NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16680 | 2ajw | 6818 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 H GLY 1 3.758 6.057 5.547 2 1HA GLY 1 2HA GLY 1 5.770 5.061 6.209 3 2HA GLY 1 1HA GLY 1 5.085 4.792 7.804 4 H CYS 2 H CYS 2 2.699 3.520 6.757 5 HA CYS 2 HA CYS 2 3.340 0.844 6.919 6 1HB CYS 2 2HB CYS 2 1.098 1.694 7.214 7 2HB CYS 2 1HB CYS 2 1.029 2.226 5.550 8 H CYS 3 H CYS 3 2.977 2.816 4.035 9 HA CYS 3 HA CYS 3 3.096 0.850 2.093 10 1HB CYS 3 2HB CYS 3 4.100 3.688 1.952 11 2HB CYS 3 1HB CYS 3 3.864 2.635 0.558 12 H SER 4 H SER 4 5.693 1.959 4.081 13 HA SER 4 HA SER 4 7.865 1.391 2.385 14 1HB SER 4 2HB SER 4 7.865 1.016 5.384 15 2HB SER 4 1HB SER 4 9.221 1.459 4.346 16 HG SER 4 HG SER 4 7.219 3.020 5.413 17 H ASN 5 H ASN 5 5.890 -0.607 4.499 18 HA ASN 5 HA ASN 5 7.495 -2.970 3.920 19 1HB ASN 5 2HB ASN 5 4.957 -2.692 5.552 20 2HB ASN 5 1HB ASN 5 5.951 -4.140 5.437 21 1HD2 ASN 5 1HD2 ASN 5 7.287 -4.444 7.064 22 2HD2 ASN 5 2HD2 ASN 5 7.955 -3.216 8.077 23 HA PRO 6 HA PRO 6 5.140 -3.840 0.228 24 1HB PRO 6 2HB PRO 6 6.074 -6.603 0.837 25 2HB PRO 6 1HB PRO 6 6.200 -5.678 -0.663 26 1HG PRO 6 2HG PRO 6 8.329 -6.031 0.893 27 2HG PRO 6 1HG PRO 6 8.048 -4.483 0.074 28 1HD PRO 6 2HD PRO 6 7.636 -5.218 2.940 29 2HD PRO 6 1HD PRO 6 8.211 -3.692 2.235 30 H VAL 7 H VAL 7 5.007 -6.033 3.015 31 HA VAL 7 HA VAL 7 2.529 -7.233 2.374 32 HB VAL 7 HB VAL 7 3.580 -6.856 5.177 33 1HG1 VAL 7 1HG1 VAL 7 2.349 -8.772 5.737 34 2HG1 VAL 7 2HG1 VAL 7 2.122 -9.227 4.047 35 3HG1 VAL 7 3HG1 VAL 7 1.275 -7.828 4.705 36 1HG2 VAL 7 1HG2 VAL 7 5.455 -7.683 3.954 37 2HG2 VAL 7 2HG2 VAL 7 4.455 -8.857 3.098 38 3HG2 VAL 7 3HG2 VAL 7 4.757 -9.048 4.825 39 H CYS 8 H CYS 8 3.414 -4.591 4.555 40 HA CYS 8 HA CYS 8 0.908 -3.979 5.571 41 1HB CYS 8 2HB CYS 8 3.255 -3.046 6.186 42 2HB CYS 8 1HB CYS 8 2.921 -1.839 4.945 43 H HIS 9 H HIS 9 2.495 -2.814 2.627 44 HA HIS 9 HA HIS 9 0.639 -0.885 1.867 45 1HB HIS 9 2HB HIS 9 2.889 -1.411 0.796 46 2HB HIS 9 1HB HIS 9 2.060 -2.697 -0.078 47 HD1 HIS 9 1HD HIS 9 -0.399 -1.470 -1.164 48 HD2 HIS 9 2HD HIS 9 3.148 0.683 -0.873 49 HE1 HIS 9 1HE HIS 9 -0.601 0.394 -2.837 50 HE2 HIS 9 2HE HIS 9 1.483 1.773 -2.525 51 H LEU 10 H LEU 10 0.674 -4.356 1.106 52 HA LEU 10 HA LEU 10 -1.778 -4.200 -0.392 53 1HB LEU 10 2HB LEU 10 -0.021 -5.840 -0.920 54 2HB LEU 10 1HB LEU 10 -0.267 -6.603 0.639 55 HG LEU 10 HG LEU 10 -2.580 -7.185 -0.044 56 1HD1 LEU 10 1HD1 LEU 10 -1.856 -6.491 -2.857 57 2HD1 LEU 10 2HD1 LEU 10 -2.562 -5.267 -1.801 58 3HD1 LEU 10 3HD1 LEU 10 -3.445 -6.757 -2.139 59 1HD2 LEU 10 1HD2 LEU 10 -1.138 -8.390 -2.248 60 2HD2 LEU 10 2HD2 LEU 10 -1.790 -9.129 -0.786 61 3HD2 LEU 10 3HD2 LEU 10 -0.192 -8.387 -0.760 62 H GLU 11 H GLU 11 -0.845 -5.635 2.714 63 HA GLU 11 HA GLU 11 -3.335 -6.599 3.513 64 1HB GLU 11 2HB GLU 11 -1.183 -7.153 4.582 65 2HB GLU 11 1HB GLU 11 -1.077 -5.520 5.212 66 1HG GLU 11 2HG GLU 11 -3.165 -5.952 6.497 67 2HG GLU 11 1HG GLU 11 -3.079 -7.631 5.961 68 H HIS 12 H HIS 12 -1.875 -3.423 3.901 69 HA HIS 12 HA HIS 12 -4.415 -2.437 5.012 70 1HB HIS 12 2HB HIS 12 -1.637 -1.282 5.344 71 2HB HIS 12 1HB HIS 12 -3.112 -0.634 6.052 72 HD1 HIS 12 1HD HIS 12 -4.292 -2.186 7.870 73 HD2 HIS 12 2HD HIS 12 -0.445 -3.310 6.778 74 HE1 HIS 12 1HE HIS 12 -3.553 -3.828 9.616 75 HE2 HIS 12 2HE HIS 12 -1.395 -4.752 8.708 76 H SER 13 H SER 13 -4.545 -2.690 2.417 77 HA SER 13 HA SER 13 -3.494 -0.674 0.792 78 1HB SER 13 2HB SER 13 -6.063 -2.249 0.540 79 2HB SER 13 1HB SER 13 -5.434 -1.191 -0.722 80 HG SER 13 HG SER 13 -4.207 -3.520 0.355 81 H ASN 14 H ASN 14 -6.095 -0.633 3.076 82 HA ASN 14 HA ASN 14 -7.484 1.643 2.153 83 1HB ASN 14 2HB ASN 14 -8.483 1.741 4.358 84 2HB ASN 14 1HB ASN 14 -8.369 0.056 3.865 85 1HD2 ASN 14 1HD2 ASN 14 -8.055 2.013 6.408 86 2HD2 ASN 14 2HD2 ASN 14 -6.893 1.140 7.339 87 H LEU 15 H LEU 15 -4.653 1.215 4.197 88 HA LEU 15 HA LEU 15 -4.449 4.027 4.818 89 1HB LEU 15 2HB LEU 15 -2.459 1.779 5.185 90 2HB LEU 15 1HB LEU 15 -2.279 3.401 5.823 91 HG LEU 15 HG LEU 15 -4.443 1.446 6.612 92 1HD1 LEU 15 1HD1 LEU 15 -2.550 0.595 7.618 93 2HD1 LEU 15 2HD1 LEU 15 -3.140 1.714 8.847 94 3HD1 LEU 15 3HD1 LEU 15 -1.802 2.181 7.797 95 1HD2 LEU 15 1HD2 LEU 15 -3.768 4.014 8.001 96 2HD2 LEU 15 2HD2 LEU 15 -5.224 3.031 8.131 97 3HD2 LEU 15 3HD2 LEU 15 -4.924 3.972 6.670 98 H CYS 16 H CYS 16 -2.647 1.678 2.875 99 HA CYS 16 HA CYS 16 -1.098 3.737 1.578 100 1HB CYS 16 2HB CYS 16 -1.201 0.751 1.444 101 2HB CYS 16 1HB CYS 16 -0.368 1.649 0.181 102 H GLY 17 H GLY 17 -3.802 4.130 1.224 103 1HA GLY 17 2HA GLY 17 -3.947 4.488 -1.587 104 2HA GLY 17 1HA GLY 17 -4.999 3.171 -1.076 105 H GLY 18 H GLY 18 -4.239 5.955 0.886 106 1HA GLY 18 2HA GLY 18 -6.317 