2HB LEU 30 11.013 2.429 3.591 58 2HB LEU 30 1HB LEU 30 11.742 2.792 5.127 59 HG LEU 30 HG LEU 30 10.481 4.692 4.146 60 1HD1 LEU 30 1HD1 LEU 30 13.447 5.237 4.551 61 2HD1 LEU 30 2HD1 LEU 30 12.217 5.155 5.799 62 3HD1 LEU 30 3HD1 LEU 30 12.174 6.442 4.614 63 1HD2 LEU 30 1HD2 LEU 30 12.707 4.894 2.063 64 2HD2 LEU 30 2HD2 LEU 30 11.411 6.038 2.310 65 3HD2 LEU 30 3HD2 LEU 30 11.035 4.438 1.726 66 H ILE 31 H ILE 31 12.282 0.410 2.785 67 HA ILE 31 HA ILE 31 13.452 -1.245 4.948 68 HB ILE 31 HB ILE 31 11.497 -2.070 2.738 69 1HG1 ILE 31 2HG1 ILE 31 10.879 -1.192 5.607 70 2HG1 ILE 31 1HG1 ILE 31 10.524 -0.267 4.168 71 1HG2 ILE 31 1HG2 ILE 31 12.766 -3.950 3.851 72 2HG2 ILE 31 2HG2 ILE 31 11.066 -4.009 4.236 73 3HG2 ILE 31 3HG2 ILE 31 12.205 -3.388 5.414 74 1HD1 ILE 31 1HD1 ILE 31 9.332 -3.004 4.780 75 2HD1 ILE 31 2HD1 ILE 31 9.014 -2.051 3.338 76 3HD1 ILE 31 3HD1 ILE 31 8.513 -1.464 4.912 77 H GLU 32 H GLU 32 13.075 -1.233 1.594 78 HA GLU 32 HA GLU 32 14.932 -3.280 0.931 79 1HB GLU 32 2HB GLU 32 13.111 -2.385 -0.533 80 2HB GLU 32 1HB GLU 32 14.038 -0.924 -0.769 81 1HG GLU 32 2HG GLU 32 15.830 -2.214 -1.961 82 2HG GLU 32 1HG GLU 32 14.927 -3.702 -1.689 83 H ARG 33 H ARG 33 15.738 -0.477 2.172 84 HA ARG 33 HA ARG 33 18.333 -0.149 0.743 85 1HB ARG 33 2HB ARG 33 16.900 1.882 1.498 86 2HB ARG 33 1HB ARG 33 17.265 1.454 3.150 87 1HG ARG 33 2HG ARG 33 19.681 1.779 2.767 88 2HG ARG 33 1HG ARG 33 19.433 1.947 1.044 89 1HD ARG 33 2HD ARG 33 19.723 4.156 1.913 90 2HD ARG 33 1HD ARG 33 18.043 4.005 1.481 91 HE ARG 33 HE ARG 33 19.183 3.848 4.257 92 1HH1 ARG 33 1HH2 ARG 33 16.454 4.406 2.175 93 2HH1 ARG 33 2HH2 ARG 33 15.487 5.101 3.388 94 1HH2 ARG 33 2HH1 ARG 33 17.889 4.637 5.912 95 2HH2 ARG 33 1HH1 ARG 33 16.289 5.173 5.588 96 H GLN 34 H GLN 34 16.922 -1.600 3.442 97 HA GLN 34 HA GLN 34 19.281 -1.799 5.122 98 1HB GLN 34 2HB GLN 34 16.694 -3.456 5.070 99 2HB GLN 34 1HB GLN 34 17.820 -3.325 6.416 100 1HG GLN 34 2HG GLN 34 17.382 -0.952 6.709 101 2HG GLN 34 1HG GLN 34 16.338 -0.921 5.295 102 1HE2 GLN 34 1HE2 GLN 34 14.462 -0.304 6.535 103 2HE2 GLN 34 2HE2 GLN 34 13.734 -1.414 7.609 104 H ARG 35 H ARG 35 18.055 -3.370 2.366 105 HA ARG 35 HA ARG 35 19.829 -5.720 2.593 106 1HB ARG 35 2HB ARG 35 17.902 -4.957 0.370 107 2HB ARG 35 1HB ARG 35 18.578 -6.534 0.671 108 1HG ARG 35 2HG ARG 35 16.574 -5.085 2.499 109 2HG ARG 35 1HG ARG 35 16.214 -6.431 1.456 110 1HD ARG 35 2HD ARG 35 16.428 -7.431 3.615 111 2HD ARG 35 1HD ARG 35 17.932 -7.785 2.815 112 HE ARG 35 HE ARG 35 19.019 -5.948 4.082 113 1HH1 ARG 35 1HH2 ARG 35 15.940 -6.992 5.328 114 2HH1 ARG 35 2HH2 ARG 35 16.246 -6.357 6.884 115 1HH2 ARG 35 2HH1 ARG 35 19.448 -5.157 5.980 116 2HH2 ARG 35 1HH1 ARG 35 18.337 -5.314 7.282 117 H TYR 36 H TYR 36 20.854 -2.993 2.363 118 HA TYR 36 HA TYR 36 22.371 -3.254 -0.166 119 1HB TYR 36 2HB TYR 36 20.811 -1.240 -0.065 120 2HB TYR 36 1HB TYR 36 21.680 -0.692 1.356 121 HD1 TYR 36 HD1 TYR 36 22.170 -1.498 -2.276 122 HD2 TYR 36 HD2 TYR 36 23.673 0.543 1.147 123 HE1 TYR 36 HE1 TYR 36 23.825 -0.362 -3.674 124 HE2 TYR 36 HE2 TYR 36 25.326 1.681 -0.267 125 HH TYR 36 HH TYR 36 26.140 0.718 -3.302 126 1HT TYR 36 1HT TYR 36 23.820 -4.656 1.261 127 2HT TYR 36 2HT TYR 36 24.909 -3.869 2.302 Start of MODEL 5 1 1H ACE 24 1HA ACE 24 2.710 7.749 0.147 2 2H ACE 24 2HA ACE 24 1.185 7.294 -0.617 3 3H ACE 24 3HA ACE 24 2.603 7.648 -1.609 4 H ALA 24 H ALA 24 0.814 5.210 -0.479 5 HA ALA 24 HA ALA 24 2.042 3.147 0.618 6 1HB ALA 24 1HB ALA 24 0.841 1.621 -0.939 7 2HB ALA 24 2HB ALA 24 0.548 2.973 -2.023 8 3HB ALA 24 3HB ALA 24 -0.165 2.958 -0.414 9 H ARG 25 H ARG 25 3.145 4.189 -2.465 10 HA ARG 25 HA ARG 25 4.998 1.852 -2.648 11 1HB ARG 25 2HB ARG 25 4.320 3.991 -4.712 12 2HB ARG 25 1HB ARG 25 5.471 2.696 -4.965 13 1HG ARG 25 2HG ARG 25 3.692 0.997 -4.551 14 2HG ARG 25 1HG ARG 25 2.511 2.274 -4.324 15 1HD ARG 25 2HD ARG 25 2.896 3.069 -6.667 16 2HD ARG 25 1HD ARG 25 4.160 1.886 -6.857 17 HE ARG 25 HE ARG 25 2.548 0.084 -6.683 18 1HH1 ARG 25 1HH2 ARG 25 1.191 3.228 -7.130 19 2HH1 ARG 25 2HH2 ARG 25 -0.279 2.667 -7.799 20 1HH2 ARG 25 2HH1 ARG 25 0.657 -0.720 -7.517 21 2HH2 ARG 25 1HH1 ARG 25 -0.597 0.324 -8.015 22 H HIS 26 H HIS 26 5.059 5.281 -2.063 23 HA HIS 26 HA HIS 26 7.926 5.529 -2.581 24 1HB HIS 26 2HB HIS 26 6.312 7.490 -2.768 25 2HB HIS 26 1HB HIS 26 6.029 7.383 -1.041 26 HD1 HIS 26 HD1 HIS 26 9.154 7.677 -3.224 27 HD2 HIS 26 HD2 HIS 26 7.489 9.123 0.301 28 HE1 HIS 26 HE1 HIS 26 10.725 9.314 -2.196 29 H TYR 27 H TYR 27 7.050 3.440 -0.739 30 HA TYR 27 HA TYR 27 8.810 4.163 1.552 31 1HB TYR 27 2HB TYR 27 6.034 3.857 1.786 32 2HB TYR 27 1HB TYR 27 6.629 2.255 2.227 33 HD1 TYR 27 HD1 TYR 27 8.907 2.364 3.735 34 HD2 TYR 27 HD2 TYR 27 5.923 5.409 3.612 35 HE1 TYR 27 HE1 TYR 27 9.688 3.218 5.888 36 HE2 TYR 27 HE2 TYR 27 6.711 6.249 5.772 37 HH TYR 27 HH TYR 27 8.792 6.207 7.106 38 H LYS 28 H LYS 28 8.785 2.659 -1.044 39 HA LYS 28 HA LYS 28 9.390 -0.133 -0.207 40 1HB LYS 28 2HB LYS 28 8.179 0.159 -2.334 41 2HB LYS 28 1HB LYS 28 9.444 1.184 -2.966 42 1HG LYS 28 2HG LYS 28 10.368 -1.524 -1.999 43 2HG LYS 28 1HG LYS 28 9.324 -1.550 -3.393 44 1HD LYS 28 2HD LYS 28 10.792 -0.088 -4.629 45 2HD LYS 28 1HD LYS 28 11.831 0.192 -3.260 46 1HE LYS 28 2HE LYS 28 11.415 -2.601 -4.383 47 2HE LYS 28 1HE LYS 28 12.743 -1.547 -4.864 48 1HZ LYS 28 HZ LYS 28 12.256 -2.263 -2.001 49 H ASN 29 H ASN 29 11.123 2.234 -2.142 50 HA ASN 29 HA ASN 29 13.669 1.363 -2.302 51 1HB ASN 29 2HB ASN 29 12.919 3.693 -2.923 52 2HB ASN 29 1HB ASN 29 13.093 4.190 -1.249 53 1HD2 ASN 29 1HD2 ASN 29 15.227 5.006 -0.779 54 2HD2 ASN 29 2HD2 ASN 29 16.586 4.595 -1.712 55 H LEU 30 H LEU 30 12.649 3.072 0.585 56 HA LEU 30 HA LEU 30 14.887 2.815 2.209 57 1HB LEU 30 2HB LEU 30 11.992 2.539 3.137 58 2HB LEU 30 1HB LEU 30 13.341 3.029 4.131 59 HG LEU 30 HG LEU 30 12.176 4.603 1.768 60 1HD1 LEU 30 1HD1 LEU 30 10.846 4.694 3.836 61 2HD1 LEU 30 2HD1 LEU 30 11.586 6.245 3.512 62 3HD1 LEU 30 3HD1 LEU 30 12.250 5.202 4.756 63 1HD2 LEU 30 1HD2 LEU 30 14.524 5.328 3.582 64 2HD2 LEU 30 2HD2 LEU 30 13.815 6.368 2.359 65 3HD2 LEU 30 3HD2 LEU 30 14.661 4.917 1.871 66 H ILE 31 H ILE 31 12.320 0.458 1.903 67 HA ILE 31 HA ILE 31 13.263 -1.415 3.826 68 HB ILE 31 HB ILE 31 11.799 -2.119 1.210 69 1HG1 ILE 31 2HG1 ILE 31 10.595 -0.187 2.204 70 2HG1 ILE 31 1HG1 ILE 31 9.634 -1.629 2.253 71 1HG2 ILE 31 1HG2 ILE 31 11.621 -3.357 4.002 72 2HG2 ILE 31 2HG2 ILE 31 12.428 -4.076 2.624 73 3HG2 ILE 31 3HG2 ILE 31 10.688 -3.866 2.607 74 1HD1 ILE 31 1HD1 ILE 31 10.199 -1.931 4.673 75 2HD1 ILE 31 2HD1 ILE 31 9.449 -0.383 4.371 76 3HD1 ILE 31 3HD1 ILE 31 11.185 -0.473 4.616 77 H GLU 32 H GLU 32 14.585 -0.566 0.904 78 HA GLU 32 HA GLU 32 16.163 -3.111 0.712 79 1HB GLU 32 2HB GLU 32 15.713 -0.823 -1.278 80 2HB GLU 32 1HB GLU 32 16.735 -2.214 -1.591 81 1HG GLU 32 2HG GLU 32 14.848 -3.743 -1.441 82 2HG GLU 32 1HG GLU 32 13.815 -2.533 -0.706 83 H ARG 33 H ARG 33 16.433 -0.991 2.634 84 HA ARG 33 HA ARG 33 19.180 0.034 2.097 85 1HB ARG 33 2HB ARG 33 17.313 1.582 2.997 86 2HB ARG 33 1HB ARG 33 17.321 0.646 4.465 87 1HG ARG 33 2HG ARG 33 18.800 2.363 5.059 88 2HG ARG 33 1HG ARG 33 19.900 1.103 4.562 89 1HD ARG 33 2HD ARG 33 20.646 3.095 3.472 90 2HD ARG 33 1HD ARG 33 19.896 2.138 2.213 91 HE ARG 33 HE ARG 33 17.797 3.417 2.565 92 1HH1 ARG 33 1HH2 ARG 33 20.785 4.826 3.644 93 2HH1 ARG 33 2HH2 ARG 33 20.203 6.427 3.613 94 1HH2 ARG 33 2HH1 ARG 33 17.001 5.530 2.527 95 2HH2 ARG 33 1HH1 ARG 33 18.021 6.838 2.940 96 H GLN 34 H GLN 34 17.241 -1.437 4.522 97 HA GLN 34 HA GLN 34 19.054 -2.305 6.423 98 1HB GLN 34 2HB GLN 34 16.470 -2.626 6.355 99 2HB GLN 34 1HB GLN 34 16.763 -4.095 5.441 100 1HG GLN 34 2HG GLN 34 16.637 -4.853 7.723 101 2HG GLN 34 1HG GLN 34 18.365 -4.755 7.442 102 1HE2 GLN 34 1HE2 GLN 34 16.091 -3.938 9.690 103 2HE2 GLN 34 2HE2 GLN 34 16.873 -2.602 10.400 104 H ARG 35 H ARG 35 18.222 -4.117 3.500 105 HA ARG 35 HA ARG 35 20.279 -6.119 4.064 106 1HB ARG 35 2HB ARG 35 17.974 -6.577 2.951 107 2HB ARG 35 1HB ARG 35 18.622 -5.823 1.507 108 1HG ARG 35 2HG ARG 35 20.494 -7.520 1.471 109 2HG ARG 35 1HG ARG 35 19.802 -8.311 2.862 110 1HD ARG 35 2HD ARG 35 18.601 -8.031 0.088 111 2HD ARG 35 1HD ARG 35 19.075 -9.543 0.882 112 HE ARG 35 HE ARG 35 17.271 -8.556 2.639 113 1HH1 ARG 35 1HH2 ARG 35 17.113 -8.978 -0.775 114 2HH1 ARG 35 2HH2 ARG 35 15.413 -9.173 -0.840 115 1HH2 ARG 35 2HH1 ARG 35 15.065 -8.791 2.661 116 2HH2 ARG 35 1HH1 ARG 35 14.199 -9.043 1.206 117 H TYR 36 H TYR 36 21.360 -3.583 3.880 118 HA TYR 36 HA TYR 36 23.146 -3.923 1.572 119 1HB TYR 36 2HB TYR 36 21.335 -2.093 1.076 120 2HB TYR 36 1HB TYR 36 22.058 -1.168 2.386 121 HD1 TYR 36 HD1 TYR 36 23.195 -3.116 -0.620 122 HD2 TYR 36 HD2 TYR 36 23.724 0.390 1.749 123 HE1 TYR 36 HE1 TYR 36 24.937 -2.353 -2.140 124 HE2 TYR 36 HE2 TYR 36 25.485 1.147 0.209 125 HH TYR 36 HH TYR 36 26.716 -0.846 -2.357 126 1HT TYR 36 1HT TYR 36 24.993 -1.968 2.092 127 2HT TYR 36 2HT TYR 36 25.558 -2.099 3.691 Start of MODEL 6 1 1H ACE 24 1HA ACE 24 0.852 4.161 -2.485 2 2H ACE 24 2HA ACE 24 1.978 4.852 -3.647 3 3H ACE 24 3HA ACE 24 1.732 5.635 -2.086 4 H ALA 24 H ALA 24 1.633 2.497 -1.438 5 HA ALA 24 HA ALA 24 3.640 2.064 0.253 6 1HB ALA 24 1HB ALA 24 2.031 0.287 -0.393 7 2HB ALA 24 2HB ALA 24 3.665 -0.341 -0.436 8 3HB ALA 24 3HB ALA 24 2.851 0.072 -1.930 9 H ARG 25 H ARG 25 4.195 1.419 -3.089 10 HA ARG 25 HA ARG 25 6.872 0.686 -3.166 11 1HB ARG 25 2HB ARG 25 5.444 2.544 -5.149 12 2HB ARG 25 1HB ARG 25 6.962 1.741 -5.477 13 1HG ARG 25 2HG ARG 25 5.926 -0.487 -5.302 14 2HG ARG 25 1HG ARG 25 4.404 0.204 -4.783 15 1HD ARG 25 2HD ARG 25 4.182 1.345 -7.074 16 2HD ARG 25 1HD ARG 25 5.706 0.580 -7.531 17 HE ARG 25 HE ARG 25 3.476 -1.159 -6.614 18 1HH1 ARG 25 1HH2 ARG 25 5.356 -0.011 -9.283 19 2HH1 ARG 25 2HH2 ARG 25 4.902 -1.266 -10.343 20 1HH2 ARG 25 2HH1 ARG 25 2.840 -2.804 -7.945 21 2HH2 ARG 25 1HH1 ARG 25 3.379 -2.920 -9.570 22 H HIS 26 H HIS 26 5.661 4.005 -3.084 23 HA HIS 26 HA HIS 26 8.230 5.276 -3.172 24 1HB HIS 26 2HB HIS 26 5.555 6.279 -2.090 25 2HB HIS 26 1HB HIS 26 6.971 7.294 -2.297 26 HD1 HIS 26 HD1 HIS 26 4.387 5.491 -4.298 27 HD2 HIS 26 HD2 HIS 26 7.705 7.936 -4.840 28 HE1 HIS 26 HE1 HIS 26 4.463 6.270 -6.692 29 H TYR 27 H TYR 27 7.040 3.448 -0.820 30 HA TYR 27 HA TYR 27 8.732 4.675 1.314 31 1HB TYR 27 2HB TYR 27 6.005 3.381 1.412 32 2HB TYR 27 1HB TYR 27 7.088 3.146 2.757 33 HD1 TYR 27 HD1 TYR 27 5.969 6.026 0.568 34 HD2 TYR 27 HD2 TYR 27 6.872 4.677 4.503 35 HE1 TYR 27 HE1 TYR 27 5.370 8.229 1.472 36 HE2 TYR 27 HE2 TYR 27 6.273 6.864 5.394 37 HH TYR 27 HH TYR 27 5.175 8.864 4.899 38 H LYS 28 H LYS 28 9.008 2.620 -0.874 39 HA LYS 28 HA LYS 28 9.601 0.110 0.573 40 1HB LYS 28 2HB LYS 28 8.769 -0.014 -1.751 41 2HB LYS 28 1HB LYS 28 10.147 0.904 -2.329 42 1HG LYS 28 2HG LYS 28 11.674 -0.918 -1.478 43 2HG LYS 28 1HG LYS 28 10.283 -1.847 -0.976 44 1HD LYS 28 2HD LYS 28 9.536 -2.122 -3.253 45 2HD LYS 28 1HD LYS 28 10.659 -0.901 -3.824 46 1HE LYS 28 2HE LYS 28 11.470 -3.597 -2.579 47 2HE LYS 28 1HE LYS 28 11.567 -3.201 -4.295 48 1HZ LYS 28 HZ LYS 28 13.160 -1.343 -3.610 49 H ASN 29 H ASN 29 11.389 2.556 -1.182 50 HA ASN 29 HA ASN 29 14.025 1.970 -1.097 51 1HB ASN 29 2HB ASN 29 13.276 4.226 -1.720 52 2HB ASN 29 1HB ASN 29 12.893 4.608 -0.050 53 1HD2 ASN 29 1HD2 ASN 29 14.608 5.608 1.096 54 2HD2 ASN 29 2HD2 ASN 29 16.234 5.556 0.588 55 H LEU 30 H LEU 30 12.526 3.414 1.677 56 HA LEU 30 HA LEU 30 14.467 3.392 3.619 57 1HB LEU 30 2HB LEU 30 11.546 2.606 4.030 58 2HB LEU 30 1HB LEU 30 12.624 3.189 5.278 59 HG LEU 30 HG LEU 30 11.808 4.818 2.795 60 1HD1 LEU 30 1HD1 LEU 30 10.907 5.009 5.706 61 2HD1 LEU 30 2HD1 LEU 30 9.922 4.424 4.376 62 3HD1 LEU 30 3HD1 LEU 30 10.443 6.098 4.409 63 1HD2 LEU 30 1HD2 LEU 30 13.309 5.615 5.351 64 2HD2 LEU 30 2HD2 LEU 30 12.876 6.695 4.038 65 3HD2 LEU 30 3HD2 LEU 30 14.077 5.445 3.783 66 H ILE 