7.666 0.253 107 2HA GLY 18 1HA GLY 18 -6.976 6.510 1.402 108 H ALA 19 H ALA 19 -4.868 6.106 3.100 109 HA ALA 19 HA ALA 19 -4.798 8.659 4.502 110 1HB ALA 19 1HB ALA 19 -5.487 6.706 5.763 111 2HB ALA 19 2HB ALA 19 -3.971 7.338 6.407 112 3HB ALA 19 3HB ALA 19 -3.964 5.899 5.388 113 H ALA 20 H ALA 20 -3.137 8.000 2.112 114 HA ALA 20 HA ALA 20 -1.063 8.384 1.280 115 1HB ALA 20 1HB ALA 20 -0.983 10.533 2.030 116 2HB ALA 20 2HB ALA 20 0.405 9.872 2.894 117 3HB ALA 20 3HB ALA 20 -1.139 10.069 3.725 118 H GLY 21 H GLY 21 -1.527 6.025 3.039 119 1HA GLY 21 2HA GLY 21 -0.247 4.187 3.566 120 2HA GLY 21 1HA GLY 21 1.174 5.084 3.064 121 H GLY 22 H GLY 22 1.362 7.137 4.765 122 1HA GLY 22 2HA GLY 22 2.011 7.729 6.889 123 2HA GLY 22 1HA GLY 22 0.820 6.581 7.480 Start of MODEL 2 1 1H GLY 1 H GLY 1 4.579 5.450 4.899 2 1HA GLY 1 2HA GLY 1 6.856 5.050 5.579 3 2HA GLY 1 1HA GLY 1 6.332 5.151 7.252 4 H CYS 2 H CYS 2 4.187 3.506 7.296 5 HA CYS 2 HA CYS 2 5.348 0.924 7.438 6 1HB CYS 2 2HB CYS 2 3.395 1.751 8.799 7 2HB CYS 2 1HB CYS 2 2.403 1.623 7.358 8 H CYS 3 H CYS 3 3.407 2.603 5.113 9 HA CYS 3 HA CYS 3 2.666 0.517 3.429 10 1HB CYS 3 2HB CYS 3 3.219 3.407 2.764 11 2HB CYS 3 1HB CYS 3 2.342 2.274 1.736 12 H SER 4 H SER 4 5.769 1.888 3.922 13 HA SER 4 HA SER 4 6.902 1.412 1.374 14 1HB SER 4 2HB SER 4 8.270 1.424 4.079 15 2HB SER 4 1HB SER 4 9.056 1.619 2.512 16 HG SER 4 HG SER 4 8.751 3.654 3.256 17 H ASN 5 H ASN 5 6.022 -0.595 4.026 18 HA ASN 5 HA ASN 5 7.642 -2.847 3.147 19 1HB ASN 5 2HB ASN 5 5.510 -2.689 5.299 20 2HB ASN 5 1HB ASN 5 6.583 -4.054 5.017 21 1HD2 ASN 5 1HD2 ASN 5 8.249 -4.161 6.333 22 2HD2 ASN 5 2HD2 ASN 5 9.012 -2.830 7.123 23 HA PRO 6 HA PRO 6 4.708 -4.168 0.096 24 1HB PRO 6 2HB PRO 6 5.348 -6.889 0.347 25 2HB PRO 6 1HB PRO 6 6.092 -5.737 -0.761 26 1HG PRO 6 2HG PRO 6 7.039 -6.699 1.894 27 2HG PRO 6 1HG PRO 6 7.976 -6.285 0.447 28 1HD PRO 6 2HD PRO 6 7.877 -4.636 2.550 29 2HD PRO 6 1HD PRO 6 7.876 -4.003 0.889 30 H VAL 7 H VAL 7 4.949 -6.008 3.134 31 HA VAL 7 HA VAL 7 2.445 -7.288 2.929 32 HB VAL 7 HB VAL 7 3.742 -6.515 5.536 33 1HG1 VAL 7 1HG1 VAL 7 2.465 -9.148 5.080 34 2HG1 VAL 7 2HG1 VAL 7 1.407 -7.739 5.154 35 3HG1 VAL 7 3HG1 VAL 7 2.469 -8.118 6.512 36 1HG2 VAL 7 1HG2 VAL 7 5.574 -7.643 4.942 37 2HG2 VAL 7 2HG2 VAL 7 4.829 -8.186 3.439 38 3HG2 VAL 7 3HG2 VAL 7 4.581 -9.100 4.925 39 H CYS 8 H CYS 8 3.460 -4.452 4.783 40 HA CYS 8 HA CYS 8 0.942 -3.782 5.790 41 1HB CYS 8 2HB CYS 8 3.150 -2.916 6.608 42 2HB CYS 8 1HB CYS 8 3.194 -1.857 5.203 43 H HIS 9 H HIS 9 2.585 -2.737 2.825 44 HA HIS 9 HA HIS 9 0.703 -0.799 2.051 45 1HB HIS 9 2HB HIS 9 3.016 -1.228 1.055 46 2HB HIS 9 1HB HIS 9 2.254 -2.508 0.115 47 HD1 HIS 9 1HD HIS 9 -0.233 -1.278 -0.970 48 HD2 HIS 9 2HD HIS 9 3.299 0.888 -0.590 49 HE1 HIS 9 1HE HIS 9 -0.427 0.624 -2.602 50 HE2 HIS 9 2HE HIS 9 1.637 2.016 -2.223 51 H LEU 10 H LEU 10 0.916 -4.249 1.197 52 HA LEU 10 HA LEU 10 -1.433 -4.159 -0.427 53 1HB LEU 10 2HB LEU 10 0.399 -6.292 0.533 54 2HB LEU 10 1HB LEU 10 -1.191 -6.774 -0.023 55 HG LEU 10 HG LEU 10 0.419 -6.991 -1.818 56 1HD1 LEU 10 1HD1 LEU 10 -0.935 -4.611 -2.831 57 2HD1 LEU 10 2HD1 LEU 10 -2.000 -5.745 -2.001 58 3HD1 LEU 10 3HD1 LEU 10 -1.027 -6.289 -3.367 59 1HD2 LEU 10 1HD2 LEU 10 2.140 -5.486 -1.318 60 2HD2 LEU 10 2HD2 LEU 10 1.032 -4.118 -1.203 61 3HD2 LEU 10 3HD2 LEU 10 1.391 -4.832 -2.775 62 H GLU 11 H GLU 11 -0.775 -5.460 2.819 63 HA GLU 11 HA GLU 11 -3.360 -6.434 3.323 64 1HB GLU 11 2HB GLU 11 -1.426 -7.056 4.678 65 2HB GLU 11 1HB GLU 11 -1.262 -5.399 5.242 66 1HG GLU 11 2HG GLU 11 -3.706 -5.767 6.095 67 2HG GLU 11 1HG GLU 11 -3.262 -7.471 5.991 68 H HIS 12 H HIS 12 -1.866 -3.308 4.071 69 HA HIS 12 HA HIS 12 -4.487 -2.289 4.901 70 1HB HIS 12 2HB HIS 12 -1.785 -0.973 5.223 71 2HB HIS 12 1HB HIS 12 -3.298 -0.472 5.964 72 HD1 HIS 12 1HD HIS 12 -4.297 -2.169 7.787 73 HD2 HIS 12 2HD HIS 12 -0.357 -2.848 6.655 74 HE1 HIS 12 1HE HIS 12 -3.350 -3.694 9.537 75 HE2 HIS 12 2HE HIS 12 -1.107 -4.358 8.609 76 H SER 13 H SER 13 -4.329 -2.684 2.213 77 HA SER 13 HA SER 13 -3.344 -0.553 0.682 78 1HB SER 13 2HB SER 13 -5.652 -2.438 0.178 79 2HB SER 13 1HB SER 13 -5.066 -1.281 -1.016 80 HG SER 13 HG SER 13 -3.777 -3.552 0.052 81 H ASN 14 H ASN 14 -6.131 -0.814 2.693 82 HA ASN 14 HA ASN 14 -7.698 1.263 1.601 83 1HB ASN 14 2HB ASN 14 -8.926 1.219 3.688 84 2HB ASN 14 1HB ASN 14 -8.551 -0.433 3.216 85 1HD2 ASN 14 1HD2 ASN 14 -8.774 1.501 5.775 86 2HD2 ASN 14 2HD2 ASN 14 -7.608 0.780 6.826 87 H LEU 15 H LEU 15 -5.007 1.216 3.854 88 HA LEU 15 HA LEU 15 -5.268 4.088 4.342 89 1HB LEU 15 2HB LEU 15 -3.290 2.073 5.423 90 2HB LEU 15 1HB LEU 15 -3.389 3.755 5.908 91 HG LEU 15 HG LEU 15 -5.564 1.705 6.332 92 1HD1 