31 H ILE 31 12.407 0.716 2.810 67 HA ILE 31 HA ILE 31 13.758 -1.073 4.689 68 HB ILE 31 HB ILE 31 11.645 -1.733 2.555 69 1HG1 ILE 31 2HG1 ILE 31 11.254 -1.005 5.516 70 2HG1 ILE 31 1HG1 ILE 31 10.897 0.065 4.182 71 1HG2 ILE 31 1HG2 ILE 31 12.420 -3.207 5.145 72 2HG2 ILE 31 2HG2 ILE 31 12.864 -3.733 3.531 73 3HG2 ILE 31 3HG2 ILE 31 11.183 -3.713 4.010 74 1HD1 ILE 31 1HD1 ILE 31 8.841 -1.028 4.931 75 2HD1 ILE 31 2HD1 ILE 31 9.515 -2.612 4.627 76 3HD1 ILE 31 3HD1 ILE 31 9.218 -1.506 3.290 77 H GLU 32 H GLU 32 13.521 -0.567 1.351 78 HA GLU 32 HA GLU 32 14.964 -2.732 0.316 79 1HB GLU 32 2HB GLU 32 14.093 -0.326 -0.841 80 2HB GLU 32 1HB GLU 32 15.828 -0.093 -0.886 81 1HG GLU 32 2HG GLU 32 15.247 -1.178 -2.995 82 2HG GLU 32 1HG GLU 32 15.943 -2.457 -2.017 83 H ARG 33 H ARG 33 16.028 0.043 1.594 84 HA ARG 33 HA ARG 33 18.866 -0.009 1.436 85 1HB ARG 33 2HB ARG 33 17.181 1.814 2.432 86 2HB ARG 33 1HB ARG 33 17.303 0.911 3.912 87 1HG ARG 33 2HG ARG 33 18.802 2.757 4.124 88 2HG ARG 33 1HG ARG 33 19.786 1.322 3.954 89 1HD ARG 33 2HD ARG 33 20.193 1.854 1.526 90 2HD ARG 33 1HD ARG 33 19.054 3.170 1.633 91 HE ARG 33 HE ARG 33 20.538 4.421 3.025 92 1HH1 ARG 33 1HH2 ARG 33 21.934 1.448 1.872 93 2HH1 ARG 33 2HH2 ARG 33 23.544 1.921 2.158 94 1HH2 ARG 33 2HH1 ARG 33 22.631 5.083 3.430 95 2HH2 ARG 33 1HH1 ARG 33 23.939 4.045 3.080 96 H GLN 34 H GLN 34 16.845 -1.649 3.634 97 HA GLN 34 HA GLN 34 18.843 -2.639 5.431 98 1HB GLN 34 2HB GLN 34 16.159 -3.914 4.706 99 2HB GLN 34 1HB GLN 34 17.108 -4.233 6.151 100 1HG GLN 34 2HG GLN 34 16.781 -1.888 6.916 101 2HG GLN 34 1HG GLN 34 15.954 -1.481 5.424 102 1HE2 GLN 34 1HE2 GLN 34 15.282 -4.609 7.051 103 2HE2 GLN 34 2HE2 GLN 34 13.723 -4.131 7.528 104 H ARG 35 H ARG 35 18.062 -3.595 2.196 105 HA ARG 35 HA ARG 35 19.247 -6.257 2.587 106 1HB ARG 35 2HB ARG 35 17.244 -6.019 1.185 107 2HB ARG 35 1HB ARG 35 18.064 -4.869 0.148 108 1HG ARG 35 2HG ARG 35 19.393 -6.470 -0.892 109 2HG ARG 35 1HG ARG 35 19.329 -7.600 0.440 110 1HD ARG 35 2HD ARG 35 16.970 -6.895 -1.355 111 2HD ARG 35 1HD ARG 35 17.959 -8.295 -1.640 112 HE ARG 35 HE ARG 35 16.062 -7.834 0.588 113 1HH1 ARG 35 1HH2 ARG 35 18.594 -9.731 -0.718 114 2HH1 ARG 35 2HH2 ARG 35 18.216 -11.177 0.121 115 1HH2 ARG 35 2HH1 ARG 35 15.492 -9.666 1.791 116 2HH2 ARG 35 1HH1 ARG 35 16.383 -11.127 1.653 117 H TYR 36 H TYR 36 20.946 -3.906 2.968 118 HA TYR 36 HA TYR 36 22.778 -4.122 0.663 119 1HB TYR 36 2HB TYR 36 22.074 -1.897 2.034 120 2HB TYR 36 1HB TYR 36 23.358 -2.415 3.109 121 HD1 TYR 36 HD1 TYR 36 22.690 -2.063 -0.546 122 HD2 TYR 36 HD2 TYR 36 25.568 -1.615 2.563 123 HE1 TYR 36 HE1 TYR 36 24.289 -1.157 -2.161 124 HE2 TYR 36 HE2 TYR 36 27.164 -0.708 0.936 125 HH TYR 36 HH TYR 36 27.011 -1.064 -2.208 126 1HT TYR 36 1HT TYR 36 25.252 -4.400 1.415 127 2HT TYR 36 2HT TYR 36 25.501 -5.589 2.615 Start of MODEL 7 1 1H ACE 24 1HA ACE 24 1.301 -0.927 -1.135 2 2H ACE 24 2HA ACE 24 1.156 -0.347 -2.798 3 3H ACE 24 3HA ACE 24 -0.132 -0.029 -1.637 4 H ALA 24 H ALA 24 2.587 0.310 0.118 5 HA ALA 24 HA ALA 24 2.476 3.256 -0.011 6 1HB ALA 24 1HB ALA 24 3.937 3.099 1.994 7 2HB ALA 24 2HB ALA 24 4.067 1.365 1.779 8 3HB ALA 24 3HB ALA 24 2.509 2.090 2.175 9 H ARG 25 H ARG 25 3.278 2.511 -2.284 10 HA ARG 25 HA ARG 25 5.546 1.876 -3.395 11 1HB ARG 25 2HB ARG 25 3.928 3.151 -4.644 12 2HB ARG 25 1HB ARG 25 4.233 4.607 -3.720 13 1HG ARG 25 2HG ARG 25 6.634 4.606 -4.689 14 2HG ARG 25 1HG ARG 25 6.155 3.262 -5.701 15 1HD ARG 25 2HD ARG 25 4.731 5.971 -5.648 16 2HD ARG 25 1HD ARG 25 5.997 5.541 -6.783 17 HE ARG 25 HE ARG 25 3.491 3.915 -6.483 18 1HH1 ARG 25 1HH2 ARG 25 5.692 5.639 -8.551 19 2HH1 ARG 25 2HH2 ARG 25 4.916 5.157 -9.997 20 1HH2 ARG 25 2HH1 ARG 25 2.475 3.252 -8.356 21 2HH2 ARG 25 1HH1 ARG 25 3.057 3.760 -9.876 22 H HIS 26 H HIS 26 5.618 5.192 -2.315 23 HA HIS 26 HA HIS 26 8.384 5.574 -2.437 24 1HB HIS 26 2HB HIS 26 6.298 6.976 -0.688 25 2HB HIS 26 1HB HIS 26 7.903 7.609 -1.033 26 HD1 HIS 26 HD1 HIS 26 8.426 7.645 -3.740 27 HD2 HIS 26 HD2 HIS 26 4.446 7.673 -2.536 28 HE1 HIS 26 HE1 HIS 26 7.013 8.445 -5.635 29 H TYR 27 H TYR 27 7.228 3.400 -0.370 30 HA TYR 27 HA TYR 27 9.373 3.976 1.600 31 1HB TYR 27 2HB TYR 27 6.579 2.857 1.852 32 2HB TYR 27 1HB TYR 27 7.755 2.082 2.880 33 HD1 TYR 27 HD1 TYR 27 9.331 3.811 4.226 34 HD2 TYR 27 HD2 TYR 27 5.470 4.781 2.707 35 HE1 TYR 27 HE1 TYR 27 9.164 5.649 5.826 36 HE2 TYR 27 HE2 TYR 27 5.312 6.622 4.318 37 HH TYR 27 HH TYR 27 7.733 7.205 6.791 38 H LYS 28 H LYS 28 8.794 2.236 -0.922 39 HA LYS 28 HA LYS 28 9.718 -0.436 -0.259 40 1HB LYS 28 2HB LYS 28 8.708 0.153 -2.495 41 2HB LYS 28 1HB LYS 28 10.184 0.987 -2.931 42 1HG LYS 28 2HG LYS 28 11.016 -1.606 -1.938 43 2HG LYS 28 1HG LYS 28 9.600 -1.898 -2.918 44 1HD LYS 28 2HD LYS 28 10.542 -0.794 -4.807 45 2HD LYS 28 1HD LYS 28 11.948 -0.252 -3.906 46 1HE LYS 28 2HE LYS 28 11.241 -3.175 -4.470 47 2HE LYS 28 1HE LYS 28 12.553 -2.271 -5.218 48 1HZ LYS 28 HZ LYS 28 12.388 -2.899 -2.301 49 H ASN 29 H ASN 29 11.426 2.211 -1.787 50 HA ASN 29 HA ASN 29 14.025 1.519 -1.869 51 1HB ASN 29 2HB ASN 29 12.827 4.133 -0.891 52 2HB ASN 29 1HB ASN 29 14.563 3.966 -1.077 53 1HD2 ASN 29 1HD2 ASN 29 15.392 4.105 -3.193 54 2HD2 ASN 29 2HD2 ASN 29 14.396 4.264 -4.563 55 H LEU 30 H LEU 30 12.534 2.713 1.070 56 HA LEU 30 HA LEU 30 14.757 2.495 2.796 57 1HB LEU 30 2HB LEU 30 11.770 2.334 3.337 58 2HB LEU 30 1HB LEU 30 12.940 2.210 4.628 59 HG LEU 30 HG LEU 30 12.067 4.539 4.334 60 1HD1 LEU 30 1HD1 LEU 30 14.263 5.670 4.457 61 2HD1 LEU 30 2HD1 LEU 30 15.078 4.267 3.801 62 3HD1 LEU 30 3HD1 LEU 30 14.298 4.176 5.370 63 1HD2 LEU 30 1HD2 LEU 30 11.837 4.564 1.851 64 2HD2 LEU 30 2HD2 LEU 30 13.590 4.506 1.677 65 3HD2 LEU 30 3HD2 LEU 30 12.825 5.897 2.406 66 H ILE 31 H ILE 31 12.211 0.133 2.120 67 HA ILE 31 HA ILE 31 13.189 -1.870 3.892 68 HB ILE 31 HB ILE 31 11.827 -2.337 1.178 69 1HG1 ILE 31 2HG1 ILE 31 10.385 -0.797 2.395 70 2HG1 ILE 31 1HG1 ILE 31 9.643 -2.374 2.433 71 1HG2 ILE 31 1HG2 ILE 31 10.969 -4.432 2.239 72 2HG2 ILE 31 2HG2 ILE 31 11.857 -4.058 3.708 73 3HG2 ILE 31 3HG2 ILE 31 12.722 -4.415 2.230 74 1HD1 ILE 31 1HD1 ILE 31 11.231 -1.127 4.722 75 2HD1 ILE 31 2HD1 ILE 31 10.526 -2.737 4.750 76 3HD1 ILE 31 3HD1 ILE 31 9.489 -1.325 4.649 77 H GLU 32 H GLU 32 13.923 -0.959 0.735 78 HA GLU 32 HA GLU 32 15.987 -3.059 0.383 79 1HB GLU 32 2HB GLU 32 14.787 -0.942 -1.418 80 2HB GLU 32 1HB GLU 32 16.356 -1.577 -1.861 81 1HG GLU 32 2HG GLU 32 15.531 -3.802 -2.127 82 2HG GLU 32 1HG GLU 32 14.045 -3.460 -1.246 83 H ARG 33 H ARG 33 16.028 -0.449 2.093 84 HA ARG 33 HA ARG 33 18.768 0.436 1.314 85 1HB ARG 33 2HB ARG 33 16.979 2.220 1.754 86 2HB ARG 33 1HB ARG 33 16.860 1.649 3.401 87 1HG ARG 33 2HG ARG 33 18.326 3.548 3.514 88 2HG ARG 33 1HG ARG 33 19.355 2.153 3.701 89 1HD ARG 33 2HD ARG 33 19.604 2.385 1.019 90 2HD ARG 33 1HD ARG 33 19.088 4.024 1.335 91 HE ARG 33 HE ARG 33 21.462 2.682 2.592 92 1HH1 ARG 33 1HH2 ARG 33 19.945 5.600 1.429 93 2HH1 ARG 33 2HH2 ARG 33 21.317 6.576 1.722 94 1HH2 ARG 33 2HH1 ARG 33 23.257 3.958 2.976 95 2HH2 ARG 33 1HH1 ARG 33 23.243 5.629 2.619 96 H GLN 34 H GLN 34 16.956 -1.124 3.765 97 HA GLN 34 HA GLN 34 19.303 -1.339 5.594 98 1HB GLN 34 2HB GLN 34 16.553 -1.181 6.082 99 2HB GLN 34 1HB GLN 34 16.834 -2.892 6.306 100 1HG GLN 34 2HG GLN 34 18.268 -0.627 7.780 101 2HG GLN 34 1HG GLN 34 17.032 -1.646 8.470 102 1HE2 GLN 34 1HE2 GLN 34 17.783 -3.617 9.483 103 2HE2 GLN 34 2HE2 GLN 34 19.405 -4.121 9.365 104 H ARG 35 H ARG 35 17.580 -3.363 3.324 105 HA ARG 35 HA ARG 35 19.038 -5.726 4.258 106 1HB ARG 35 2HB ARG 35 16.670 -6.006 3.705 107 2HB ARG 35 1HB ARG 35 16.908 -5.346 2.112 108 1HG ARG 35 2HG ARG 35 16.563 -7.741 1.911 109 2HG ARG 35 1HG ARG 35 18.215 -7.411 1.475 110 1HD ARG 35 2HD ARG 35 17.544 -8.290 4.338 111 2HD ARG 35 1HD ARG 35 17.753 -9.454 3.020 112 HE ARG 35 HE ARG 35 19.844 -7.411 3.393 113 1HH1 ARG 35 1HH2 ARG 35 19.000 -10.727 3.787 114 2HH1 ARG 35 2HH2 ARG 35 20.626 -11.248 3.931 115 1HH2 ARG 35 2HH1 ARG 35 21.878 -7.958 3.526 116 2HH2 ARG 35 1HH1 ARG 35 22.350 -9.576 3.812 117 H TYR 36 H TYR 36 19.299 -3.573 1.656 118 HA TYR 36 HA TYR 36 21.354 -5.314 0.406 119 1HB TYR 36 2HB TYR 36 20.033 -2.860 -0.860 120 2HB TYR 36 1HB TYR 36 21.059 -4.035 -1.647 121 HD1 TYR 36 HD1 TYR 36 17.899 -4.107 0.422 122 HD2 TYR 36 HD2 TYR 36 19.948 -5.591 -3.001 123 HE1 TYR 36 HE1 TYR 36 15.941 -5.440 -0.169 124 HE2 TYR 36 HE2 TYR 36 17.983 -6.905 -3.591 125 HH TYR 36 HH TYR 36 15.876 -7.506 -3.026 126 1HT TYR 36 1HT TYR 36 23.361 -4.069 -0.449 127 2HT TYR 36 2HT TYR 36 23.885 -2.763 0.503 Start of MODEL 8 1 1H ACE 24 1HA ACE 24 1.101 -1.207 -3.198 2 2H ACE 24 2HA ACE 24 2.283 -1.962 -2.134 3 3H ACE 24 3HA ACE 24 2.662 -1.724 -3.845 4 H ALA 24 H ALA 24 3.251 -0.478 -0.832 5 HA ALA 24 HA ALA 24 3.209 2.368 -1.575 6 1HB ALA 24 1HB ALA 24 2.774 1.654 0.768 7 2HB ALA 24 2HB ALA 24 4.187 2.691 0.695 8 3HB ALA 24 3HB ALA 24 4.387 0.961 0.858 9 H ARG 25 H ARG 25 4.588 1.348 -3.464 10 HA ARG 25 HA ARG 25 7.259 0.759 -3.466 11 1HB ARG 25 2HB ARG 25 7.442 2.019 -5.623 12 2HB ARG 25 1HB ARG 25 6.059 0.950 -5.550 13 1HG ARG 25 2HG ARG 25 4.570 2.919 -5.008 14 2HG ARG 25 1HG ARG 25 5.947 3.999 -5.144 15 1HD ARG 25 2HD ARG 25 4.933 2.239 -7.408 16 2HD ARG 25 1HD ARG 25 4.615 3.948 -7.224 17 HE ARG 25 HE ARG 25 7.374 2.768 -7.465 18 1HH1 ARG 25 1HH2 ARG 25 5.134 5.306 -8.263 19 2HH1 ARG 25 2HH2 ARG 25 6.256 6.192 -9.196 20 1HH2 ARG 25 2HH1 ARG 25 8.863 3.912 -8.679 21 2HH2 ARG 25 1HH1 ARG 25 8.412 5.372 -9.434 22 H HIS 26 H HIS 26 6.046 4.047 -3.241 23 HA HIS 26 HA HIS 26 8.577 5.337 -3.127 24 1HB HIS 26 2HB HIS 26 7.181 7.259 -2.110 25 2HB HIS 26 1HB HIS 26 6.620 6.668 -3.659 26 HD1 HIS 26 HD1 HIS 26 4.309 7.691 -2.836 27 HD2 HIS 26 HD2 HIS 26 5.595 4.341 -0.739 28 HE1 HIS 26 HE1 HIS 26 2.399 6.728 -1.564 29 H TYR 27 H TYR 27 7.266 3.453 -0.839 30 HA TYR 27 HA TYR 27 9.027 4.585 1.279 31 1HB TYR 27 2HB TYR 27 6.262 3.319 1.438 32 2HB TYR 27 1HB TYR 27 7.366 3.272 2.785 33 HD1 TYR 27 HD1 TYR 27 8.574 5.731 3.166 34 HD2 TYR 27 HD2 TYR 27 4.688 5.158 1.513 35 HE1 TYR 27 HE1 TYR 27 7.974 8.007 3.784 36 HE2 TYR 27 HE2 TYR 27 4.101 7.448 2.140 37 HH TYR 27 HH TYR 27 5.203 9.144 4.208 38 H LYS 28 H LYS 28 9.099 2.522 -0.914 39 HA LYS 28 HA LYS 28 9.584 -0.042 0.398 40 1HB LYS 28 2HB LYS 28 8.943 0.231 -2.071 41 2HB LYS 28 1HB LYS 28 10.538 0.883 -2.373 42 1HG LYS 28 2HG LYS 28 11.472 -1.278 -1.374 43 2HG LYS 28 1HG LYS 28 9.846 -1.919 -1.352 44 1HD LYS 28 2HD LYS 28 9.658 -1.759 -3.772 45 2HD LYS 28 1HD LYS 28 11.148 -0.842 -3.882 46 1HE LYS 28 2HE LYS 28 10.786 -3.831 -3.293 47 2HE LYS 28 1HE LYS 28 11.810 -3.072 -4.503 48 1HZ LYS 28 HZ LYS 28 12.328 -3.025 -1.580 49 H ASN 29 H ASN 29 11.562 2.481 -1.046 50 HA ASN 29 HA ASN 29 14.173 1.835 -0.673 51 1HB ASN 29 2HB ASN 29 13.695 4.127 -1.310 52 2HB ASN 29 1HB ASN 29 12.838 4.458 0.185 53 1HD2 ASN 29 1HD2 ASN 29 14.173 5.912 1.402 54 2HD2 ASN 29 2HD2 ASN 29 15.851 5.721 1.552 55 H LEU 30 H LEU 30 12.580 3.410 1.972 56 HA LEU 30 HA LEU 30 14.179 3.207 4.103 57 1HB LEU 30 2HB LEU 30 11.250 2.351 4.202 58 2HB LEU 30 1HB LEU 30 12.200 2.884 5.569 59 HG LEU 30 HG LEU 30 11.442 4.620 3.160 60 1HD1 LEU 30 1HD1 LEU 30 9.550 4.118 4.695 61 2HD1 LEU 30 2HD1 LEU 30 10.034 5.799 4.850 62 3HD1 LEU 30 3HD1 LEU 30 10.510 4.635 6.065 63 1HD2 LEU 30 1HD2 LEU 30 13.674 5.292 4.166 64 2HD2 LEU 30 2HD2 LEU 30 12.913 5.367 5.747 65 3HD2 LEU 30 3HD2 LEU 30 12.429 6.483 4.485 66 H ILE 31 H ILE 31 12.228 0.510 3.057 67 HA ILE 31 HA ILE 31 13.617 -1.268 4.975 68 HB ILE 31 HB ILE 31 11.338 -2.063 3.100 69 1HG1 ILE 31 2HG1 ILE 31 11.069 -0.823 5.900 70 2HG1 ILE 31 1HG1 ILE 31 10.587 -0.051 4.400 71 1HG2 ILE 31 1HG2 ILE 31 12.571 -3.896 4.293 72 2HG2 ILE 31 2HG2 ILE 31 10.930 -3.796 4.872 73 3HG2 ILE 31 3HG2 ILE 31 12.240 -3.133 5.834 74 1HD1 ILE 31 1HD1 ILE 31 8.614 -1.033 5.477 75 