LEU 15 1HD1 LEU 15 -3.740 1.142 7.746 93 2HD1 LEU 15 2HD1 LEU 15 -4.923 1.994 8.739 94 3HD1 LEU 15 3HD1 LEU 15 -3.474 2.830 8.181 95 1HD2 LEU 15 1HD2 LEU 15 -6.512 3.896 6.121 96 2HD2 LEU 15 2HD2 LEU 15 -5.289 4.579 7.194 97 3HD2 LEU 15 3HD2 LEU 15 -6.496 3.462 7.831 98 H CYS 16 H CYS 16 -3.125 1.723 2.900 99 HA CYS 16 HA CYS 16 -1.226 3.694 1.993 100 1HB CYS 16 2HB CYS 16 -1.454 0.729 1.448 101 2HB CYS 16 1HB CYS 16 -0.092 1.745 0.983 102 H GLY 17 H GLY 17 -3.751 4.264 1.024 103 1HA GLY 17 2HA GLY 17 -4.044 3.260 -1.659 104 2HA GLY 17 1HA GLY 17 -4.998 4.530 -0.907 105 H GLY 18 H GLY 18 -3.388 4.138 -3.526 106 1HA GLY 18 2HA GLY 18 -2.354 5.556 -5.004 107 2HA GLY 18 1HA GLY 18 -2.783 6.865 -3.917 108 H ALA 19 H ALA 19 -1.163 7.957 -3.107 109 HA ALA 19 HA ALA 19 1.525 7.395 -3.582 110 1HB ALA 19 1HB ALA 19 0.039 9.359 -1.947 111 2HB ALA 19 2HB ALA 19 1.264 9.613 -3.190 112 3HB ALA 19 3HB ALA 19 1.745 9.126 -1.566 113 H ALA 20 H ALA 20 -0.527 6.604 -0.881 114 HA ALA 20 HA ALA 20 -0.284 5.232 0.904 115 1HB ALA 20 1HB ALA 20 0.415 3.332 -0.027 116 2HB ALA 20 2HB ALA 20 2.013 3.767 0.578 117 3HB ALA 20 3HB ALA 20 1.561 4.163 -1.079 118 H GLY 21 H GLY 21 0.568 7.767 1.323 119 1HA GLY 21 2HA GLY 21 3.213 7.873 2.425 120 2HA GLY 21 1HA GLY 21 1.955 9.090 2.617 121 H GLY 22 H GLY 22 3.881 7.313 4.423 122 1HA GLY 22 2HA GLY 22 2.571 7.597 6.807 123 2HA GLY 22 1HA GLY 22 2.023 6.042 6.203 Start of MODEL 3 1 1H GLY 1 H GLY 1 3.914 4.946 5.462 2 1HA GLY 1 2HA GLY 1 6.382 4.426 6.520 3 2HA GLY 1 1HA GLY 1 5.311 4.424 7.918 4 H CYS 2 H CYS 2 3.045 3.434 6.626 5 HA CYS 2 HA CYS 2 3.422 0.655 6.859 6 1HB CYS 2 2HB CYS 2 1.279 1.786 7.268 7 2HB CYS 2 1HB CYS 2 1.175 2.228 5.574 8 H CYS 3 H CYS 3 3.091 2.792 4.088 9 HA CYS 3 HA CYS 3 3.017 0.875 2.071 10 1HB CYS 3 2HB CYS 3 4.060 3.703 1.947 11 2HB CYS 3 1HB CYS 3 3.616 2.710 0.557 12 H SER 4 H SER 4 5.728 2.041 3.891 13 HA SER 4 HA SER 4 7.789 1.422 2.081 14 1HB SER 4 2HB SER 4 7.929 1.239 5.099 15 2HB SER 4 1HB SER 4 9.257 1.556 3.982 16 HG SER 4 HG SER 4 8.732 3.586 3.991 17 H ASN 5 H ASN 5 5.934 -0.489 4.346 18 HA ASN 5 HA ASN 5 7.516 -2.881 3.840 19 1HB ASN 5 2HB ASN 5 5.141 -2.327 5.626 20 2HB ASN 5 1HB ASN 5 5.820 -3.936 5.407 21 1HD2 ASN 5 1HD2 ASN 5 5.883 -1.222 7.286 22 2HD2 ASN 5 2HD2 ASN 5 7.402 -1.463 8.068 23 HA PRO 6 HA PRO 6 