2HD1 ILE 31 2HD1 ILE 31 9.361 -2.614 5.495 76 3HD1 ILE 31 3HD1 ILE 31 8.944 -1.859 3.966 77 H GLU 32 H GLU 32 13.508 -0.591 1.674 78 HA GLU 32 HA GLU 32 14.900 -3.147 1.024 79 1HB GLU 32 2HB GLU 32 13.108 -2.140 -0.411 80 2HB GLU 32 1HB GLU 32 14.218 -0.878 -0.879 81 1HG GLU 32 2HG GLU 32 15.736 -2.431 -2.022 82 2HG GLU 32 1HG GLU 32 14.922 -3.837 -1.345 83 H ARG 33 H ARG 33 15.753 -0.356 2.181 84 HA ARG 33 HA ARG 33 18.274 0.076 0.726 85 1HB ARG 33 2HB ARG 33 16.884 1.906 1.881 86 2HB ARG 33 1HB ARG 33 17.312 1.217 3.436 87 1HG ARG 33 2HG ARG 33 19.672 1.744 3.074 88 2HG ARG 33 1HG ARG 33 19.362 2.182 1.397 89 1HD ARG 33 2HD ARG 33 17.789 4.007 2.259 90 2HD ARG 33 1HD ARG 33 18.348 3.621 3.878 91 HE ARG 33 HE ARG 33 20.248 4.357 1.682 92 1HH1 ARG 33 1HH2 ARG 33 19.026 4.936 4.863 93 2HH1 ARG 33 2HH2 ARG 33 20.196 6.127 5.256 94 1HH2 ARG 33 2HH1 ARG 33 21.815 5.866 2.149 95 2HH2 ARG 33 1HH1 ARG 33 21.825 6.657 3.665 96 H GLN 34 H GLN 34 17.150 -1.038 3.795 97 HA GLN 34 HA GLN 34 19.518 -1.989 5.002 98 1HB GLN 34 2HB GLN 34 16.714 -3.245 5.042 99 2HB GLN 34 1HB GLN 34 18.034 -3.856 6.021 100 1HG GLN 34 2HG GLN 34 18.216 -1.576 7.111 101 2HG GLN 34 1HG GLN 34 16.812 -1.045 6.187 102 1HE2 GLN 34 1HE2 GLN 34 17.575 -2.151 9.209 103 2HE2 GLN 34 2HE2 GLN 34 16.108 -2.939 9.561 104 H ARG 35 H ARG 35 17.526 -3.654 2.557 105 HA ARG 35 HA ARG 35 19.363 -5.918 2.453 106 1HB ARG 35 2HB ARG 35 17.032 -5.066 0.684 107 2HB ARG 35 1HB ARG 35 18.095 -6.351 0.180 108 1HG ARG 35 2HG ARG 35 17.564 -7.617 2.298 109 2HG ARG 35 1HG ARG 35 16.386 -6.380 2.704 110 1HD ARG 35 2HD ARG 35 15.078 -6.847 0.689 111 2HD ARG 35 1HD ARG 35 16.352 -7.830 0.006 112 HE ARG 35 HE ARG 35 14.803 -8.594 2.466 113 1HH1 ARG 35 1HH2 ARG 35 16.196 -9.501 -0.603 114 2HH1 ARG 35 2HH2 ARG 35 15.670 -11.120 -0.519 115 1HH2 ARG 35 2HH1 ARG 35 14.164 -10.709 2.631 116 2HH2 ARG 35 1HH1 ARG 35 14.496 -11.844 1.398 117 H TYR 36 H TYR 36 20.591 -3.252 1.959 118 HA TYR 36 HA TYR 36 21.536 -3.628 -0.823 119 1HB TYR 36 2HB TYR 36 20.826 -1.304 -0.382 120 2HB TYR 36 1HB TYR 36 21.825 -1.218 1.058 121 HD1 TYR 36 HD1 TYR 36 22.183 -2.123 -2.588 122 HD2 TYR 36 HD2 TYR 36 23.960 -0.234 0.794 123 HE1 TYR 36 HE1 TYR 36 24.105 -1.470 -3.953 124 HE2 TYR 36 HE2 TYR 36 25.878 0.415 -0.584 125 HH TYR 36 HH TYR 36 26.656 -0.930 -3.406 126 1HT TYR 36 1HT TYR 36 22.887 -2.846 2.406 127 2HT TYR 36 2HT TYR 36 24.352 -3.680 2.141 Start of MODEL 9 1 1H ACE 24 1HA ACE 24 0.287 0.071 -2.988 2 2H ACE 24 2HA ACE 24 1.413 -0.902 -2.045 3 3H ACE 24 3HA ACE 24 1.794 -0.488 -3.709 4 H ALA 24 H ALA 24 2.627 0.298 -0.646 5 HA ALA 24 HA ALA 24 2.788 3.220 -0.968 6 1HB ALA 24 1HB ALA 24 2.358 2.210 1.265 7 2HB ALA 24 2HB ALA 24 3.852 3.132 1.264 8 3HB ALA 24 3HB ALA 24 3.913 1.383 1.187 9 H ARG 25 H ARG 25 3.945 2.294 -3.037 10 HA ARG 25 HA ARG 25 6.502 1.422 -3.364 11 1HB ARG 25 2HB ARG 25 5.294 3.903 -4.701 12 2HB ARG 25 1HB ARG 25 6.722 3.060 -5.278 13 1HG ARG 25 2HG ARG 25 5.426 0.964 -5.532 14 2HG ARG 25 1HG ARG 25 3.989 1.751 -4.909 15 1HD ARG 25 2HD ARG 25 3.817 3.201 -6.810 16 2HD ARG 25 1HD ARG 25 5.390 2.754 -7.432 17 HE ARG 25 HE ARG 25 2.986 0.978 -7.198 18 1HH1 ARG 25 1HH2 ARG 25 6.067 1.638 -8.652 19 2HH1 ARG 25 2HH2 ARG 25 5.981 0.363 -9.781 20 1HH2 ARG 25 2HH1 ARG 25 2.817 -0.695 -8.660 21 2HH2 ARG 25 1HH1 ARG 25 4.055 -0.979 -9.806 22 H HIS 26 H HIS 26 5.823 4.748 -2.561 23 HA HIS 26 HA HIS 26 8.384 5.797 -2.400 24 1HB HIS 26 2HB HIS 26 7.261 7.325 -0.524 25 2HB HIS 26 1HB HIS 26 6.617 7.398 -2.151 26 HD1 HIS 26 HD1 HIS 26 4.243 6.462 -2.482 27 HD2 HIS 26 HD2 HIS 26 5.731 5.897 1.359 28 HE1 HIS 26 HE1 HIS 26 2.405 5.662 -1.002 29 H TYR 27 H TYR 27 6.942 3.764 -0.263 30 HA TYR 27 HA TYR 27 9.133 4.018 1.759 31 1HB TYR 27 2HB TYR 27 6.281 3.078 1.852 32 2HB TYR 27 1HB TYR 27 7.409 2.439 3.022 33 HD1 TYR 27 HD1 TYR 27 5.557 3.552 4.504 34 HD2 TYR 27 HD2 TYR 27 8.334 5.870 2.223 35 HE1 TYR 27 HE1 TYR 27 5.143 5.494 5.929 36 HE2 TYR 27 HE2 TYR 27 7.902 7.777 3.659 37 HH TYR 27 HH TYR 27 6.673 7.700 6.566 38 H LYS 28 H LYS 28 9.033 2.420 -0.788 39 HA LYS 28 HA LYS 28 9.567 -0.340 0.218 40 1HB LYS 28 2HB LYS 28 8.578 0.546 -2.227 41 2HB LYS 28 1HB LYS 28 10.269 0.349 -2.642 42 1HG LYS 28 2HG LYS 28 10.025 -1.998 -1.453 43 2HG LYS 28 1HG LYS 28 8.319 -1.720 -1.612 44 1HD LYS 28 2HD LYS 28 9.012 -3.014 -3.495 45 2HD LYS 28 1HD LYS 28 8.601 -1.416 -4.087 46 1HE LYS 28 2HE LYS 28 10.819 -2.470 -4.930 47 2HE LYS 28 1HE LYS 28 10.935 -0.806 -4.367 48 1HZ LYS 28 HZ LYS 28 11.608 -3.204 -2.680 49 H ASN 29 H ASN 29 11.121 2.194 -1.548 50 HA ASN 29 HA ASN 29 13.771 1.568 -1.802 51 1HB ASN 29 2HB ASN 29 12.673 3.713 -2.458 52 2HB ASN 29 1HB ASN 29 12.749 4.262 -0.802 53 1HD2 ASN 29 1HD2 ASN 29 15.679 2.733 -0.944 54 2HD2 ASN 29 2HD2 ASN 29 16.579 4.000 -1.633 55 H LEU 30 H LEU 30 12.270 2.721 1.085 56 HA LEU 30 HA LEU 30 14.532 2.919 2.822 57 1HB LEU 30 2HB LEU 30 11.663 2.257 3.648 58 2HB LEU 30 1HB LEU 30 12.894 3.011 4.632 59 HG LEU 30 HG LEU 30 11.699 4.312 2.118 60 1HD1 LEU 30 1HD1 LEU 30 10.439 5.721 3.715 61 2HD1 LEU 30 2HD1 LEU 30 11.085 4.814 5.064 62 3HD1 LEU 30 3HD1 LEU 30 10.002 4.038 3.928 63 1HD2 LEU 30 1HD2 LEU 30 13.436 5.456 4.349 64 2HD2 LEU 30 2HD2 LEU 30 12.785 6.360 2.996 65 3HD2 LEU 30 3HD2 LEU 30 13.989 5.119 2.718 66 H ILE 31 H ILE 31 12.116 0.395 2.480 67 HA ILE 31 HA ILE 31 13.460 -1.449 4.276 68 HB ILE 31 HB ILE 31 11.301 -1.969 2.141 69 1HG1 ILE 31 2HG1 ILE 31 11.102 -1.276 5.121 70 2HG1 ILE 31 1HG1 ILE 31 10.599 -0.244 3.799 71 1HG2 ILE 31 1HG2 ILE 31 10.784 -4.018 3.489 72 2HG2 ILE 31 2HG2 ILE 31 12.089 -3.634 4.600 73 3HG2 ILE 31 3HG2 ILE 31 12.438 -4.072 2.939 74 1HD1 ILE 31 1HD1 ILE 31 9.325 -2.908 4.526 75 2HD1 ILE 31 2HD1 ILE 31 8.866 -1.920 3.142 76 3HD1 ILE 31 3HD1 ILE 31 8.640 -1.314 4.773 77 H GLU 32 H GLU 32 13.830 -0.466 1.127 78 HA GLU 32 HA GLU 32 15.357 -2.881 0.273 79 1HB GLU 32 2HB GLU 32 14.564 -0.315 -1.172 80 2HB GLU 32 1HB GLU 32 15.502 -1.590 -1.921 81 1HG GLU 32 2HG GLU 32 13.717 -3.158 -1.794 82 2HG GLU 32 1HG GLU 32 12.863 -2.248 -0.562 83 H ARG 33 H ARG 33 16.000 -0.568 2.237 84 HA ARG 33 HA ARG 33 18.715 0.116 1.194 85 1HB ARG 33 2HB ARG 33 17.229 1.981 2.033 86 2HB ARG 33 1HB ARG 33 17.097 1.202 3.582 87 1HG ARG 33 2HG ARG 33 18.652 2.936 3.901 88 2HG ARG 33 1HG ARG 33 19.572 1.459 3.905 89 1HD ARG 33 2HD ARG 33 20.737 1.994 1.968 90 2HD ARG 33 1HD ARG 33 19.356 2.761 1.224 91 HE ARG 33 HE ARG 33 19.675 4.732 2.593 92 1HH1 ARG 33 1HH2 ARG 33 22.332 2.548 2.622 93 2HH1 ARG 33 2HH2 ARG 33 23.474 3.699 3.169 94 1HH2 ARG 33 2HH1 ARG 33 21.073 6.287 3.259 95 2HH2 ARG 33 1HH1 ARG 33 22.719 5.931 3.530 96 H GLN 34 H GLN 34 17.182 -0.731 4.169 97 HA GLN 34 HA GLN 34 19.144 -1.696 5.790 98 1HB GLN 34 2HB GLN 34 16.427 -2.978 5.270 99 2HB GLN 34 1HB GLN 34 17.502 -3.593 6.515 100 1HG GLN 34 2HG GLN 34 17.553 -1.329 7.590 101 2HG GLN 34 1HG GLN 34 16.442 -0.730 6.375 102 1HE2 GLN 34 1HE2 GLN 34 15.245 -3.802 6.852 103 2HE2 GLN 34 2HE2 GLN 34 14.218 -3.437 8.152 104 H ARG 35 H ARG 35 17.700 -3.888 3.377 105 HA ARG 35 HA ARG 35 19.921 -5.753 3.833 106 1HB ARG 35 2HB ARG 35 17.141 -6.005 3.080 107 2HB ARG 35 1HB ARG 35 18.075 -6.601 1.727 108 1HG ARG 35 2HG ARG 35 19.237 -8.214 3.102 109 2HG ARG 35 1HG ARG 35 18.633 -7.500 4.579 110 1HD ARG 35 2HD ARG 35 17.392 -9.523 4.109 111 2HD ARG 35 1HD ARG 35 16.292 -8.176 3.969 112 HE ARG 35 HE ARG 35 16.714 -8.276 1.460 113 1HH1 ARG 35 1HH2 ARG 35 17.007 -11.107 3.459 114 2HH1 ARG 35 2HH2 ARG 35 16.652 -12.214 2.213 115 1HH2 ARG 35 2HH1 ARG 35 16.273 -9.743 -0.224 116 2HH2 ARG 35 1HH1 ARG 35 16.217 -11.425 0.077 117 H TYR 36 H TYR 36 20.786 -3.391 2.665 118 HA TYR 36 HA TYR 36 21.647 -4.328 -0.012 119 1HB TYR 36 2HB TYR 36 19.973 -2.250 0.231 120 2HB TYR 36 1HB TYR 36 21.432 -1.377 0.660 121 HD1 TYR 36 HD1 TYR 36 23.531 -2.066 -1.107 122 HD2 TYR 36 HD2 TYR 36 19.365 -2.055 -1.978 123 HE1 TYR 36 HE1 TYR 36 24.026 -1.830 -3.476 124 HE2 TYR 36 HE2 TYR 36 19.874 -1.813 -4.360 125 HH TYR 36 HH TYR 36 22.475 -0.732 -5.556 126 1HT TYR 36 1HT TYR 36 23.338 -5.213 1.766 127 2HT TYR 36 2HT TYR 36 24.679 -4.193 2.013 Start of MODEL 10 1 1H ACE 24 1HA ACE 24 1.746 5.149 -2.531 2 2H ACE 24 2HA ACE 24 1.764 5.868 -0.925 3 3H ACE 24 3HA ACE 24 0.851 4.389 -1.214 4 H ALA 24 H ALA 24 1.820 2.684 -0.420 5 HA ALA 24 HA ALA 24 4.083 2.250 0.896 6 1HB ALA 24 1HB ALA 24 4.123 -0.099 0.103 7 2HB ALA 24 2HB ALA 24 3.057 0.317 -1.225 8 3HB ALA 24 3HB ALA 24 2.483 0.434 0.435 9 H ARG 25 H ARG 25 4.122 2.120 -2.541 10 HA ARG 25 HA ARG 25 6.725 1.276 -3.117 11 1HB ARG 25 2HB ARG 25 5.281 3.564 -4.534 12 2HB ARG 25 1HB ARG 25 6.595 2.612 -5.189 13 1HG ARG 25 2HG ARG 25 5.307 0.598 -5.234 14 2HG ARG 25 1HG ARG 25 4.018 1.260 -4.261 15 1HD ARG 25 2HD ARG 25 3.627 2.958 -6.215 16 2HD ARG 25 1HD ARG 25 4.776 1.990 -7.097 17 HE ARG 25 HE ARG 25 3.344 0.124 -7.077 18 1HH1 ARG 25 1HH2 ARG 25 1.962 2.835 -5.459 19 2HH1 ARG 25 2HH2 ARG 25 0.349 2.249 -5.515 20 1HH2 ARG 25 2HH1 ARG 25 1.295 -0.712 -7.169 21 2HH2 ARG 25 1HH1 ARG 25 -0.033 0.140 -6.510 22 H HIS 26 H HIS 26 5.706 4.553 -2.349 23 HA HIS 26 HA HIS 26 8.295 5.731 -2.570 24 1HB HIS 26 2HB HIS 26 5.881 6.514 -0.838 25 2HB HIS 26 1HB HIS 26 7.264 7.564 -1.111 26 HD1 HIS 26 HD1 HIS 26 7.702 8.111 -3.737 27 HD2 HIS 26 HD2 HIS 26 3.956 6.634 -2.699 28 HE1 HIS 26 HE1 HIS 26 6.089 8.580 -5.600 29 H TYR 27 H TYR 27 6.931 3.795 -0.325 30 HA TYR 27 HA TYR 27 9.103 4.224 1.686 31 1HB TYR 27 2HB TYR 27 6.395 4.226 2.005 32 2HB TYR 27 1HB TYR 27 6.742 2.548 2.377 33 HD1 TYR 27 HD1 TYR 27 8.624 2.049 4.081 34 HD2 TYR 27 HD2 TYR 27 6.862 5.905 3.684 35 HE1 TYR 27 HE1 TYR 27 9.505 2.677 6.268 36 HE2 TYR 27 HE2 TYR 27 7.741 6.527 5.883 37 HH TYR 27 HH TYR 27 8.481 5.325 7.994 38 H LYS 28 H LYS 28 8.994 2.633 -0.809 39 HA LYS 28 HA LYS 28 9.429 -0.167 0.115 40 1HB LYS 28 2HB LYS 28 8.170 0.067 -1.902 41 2HB LYS 28 1HB LYS 28 9.346 1.144 -2.612 42 1HG LYS 28 2HG LYS 28 10.434 -1.518 -1.891 43 2HG LYS 28 1HG LYS 28 9.237 -1.515 -3.168 44 1HD LYS 28 2HD LYS 28 10.408 0.151 -4.415 45 2HD LYS 28 1HD LYS 28 11.570 0.452 -3.156 46 1HE LYS 28 2HE LYS 28 11.271 -2.182 -4.629 47 2HE LYS 28 1HE LYS 28 12.575 -1.012 -4.852 48 1HZ LYS 28 HZ LYS 28 12.007 -2.443 -2.289 49 H ASN 29 H ASN 29 11.242 2.323 -1.551 50 HA ASN 29 HA ASN 29 13.780 1.117 -1.758 51 1HB ASN 29 2HB ASN 29 13.062 3.489 -2.577 52 2HB ASN 29 1HB ASN 29 13.452 4.052 -0.958 53 1HD2 ASN 29 1HD2 ASN 29 14.820 3.476 -4.025 54 2HD2 ASN 29 2HD2 ASN 29 16.441 3.512 -3.506 55 H LEU 30 H LEU 30 12.588 3.076 0.897 56 HA LEU 30 HA LEU 30 14.638 2.978 2.755 57 1HB LEU 30 2HB LEU 30 11.616 2.806 3.250 58 2HB LEU 30 1HB LEU 30 12.774 2.976 4.540 59 HG LEU 30 HG LEU 30 13.596 5.126 3.535 60 1HD1 LEU 30 1HD1 LEU 30 12.208 6.272 1.814 61 2HD1 LEU 30 2HD1 LEU 30 11.265 4.823 1.585 62 3HD1 LEU 30 3HD1 LEU 30 12.974 4.858 1.157 63 1HD2 LEU 30 1HD2 LEU 30 11.907 5.202 5.315 64 2HD2 LEU 30 2HD2 LEU 30 10.615 5.023 4.141 65 3HD2 LEU 30 3HD2 LEU 30 11.591 6.476 4.157 66 H ILE 31 H ILE 31 12.219 0.505 2.153 67 HA ILE 31 HA ILE 31 13.090 -1.258 4.251 68 HB ILE 31 HB ILE 31 11.745 -2.009 1.595 69 1HG1 ILE 31 2HG1 ILE 31 10.431 -1.289 4.266 70 2HG1 ILE 31 1HG1 ILE 31 10.501 -0.187 2.917 71 1HG2 ILE 31 1HG2 ILE 31 11.695 -3.380 4.327 72 2HG2 ILE 31 2HG2 ILE 31 12.646 -3.930 2.962 73 3HG2 ILE 31 3HG2 ILE 31 10.901 -3.966 2.874 74 1HD1 ILE 31 1HD1 ILE 31 9.221 -1.842 1.524 75 2HD1 ILE 31 2HD1 ILE 31 8.331 -1.293 2.932 76 3HD1 ILE 31 3HD1 ILE 31 9.072 -2.882 2.930 77 H GLU 32 H GLU 32 13.653 -1.121 0.911 78 HA GLU 32 HA GLU 32 15.596 -3.186 0.694 79 1HB GLU 32 2HB GLU 32 15.284 -0.647 -0.983 80 2HB GLU 32 1HB GLU 32 16.390 -1.928 -1.424 81 1HG GLU 32 2HG GLU 32 14.630 -3.519 -1.744 82 2HG GLU 32 1HG GLU 32 13.473 -2.572 -0.824 83 H ARG 33 H ARG 33 15.985 -0.111 1.651 84 