5.029 -3.947 0.298 24 1HB PRO 6 2HB PRO 6 5.972 -6.681 0.993 25 2HB PRO 6 1HB PRO 6 6.070 -5.812 -0.542 26 1HG PRO 6 2HG PRO 6 8.231 -6.127 0.982 27 2HG PRO 6 1HG PRO 6 7.947 -4.612 0.104 28 1HD PRO 6 2HD PRO 6 7.580 -5.221 3.007 29 2HD PRO 6 1HD PRO 6 8.168 -3.736 2.229 30 H VAL 7 H VAL 7 4.981 -6.039 3.172 31 HA VAL 7 HA VAL 7 2.490 -7.258 2.646 32 HB VAL 7 HB VAL 7 3.633 -6.783 5.397 33 1HG1 VAL 7 1HG1 VAL 7 2.520 -8.886 5.941 34 2HG1 VAL 7 2HG1 VAL 7 1.933 -9.011 4.282 35 3HG1 VAL 7 3HG1 VAL 7 1.373 -7.699 5.318 36 1HG2 VAL 7 1HG2 VAL 7 5.225 -8.380 5.142 37 2HG2 VAL 7 2HG2 VAL 7 5.144 -7.857 3.461 38 3HG2 VAL 7 3HG2 VAL 7 4.273 -9.301 3.977 39 H CYS 8 H CYS 8 3.413 -4.535 4.704 40 HA CYS 8 HA CYS 8 0.888 -3.925 5.723 41 1HB CYS 8 2HB CYS 8 3.244 -3.005 6.352 42 2HB CYS 8 1HB CYS 8 2.915 -1.796 5.114 43 H HIS 9 H HIS 9 2.560 -2.708 2.843 44 HA HIS 9 HA HIS 9 0.638 -0.847 2.024 45 1HB HIS 9 2HB HIS 9 2.990 -1.180 1.108 46 2HB HIS 9 1HB HIS 9 2.329 -2.508 0.157 47 HD1 HIS 9 1HD HIS 9 -0.185 -1.371 -1.013 48 HD2 HIS 9 2HD HIS 9 3.288 0.881 -0.602 49 HE1 HIS 9 1HE HIS 9 -0.373 0.477 -2.708 50 HE2 HIS 9 2HE HIS 9 1.660 1.914 -2.326 51 H LEU 10 H LEU 10 0.980 -4.282 1.234 52 HA LEU 10 HA LEU 10 -1.233 -4.334 -0.555 53 1HB LEU 10 2HB LEU 10 0.618 -5.939 -0.671 54 2HB LEU 10 1HB LEU 10 0.151 -6.596 0.884 55 HG LEU 10 HG LEU 10 -2.013 -7.311 -0.109 56 1HD1 LEU 10 1HD1 LEU 10 -0.931 -6.952 -2.842 57 2HD1 LEU 10 2HD1 LEU 10 -1.598 -5.528 -2.041 58 3HD1 LEU 10 3HD1 LEU 10 -2.600 -6.960 -2.271 59 1HD2 LEU 10 1HD2 LEU 10 -0.998 -9.258 -0.409 60 2HD2 LEU 10 2HD2 LEU 10 0.556 -8.425 -0.449 61 3HD2 LEU 10 3HD2 LEU 10 -0.335 -8.705 -1.947 62 H GLU 11 H GLU 11 -0.833 -5.655 2.730 63 HA GLU 11 HA GLU 11 -3.476 -6.524 3.067 64 1HB GLU 11 2HB GLU 11 -1.692 -7.307 4.495 65 2HB GLU 11 1HB GLU 11 -1.390 -5.679 5.081 66 1HG GLU 11 2HG GLU 11 -3.915 -5.867 5.835 67 2HG GLU 11 1HG GLU 11 -3.542 -7.591 5.796 68 H HIS 12 H HIS 12 -1.913 -3.531 4.144 69 HA HIS 12 HA HIS 12 -4.486 -2.454 4.977 70 1HB HIS 12 2HB HIS 12 -1.714 -1.261 5.193 71 2HB HIS 12 1HB HIS 12 -3.176 -0.611 5.927 72 HD1 HIS 12 1HD HIS 12 -4.310 -2.216 7.781 73 HD2 HIS 12 2HD HIS 12 -0.414 -3.151 6.689 74 HE1 HIS 12 1HE HIS 12 -3.471 -3.769 9.562 75 HE2 HIS 12 2HE HIS 12 -1.272 -4.589 8.654 76 H SER 13 H SER 13 -4.884 -2.730 2.510 77 HA SER 