HA ARG 33 HA ARG 33 18.829 0.281 1.600 85 1HB ARG 33 2HB ARG 33 17.205 2.132 2.383 86 2HB ARG 33 1HB ARG 33 16.931 1.224 3.854 87 1HG ARG 33 2HG ARG 33 19.385 1.396 4.420 88 2HG ARG 33 1HG ARG 33 19.611 2.381 2.992 89 1HD ARG 33 2HD ARG 33 18.022 4.127 4.016 90 2HD ARG 33 1HD ARG 33 17.904 3.058 5.421 91 HE ARG 33 HE ARG 33 20.589 3.925 4.482 92 1HH1 ARG 33 1HH2 ARG 33 18.169 4.094 6.935 93 2HH1 ARG 33 2HH2 ARG 33 19.192 4.764 8.124 94 1HH2 ARG 33 2HH1 ARG 33 21.992 4.782 5.977 95 2HH2 ARG 33 1HH1 ARG 33 21.459 5.204 7.550 96 H GLN 34 H GLN 34 16.785 -1.375 3.793 97 HA GLN 34 HA GLN 34 18.856 -2.098 5.699 98 1HB GLN 34 2HB GLN 34 16.170 -3.427 5.140 99 2HB GLN 34 1HB GLN 34 17.138 -3.645 6.586 100 1HG GLN 34 2HG GLN 34 16.894 -1.268 7.186 101 2HG GLN 34 1HG GLN 34 16.030 -0.937 5.686 102 1HE2 GLN 34 1HE2 GLN 34 13.838 -0.901 5.998 103 2HE2 GLN 34 2HE2 GLN 34 12.993 -1.846 7.145 104 H ARG 35 H ARG 35 17.941 -3.283 2.644 105 HA ARG 35 HA ARG 35 19.223 -5.894 3.080 106 1HB ARG 35 2HB ARG 35 17.085 -5.226 1.573 107 2HB ARG 35 1HB ARG 35 18.307 -4.859 0.379 108 1HG ARG 35 2HG ARG 35 17.759 -7.570 1.681 109 2HG ARG 35 1HG ARG 35 17.490 -7.133 0.006 110 1HD ARG 35 2HD ARG 35 19.912 -6.648 -0.196 111 2HD ARG 35 1HD ARG 35 20.213 -7.397 1.380 112 HE ARG 35 HE ARG 35 18.925 -9.402 0.190 113 1HH1 ARG 35 1HH2 ARG 35 21.326 -7.251 -1.087 114 2HH1 ARG 35 2HH2 ARG 35 21.892 -8.336 -2.276 115 1HH2 ARG 35 2HH1 ARG 35 19.666 -10.908 -1.345 116 2HH2 ARG 35 1HH1 ARG 35 20.939 -10.484 -2.399 117 H TYR 36 H TYR 36 20.699 -3.517 3.476 118 HA TYR 36 HA TYR 36 22.866 -3.796 1.492 119 1HB TYR 36 2HB TYR 36 21.572 -1.510 1.340 120 2HB TYR 36 1HB TYR 36 22.113 -1.225 2.991 121 HD1 TYR 36 HD1 TYR 36 23.514 -2.111 -0.395 122 HD2 TYR 36 HD2 TYR 36 24.181 -0.219 3.359 123 HE1 TYR 36 HE1 TYR 36 25.681 -1.285 -1.192 124 HE2 TYR 36 HE2 TYR 36 26.341 0.609 2.562 125 HH TYR 36 HH TYR 36 27.555 1.009 0.623 126 1HT TYR 36 1HT TYR 36 22.891 -5.496 3.492 127 2HT TYR 36 2HT TYR 36 23.824 -4.978 4.816 Start of MODEL 11 1 1H ACE 24 1HA ACE 24 1.397 0.282 -4.125 2 2H ACE 24 2HA ACE 24 0.020 1.305 -3.720 3 3H ACE 24 3HA ACE 24 0.652 0.175 -2.529 4 H ALA 24 H ALA 24 1.946 1.145 -1.011 5 HA ALA 24 HA ALA 24 2.902 3.890 -1.476 6 1HB ALA 24 1HB ALA 24 3.244 2.044 0.932 7 2HB ALA 24 2HB ALA 24 1.969 3.244 0.732 8 3HB ALA 24 3HB ALA 24 3.642 3.750 0.891 9 H ARG 25 H ARG 25 4.035 2.164 -3.209 10 HA ARG 25 HA ARG 25 6.461 0.928 -2.830 11 1HB ARG 25 2HB ARG 25 6.981 1.634 -5.169 12 2HB ARG 25 1HB ARG 25 5.351 1.024 -4.994 13 1HG ARG 25 2HG ARG 25 4.943 3.731 -4.500 14 2HG ARG 25 1HG ARG 25 6.322 3.804 -5.568 15 1HD ARG 25 2HD ARG 25 5.080 2.445 -7.247 16 2HD ARG 25 1HD ARG 25 3.673 2.397 -6.209 17 HE ARG 25 HE ARG 25 4.682 4.675 -7.733 18 1HH1 ARG 25 1HH2 ARG 25 2.826 3.660 -5.023 19 2HH1 ARG 25 2HH2 ARG 25 1.815 5.022 -4.956 20 1HH2 ARG 25 2HH1 ARG 25 3.435 6.543 -7.730 21 2HH2 ARG 25 1HH1 ARG 25 2.205 6.765 -6.563 22 H HIS 26 H HIS 26 6.006 4.404 -2.983 23 HA HIS 26 HA HIS 26 8.690 5.205 -3.088 24 1HB HIS 26 2HB HIS 26 6.445 6.556 -1.503 25 2HB HIS 26 1HB HIS 26 7.878 7.356 -2.120 26 HD1 HIS 26 HD1 HIS 26 8.049 6.966 -4.931 27 HD2 HIS 26 HD2 HIS 26 4.336 6.879 -3.070 28 HE1 HIS 26 HE1 HIS 26 6.272 7.391 -6.642 29 H TYR 27 H TYR 27 6.957 3.927 -0.602 30 HA TYR 27 HA TYR 27 9.028 4.427 1.495 31 1HB TYR 27 2HB TYR 27 6.138 3.565 1.550 32 2HB TYR 27 1HB TYR 27 7.171 3.050 2.849 33 HD1 TYR 27 HD1 TYR 27 6.776 6.346 1.003 34 HD2 TYR 27 HD2 TYR 27 6.837 4.332 4.755 35 HE1 TYR 27 HE1 TYR 27 6.420 8.483 2.179 36 HE2 TYR 27 HE2 TYR 27 6.489 6.454 5.902 37 HH TYR 27 HH TYR 27 6.917 8.915 5.426 38 H LYS 28 H LYS 28 9.017 2.476 -0.803 39 HA LYS 28 HA LYS 28 9.391 -0.164 0.566 40 1HB LYS 28 2HB LYS 28 8.423 0.354 -1.930 41 2HB LYS 28 1HB LYS 28 10.121 0.265 -2.347 42 1HG LYS 28 2HG LYS 28 10.054 -2.001 -0.997 43 2HG LYS 28 1HG LYS 28 8.322 -1.834 -1.120 44 1HD LYS 28 2HD LYS 28 9.060 -3.220 -2.907 45 2HD LYS 28 1HD LYS 28 8.463 -1.727 -3.607 46 1HE LYS 28 2HE LYS 28 10.697 -2.592 -4.533 47 2HE LYS 28 1HE LYS 28 10.761 -0.915 -4.002 48 1HZ LYS 28 HZ LYS 28 11.651 -3.255 -2.347 49 H ASN 29 H ASN 29 11.015 2.321 -1.190 50 HA ASN 29 HA ASN 29 13.655 1.621 -1.414 51 1HB ASN 29 2HB ASN 29 12.632 3.845 -2.058 52 2HB ASN 29 1HB ASN 29 12.787 4.366 -0.383 53 1HD2 ASN 29 1HD2 ASN 29 14.953 4.906 0.359 54 2HD2 ASN 29 2HD2 ASN 29 16.287 4.826 -0.698 55 H LEU 30 H LEU 30 12.230 3.131 1.357 56 HA LEU 30 HA LEU 30 14.376 3.209 3.172 57 1HB LEU 30 2HB LEU 30 11.424 2.785 3.848 58 2HB LEU 30 1HB LEU 30 12.642 3.440 4.919 59 HG LEU 30 HG LEU 30 11.779 4.777 2.290 60 1HD1 LEU 30 1HD1 LEU 30 9.975 4.803 4.014 61 2HD1 LEU 30 2HD1 LEU 30 10.641 6.396 3.741 62 3HD1 LEU 30 3HD1 LEU 30 11.104 5.487 5.168 63 1HD2 LEU 30 1HD2 LEU 30 13.538 5.791 4.573 64 2HD2 LEU 30 2HD2 LEU 30 13.069 6.717 3.166 65 3HD2 LEU 30 3HD2 LEU 30 14.128 5.334 2.989 66 H ILE 31 H ILE 31 12.291 0.601 2.367 67 HA ILE 31 HA ILE 31 13.404 -1.137 4.495 68 HB ILE 31 HB ILE 31 11.249 -1.664 2.370 69 1HG1 ILE 31 2HG1 ILE 31 10.897 -1.097 5.359 70 2HG1 ILE 31 1HG1 ILE 31 10.758 0.160 4.148 71 1HG2 ILE 31 1HG2 ILE 31 11.985 -3.250 4.894 72 2HG2 ILE 31 2HG2 ILE 31 12.323 -3.762 3.251 73 3HG2 ILE 31 3HG2 ILE 31 10.672 -3.637 3.801 74 1HD1 ILE 31 1HD1 ILE 31 9.022 -2.340 4.214 75 2HD1 ILE 31 2HD1 ILE 31 8.933 -1.046 3.027 76 3HD1 ILE 31 3HD1 ILE 31 8.537 -0.728 4.700 77 H GLU 32 H GLU 32 13.873 -0.231 1.335 78 HA GLU 32 HA GLU 32 15.334 -2.719 0.566 79 1HB GLU 32 2HB GLU 32 14.497 -0.221 -0.974 80 2HB GLU 32 1HB GLU 32 15.456 -1.501 -1.689 81 1HG GLU 32 2HG GLU 32 13.692 -3.088 -1.501 82 2HG GLU 32 1HG GLU 32 12.869 -2.199 -0.237 83 H ARG 33 H ARG 33 16.052 -0.781 2.564 84 HA ARG 33 HA ARG 33 18.662 0.248 1.565 85 1HB ARG 33 2HB ARG 33 17.173 1.858 2.820 86 2HB ARG 33 1HB ARG 33 17.066 0.772 4.173 87 1HG ARG 33 2HG ARG 33 18.667 2.508 4.721 88 2HG ARG 33 1HG ARG 33 19.535 1.000 4.540 89 1HD ARG 33 2HD ARG 33 20.367 1.603 2.351 90 2HD ARG 33 1HD ARG 33 19.290 2.974 2.228 91 HE ARG 33 HE ARG 33 21.547 2.700 4.193 92 1HH1 ARG 33 1HH2 ARG 33 19.590 4.704 2.164 93 2HH1 ARG 33 2HH2 ARG 33 20.436 6.147 2.503 94 1HH2 ARG 33 2HH1 ARG 33 22.684 4.542 4.676 95 2HH2 ARG 33 1HH1 ARG 33 22.271 6.055 3.981 96 H GLN 34 H GLN 34 17.257 -1.206 4.352 97 HA GLN 34 HA GLN 34 19.167 -2.487 5.731 98 1HB GLN 34 2HB GLN 34 16.468 -3.622 4.876 99 2HB GLN 34 1HB GLN 34 17.516 -4.512 5.956 100 1HG GLN 34 2HG GLN 34 15.873 -3.213 7.284 101 2HG GLN 34 1HG GLN 34 17.490 -2.606 7.575 102 1HE2 GLN 34 1HE2 GLN 34 14.346 -1.702 6.420 103 2HE2 GLN 34 2HE2 GLN 34 14.792 -0.126 5.940 104 H ARG 35 H ARG 35 17.909 -3.909 2.748 105 HA ARG 35 HA ARG 35 19.955 -6.015 2.883 106 1HB ARG 35 2HB ARG 35 17.460 -6.316 2.139 107 2HB ARG 35 1HB ARG 35 17.986 -5.630 0.608 108 1HG ARG 35 2HG ARG 35 19.886 -7.492 0.740 109 2HG ARG 35 1HG ARG 35 18.844 -8.228 1.938 110 1HD ARG 35 2HD ARG 35 16.958 -8.146 0.263 111 2HD ARG 35 1HD ARG 35 18.068 -7.591 -0.961 112 HE ARG 35 HE ARG 35 17.958 -10.281 0.275 113 1HH1 ARG 35 1HH2 ARG 35 19.753 -8.097 -1.702 114 2HH1 ARG 35 2HH2 ARG 35 20.631 -9.304 -2.529 115 1HH2 ARG 35 2HH1 ARG 35 19.095 -11.911 -0.706 116 2HH2 ARG 35 1HH1 ARG 35 20.255 -11.574 -1.910 117 H TYR 36 H TYR 36 20.851 -3.321 2.428 118 HA TYR 36 HA TYR 36 22.074 -3.550 -0.263 119 1HB TYR 36 2HB TYR 36 20.525 -1.501 0.262 120 2HB TYR 36 1HB TYR 36 21.741 -1.009 1.422 121 HD1 TYR 36 HD1 TYR 36 24.130 -0.458 0.546 122 HD2 TYR 36 HD2 TYR 36 20.798 -1.007 -2.062 123 HE1 TYR 36 HE1 TYR 36 25.338 0.670 -1.237 124 HE2 TYR 36 HE2 TYR 36 22.038 0.137 -3.846 125 HH TYR 36 HH TYR 36 25.120 0.529 -4.018 126 1HT TYR 36 1HT TYR 36 23.256 -5.150 1.383 127 2HT TYR 36 2HT TYR 36 24.620 -4.494 2.167 Start of MODEL 12 1 1H ACE 24 1HA ACE 24 0.525 0.505 -1.621 2 2H ACE 24 2HA ACE 24 -0.854 1.520 -1.209 3 3H ACE 24 3HA ACE 24 0.226 0.954 0.062 4 H ALA 24 H ALA 24 1.672 2.455 0.713 5 HA ALA 24 HA ALA 24 2.092 4.887 -0.891 6 1HB ALA 24 1HB ALA 24 3.386 5.643 1.109 7 2HB ALA 24 2HB ALA 24 3.231 4.047 1.816 8 3HB ALA 24 3HB ALA 24 1.801 5.048 1.577 9 H ARG 25 H ARG 25 2.935 3.147 -2.403 10 HA ARG 25 HA ARG 25 5.213 1.776 -2.633 11 1HB ARG 25 2HB ARG 25 3.710 2.386 -4.563 12 2HB ARG 25 1HB ARG 25 4.514 3.942 -4.675 13 1HG ARG 25 2HG ARG 25 6.678 2.101 -4.688 14 2HG ARG 25 1HG ARG 25 5.436 1.249 -5.563 15 1HD ARG 25 2HD ARG 25 6.321 4.084 -6.261 16 2HD ARG 25 1HD ARG 25 6.949 2.632 -6.994 17 HE ARG 25 HE ARG 25 4.027 3.327 -7.063 18 1HH1 ARG 25 1HH2 ARG 25 6.928 2.339 -8.746 19 2HH1 ARG 25 2HH2 ARG 25 6.131 2.110 -10.234 20 1HH2 ARG 25 2HH1 ARG 25 2.982 3.023 -9.051 21 2HH2 ARG 25 1HH1 ARG 25 3.878 2.518 -10.413 22 H HIS 26 H HIS 26 5.280 5.286 -2.842 23 HA HIS 26 HA HIS 26 8.074 5.586 -3.253 24 1HB HIS 26 2HB HIS 26 6.113 7.339 -3.423 25 2HB HIS 26 1HB HIS 26 6.404 7.621 -1.716 26 HD1 HIS 26 HD1 HIS 26 9.250 7.976 -1.358 27 HD2 HIS 26 HD2 HIS 26 7.413 9.046 -4.924 28 HE1 HIS 26 HE1 HIS 26 10.697 9.635 -2.555 29 H TYR 27 H TYR 27 6.819 4.172 -0.640 30 HA TYR 27 HA TYR 27 9.006 5.082 1.157 31 1HB TYR 27 2HB TYR 27 6.536 5.383 1.912 32 2HB TYR 27 1HB TYR 27 6.413 3.637 1.919 33 HD1 TYR 27 HD1 TYR 27 8.468 6.417 3.325 34 HD2 TYR 27 HD2 TYR 27 7.018 2.450 3.910 35 HE1 TYR 27 HE1 TYR 27 9.404 6.398 5.598 36 HE2 TYR 27 HE2 TYR 27 7.955 2.443 6.173 37 HH TYR 27 HH TYR 27 8.558 4.401 7.928 38 H LYS 28 H LYS 28 8.229 2.842 -0.833 39 HA LYS 28 HA LYS 28 8.883 0.350 0.449 40 1HB LYS 28 2HB LYS 28 7.662 0.494 -1.732 41 2HB LYS 28 1HB LYS 28 9.118 1.060 -2.522 42 1HG LYS 28 2HG LYS 28 9.097 -1.602 -1.048 43 2HG LYS 28 1HG LYS 28 8.504 -1.493 -2.686 44 1HD LYS 28 2HD LYS 28 10.640 -0.890 -3.565 45 2HD LYS 28 1HD LYS 28 11.341 -0.523 -2.010 46 1HE LYS 28 2HE LYS 28 10.887 -2.967 -1.369 47 2HE LYS 28 1HE LYS 28 10.602 -3.231 -3.089 48 1HZ LYS 28 HZ LYS 28 12.922 -2.400 -3.502 49 H ASN 29 H ASN 29 10.856 2.380 -1.615 50 HA ASN 29 HA ASN 29 13.237 1.183 -1.937 51 1HB ASN 29 2HB ASN 29 12.774 3.634 -2.400 52 2HB ASN 29 1HB ASN 29 13.090 3.977 -0.705 53 1HD2 ASN 29 1HD2 ASN 29 14.599 3.781 -3.739 54 2HD2 ASN 29 2HD2 ASN 29 16.197 3.687 -3.169 55 H LEU 30 H LEU 30 12.463 2.684 1.154 56 HA LEU 30 HA LEU 30 14.725 2.165 2.628 57 1HB LEU 30 2HB LEU 30 11.798 2.014 3.429 58 2HB LEU 30 1HB LEU 30 13.074 1.857 4.617 59 HG LEU 30 HG LEU 30 12.970 4.236 2.693 60 1HD1 LEU 30 1HD1 LEU 30 11.890 5.485 4.554 61 2HD1 LEU 30 2HD1 LEU 30 11.784 4.016 5.507 62 3HD1 LEU 30 3HD1 LEU 30 10.870 4.160 4.020 63 1HD2 LEU 30 1HD2 LEU 30 14.417 5.255 4.435 64 2HD2 LEU 30 2HD2 LEU 30 15.153 3.768 3.880 65 3HD2 LEU 30 3HD2 LEU 30 14.310 3.804 5.416 66 H ILE 31 H ILE 31 12.212 -0.221 2.039 67 HA ILE 31 HA ILE 31 13.256 -2.252 3.742 68 HB ILE 31 HB ILE 31 11.590 -2.457 1.151 69 1HG1 ILE 31 2HG1 ILE 31 10.763 -2.241 4.098 70 2HG1 ILE 31 1HG1 ILE 31 10.561 -0.987 2.895 71 1HG2 ILE 31 1HG2 ILE 31 12.571 -4.673 1.853 72 2HG2 ILE 31 2HG2 ILE 31 10.835 -4.662 2.043 73 3HG2 ILE 31 3HG2 ILE 31 11.870 -4.471 3.450 74 1HD1 ILE 31 1HD1 ILE 31 9.178 -3.696 2.860 75 2HD1 ILE 31 2HD1 ILE 31 9.054 -2.482 1.593 76 3HD1 ILE 31 3HD1 ILE 31 8.440 -2.148 3.205 77 H GLU 32 H GLU 32 14.371 -1.076 0.847 78 HA GLU 32 HA GLU 32 16.146 -3.431 0.340 79 1HB GLU 32 2HB GLU 32 15.307 -1.039 -1.357 80 2HB GLU 32 1HB GLU 32 16.745 -1.936 -1.774 81 1HG GLU 32 2HG GLU 32 14.975 -2.831 -3.130 82 2HG GLU 32 1HG GLU 32 15.284 -4.022 -1.890 83 H ARG 33 H ARG 33 16.250 -1.078 2.352 84 HA ARG 33 HA ARG 33 18.979 -0.108 1.721 85 1HB ARG 33 2HB ARG 33 16.995 1.480 2.396 86 2HB ARG 33 1HB ARG 33 17.198 0.857 4.011 87 1HG ARG 33 2HG ARG 33 18.444 2.990 3.725 88 2HG ARG 33 1HG ARG 33 19.544 1.674 4.084 89 1HD ARG 33 2HD ARG 33 20.289 1.517 1.798 90 2HD ARG 33 1HD ARG 33 18.906 2.396 1.199 91 HE ARG 33 HE ARG 33 21.132 3.566 2.859 92 1HH1 ARG 33 1HH2 ARG 33 18.774 3.879 0.323 93 2HH1 ARG 33 