13 HA SER 13 -3.886 -0.959 0.618 78 1HB SER 13 2HB SER 13 -6.775 -1.797 0.659 79 2HB SER 13 1HB SER 13 -5.705 -1.595 -0.727 80 HG SER 13 HG SER 13 -4.487 -3.422 0.425 81 H ASN 14 H ASN 14 -6.355 -0.499 3.069 82 HA ASN 14 HA ASN 14 -7.411 1.927 2.081 83 1HB ASN 14 2HB ASN 14 -8.471 2.178 4.234 84 2HB ASN 14 1HB ASN 14 -8.546 0.485 3.769 85 1HD2 ASN 14 1HD2 ASN 14 -8.173 2.379 6.318 86 2HD2 ASN 14 2HD2 ASN 14 -7.143 1.405 7.303 87 H LEU 15 H LEU 15 -4.821 1.235 4.406 88 HA LEU 15 HA LEU 15 -4.310 3.961 5.035 89 1HB LEU 15 2HB LEU 15 -2.532 1.532 5.286 90 2HB LEU 15 1HB LEU 15 -2.173 3.106 5.968 91 HG LEU 15 HG LEU 15 -4.504 1.345 6.738 92 1HD1 LEU 15 1HD1 LEU 15 -2.607 2.020 8.810 93 2HD1 LEU 15 2HD1 LEU 15 -1.835 1.160 7.478 94 3HD1 LEU 15 3HD1 LEU 15 -3.216 0.443 8.307 95 1HD2 LEU 15 1HD2 LEU 15 -5.418 3.264 7.427 96 2HD2 LEU 15 2HD2 LEU 15 -3.919 4.165 7.194 97 3HD2 LEU 15 3HD2 LEU 15 -4.180 3.258 8.684 98 H CYS 16 H CYS 16 -2.819 1.633 2.849 99 HA CYS 16 HA CYS 16 -1.168 3.727 1.680 100 1HB CYS 16 2HB CYS 16 -1.178 0.735 1.529 101 2HB CYS 16 1HB CYS 16 -0.314 1.681 0.321 102 H GLY 17 H GLY 17 -3.705 4.258 1.243 103 1HA GLY 17 2HA GLY 17 -3.889 4.133 -1.638 104 2HA GLY 17 1HA GLY 17 -5.197 3.321 -0.784 105 H GLY 18 H GLY 18 -5.469 5.025 1.412 106 1HA GLY 18 2HA GLY 18 -5.706 7.747 0.577 107 2HA GLY 18 1HA GLY 18 -7.253 6.914 0.512 108 H ALA 19 H ALA 19 -4.504 6.988 2.811 109 HA ALA 19 HA ALA 19 -6.302 7.998 4.853 110 1HB ALA 19 1HB ALA 19 -5.515 5.228 4.711 111 2HB ALA 19 2HB ALA 19 -6.689 6.012 5.767 112 3HB ALA 19 3HB ALA 19 -4.986 5.973 6.219 113 H ALA 20 H ALA 20 -3.197 6.343 5.137 114 HA ALA 20 HA ALA 20 -1.581 8.658 5.231 115 1HB ALA 20 1HB ALA 20 -1.229 8.023 7.901 116 2HB ALA 20 2HB ALA 20 -2.981 8.001 7.690 117 3HB ALA 20 3HB ALA 20 -2.059 9.444 7.263 118 H GLY 21 H GLY 21 -0.900 6.611 3.856 119 1HA GLY 21 2HA GLY 21 0.489 4.559 5.323 120 2HA GLY 21 1HA GLY 21 0.497 4.783 3.582 121 H GLY 22 H GLY 22 1.498 6.990 6.182 122 1HA GLY 22 2HA GLY 22 3.961 7.594 4.794 123 2HA GLY 22 1HA GLY 22 3.401 8.316 6.295 Start of MODEL 4 1 1H GLY 1 H GLY 1 5.718 4.394 5.539 2 1HA GLY 1 2HA GLY 1 7.514 2.887 7.140 3 2HA GLY 1 1HA GLY 1 6.148 3.414 8.107 4 H CYS 2 H CYS 2 3.994 2.857 7.259 5 HA CYS 2 HA CYS 2 3.755 0.108 6.830 6 1HB CYS 2 2HB CYS 2 1.979 1.541 7.793 7 2HB CYS 2 1HB CYS 