2HH2 ARG 33 19.252 5.469 -0.109 94 1HH2 ARG 33 2HH1 ARG 33 21.773 5.626 2.334 95 2HH2 ARG 33 1HH1 ARG 33 21.002 6.507 1.090 96 H GLN 34 H GLN 34 17.154 -1.455 4.323 97 HA GLN 34 HA GLN 34 19.010 -1.868 6.330 98 1HB GLN 34 2HB GLN 34 16.651 -2.708 6.443 99 2HB GLN 34 1HB GLN 34 17.034 -3.991 5.314 100 1HG GLN 34 2HG GLN 34 18.661 -4.944 6.979 101 2HG GLN 34 1HG GLN 34 18.306 -3.610 8.068 102 1HE2 GLN 34 1HE2 GLN 34 17.225 -6.722 7.045 103 2HE2 GLN 34 2HE2 GLN 34 15.785 -6.721 7.956 104 H ARG 35 H ARG 35 18.614 -4.141 3.658 105 HA ARG 35 HA ARG 35 21.195 -5.408 4.251 106 1HB ARG 35 2HB ARG 35 19.022 -6.057 2.199 107 2HB ARG 35 1HB ARG 35 20.494 -6.970 2.328 108 1HG ARG 35 2HG ARG 35 18.471 -6.688 4.593 109 2HG ARG 35 1HG ARG 35 18.509 -8.037 3.474 110 1HD ARG 35 2HD ARG 35 21.017 -8.307 4.229 111 2HD ARG 35 1HD ARG 35 20.565 -7.303 5.595 112 HE ARG 35 HE ARG 35 18.722 -8.963 6.065 113 1HH1 ARG 35 1HH2 ARG 35 21.571 -9.993 4.366 114 2HH1 ARG 35 2HH2 ARG 35 21.419 -11.631 4.824 115 1HH2 ARG 35 2HH1 ARG 35 18.484 -11.074 6.674 116 2HH2 ARG 35 1HH1 ARG 35 19.610 -12.263 6.184 117 H TYR 36 H TYR 36 21.546 -2.805 3.431 118 HA TYR 36 HA TYR 36 22.523 -3.077 0.635 119 1HB TYR 36 2HB TYR 36 20.755 -1.285 1.366 120 2HB TYR 36 1HB TYR 36 22.107 -0.444 2.108 121 HD1 TYR 36 HD1 TYR 36 24.152 0.068 0.476 122 HD2 TYR 36 HD2 TYR 36 20.243 -0.959 -0.873 123 HE1 TYR 36 HE1 TYR 36 24.650 1.029 -1.716 124 HE2 TYR 36 HE2 TYR 36 20.753 0.011 -3.060 125 HH TYR 36 HH TYR 36 23.854 0.791 -4.072 126 1HT TYR 36 1HT TYR 36 24.175 -4.326 2.235 127 2HT TYR 36 2HT TYR 36 25.537 -3.393 2.675 Start of MODEL 13 1 1H ACE 24 1HA ACE 24 1.448 -0.319 -3.159 2 2H ACE 24 2HA ACE 24 0.063 0.073 -2.137 3 3H ACE 24 3HA ACE 24 1.396 -0.866 -1.480 4 H ALA 24 H ALA 24 2.755 0.328 -0.235 5 HA ALA 24 HA ALA 24 2.649 3.274 -0.353 6 1HB ALA 24 1HB ALA 24 2.672 2.095 1.835 7 2HB ALA 24 2HB ALA 24 4.076 3.123 1.666 8 3HB ALA 24 3HB ALA 24 4.238 1.390 1.449 9 H ARG 25 H ARG 25 3.403 2.787 -2.580 10 HA ARG 25 HA ARG 25 5.840 2.087 -3.571 11 1HB ARG 25 2HB ARG 25 3.826 4.212 -4.289 12 2HB ARG 25 1HB ARG 25 5.396 4.394 -5.031 13 1HG ARG 25 2HG ARG 25 3.893 3.074 -6.471 14 2HG ARG 25 1HG ARG 25 5.308 2.173 -6.008 15 1HD ARG 25 2HD ARG 25 3.545 0.561 -5.740 16 2HD ARG 25 1HD ARG 25 3.841 1.127 -4.137 17 HE ARG 25 HE ARG 25 1.820 2.361 -4.107 18 1HH1 ARG 25 1HH2 ARG 25 2.401 0.868 -7.134 19 2HH1 ARG 25 2HH2 ARG 25 0.782 0.954 -7.693 20 1HH2 ARG 25 2HH1 ARG 25 -0.297 2.559 -4.732 21 2HH2 ARG 25 1HH1 ARG 25 -0.809 2.012 -6.272 22 H HIS 26 H HIS 26 5.398 5.512 -2.569 23 HA HIS 26 HA HIS 26 8.285 5.904 -2.652 24 1HB HIS 26 2HB HIS 26 6.107 7.650 -1.416 25 2HB HIS 26 1HB HIS 26 7.770 8.144 -1.682 26 HD1 HIS 26 HD1 HIS 26 5.947 9.878 -3.140 27 HD2 HIS 26 HD2 HIS 26 7.110 6.213 -4.735 28 HE1 HIS 26 HE1 HIS 26 5.603 9.912 -5.607 29 H TYR 27 H TYR 27 7.032 3.905 -0.738 30 HA TYR 27 HA TYR 27 8.687 4.595 1.608 31 1HB TYR 27 2HB TYR 27 5.925 4.736 1.669 32 2HB TYR 27 1HB TYR 27 6.154 3.030 2.005 33 HD1 TYR 27 HD1 TYR 27 7.762 2.395 3.968 34 HD2 TYR 27 HD2 TYR 27 6.125 6.292 3.423 35 HE1 TYR 27 HE1 TYR 27 8.217 2.910 6.301 36 HE2 TYR 27 HE2 TYR 27 6.580 6.798 5.770 37 HH TYR 27 HH TYR 27 8.558 4.942 7.735 38 H LYS 28 H LYS 28 8.517 2.837 -0.895 39 HA LYS 28 HA LYS 28 8.899 0.129 0.281 40 1HB LYS 28 2HB LYS 28 7.593 0.239 -1.744 41 2HB LYS 28 1HB LYS 28 8.831 1.126 -2.596 42 1HG LYS 28 2HG LYS 28 9.695 -1.531 -1.449 43 2HG LYS 28 1HG LYS 28 8.529 -1.608 -2.746 44 1HD LYS 28 2HD LYS 28 9.961 -0.306 -4.206 45 2HD LYS 28 1HD LYS 28 11.136 -0.031 -2.954 46 1HE LYS 28 2HE LYS 28 10.394 -2.818 -3.896 47 2HE LYS 28 1HE LYS 28 11.774 -1.906 -4.500 48 1HZ LYS 28 HZ LYS 28 11.395 -2.658 -1.623 49 H ASN 29 H ASN 29 10.758 2.115 -1.936 50 HA ASN 29 HA ASN 29 13.173 0.974 -2.176 51 1HB ASN 29 2HB ASN 29 12.762 3.277 -2.970 52 2HB ASN 29 1HB ASN 29 12.787 3.897 -1.336 53 1HD2 ASN 29 1HD2 ASN 29 15.291 1.532 -1.598 54 2HD2 ASN 29 2HD2 ASN 29 16.519 2.643 -1.963 55 H LEU 30 H LEU 30 12.464 2.887 0.636 56 HA LEU 30 HA LEU 30 14.679 2.656 2.246 57 1HB LEU 30 2HB LEU 30 11.838 2.327 3.318 58 2HB LEU 30 1HB LEU 30 13.205 3.018 4.155 59 HG LEU 30 HG LEU 30 11.824 4.259 1.709 60 1HD1 LEU 30 1HD1 LEU 30 11.036 5.932 3.311 61 2HD1 LEU 30 2HD1 LEU 30 11.801 5.071 4.637 62 3HD1 LEU 30 3HD1 LEU 30 10.467 4.341 3.762 63 1HD2 LEU 30 1HD2 LEU 30 14.051 5.388 3.476 64 2HD2 LEU 30 2HD2 LEU 30 13.250 6.225 2.161 65 3HD2 LEU 30 3HD2 LEU 30 14.271 4.848 1.817 66 H ILE 31 H ILE 31 12.046 0.331 2.208 67 HA ILE 31 HA ILE 31 13.121 -1.485 4.123 68 HB ILE 31 HB ILE 31 11.267 -1.971 1.725 69 1HG1 ILE 31 2HG1 ILE 31 10.574 -1.288 4.642 70 2HG1 ILE 31 1HG1 ILE 31 10.464 -0.160 3.308 71 1HG2 ILE 31 1HG2 ILE 31 10.383 -3.937 3.041 72 2HG2 ILE 31 2HG2 ILE 31 11.566 -3.625 4.295 73 3HG2 ILE 31 3HG2 ILE 31 12.078 -4.145 2.704 74 1HD1 ILE 31 1HD1 ILE 31 8.238 -1.056 3.806 75 2HD1 ILE 31 2HD1 ILE 31 8.798 -2.698 3.583 76 3HD1 ILE 31 3HD1 ILE 31 8.751 -1.595 2.216 77 H GLU 32 H GLU 32 14.218 -0.846 1.072 78 HA GLU 32 HA GLU 32 15.624 -3.491 0.871 79 1HB GLU 32 2HB GLU 32 15.223 -1.299 -1.219 80 2HB GLU 32 1HB GLU 32 15.931 -2.872 -1.520 81 1HG GLU 32 2HG GLU 32 13.833 -4.029 -1.089 82 2HG GLU 32 1HG GLU 32 13.109 -2.624 -0.331 83 H ARG 33 H ARG 33 16.183 -1.073 2.531 84 HA ARG 33 HA ARG 33 18.921 -0.342 1.659 85 1HB ARG 33 2HB ARG 33 17.578 1.577 2.473 86 2HB ARG 33 1HB ARG 33 17.075 0.680 3.883 87 1HG ARG 33 2HG ARG 33 18.689 2.196 4.721 88 2HG ARG 33 1HG ARG 33 19.490 0.658 4.688 89 1HD ARG 33 2HD ARG 33 21.086 2.261 3.814 90 2HD ARG 33 1HD ARG 33 20.502 1.263 2.486 91 HE ARG 33 HE ARG 33 19.084 3.816 3.061 92 1HH1 ARG 33 1HH2 ARG 33 21.285 2.084 1.031 93 2HH1 ARG 33 2HH2 ARG 33 21.107 3.127 -0.312 94 1HH2 ARG 33 2HH1 ARG 33 18.847 5.247 1.348 95 2HH2 ARG 33 1HH1 ARG 33 19.706 5.012 -0.107 96 H GLN 34 H GLN 34 17.143 -1.769 4.256 97 HA GLN 34 HA GLN 34 18.858 -2.437 6.232 98 1HB GLN 34 2HB GLN 34 17.806 -4.675 6.468 99 2HB GLN 34 1HB GLN 34 16.618 -3.438 6.192 100 1HG GLN 34 2HG GLN 34 16.200 -4.174 3.932 101 2HG GLN 34 1HG GLN 34 17.626 -5.211 3.900 102 1HE2 GLN 34 1HE2 GLN 34 17.135 -7.398 4.361 103 2HE2 GLN 34 2HE2 GLN 34 15.809 -7.875 5.311 104 H ARG 35 H ARG 35 19.070 -4.089 3.107 105 HA ARG 35 HA ARG 35 21.313 -5.719 4.011 106 1HB ARG 35 2HB ARG 35 21.381 -6.452 1.604 107 2HB ARG 35 1HB ARG 35 19.828 -6.666 2.359 108 1HG ARG 35 2HG ARG 35 19.466 -5.863 0.105 109 2HG ARG 35 1HG ARG 35 18.983 -4.585 1.190 110 1HD ARG 35 2HD ARG 35 20.849 -3.236 0.664 111 2HD ARG 35 1HD ARG 35 21.803 -4.579 0.074 112 HE ARG 35 HE ARG 35 19.384 -3.443 -1.285 113 1HH1 ARG 35 1HH2 ARG 35 22.502 -5.001 -1.462 114 2HH1 ARG 35 2HH2 ARG 35 22.563 -5.031 -3.160 115 1HH2 ARG 35 2HH1 ARG 35 19.422 -3.458 -3.525 116 2HH2 ARG 35 1HH1 ARG 35 20.737 -4.140 -4.387 117 H TYR 36 H TYR 36 21.701 -2.924 4.276 118 HA TYR 36 HA TYR 36 24.123 -2.515 2.636 119 1HB TYR 36 2HB TYR 36 22.120 -1.004 2.060 120 2HB TYR 36 1HB TYR 36 22.180 -0.413 3.705 121 HD1 TYR 36 HD1 TYR 36 24.127 0.985 4.471 122 HD2 TYR 36 HD2 TYR 36 23.703 -0.199 0.401 123 HE1 TYR 36 HE1 TYR 36 25.734 2.693 3.808 124 HE2 TYR 36 HE2 TYR 36 25.324 1.524 -0.255 125 HH TYR 36 HH TYR 36 27.354 3.077 1.840 126 1HT TYR 36 1HT TYR 36 24.967 -3.813 4.614 127 2HT TYR 36 2HT TYR 36 25.270 -2.934 6.037 Start of MODEL 14 1 1H ACE 24 1HA ACE 24 1.738 6.928 -3.476 2 2H ACE 24 2HA ACE 24 1.947 8.139 -2.211 3 3H ACE 24 3HA ACE 24 0.647 6.956 -2.091 4 H ALA 24 H ALA 24 1.072 5.388 -0.710 5 HA ALA 24 HA ALA 24 3.103 4.843 0.924 6 1HB ALA 24 1HB ALA 24 1.605 2.677 -0.620 7 2HB ALA 24 2HB ALA 24 1.052 3.454 0.855 8 3HB ALA 24 3HB ALA 24 2.473 2.427 0.887 9 H ARG 25 H ARG 25 3.036 3.555 -2.261 10 HA ARG 25 HA ARG 25 5.204 1.952 -2.568 11 1HB ARG 25 2HB ARG 25 5.510 2.754 -4.849 12 2HB ARG 25 1HB ARG 25 3.803 2.700 -4.482 13 1HG ARG 25 2HG ARG 25 3.759 5.162 -4.146 14 2HG ARG 25 1HG ARG 25 5.498 5.254 -4.384 15 1HD ARG 25 2HD ARG 25 5.111 4.167 -6.707 16 2HD ARG 25 1HD ARG 25 3.419 4.457 -6.429 17 HE ARG 25 HE ARG 25 3.772 6.823 -6.358 18 1HH1 ARG 25 1HH2 ARG 25 6.592 5.017 -7.250 19 2HH1 ARG 25 2HH2 ARG 25 7.367 6.326 -8.032 20 1HH2 ARG 25 2HH1 ARG 25 4.752 8.576 -7.323 21 2HH2 ARG 25 1HH1 ARG 25 6.292 8.427 -8.044 22 H HIS 26 H HIS 26 5.422 5.377 -2.137 23 HA HIS 26 HA HIS 26 8.108 5.868 -2.686 24 1HB HIS 26 2HB HIS 26 6.359 7.621 -2.094 25 2HB HIS 26 1HB HIS 26 6.306 7.007 -0.460 26 HD1 HIS 26 HD1 HIS 26 9.202 8.221 -2.626 27 HD2 HIS 26 HD2 HIS 26 7.512 8.692 1.148 28 HE1 HIS 26 HE1 HIS 26 10.572 9.839 -1.313 29 H TYR 27 H TYR 27 6.955 4.135 -0.135 30 HA TYR 27 HA TYR 27 9.551 4.183 1.295 31 1HB TYR 27 2HB TYR 27 6.813 3.062 1.977 32 2HB TYR 27 1HB TYR 27 8.217 2.630 2.913 33 HD1 TYR 27 HD1 TYR 27 6.473 3.559 4.628 34 HD2 TYR 27 HD2 TYR 27 8.629 6.084 1.946 35 HE1 TYR 27 HE1 TYR 27 6.088 5.453 6.109 36 HE2 TYR 27 HE2 TYR 27 8.236 7.979 3.449 37 HH TYR 27 HH TYR 27 6.799 7.622 6.612 38 H LYS 28 H LYS 28 8.633 2.646 -1.186 39 HA LYS 28 HA LYS 28 9.135 -0.168 -0.654 40 1HB LYS 28 2HB LYS 28 8.053 0.483 -2.772 41 2HB LYS 28 1HB LYS 28 9.470 1.389 -3.258 42 1HG LYS 28 2HG LYS 28 9.962 -1.500 -2.516 43 2HG LYS 28 1HG LYS 28 9.053 -1.239 -3.982 44 1HD LYS 28 2HD LYS 28 10.787 -0.016 -4.996 45 2HD LYS 28 1HD LYS 28 11.672 0.258 -3.523 46 1HE LYS 28 2HE LYS 28 11.259 -2.549 -4.654 47 2HE LYS 28 1HE LYS 28 12.694 -1.570 -4.964 48 1HZ LYS 28 HZ LYS 28 11.787 -2.166 -2.180 49 H ASN 29 H ASN 29 11.126 2.406 -1.926 50 HA ASN 29 HA ASN 29 13.595 1.062 -2.171 51 1HB ASN 29 2HB ASN 29 13.134 3.501 -2.804 52 2HB ASN 29 1HB ASN 29 13.315 3.930 -1.112 53 1HD2 ASN 29 1HD2 ASN 29 15.032 3.716 -3.979 54 2HD2 ASN 29 2HD2 ASN 29 16.591 3.583 -3.315 55 H LEU 30 H LEU 30 12.553 2.901 0.607 56 HA LEU 30 HA LEU 30 14.471 2.570 2.492 57 1HB LEU 30 2HB LEU 30 11.498 2.181 3.057 58 2HB LEU 30 1HB LEU 30 12.714 2.625 4.230 59 HG LEU 30 HG LEU 30 11.765 4.318 1.865 60 1HD1 LEU 30 1HD1 LEU 30 11.665 4.758 4.888 61 2HD1 LEU 30 2HD1 LEU 30 10.308 4.291 3.880 62 3HD1 LEU 30 3HD1 LEU 30 11.050 5.862 3.670 63 1HD2 LEU 30 1HD2 LEU 30 13.351 6.050 2.647 64 2HD2 LEU 30 2HD2 LEU 30 14.243 4.635 2.151 65 3HD2 LEU 30 3HD2 LEU 30 13.989 4.959 3.861 66 H ILE 31 H ILE 31 11.889 0.131 2.269 67 HA ILE 31 HA ILE 31 13.062 -1.625 4.180 68 HB ILE 31 HB ILE 31 11.239 -2.258 1.781 69 1HG1 ILE 31 2HG1 ILE 31 10.659 -1.513 4.699 70 2HG1 ILE 31 1HG1 ILE 31 10.245 -0.573 3.281 71 1HG2 ILE 31 1HG2 ILE 31 10.570 -4.315 3.038 72 2HG2 ILE 31 2HG2 ILE 31 11.696 -3.913 4.325 73 3HG2 ILE 31 3HG2 ILE 31 12.285 -4.362 2.738 74 1HD1 ILE 31 1HD1 ILE 31 9.054 -3.284 4.002 75 2HD1 ILE 31 2HD1 ILE 31 8.692 -2.379 2.541 76 3HD1 ILE 31 3HD1 ILE 31 8.258 -1.731 4.114 77 H GLU 32 H GLU 32 14.085 -0.938 1.100 78 HA GLU 32 HA GLU 32 15.695 -3.471 0.913 79 1HB GLU 32 2HB GLU 32 15.478 -1.234 -1.152 80 2HB GLU 32 1HB GLU 32 16.115 -2.837 -1.416 81 1HG GLU 32 2HG GLU 32 13.867 -3.821 -1.140 82 2HG GLU 32 1HG GLU 32 13.222 -2.262 -0.645 83 H ARG 33 H ARG 33 16.021 -0.992 2.675 84 HA ARG 33 HA ARG 33 18.716 -0.196 1.742 85 1HB ARG 33 2HB ARG 33 16.870 1.527 2.552 86 2HB ARG 33 1HB ARG 33 17.280 0.988 4.161 87 1HG ARG 33 2HG ARG 33 18.608 3.004 3.609 88 2HG ARG 33 1HG ARG 33 19.673 1.623 3.787 89 1HD ARG 33 2HD ARG 33 19.837 1.343 1.337 90 2HD ARG 33 1HD ARG 33 18.564 2.495 1.072 91 HE ARG 33 HE ARG 33 21.261 3.091 2.259 92 1HH1 ARG 33 1HH2 ARG 33 18.576 4.006 0.218 93 2HH1 ARG 33 2HH2 ARG 33 19.300 5.464 -0.290 94 1HH2 ARG 33 2HH1 ARG 33 22.217 4.982 1.624 95 2HH2 ARG 33 1HH1 ARG 33 21.437 6.054 0.547 96 H GLN 34 H GLN 34 17.080 -1.588 4.434 97 HA GLN 34 HA GLN 34 19.108 -1.884 6.329 98 1HB GLN 34 2HB GLN 34 16.749 -2.741 6.619 99 2HB GLN 34 1HB GLN 34 17.061 -4.010 5.452 100 1HG GLN 34 2HG GLN 34 18.681 -5.077 6.972 101 2HG GLN 34 1HG GLN 34 18.594 -3.712 8.077 102 1HE2 GLN 34 1HE2 GLN 34 17.293 -6.808 7.586 103 2HE2 GLN 34 2HE2 GLN 34 15.886 -6.570 8.508 104 H ARG 35 H ARG 35 18.476 -3.812 3.534 105 HA ARG 35 HA ARG 35 20.960 -5.353 3.743 106 1HB ARG 35 2HB ARG 35 18.533 -6.171 3.059 107 2HB ARG 35 1HB ARG 35 18.943 -5.501 1.492 108 1HG ARG 35 2HG ARG 35 21.031 -6.976 1.530 109 2HG ARG 35 1HG ARG 35 20.375 -7.749 2.963 110 1HD ARG 35 2HD ARG 35 18.178 -7.968 1.457 111 2HD ARG 35 1HD ARG 35 19.272 -7.782 0.118 112 HE ARG 35 HE ARG 35 19.229 -9.967 2.144 113 1HH1 ARG 35 1HH2 ARG 35 20.684 -8.677 -0.709 114 2HH1 ARG 35 2HH2 ARG 35 21.384 -10.159 -1.208 115 1HH2 ARG 35 2HH1 ARG 35 20.173 -11.905 1.596 116 2HH2 ARG 35 1HH1 ARG 35 21.121 -12.039 0.180 117 H TYR 36 H TYR 36 21.223 -2.509 3.195 118 HA TYR 36 HA TYR 36 22.509 -2.590 0.526 119 1HB TYR 36 2HB TYR 36 20.365 -1.138 0.691 120 2HB TYR 36 1HB TYR 36 21.252 -0.159 1.852 121 HD1 TYR 36 HD1 TYR 36 23.511 0.946 1.010 122 HD2 TYR 36 HD2 TYR 36 20.593 -0.680 -1.637 123 HE1 TYR 36 HE1 TYR 36 24.479 2.207 -0.827 124 HE2 TYR 36 HE2 TYR 36 21.573 0.604 -3.479 125 HH TYR 36 HH TYR 36 24.556 1.921 -3.449 126 1HT TYR 36 1HT TYR 36 24.426 -3.276 1.781 127 2HT TYR 36 2HT TYR 36 25.297 -2.131 2.688 Start of MODEL 15 1 1H ACE 24 1HA ACE 24 1.603 7.209 -2.487 2 2H ACE 24 2HA ACE 24 2.083 8.131 -1.064 3 3H ACE 24 3HA ACE 24 0.731 7.003 -0.965 4 H ALA 24 H ALA 24 1.252 5.181 0.012 5 HA ALA 24 HA ALA 24 3.469 4.242 1.158 6 1HB ALA 24 1HB ALA 24 1.583 2.463 -0.478 7 2HB ALA 24 2HB ALA 24 1.335 2.977 1.184 8 3HB ALA 24 3HB ALA 24 2.664 1.909 0.790 9 H ARG 25 H ARG 25 2.833 3.667 -2.165 10 HA ARG 25 HA ARG 25 4.850 2.039 -3.062 11 1HB ARG 25 2HB ARG 25 3.092 3.764 -4.372 12 2HB ARG 25 1HB ARG 25 4.620 4.556 -4.709 13 1HG ARG 25 2HG ARG 25 5.519 2.331 -5.553 14 2HG ARG 25 1HG ARG 25 3.932 1.648 -5.312 15 1HD ARG 25 2HD ARG 25 4.085 2.228 -7.623 16 2HD ARG 25 1HD ARG 25 3.000 3.400 -6.932 17 HE ARG 25 HE ARG 25 5.909 3.835 -7.553 18 1HH1 ARG 25 1HH2 ARG 25 2.751 5.169 -7.100 19 2HH1 ARG 25 2HH2 ARG 25 3.182 6.741 -7.624 20 1HH2 ARG 25 2HH1 ARG 25 6.530 5.850 -8.218 21 2HH2 ARG 25 1HH1 ARG 25 5.412 7.139 -8.255 22 H HIS 26 H HIS 26 5.218 5.497 -2.495 23 HA HIS 26 HA HIS 26 8.079 5.496 -3.023 24 1HB HIS 26 2HB HIS 26 6.297 7.561 -1.682 25 2HB HIS 26 1HB HIS 26 7.963 7.841 -2.151 26 HD1 HIS 26 HD1 HIS 26 6.332 9.702 -3.523 27 HD2 HIS 26 HD2 HIS 26 6.629 5.813 -4.956 28 HE1 HIS 26 HE1 HIS 26 5.678 9.678 -5.931 29 H TYR 27 H TYR 27 7.063 3.709 -0.854 30 HA TYR 27 HA TYR 27 9.008 4.565 1.226 31 1HB TYR 27 2HB TYR 27 6.325 4.674 1.705 32 2HB TYR 27 1HB TYR 27 6.528 2.953 1.948 33 HD1 TYR 27 HD1 TYR 27 8.205 2.157 3.751 34 HD2 TYR 27 HD2 TYR 27 7.043 6.231 3.327 35 HE1 TYR 27 HE1 TYR 27 9.050 2.642 5.994 36 HE2 TYR 27 HE2 TYR 27 7.886 6.711 5.570 37 HH TYR 27 HH TYR 27 8.459 5.552 7.665 38 H LYS 28 H LYS 28 8.529 2.659 -1.124 39 HA LYS 28 HA LYS 28 9.065 -0.028 -0.095 40 1HB LYS 28 2HB LYS 28 7.948 0.239 -2.220 41 2HB LYS 28 1HB LYS 28 9.253 1.191 -2.884 42 1HG LYS 28 2HG LYS 28 10.042 -1.535 -1.868 43 2HG LYS 28 1HG LYS 28 8.967 -1.539 -3.242 44 1HD LYS 28 2HD LYS 28 10.449 -0.175 -4.532 45 2HD LYS 28 1HD LYS 28 11.524 0.117 -3.187 46 1HE LYS 28 2HE LYS 28 11.017 -2.690 -4.269 47 2HE LYS 28 1HE LYS 28 12.387 -1.688 -4.755 48 1HZ LYS 28 HZ LYS 28 11.842 -2.411 -1.903 49 H ASN 29 H ASN 29 11.026 2.271 -1.848 50 HA ASN 29 HA ASN 29 13.542 1.185 -1.931 51 1HB ASN 29 2HB ASN 29 12.530 3.919 -1.892 52 2HB ASN 29 1HB ASN 29 13.932 3.872 -0.846 53 1HD2 ASN 29 1HD2 ASN 29 13.493 1.866 -3.828 54 2HD2 ASN 29 2HD2 ASN 29 14.814 2.600 -4.604 55 H LEU 30 H LEU 30 12.351 2.922 0.828 56 HA LEU 30 HA LEU 30 14.385 2.666 2.663 57 1HB LEU 30 2HB LEU 30 11.367 2.531 3.109 58 2HB LEU 30 1HB LEU 30 12.497 2.660 4.433 59 HG LEU 30 HG LEU 30 12.287 4.691 2.140 60 1HD1 LEU 30 1HD1 LEU 30 11.293 6.161 3.876 61 2HD1 LEU 30 2HD1 LEU 30 11.378 4.859 5.050 62 3HD1 LEU 30 3HD1 LEU 30 10.329 4.718 3.652 63 1HD2 LEU 30 1HD2 LEU 30 13.768 6.080 3.578 64 2HD2 LEU 30 2HD2 LEU 30 14.597 4.602 3.176 65 3HD2 LEU 30 3HD2 LEU 30 13.876 4.796 4.766 66 H ILE 31 H ILE 31 12.252 0.067 1.835 67 HA ILE 31 HA ILE 31 13.292 -1.632 4.044 68 HB ILE 31 HB ILE 31 11.480 -2.166 1.708 69 1HG1 ILE 31 2HG1 ILE 31 10.727 -1.275 4.560 70 2HG1 ILE 31 1HG1 ILE 31 10.479 -0.357 3.088 71 1HG2 ILE 31 1HG2 ILE 31 10.523 -4.112 3.110 72 2HG2 ILE 31 2HG2 ILE 31 11.728 -3.745 4.337 73 3HG2 ILE 31 3HG2 ILE 31 12.213 -4.327 2.755 74 1HD1 ILE 31 1HD1 ILE 31 8.845 -2.057 2.286 75 2HD1 ILE 31 2HD1 ILE 31 8.346 -1.324 3.803 76 3HD1 ILE 31 3HD1 ILE 31 9.018 -2.940 3.798 77 H GLU 32 H GLU 32 14.404 -0.702 1.317 78 HA GLU 32 HA GLU 32 15.919 -3.254 0.739 79 1HB GLU 32 2HB GLU 32 15.294 -0.911 -1.118 80 2HB GLU 32 1HB GLU 32 16.266 -2.298 -1.564 81 1HG GLU 32 2HG GLU 32 14.355 -3.816 -1.231 82 2HG GLU 32 1HG GLU 32 13.400 -2.512 -0.535 83 H ARG 33 H ARG 33 16.341 -1.066 2.665 84 HA ARG 33 HA ARG 33 19.007 -0.045 1.758 85 1HB ARG 33 2HB ARG 33 17.538 1.723 2.666 86 2HB ARG 33 1HB ARG 33 17.168 0.776 4.095 87 1HG ARG 33 2HG ARG 33 19.535 0.937 4.861 88 2HG ARG 33 1HG ARG 33 19.985 1.747 3.373 89 1HD ARG 33 2HD ARG 33 18.761 3.753 3.978 90 2HD ARG 33 1HD ARG 33 17.901 2.903 5.247 91 HE ARG 33 HE ARG 33 20.886 3.348 5.315 92 1HH1 ARG 33 1HH2 ARG 33 17.808 3.558 6.851 93 2HH1 ARG 33 2HH2 ARG 33 18.404 4.087 8.359 94 1HH2 ARG 33 2HH1 ARG 33 21.761 4.016 7.268 95 2HH2 ARG 33 1HH1 ARG 33 20.744 4.359 8.598 96 H GLN 34 H GLN 34 17.350 -1.532 4.353 97 HA GLN 34 HA GLN 34 19.075 -2.276 6.283 98 1HB GLN 34 2HB GLN 34 17.094 -4.125 4.867 99 2HB GLN 34 1HB GLN 34 17.869 -4.555 6.370 100 1HG GLN 34 2HG GLN 34 15.631 -3.649 6.863 101 2HG GLN 34 1HG GLN 34 16.828 -2.517 7.448 102 1HE2 GLN 34 1HE2 GLN 34 15.396 -0.613 7.247 103 2HE2 GLN 34 2HE2 GLN 34 14.900 -0.076 5.701 104 H ARG 35 H ARG 35 18.796 -4.631 3.610 105 HA ARG 35 HA ARG 35 21.532 -5.527 4.242 106 1HB ARG 35 2HB ARG 35 21.129 -7.442 2.783 107 2HB ARG 35 1HB ARG 35 19.809 -7.286 3.917 108 1HG ARG 35 2HG ARG 35 18.363 -6.314 2.157 109 2HG ARG 35 1HG ARG 35 19.699 -6.328 1.014 110 1HD ARG 35 2HD ARG 35 19.839 -8.794 1.128 111 2HD ARG 35 1HD ARG 35 18.565 -8.863 2.337 112 HE ARG 35 HE ARG 35 17.105 -7.712 0.576 113 1HH1 ARG 35 1HH2 ARG 35 19.640 -9.894 -0.345 114 2HH1 ARG 35 2HH2 ARG 35 18.902 -10.361 -1.818 115 1HH2 ARG 35 2HH1 ARG 35 16.140 -8.222 -1.307 116 2HH2 ARG 35 1HH1 ARG 35 16.824 -9.357 -2.389 117 H TYR 36 H TYR 36 20.269 -3.230 2.262 118 HA TYR 36 HA TYR 36 22.599 -3.334 0.461 119 1HB TYR 36 2HB TYR 36 20.659 -4.299 -0.754 120 2HB TYR 36 1HB TYR 36 19.671 -2.924 -0.321 121 HD1 TYR 36 HD1 TYR 36 22.924 -3.649 -2.110 122 HD2 TYR 36 HD2 TYR 36 19.420 -1.241 -1.851 123 HE1 TYR 36 HE1 TYR 36 23.567 -2.476 -4.176 124 HE2 TYR 36 HE2 TYR 36 20.065 -0.086 -3.907 125 HH TYR 36 HH TYR 36 22.915 0.068 -5.137 126 1HT TYR 36 1HT TYR 36 23.125 -1.791 2.348 127 2HT TYR 36 2HT TYR 36 22.668 -0.167 2.150 Start of MODEL 16 1 1H ACE 24 1HA ACE 24 -0.324 3.831 -2.463 2 2H ACE 24 2HA ACE 24 0.154 2.138 -2.333 3 3H ACE 24 3HA ACE 24 0.643 3.087 -3.735 4 H ALA 24 H ALA 24 1.795 1.863 -0.900 5 HA ALA 24 HA ALA 24 3.522 4.174 -0.220 6 1HB ALA 24 1HB ALA 24 4.307 2.697 1.618 7 2HB ALA 24 2HB ALA 24 3.359 1.374 0.969 8 3HB ALA 24 3HB ALA 24 2.558 2.801 1.612 9 H ARG 25 H ARG 25 3.674 2.578 -2.754 10 HA ARG 25 HA ARG 25 5.982 0.991 -2.936 11 1HB ARG 25 2HB ARG 25 6.071 1.552 -5.313 12 2HB ARG 25 1HB ARG 25 4.402 1.382 -4.876 13 1HG ARG 25 2HG ARG 25 5.805 4.090 -5.214 14 2HG ARG 25 1HG ARG 25 4.944 3.258 -6.469 15 1HD ARG 25 2HD ARG 25 2.804 3.398 -5.157 16 2HD ARG 25 1HD ARG 25 3.687 4.272 -3.904 17 HE ARG 25 HE ARG 25 3.679 5.269 -6.707 18 1HH1 ARG 25 1HH2 ARG 25 2.827 5.799 -3.364 19 2HH1 ARG 25 2HH2 ARG 25 2.519 7.458 -3.574 20 1HH2 ARG 25 2HH1 ARG 25 3.225 7.419 -7.011 21 2HH2 ARG 25 1HH1 ARG 25 2.718 8.395 -5.706 22 H HIS 26 H HIS 26 5.633 4.456 -3.085 23 HA HIS 26 HA HIS 26 8.501 4.952 -3.308 24 1HB HIS 26 2HB HIS 26 6.632 6.493 -4.188 25 2HB HIS 26 1HB HIS 26 6.320 6.928 -2.509 26 HD1 HIS 26 HD1 HIS 26 9.447 6.766 -4.666 27 HD2 HIS 26 HD2 HIS 26 7.569 9.142 -1.821 28 HE1 HIS 26 HE1 HIS 26 10.840 8.792 -4.248 29 H TYR 27 H TYR 27 7.447 3.385 -1.004 30 HA TYR 27 HA TYR 27 8.885 4.847 1.119 31 1HB TYR 27 2HB TYR 27 6.144 4.621 1.157 32 2HB TYR 27 1HB TYR 27 6.548 3.057 1.838 33 HD1 TYR 27 HD1 TYR 27 8.179 3.048 3.922 34 HD2 TYR 27 HD2 TYR 27 6.123 6.529 2.557 35 HE1 TYR 27 HE1 TYR 27 8.526 4.101 6.082 36 HE2 TYR 27 HE2 TYR 27 6.482 7.575 4.735 37 HH TYR 27 HH TYR 27 8.051 5.909 7.410 38 H LYS 28 H LYS 28 9.039 2.573 -0.940 39 HA LYS 28 HA LYS 28 9.684 0.253 0.725 40 1HB LYS 28 2HB LYS 28 9.825 0.833 -2.247 41 2HB LYS 28 1HB LYS 28 10.632 -0.552 -1.582 42 1HG LYS 28 2HG LYS 28 8.122 -0.788 -0.424 43 2HG LYS 28 1HG LYS 28 7.752 -0.024 -1.953 44 1HD LYS 28 2HD LYS 28 7.633 -2.397 -2.326 45 2HD LYS 28 1HD LYS 28 9.077 -1.822 -3.125 46 1HE LYS 28 2HE LYS 28 9.390 -2.791 -0.276 47 2HE LYS 28 1HE LYS 28 9.106 -3.989 -1.526 48 1HZ LYS 28 HZ LYS 28 11.123 -2.964 -2.709 49 H ASN 29 H ASN 29 11.382 2.634 -1.163 50 HA ASN 29 HA ASN 29 13.999 1.981 -1.288 51 1HB ASN 29 2HB ASN 29 13.052 4.258 -1.748 52 2HB ASN 29 1HB ASN 29 12.977 4.583 -0.030 53 1HD2 ASN 29 1HD2 ASN 29 14.760 5.410 -2.631 54 2HD2 ASN 29 2HD2 ASN 29 16.273 5.596 -1.880 55 H LEU 30 H LEU 30 12.609 3.197 1.689 56 HA LEU 30 HA LEU 30 14.818 2.793 3.410 57 1HB LEU 30 2HB LEU 30 11.827 2.870 3.921 58 2HB LEU 30 1HB LEU 30 12.978 2.742 5.216 59 HG LEU 30 HG LEU 30 12.237 5.077 4.849 60 1HD1 LEU 30 1HD1 LEU 30 14.470 6.141 4.820 61 2HD1 LEU 30 2HD1 LEU 30 15.198 4.675 4.211 62 3HD1 LEU 30 3HD1 LEU 30 14.475 4.697 5.809 63 1HD2 LEU 30 1HD2 LEU 30 13.642 4.951 2.147 64 2HD2 LEU 30 2HD2 LEU 30 12.933 6.368 2.878 65 3HD2 LEU 30 3HD2 LEU 30 11.892 5.052 2.381 66 H ILE 31 H ILE 31 12.010 0.811 2.915 67 HA ILE 31 HA ILE 31 12.868 -1.411 4.537 68 HB ILE 31 HB ILE 31 10.731 -1.215 2.312 69 1HG1 ILE 31 2HG1 ILE 31 10.383 -0.868 5.350 70 2HG1 ILE 31 1HG1 ILE 31 10.513 0.485 4.248 71 1HG2 ILE 31 1HG2 ILE 31 10.930 -3.201 4.624 72 2HG2 ILE 31 2HG2 ILE 31 11.217 -3.566 2.937 73 3HG2 ILE 31 3HG2 ILE 31 9.613 -3.126 3.462 74 1HD1 ILE 31 1HD1 ILE 31 8.500 -0.264 3.028 75 2HD1 ILE 31 2HD1 ILE 31 8.154 0.031 4.724 76 3HD1 ILE 31 3HD1 ILE 31 8.315 -1.615 4.136 77 H GLU 32 H GLU 32 13.598 -0.401 1.457 78 HA GLU 32 HA GLU 32 14.743 -3.071 0.709 79 1HB GLU 32 2HB GLU 32 13.729 -0.716 -0.906 80 2HB GLU 32 1HB GLU 32 15.095 -1.574 -1.570 81 1HG GLU 32 2HG GLU 32 13.166 -2.554 -2.578 82 2HG GLU 32 1HG GLU 32 13.734 -3.729 -1.415 83 H ARG 33 H ARG 33 15.698 -0.898 2.569 84 HA ARG 33 HA ARG 33 18.294 -0.234 1.247 85 1HB ARG 33 2HB ARG 33 16.837 1.524 2.506 86 2HB ARG 33 1HB ARG 33 17.309 0.720 3.988 87 1HG ARG 33 2HG ARG 33 19.345 1.765 1.968 88 2HG ARG 33 1HG ARG 33 18.714 2.773 3.245 89 1HD ARG 33 2HD ARG 33 19.686 1.092 4.958 90 2HD ARG 33 1HD ARG 33 20.275 0.171 3.613 91 HE ARG 33 HE ARG 33 21.917 1.621 3.135 92 1HH1 ARG 33 1HH2 ARG 33 19.728 2.890 5.416 93 2HH1 ARG 33 2HH2 ARG 33 20.697 4.198 5.970 94 1HH2 ARG 33 2HH1 ARG 33 23.332 3.315 3.749 95 2HH2 ARG 33 1HH1 ARG 33 22.861 4.450 4.935 96 H GLN 34 H GLN 34 16.834 -1.821 3.917 97 HA GLN 34 HA GLN 34 18.653 -2.721 5.656 98 1HB GLN 34 2HB GLN 34 16.629 -4.470 4.204 99 2HB GLN 34 1HB GLN 34 17.418 -4.931 5.704 100 1HG GLN 34 2HG GLN 34 16.501 -2.850 6.783 101 2HG GLN 34 1HG GLN 34 15.647 -2.454 5.295 102 1HE2 GLN 34 1HE2 GLN 34 14.847 -3.498 8.173 103 2HE2 GLN 34 2HE2 GLN 34 13.698 -4.684 7.771 104 H ARG 35 H ARG 35 18.889 -3.939 2.338 105 HA ARG 35 HA ARG 35 20.995 -5.830 3.134 106 1HB ARG 35 2HB ARG 35 19.425 -5.347 0.586 107 2HB ARG 35 1HB ARG 35 21.004 -6.055 0.424 108 1HG ARG 35 2HG ARG 35 19.519 -7.897 0.532 109 2HG ARG 35 1HG ARG 35 20.329 -7.852 2.073 110 1HD ARG 35 2HD ARG 35 18.303 -6.716 3.066 111 2HD ARG 35 1HD ARG 35 17.484 -6.856 1.526 112 HE ARG 35 HE ARG 35 18.478 -9.151 3.193 113 1HH1 ARG 35 1HH2 ARG 35 16.254 -7.982 0.795 114 2HH1 ARG 35 2HH2 ARG 35 15.379 -9.446 0.703 115 1HH2 ARG 35 2HH1 ARG 35 17.374 -11.059 3.113 116 2HH2 ARG 35 1HH1 ARG 35 16.033 -11.256 2.083 117 H TYR 36 H TYR 36 20.769 -2.753 1.883 118 HA TYR 36 HA TYR 36 23.642 -2.607 1.216 119 1HB TYR 36 2HB TYR 36 21.437 -0.729 0.233 120 2HB TYR 36 1HB TYR 36 23.068 -0.874 -0.406 121 HD1 TYR 36 HD1 TYR 36 23.713 -3.446 -1.070 122 HD2 TYR 36 HD2 TYR 36 19.760 -1.853 -0.983 123 HE1 TYR 36 HE1 TYR 36 22.965 -5.218 -2.565 124 HE2 TYR 36 HE2 TYR 36 19.020 -3.628 -2.485 125 HH TYR 36 HH TYR 36 21.213 -5.781 -4.048 126 1HT TYR 36 1HT TYR 36 23.614 -2.422 3.722 127 2HT TYR 36 2HT TYR 36 23.480 -0.854 4.365 Start of MODEL 17 1 1H ACE 24 1HA ACE 24 0.509 -0.071 -0.544 2 2H ACE 24 2HA ACE 24 0.441 0.378 -2.249 3 3H ACE 24 3HA ACE 24 -0.676 1.113 -1.095 4 H ALA 24 H ALA 24 2.168 0.892 0.520 5 HA ALA 24 HA ALA 24 2.737 3.755 0.127 6 1HB ALA 24 1HB ALA 24 4.261 3.422 2.062 7 2HB ALA 24 2HB ALA 24 3.999 1.693 1.987 8 3HB ALA 24 3HB ALA 24 2.675 2.769 2.413 9 H ARG 25 H ARG 25 3.155 2.627 -2.081 10 HA ARG 25 HA ARG 25 5.520 1.407 -2.886 11 1HB ARG 25 2HB ARG 25 3.933 3.622 -4.263 12 2HB ARG 25 1HB ARG 25 5.124 2.626 -5.070 13 1HG ARG 25 2HG ARG 25 3.852 0.616 -4.770 14 2HG ARG 25 1HG ARG 25 2.763 1.358 -3.621 15 1HD ARG 25 2HD ARG 25 1.841 1.110 -5.991 16 2HD ARG 25 1HD ARG 25 1.702 2.698 -5.288 17 HE ARG 25 HE ARG 25 3.873 1.839 -7.201 18 1HH1 ARG 25 1HH2 ARG 25 1.762 4.313 -5.993 19 2HH1 ARG 25 2HH2 ARG 25 2.241 5.484 -7.135 20 1HH2 ARG 25 2HH1 ARG 25 4.567 3.358 -8.687 21 2HH2 ARG 25 1HH1 ARG 25 3.898 4.928 -8.688 22 H HIS 26 H HIS 26 5.003 4.887 -2.721 23 HA HIS 26 HA HIS 26 7.725 5.557 -3.325 24 1HB HIS 26 2HB HIS 26 5.649 7.141 -3.417 25 2HB HIS 26 1HB HIS 26 5.811 7.279 -1.675 26 HD1 HIS 26 HD1 HIS 26 6.212 9.853 -2.333 27 HD2 HIS 26 HD2 HIS 26 9.256 7.213 -3.339 28 HE1 HIS 26 HE1 HIS 26 8.287 11.144 -2.800 29 H TYR 27 H TYR 27 6.553 4.068 -0.698 30 HA TYR 27 HA TYR 27 8.742 5.048 1.089 31 1HB TYR 27 2HB TYR 27 6.056 5.022 1.588 32 2HB TYR 27 1HB TYR 27 6.479 3.432 2.179 33 HD1 TYR 27 HD1 TYR 27 7.180 7.044 2.590 34 HD2 TYR 27 HD2 TYR 27 7.705 3.148 4.231 35 HE1 TYR 27 HE1 TYR 27 8.000 8.032 4.680 36 HE2 TYR 27 HE2 TYR 27 8.522 4.134 6.311 37 HH TYR 27 HH TYR 27 8.876 6.074 7.475 38 H LYS 28 H LYS 28 8.468 2.917 -1.036 39 HA LYS 28 HA LYS 28 9.034 0.436 0.478 40 1HB LYS 28 2HB LYS 28 7.850 0.760 -1.916 41 2HB LYS 28 1HB LYS 28 9.482 0.675 -2.524 42 1HG LYS 28 2HG LYS 28 8.087 -1.458 -0.842 43 2HG LYS 28 1HG LYS 28 8.352 -1.541 -2.566 44 1HD LYS 28 2HD LYS 28 10.540 -1.539 -0.441 45 2HD LYS 28 1HD LYS 28 9.979 -2.927 -1.338 46 1HE LYS 28 2HE LYS 28 10.723 -1.913 -3.471 47 2HE LYS 28 1HE LYS 28 11.274 -0.477 -2.617 48 1HZ LYS 28 HZ LYS 28 12.433 -3.195 -2.124 49 H ASN 29 H ASN 29 10.794 2.643 -1.587 50 HA ASN 29 HA ASN 29 13.299 1.777 -2.015 51 1HB ASN 29 2HB ASN 29 12.195 4.329 -1.798 52 2HB ASN 29 1HB ASN 29 13.437 4.374 -0.577 53 1HD2 ASN 29 1HD2 ASN 29 12.973 4.888 -3.906 54 2HD2 ASN 29 2HD2 ASN 29 14.613 4.775 -4.340 55 H LEU 30 H LEU 30 12.407 3.048 1.115 56 HA LEU 30 HA LEU 30 14.649 2.693 2.659 57 1HB LEU 30 2HB LEU 30 11.732 2.307 3.388 58 2HB LEU 30 1HB LEU 30 13.000 2.263 4.582 59 HG LEU 30 HG LEU 30 11.906 4.483 4.439 60 1HD1 LEU 30 1HD1 LEU 30 13.966 5.863 4.353 61 2HD1 LEU 30 2HD1 LEU 30 14.838 4.552 3.590 62 3HD1 LEU 30 3HD1 LEU 30 14.243 4.378 5.239 63 1HD2 LEU 30 1HD2 LEU 30 12.289 5.992 2.531 64 2HD2 LEU 30 2HD2 LEU 30 11.384 4.588 2.021 65 3HD2 LEU 30 3HD2 LEU 30 13.107 4.732 1.648 66 H ILE 31 H ILE 31 12.214 0.157 2.133 67 HA ILE 31 HA ILE 31 13.459 -1.788 3.791 68 HB ILE 31 HB ILE 31 11.637 -1.991 1.304 69 1HG1 ILE 31 2HG1 ILE 31 9.842 -2.629 2.935 70 2HG1 ILE 31 1HG1 ILE 31 10.978 -2.464 4.253 71 1HG2 ILE 31 1HG2 ILE 31 12.338 -4.308 3.163 72 2HG2 ILE 31 2HG2 ILE 31 12.818 -4.174 1.480 73 3HG2 ILE 31 3HG2 ILE 31 11.130 -4.353 1.886 74 1HD1 ILE 31 1HD1 ILE 31 11.146 -0.011 3.808 75 2HD1 ILE 31 2HD1 ILE 31 9.488 -0.495 4.048 76 3HD1 ILE 31 3HD1 ILE 31 10.068 -0.191 2.424 77 H GLU 32 H GLU 32 14.490 -0.604 0.848 78 HA GLU 32 HA GLU 32 16.212 -3.020 0.400 79 1HB GLU 32 2HB GLU 32 15.749 -0.500 -1.279 80 2HB GLU 32 1HB GLU 32 16.881 -1.752 -1.721 81 1HG GLU 32 2HG GLU 32 15.128 -2.794 -2.801 82 2HG GLU 32 1HG GLU 32 14.496 -3.206 -1.222 83 H ARG 33 H ARG 33 16.442 -1.165 2.629 84 HA ARG 33 HA ARG 33 19.155 -0.008 2.200 85 1HB ARG 33 2HB ARG 33 17.505 1.540 3.217 86 2HB ARG 33 1HB ARG 33 17.093 0.387 4.455 87 1HG ARG 33 2HG ARG 33 18.528 1.866 5.564 88 2HG ARG 33 1HG ARG 33 19.521 0.474 5.269 89 1HD ARG 33 2HD ARG 33 21.033 1.968 4.423 90 2HD ARG 33 1HD ARG 33 20.058 1.993 2.975 91 HE ARG 33 HE ARG 33 19.810 3.869 5.300 92 1HH1 ARG 33 1HH2 ARG 33 19.286 3.278 1.884 93 2HH1 ARG 33 2HH2 ARG 33 18.791 4.888 1.578 94 1HH2 ARG 33 2HH1 ARG 33 19.173 5.909 4.918 95 2HH2 ARG 33 1HH1 ARG 33 18.701 6.418 3.357 96 H GLN 34 H GLN 34 17.422 -1.615 4.705 97 HA GLN 34 HA GLN 34 19.324 -2.609 6.408 98 1HB GLN 34 2HB GLN 34 16.899 -4.137 5.348 99 2HB GLN 34 1HB GLN 34 17.840 -4.656 6.737 100 1HG GLN 34 2HG GLN 34 17.392 -2.536 7.912 101 2HG GLN 34 1HG GLN 34 16.512 -1.897 6.539 102 1HE2 GLN 34 1HE2 GLN 34 14.292 -2.215 6.615 103 2HE2 GLN 34 2HE2 GLN 34 13.538 -3.361 7.633 104 H ARG 35 H ARG 35 18.513 -4.322 3.446 105 HA ARG 35 HA ARG 35 20.752 -6.172 3.856 106 1HB ARG 35 2HB ARG 35 18.806 -6.096 1.516 107 2HB ARG 35 1HB ARG 35 19.763 -7.460 2.047 108 1HG ARG 35 2HG ARG 35 18.477 -7.585 4.190 109 2HG ARG 35 1HG ARG 35 17.551 -6.173 3.753 110 1HD ARG 35 2HD ARG 35 16.158 -8.091 3.273 111 2HD ARG 35 1HD ARG 35 16.668 -7.369 1.754 112 HE ARG 35 HE ARG 35 18.154 -9.663 2.987 113 1HH1 ARG 35 1HH2 ARG 35 16.461 -8.367 0.241 114 2HH1 ARG 35 2HH2 ARG 35 16.878 -9.670 -0.788 115 1HH2 ARG 35 2HH1 ARG 35 18.717 -11.326 1.700 116 2HH2 ARG 35 1HH1 ARG 35 18.196 -11.426 0.077 117 H TYR 36 H TYR 36 21.608 -3.518 3.399 118 HA TYR 36 HA TYR 36 22.937 -3.800 0.761 119 1HB TYR 36 2HB TYR 36 21.202 -1.921 0.892 120 2HB TYR 36 1HB TYR 36 22.167 -1.194 2.165 121 HD1 TYR 36 HD1 TYR 36 22.493 -2.406 -1.389 122 HD2 TYR 36 HD2 TYR 36 23.881 0.310 1.589 123 HE1 TYR 36 HE1 TYR 36 23.904 -1.285 -3.053 124 HE2 TYR 36 HE2 TYR 36 25.280 1.426 -0.086 125 HH TYR 36 HH TYR 36 26.395 0.693 -2.346 126 1HT TYR 36 1HT TYR 36 24.241 -5.030 2.746 127 2HT TYR 36 2HT TYR 36 25.521 -4.087 3.349 Start of MODEL 18 1 1H ACE 24 1HA ACE 24 -0.596 0.972 -1.482 2 2H ACE 24 2HA ACE 24 0.655 0.186 -0.517 3 3H ACE 24 3HA ACE 24 0.796 0.242 -2.276 4 H ALA 24 H ALA 24 1.990 1.621 0.440 5 HA ALA 24 HA ALA 24 2.108 4.408 -0.475 6 1HB ALA 24 1HB ALA 24 3.524 4.730 1.563 7 2HB ALA 24 2HB ALA 24 3.562 2.998 1.818 8 3HB ALA 24 3HB ALA 24 2.044 3.881 1.976 9 H ARG 25 H ARG 25 2.952 3.285 -2.484 10 HA ARG 25 HA ARG 25 5.208 2.212 -3.308 11 1HB ARG 25 2HB ARG 25 3.919 4.779 -4.216 12 2HB ARG 25 1HB ARG 25 5.474 4.402 -4.905 13 1HG ARG 25 2HG ARG 25 3.546 3.566 -6.265 14 2HG ARG 25 1HG ARG 25 4.713 2.335 -5.843 15 1HD ARG 25 2HD ARG 25 3.182 1.472 -4.045 16 2HD ARG 25 1HD ARG 25 2.080 2.792 -4.371 17 HE ARG 25 HE ARG 25 1.563 1.907 -6.509 18 1HH1 ARG 25 1HH2 ARG 25 3.622 -0.220 -4.685 19 2HH1 ARG 25 2HH2 ARG 25 3.203 -1.608 -5.601 20 1HH2 ARG 25 2HH1 ARG 25 1.049 0.147 -7.728 21 2HH2 ARG 25 1HH1 ARG 25 1.733 -1.382 -7.389 22 H HIS 26 H HIS 26 5.493 5.599 -2.323 23 HA HIS 26 HA HIS 26 8.315 5.722 -2.532 24 1HB HIS 26 2HB HIS 26 6.458 7.347 -0.744 25 2HB HIS 26 1HB HIS 26 8.096 7.802 -1.188 26 HD1 HIS 26 HD1 HIS 26 8.435 7.789 -3.959 27 HD2 HIS 26 HD2 HIS 26 4.598 8.251 -2.423 28 HE1 HIS 26 HE1 HIS 26 6.958 8.762 -5.728 29 H TYR 27 H TYR 27 7.062 3.553 -0.588 30 HA TYR 27 HA TYR 27 9.111 3.993 1.535 31 1HB TYR 27 2HB TYR 27 6.426 3.855 1.982 32 2HB TYR 27 1HB TYR 27 6.731 2.137 1.928 33 HD1 TYR 27 HD1 TYR 27 7.797 5.273 3.604 34 HD2 TYR 27 HD2 TYR 27 7.624 1.026 3.878 35 HE1 TYR 27 HE1 TYR 27 8.537 5.392 5.929 36 HE2 TYR 27 HE2 TYR 27 8.364 1.156 6.212 37 HH TYR 27 HH TYR 27 8.222 3.782 8.054 38 H LYS 28 H LYS 28 8.668 2.480 -1.121 39 HA LYS 28 HA LYS 28 9.462 -0.270 -0.449 40 1HB LYS 28 2HB LYS 28 8.162 0.313 -2.557 41 2HB LYS 28 1HB LYS 28 9.607 1.077 -3.187 42 1HG LYS 28 2HG LYS 28 10.032 -1.713 -2.158 43 2HG LYS 28 1HG LYS 28 8.977 -1.611 -3.539 44 1HD LYS 28 2HD LYS 28 10.679 -0.593 -4.896 45 2HD LYS 28 1HD LYS 28 11.735 -0.309 -3.528 46 1HE LYS 28 2HE LYS 28 10.861 -3.129 -4.349 47 2HE LYS 28 1HE LYS 28 12.371 -2.385 -4.890 48 1HZ LYS 28 HZ LYS 28 11.658 -2.655 -1.996 49 H ASN 29 H ASN 29 11.110 2.507 -1.850 50 HA ASN 29 HA ASN 29 13.682 1.120 -1.851 51 1HB ASN 29 2HB ASN 29 13.067 2.918 -3.527 52 2HB ASN 29 1HB ASN 29 13.161 4.103 -2.224 53 1HD2 ASN 29 1HD2 ASN 29 15.139 5.227 -2.685 54 2HD2 ASN 29 2HD2 ASN 29 16.605 4.401 -2.921 55 H LEU 30 H LEU 30 12.331 1.305 0.649 56 HA LEU 30 HA LEU 30 14.388 2.698 2.302 57 1HB LEU 30 2HB LEU 30 11.374 2.626 2.534 58 2HB LEU 30 1HB LEU 30 12.233 2.388 4.038 59 HG LEU 30 HG LEU 30 12.722 4.753 2.156 60 1HD1 LEU 30 1HD1 LEU 30 11.169 4.596 4.799 61 2HD1 LEU 30 2HD1 LEU 30 10.460 4.836 3.213 62 3HD1 LEU 30 3HD1 LEU 30 11.498 6.066 3.898 63 1HD2 LEU 30 1HD2 LEU 30 13.633 4.223 5.042 64 2HD2 LEU 30 2HD2 LEU 30 13.961 5.675 4.118 65 3HD2 LEU 30 3HD2 LEU 30 14.696 4.166 3.647 66 H ILE 31 H ILE 31 11.931 0.154 2.470 67 HA ILE 31 HA ILE 31 13.271 -1.369 4.462 68 HB ILE 31 HB ILE 31 11.550 -2.556 2.188 69 1HG1 ILE 31 2HG1 ILE 31 10.601 -1.245 4.803 70 2HG1 ILE 31 1HG1 ILE 31 10.361 -0.560 3.213 71 1HG2 ILE 31 1HG2 ILE 31 11.902 -3.382 5.128 72 2HG2 ILE 31 2HG2 ILE 31 12.683 -4.175 3.778 73 3HG2 ILE 31 3HG2 ILE 31 10.948 -4.245 3.937 74 1HD1 ILE 31 1HD1 ILE 31 8.992 -2.513 2.540 75 2HD1 ILE 31 2HD1 ILE 31 8.320 -1.683 3.932 76 3HD1 ILE 31 3HD1 ILE 31 9.171 -3.196 4.149 77 H GLU 32 H GLU 32 13.643 -1.178 1.121 78 HA GLU 32 HA GLU 32 15.574 -3.418 0.947 79 1HB GLU 32 2HB GLU 32 14.744 -1.291 -1.071 80 2HB GLU 32 1HB GLU 32 15.897 -2.547 -1.450 81 1HG GLU 32 2HG GLU 32 14.189 -4.307 -1.103 82 2HG GLU 32 1HG GLU 32 13.024 -3.101 -0.559 83 H ARG 33 H ARG 33 16.103 -1.096 2.693 84 HA ARG 33 HA ARG 33 18.664 -0.077 1.548 85 1HB ARG 33 2HB ARG 33 17.080 1.636 2.524 86 2HB ARG 33 1HB ARG 33 17.090 0.791 4.056 87 1HG ARG 33 2HG ARG 33 19.520 1.183 4.307 88 2HG ARG 33 1HG ARG 33 19.590 1.978 2.749 89 1HD ARG 33 2HD ARG 33 18.011 3.773 3.651 90 2HD ARG 33 1HD ARG 33 18.010 2.949 5.188 91 HE ARG 33 HE ARG 33 20.411 3.308 5.402 92 1HH1 ARG 33 1HH2 ARG 33 18.865 5.152 2.917 93 2HH1 ARG 33 2HH2 ARG 33 20.035 6.404 2.900 94 1HH2 ARG 33 2HH1 ARG 33 22.014 4.855 5.367 95 2HH2 ARG 33 1HH1 ARG 33 21.915 6.170 4.284 96 H GLN 34 H GLN 34 17.296 -1.212 4.501 97 HA GLN 34 HA GLN 34 19.274 -1.948 6.167 98 1HB GLN 34 2HB GLN 34 16.840 -2.418 6.530 99 2HB GLN 34 1HB GLN 34 16.924 -3.779 5.427 100 1HG GLN 34 2HG GLN 34 18.443 -4.977 6.930 101 2HG GLN 34 1HG GLN 34 18.627 -3.566 7.958 102 1HE2 GLN 34 1HE2 GLN 34 17.349 -3.761 9.809 103 2HE2 GLN 34 2HE2 GLN 34 15.837 -4.539 9.857 104 H ARG 35 H ARG 35 18.514 -3.809 3.309 105 HA ARG 35 HA ARG 35 20.345 -5.977 3.751 106 1HB ARG 35 2HB ARG 35 20.007 -6.432 1.297 107 2HB ARG 35 1HB ARG 35 18.510 -6.226 2.167 108 1HG ARG 35 2HG ARG 35 18.434 -5.048 -0.025 109 2HG ARG 35 1HG ARG 35 18.260 -3.905 1.286 110 1HD ARG 35 2HD ARG 35 20.505 -3.112 1.040 111 2HD ARG 35 1HD ARG 35 20.992 -4.440 0.014 112 HE ARG 35 HE ARG 35 19.109 -2.200 -0.664 113 1HH1 ARG 35 1HH2 ARG 35 21.308 -4.650 -1.709 114 2HH1 ARG 35 2HH2 ARG 35 21.363 -4.153 -3.345 115 1HH2 ARG 35 2HH1 ARG 35 19.096 -1.498 -2.760 116 2HH2 ARG 35 1HH1 ARG 35 20.044 -2.276 -3.954 117 H TYR 36 H TYR 36 21.285 -2.962 3.548 118 HA TYR 36 HA TYR 36 23.459 -3.128 1.605 119 1HB TYR 36 2HB TYR 36 22.134 -0.988 2.367 120 2HB TYR 36 1HB TYR 36 23.099 -1.065 3.824 121 HD1 TYR 36 HD1 TYR 36 25.701 -0.855 3.597 122 HD2 TYR 36 HD2 TYR 36 23.014 -0.065 0.375 123 HE1 TYR 36 HE1 TYR 36 27.441 0.378 2.432 124 HE2 TYR 36 HE2 TYR 36 24.772 1.172 -0.778 125 HH TYR 36 HH TYR 36 27.853 1.852 0.682 126 1HT TYR 36 1HT TYR 36 24.017 -5.266 2.832 127 2HT TYR 36 2HT TYR 36 25.169 -5.120 4.083 Start of MODEL 19 1 1H ACE 24 1HA ACE 24 0.274 4.073 -1.935 2 2H ACE 24 2HA ACE 24 1.249 5.137 -2.950 3 3H ACE 24 3HA ACE 24 0.644 5.716 -1.397 4 H ALA 24 H ALA 24 1.518 2.567 -0.909 5 HA ALA 24 HA ALA 24 4.009 3.402 0.442 6 1HB ALA 24 1HB ALA 24 2.663 0.666 0.256 7 2HB ALA 24 2HB ALA 24 2.404 1.825 1.555 8 3HB ALA 24 3HB ALA 24 3.980 1.082 1.335 9 H ARG 25 H ARG 25 4.333 3.838 -2.094 10 HA ARG 25 HA ARG 25 5.853 1.543 -3.263 11 1HB ARG 25 2HB ARG 25 4.012 3.065 -4.524 12 2HB ARG 25 1HB ARG 25 5.331 4.197 -4.685 13 1HG ARG 25 2HG ARG 25 5.295 2.884 -6.698 14 2HG ARG 25 1HG ARG 25 6.709 2.402 -5.782 15 1HD ARG 25 2HD ARG 25 5.638 0.357 -5.018 16 2HD ARG 25 1HD ARG 25 4.063 0.879 -5.563 17 HE ARG 25 HE ARG 25 6.415 0.237 -7.324 18 1HH1 ARG 25 1HH2 ARG 25 2.985 0.336 -6.856 19 2HH1 ARG 25 2HH2 ARG 25 2.603 -0.412 -8.342 20 1HH2 ARG 25 2HH1 ARG 25 5.971 -0.733 -9.292 21 2HH2 ARG 25 1HH1 ARG 25 4.360 -1.017 -9.778 22 H HIS 26 H HIS 26 6.095 5.047 -2.795 23 HA HIS 26 HA HIS 26 8.958 5.123 -3.099 24 1HB HIS 26 2HB HIS 26 7.033 7.090 -1.770 25 2HB HIS 26 1HB HIS 26 8.716 7.431 -2.136 26 HD1 HIS 26 HD1 HIS 26 7.218 9.277 -3.557 27 HD2 HIS 26 HD2 HIS 26 7.475 5.420 -5.063 28 HE1 HIS 26 HE1 HIS 26 6.654 9.316 -6.000 29 H TYR 27 H TYR 27 7.257 3.680 -0.789 30 HA TYR 27 HA TYR 27 9.203 4.242 1.374 31 1HB TYR 27 2HB TYR 27 6.279 3.492 1.317 32 2HB TYR 27 1HB TYR 27 7.210 2.585 2.490 33 HD1 TYR 27 HD1 TYR 27 7.214 3.495 4.613 34 HD2 TYR 27 HD2 TYR 27 7.090 6.176 1.303 35 HE1 TYR 27 HE1 TYR 27 7.211 5.390 6.150 36 HE2 TYR 27 HE2 TYR 27 7.084 8.077 2.857 37 HH TYR 27 HH TYR 27 6.985 7.660 6.350 38 H LYS 28 H LYS 28 9.068 2.435 -1.103 39 HA LYS 28 HA LYS 28 9.522 -0.232 -0.069 40 1HB LYS 28 2HB LYS 28 9.952 1.162 -2.733 41 2HB LYS 28 1HB LYS 28 10.574 -0.440 -2.504 42 1HG LYS 28 2HG LYS 28 7.664 0.306 -2.062 43 2HG LYS 28 1HG LYS 28 8.290 -0.347 -3.561 44 1HD LYS 28 2HD LYS 28 8.255 -1.744 -0.847 45 2HD LYS 28 1HD LYS 28 7.265 -2.122 -2.230 46 1HE LYS 28 2HE LYS 28 8.883 -3.683 -2.657 47 2HE LYS 28 1HE LYS 28 9.745 -2.347 -3.397 48 1HZ LYS 28 HZ LYS 28 10.158 -3.160 -0.540 49 H ASN 29 H ASN 29 11.670 2.169 -1.478 50 HA ASN 29 HA ASN 29 14.178 1.020 -1.070 51 1HB ASN 29 2HB ASN 29 13.585 3.518 -1.903 52 2HB ASN 29 1HB ASN 29 13.885 3.933 -0.227 53 1HD2 ASN 29 1HD2 ASN 29 15.431 3.811 -3.123 54 2HD2 ASN 29 2HD2 ASN 29 17.011 3.514 -2.600 55 H LEU 30 H LEU 30 12.397 2.980 1.281 56 HA LEU 30 HA LEU 30 14.015 2.898 3.489 57 1HB LEU 30 2HB LEU 30 11.011 2.392 3.395 58 2HB LEU 30 1HB LEU 30 11.872 2.782 4.866 59 HG LEU 30 HG LEU 30 11.807 4.564 2.361 60 1HD1 LEU 30 1HD1 LEU 30 10.311 4.812 5.007 61 2HD1 LEU 30 2HD1 LEU 30 9.614 4.366 3.467 62 3HD1 LEU 30 3HD1 LEU 30 10.267 5.976 3.695 63 1HD2 LEU 30 1HD2 LEU 30 13.847 4.930 3.797 64 2HD2 LEU 30 2HD2 LEU 30 12.808 5.097 5.201 65 3HD2 LEU 30 3HD2 LEU 30 12.749 6.280 3.912 66 H ILE 31 H ILE 31 11.868 0.222 2.687 67 HA ILE 31 HA ILE 31 13.164 -1.434 4.787 68 HB ILE 31 HB ILE 31 10.807 -2.011 2.857 69 1HG1 ILE 31 2HG1 ILE 31 9.363 -2.035 4.932 70 2HG1 ILE 31 1HG1 ILE 31 10.730 -1.482 5.871 71 1HG2 ILE 31 1HG2 ILE 31 10.346 -4.039 4.224 72 2HG2 ILE 31 2HG2 ILE 31 11.800 -3.743 5.167 73 3HG2 ILE 31 3HG2 ILE 31 11.917 -4.152 3.465 74 1HD1 ILE 31 1HD1 ILE 31 9.414 0.035 3.586 75 2HD1 ILE 31 2HD1 ILE 31 10.758 0.626 4.559 76 3HD1 ILE 31 3HD1 ILE 31 9.202 0.361 5.293 77 H GLU 32 H GLU 32 13.436 -0.717 1.562 78 HA GLU 32 HA GLU 32 14.969 -3.231 0.965 79 1HB GLU 32 2HB GLU 32 13.820 -1.103 -0.919 80 2HB GLU 32 1HB GLU 32 14.573 -2.606 -1.413 81 1HG GLU 32 2HG GLU 32 12.781 -3.929 -0.380 82 2HG GLU 32 1HG GLU 32 12.092 -2.524 0.404 83 H ARG 33 H ARG 33 15.687 -0.972 2.567 84 HA ARG 33 HA ARG 33 17.969 0.261 1.117 85 1HB ARG 33 2HB ARG 33 16.412 1.774 2.406 86 2HB ARG 33 1HB ARG 33 16.725 0.891 3.870 87 1HG ARG 33 2HG ARG 33 18.045 2.905 3.922 88 2HG ARG 33 1HG ARG 33 19.166 1.592 3.681 89 1HD ARG 33 2HD ARG 33 18.022 2.932 1.247 90 2HD ARG 33 1HD ARG 33 19.195 3.852 2.152 91 HE ARG 33 HE ARG 33 20.776 1.892 1.883 92 1HH1 ARG 33 1HH2 ARG 33 18.179 2.346 -0.426 93 2HH1 ARG 33 2HH2 ARG 33 19.018 1.541 -1.670 94 1HH2 ARG 33 2HH1 ARG 33 21.840 0.869 0.309 95 2HH2 ARG 33 1HH1 ARG 33 21.188 0.684 -1.259 96 H GLN 34 H GLN 34 17.141 -1.087 4.177 97 HA GLN 34 HA GLN 34 19.408 -1.758 5.476 98 1HB GLN 34 2HB GLN 34 16.978 -3.543 4.950 99 2HB GLN 34 1HB GLN 34 18.218 -3.988 6.105 100 1HG GLN 34 2HG GLN 34 17.842 -1.863 7.365 101 2HG GLN 34 1HG GLN 34 16.594 -1.393 6.221 102 1HE2 GLN 34 1HE2 GLN 34 14.704 -1.590 7.538 103 2HE2 GLN 34 2HE2 GLN 34 14.279 -3.040 8.308 104 H ARG 35 H ARG 35 18.157 -3.868 3.003 105 HA ARG 35 HA ARG 35 19.985 -5.839 2.704 106 1HB ARG 35 2HB ARG 35 18.505 -4.190 0.633 107 2HB ARG 35 1HB ARG 35 19.557 -5.469 0.086 108 1HG ARG 35 2HG ARG 35 17.370 -5.953 2.165 109 2HG ARG 35 1HG ARG 35 17.081 -6.086 0.447 110 1HD ARG 35 2HD ARG 35 18.099 -8.124 0.334 111 2HD ARG 35 1HD ARG 35 19.539 -7.534 1.104 112 HE ARG 35 HE ARG 35 18.544 -7.893 3.294 113 1HH1 ARG 35 1HH2 ARG 35 16.968 -9.457 0.615 114 2HH1 ARG 35 2HH2 ARG 35 16.292 -10.694 1.573 115 1HH2 ARG 35 2HH1 ARG 35 17.662 -9.453 4.566 116 2HH2 ARG 35 1HH1 ARG 35 16.689 -10.696 3.908 117 H TYR 36 H TYR 36 20.423 -2.719 1.510 118 HA TYR 36 HA TYR 36 23.324 -3.150 1.166 119 1HB TYR 36 2HB TYR 36 21.547 -2.787 -0.951 120 2HB TYR 36 1HB TYR 36 21.980 -1.132 -0.619 121 HD1 TYR 36 HD1 TYR 36 24.809 -1.004 -0.116 122 HD2 TYR 36 HD2 TYR 36 22.724 -3.673 -2.709 123 HE1 TYR 36 HE1 TYR 36 26.847 -1.329 -1.456 124 HE2 TYR 36 HE2 TYR 36 24.752 -3.980 -4.029 125 HH TYR 36 HH TYR 36 27.161 -3.748 -3.856 126 1HT TYR 36 1HT TYR 36 22.501 -2.376 3.530 127 2HT TYR 36 2HT TYR 36 22.625 -0.702 3.794 Start of MODEL 20 1 1H ACE 24 1HA ACE 24 3.087 -1.999 -2.251 2 2H ACE 24 2HA ACE 24 1.638 -1.983 -1.249 3 3H ACE 24 3HA ACE 24 3.235 -2.029 -0.496 4 H ALA 24 H ALA 24 3.749 -0.088 0.362 5 HA ALA 24 HA ALA 24 2.513 2.376 -0.717 6 1HB ALA 24 1HB ALA 24 2.537 2.009 1.762 7 2HB ALA 24 2HB ALA 24 3.466 3.430 1.343 8 3HB ALA 24 3HB ALA 24 4.293 1.931 1.728 9 H ARG 25 H ARG 25 3.777 1.934 -2.665 10 HA ARG 25 HA ARG 25 6.263 1.859 -3.455 11 1HB ARG 25 2HB ARG 25 5.864 3.825 -5.065 12 2HB ARG 25 1HB ARG 25 4.718 2.506 -5.086 13 1HG ARG 25 2HG ARG 25 3.159 3.828 -3.647 14 2HG ARG 25 1HG ARG 25 4.302 5.157 -3.622 15 1HD ARG 25 2HD ARG 25 4.104 5.469 -6.052 16 2HD ARG 25 1HD ARG 25 3.124 4.029 -6.186 17 HE ARG 25 HE ARG 25 1.365 5.062 -4.917 18 1HH1 ARG 25 1HH2 ARG 25 3.860 7.257 -5.939 19 2HH1 ARG 25 2HH2 ARG 25 2.878 8.644 -5.835 20 1HH2 ARG 25 2HH1 ARG 25 0.051 6.840 -4.754 21 2HH2 ARG 25 1HH1 ARG 25 0.642 8.400 -5.119 22 H HIS 26 H HIS 26 5.453 5.126 -2.091 23 HA HIS 26 HA HIS 26 8.185 6.002 -2.403 24 1HB HIS 26 2HB HIS 26 5.856 7.057 -0.743 25 2HB HIS 26 1HB HIS 26 7.444 7.817 -0.681 26 HD1 HIS 26 HD1 HIS 26 8.425 8.457 -3.110 27 HD2 HIS 26 HD2 HIS 26 4.335 7.797 -2.847 28 HE1 HIS 26 HE1 HIS 26 7.313 9.450 -5.126 29 H TYR 27 H TYR 27 7.001 3.856 -0.333 30 HA TYR 27 HA TYR 27 9.174 4.112 1.687 31 1HB TYR 27 2HB TYR 27 6.269 3.406 1.887 32 2HB TYR 27 1HB TYR 27 7.327 2.361 2.803 33 HD1 TYR 27 HD1 TYR 27 7.022 6.044 2.096 34 HD2 TYR 27 HD2 TYR 27 7.656 3.020 5.021 35 HE1 TYR 27 HE1 TYR 27 7.155 7.760 3.847 36 HE2 TYR 27 HE2 TYR 27 7.794 4.736 6.765 37 HH TYR 27 HH TYR 27 7.126 7.045 7.177 38 H LYS 28 H LYS 28 8.782 2.818 -1.019 39 HA LYS 28 HA LYS 28 9.149 -0.055 -0.474 40 1HB LYS 28 2HB LYS 28 7.900 0.639 -2.461 41 2HB LYS 28 1HB LYS 28 9.241 1.606 -3.033 42 1HG LYS 28 2HG LYS 28 9.847 -1.284 -2.504 43 2HG LYS 28 1HG LYS 28 8.812 -0.938 -3.877 44 1HD LYS 28 2HD LYS 28 10.379 0.404 -4.926 45 2HD LYS 28 1HD LYS 28 11.349 0.692 -3.512 46 1HE LYS 28 2HE LYS 28 11.056 -1.981 -4.897 47 2HE LYS 28 1HE LYS 28 12.466 -0.932 -4.992 48 HZ LYS 28 HZ LYS 28 11.491 -2.316 -2.522 49 H ASN 29 H ASN 29 11.104 2.476 -1.941 50 HA ASN 29 HA ASN 29 13.576 1.181 -2.162 51 1HB ASN 29 2HB ASN 29 13.276 3.577 -2.851 52 2HB ASN 29 1HB ASN 29 13.196 4.064 -1.167 53 1HD2 ASN 29 1HD2 ASN 29 15.380 3.017 -3.703 54 2HD2 ASN 29 2HD2 ASN 29 16.804 3.269 -2.815 55 H LEU 30 H LEU 30 12.492 2.946 0.582 56 HA LEU 30 HA LEU 30 14.306 2.827 2.546 57 1HB LEU 30 2HB LEU 30 11.324 2.334 2.722 58 2HB LEU 30 1HB LEU 30 12.304 2.500 4.151 59 HG LEU 30 HG LEU 30 11.180 4.619 3.487 60 1HD1 LEU 30 1HD1 LEU 30 13.260 4.710 4.804 61 2HD1 LEU 30 2HD1 LEU 30 13.170 6.079 3.717 62 3HD1 LEU 30 3HD1 LEU 30 14.228 4.738 3.337 63 1HD2 LEU 30 1HD2 LEU 30 11.966 5.939 1.564 64 2HD2 LEU 30 2HD2 LEU 30 11.264 4.451 0.994 65 3HD2 LEU 30 3HD2 LEU 30 13.023 4.653 1.053 66 H ILE 31 H ILE 31 11.925 0.281 2.420 67 HA ILE 31 HA ILE 31 13.213 -1.464 4.299 68 HB ILE 31 HB ILE 31 11.249 -2.124 2.019 69 1HG1 ILE 31 2HG1 ILE 31 10.291 -0.227 3.303 70 2HG1 ILE 31 1HG1 ILE 31 9.378 -1.664 3.635 71 1HG2 ILE 31 1HG2 ILE 31 10.401 -3.930 3.509 72 2HG2 ILE 31 2HG2 ILE 31 11.634 -3.530 4.700 73 3HG2 ILE 31 3HG2 ILE 31 12.102 -4.160 3.137 74 1HD1 ILE 31 1HD1 ILE 31 11.545 -0.505 5.465 75 2HD1 ILE 31 2HD1 ILE 31 10.599 -1.947 5.809 76 3HD1 ILE 31 3HD1 ILE 31 9.813 -0.384 5.706 77 H GLU 32 H GLU 32 14.025 -0.728 1.196 78 HA GLU 32 HA GLU 32 15.550 -3.274 0.768 79 1HB GLU 32 2HB GLU 32 15.363 -0.917 -1.161 80 2HB GLU 32 1HB GLU 32 15.833 -2.544 -1.533 81 1HG GLU 32 2HG GLU 32 13.570 -3.352 -1.435 82 2HG GLU 32 1HG GLU 32 12.981 -1.936 -0.591 83 H ARG 33 H ARG 33 16.079 -0.823 2.604 84 HA ARG 33 HA ARG 33 18.777 -0.108 1.554 85 1HB ARG 33 2HB ARG 33 16.986 1.613 2.425 86 2HB ARG 33 1HB ARG 33 17.474 1.093 4.026 87 1HG ARG 33 2HG ARG 33 19.821 1.773 3.586 88 2HG ARG 33 1HG ARG 33 19.429 2.207 1.937 89 1HD ARG 33 2HD ARG 33 17.584 3.814 3.238 90 2HD ARG 33 1HD ARG 33 18.731 3.602 4.523 91 HE ARG 33 HE ARG 33 20.274 4.973 3.402 92 1HH1 ARG 33 1HH2 ARG 33 17.801 3.811 1.346 93 2HH1 ARG 33 2HH2 ARG 33 18.085 4.846 0.026 94 1HH2 ARG 33 2HH1 ARG 33 20.837 6.415 1.717 95 2HH2 ARG 33 1HH1 ARG 33 19.959 6.375 0.248 96 H GLN 34 H GLN 34 17.261 -1.415 4.376 97 HA GLN 34 HA GLN 34 19.546 -1.776 6.026 98 1HB GLN 34 2HB GLN 34 17.015 -3.477 5.714 99 2HB GLN 34 1HB GLN 34 18.212 -3.819 6.950 100 1HG GLN 34 2HG GLN 34 17.941 -1.545 7.902 101 2HG GLN 34 1HG GLN 34 16.777 -1.132 6.654 102 1HE2 GLN 34 1HE2 GLN 34 14.779 -1.069 7.792 103 2HE2 GLN 34 2HE2 GLN 34 14.234 -2.337 8.773 104 H ARG 35 H ARG 35 18.294 -4.030 3.620 105 HA ARG 35 HA ARG 35 20.712 -5.686 3.769 106 1HB ARG 35 2HB ARG 35 17.974 -5.977 2.443 107 2HB ARG 35 1HB ARG 35 19.308 -6.947 1.887 108 1HG ARG 35 2HG ARG 35 18.040 -8.233 3.489 109 2HG ARG 35 1HG ARG 35 19.632 -7.913 4.131 110 1HD ARG 35 2HD ARG 35 18.702 -6.135 5.607 111 2HD ARG 35 1HD ARG 35 17.101 -6.402 4.935 112 HE ARG 35 HE ARG 35 17.179 -8.727 5.741 113 1HH1 ARG 35 1HH2 ARG 35 19.402 -6.508 7.216 114 2HH1 ARG 35 2HH2 ARG 35 19.595 -7.436 8.643 115 1HH2 ARG 35 2HH1 ARG 35 17.398 -9.958 7.550 116 2HH2 ARG 35 1HH1 ARG 35 18.415 -9.453 8.824 117 H TYR 36 H TYR 36 21.406 -3.308 3.002 118 HA TYR 36 HA TYR 36 21.341 -2.953 0.093 119 1HB TYR 36 2HB TYR 36 22.825 -1.017 0.428 120 2HB TYR 36 1HB TYR 36 21.587 -0.925 1.659 121 HD1 TYR 36 HD1 TYR 36 22.248 -1.990 4.048 122 HD2 TYR 36 HD2 TYR 36 25.070 -1.012 1.002 123 HE1 TYR 36 HE1 TYR 36 24.053 -2.011 5.696 124 HE2 TYR 36 HE2 TYR 36 26.853 -1.025 2.657 125 HH TYR 36 HH TYR 36 27.023 -0.663 5.171 126 1HT TYR 36 1HT TYR 36 23.771 -4.072 2.420 127 2HT TYR 36 2HT TYR 36 24.856 -4.683 1.247
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