2 1.709 2.246 6.207 8 H CYS 3 H CYS 3 3.492 2.799 4.563 9 HA CYS 3 HA CYS 3 2.821 1.252 2.312 10 1HB CYS 3 2HB CYS 3 4.235 3.922 2.370 11 2HB CYS 3 1HB CYS 3 3.385 3.224 0.995 12 H SER 4 H SER 4 5.874 2.074 3.776 13 HA SER 4 HA SER 4 7.571 1.387 1.635 14 1HB SER 4 2HB SER 4 8.212 1.206 4.584 15 2HB SER 4 1HB SER 4 9.339 1.478 3.254 16 HG SER 4 HG SER 4 8.961 3.516 3.515 17 H ASN 5 H ASN 5 6.019 -0.478 4.164 18 HA ASN 5 HA ASN 5 7.504 -2.880 3.473 19 1HB ASN 5 2HB ASN 5 5.328 -2.346 5.504 20 2HB ASN 5 1HB ASN 5 6.007 -3.943 5.219 21 1HD2 ASN 5 1HD2 ASN 5 7.473 -4.491 6.654 22 2HD2 ASN 5 2HD2 ASN 5 8.575 -3.426 7.446 23 HA PRO 6 HA PRO 6 4.682 -3.931 0.203 24 1HB PRO 6 2HB PRO 6 5.340 -6.643 0.246 25 2HB PRO 6 1HB PRO 6 6.145 -5.399 -0.712 26 1HG PRO 6 2HG PRO 6 6.940 -6.591 1.903 27 2HG PRO 6 1HG PRO 6 7.957 -6.078 0.545 28 1HD PRO 6 2HD PRO 6 7.747 -4.599 2.766 29 2HD PRO 6 1HD PRO 6 7.870 -3.843 1.163 30 H VAL 7 H VAL 7 4.906 -5.951 3.115 31 HA VAL 7 HA VAL 7 2.415 -7.248 2.808 32 HB VAL 7 HB VAL 7 3.679 -6.644 5.472 33 1HG1 VAL 7 1HG1 VAL 7 2.276 -8.157 6.307 34 2HG1 VAL 7 2HG1 VAL 7 2.604 -9.305 5.009 35 3HG1 VAL 7 3HG1 VAL 7 1.405 -8.032 4.778 36 1HG2 VAL 7 1HG2 VAL 7 4.663 -8.418 3.301 37 2HG2 VAL 7 2HG2 VAL 7 4.742 -9.031 4.953 38 3HG2 VAL 7 3HG2 VAL 7 5.561 -7.526 4.530 39 H CYS 8 H CYS 8 3.410 -4.501 4.808 40 HA CYS 8 HA CYS 8 0.884 -3.945 5.879 41 1HB CYS 8 2HB CYS 8 3.237 -3.077 6.570 42 2HB CYS 8 1HB CYS 8 2.930 -1.796 5.404 43 H HIS 9 H HIS 9 2.504 -2.710 2.974 44 HA HIS 9 HA HIS 9 0.533 -0.808 2.287 45 1HB HIS 9 2HB HIS 9 2.859 -0.962 1.321 46 2HB HIS 9 1HB HIS 9 2.298 -2.330 0.364 47 HD1 HIS 9 1HD HIS 9 -0.067 -1.563 -1.074 48 HD2 HIS 9 2HD HIS 9 2.768 1.316 -0.100 49 HE1 HIS 9 1HE HIS 9 -0.454 0.333 -2.676 50 HE2 HIS 9 2HE HIS 9 1.093 2.157 -1.884 51 H LEU 10 H LEU 10 0.984 -4.191 1.297 52 HA LEU 10 HA LEU 10 -1.262 -4.257 -0.436 53 1HB LEU 10 2HB LEU 10 0.600 -5.835 -0.611 54 2HB LEU 10 1HB LEU 10 0.187 -6.510 0.952 55 HG LEU 10 HG LEU 10 -1.997 -7.247 0.005 56 1HD1 LEU 10 1HD1 LEU 10 -2.003 -5.550 -1.838 57 2HD1 LEU 10 2HD1 LEU 10 -2.406 -7.193 -2.338 58 3HD1 LEU 10 3HD1 LEU 10 -0.800 -6.539 -2.664 59 1HD2 LEU 10 1HD2 LEU 10 0.528 -8.241 -1.305 60 2HD2 LEU 10 2HD2 LEU 10 -1.023 -9.076 -1.381 61 3HD2 LEU 10 3HD2 LEU 10 -0.221 -8.843 0.173 62 H GLU 11 H GLU 11 -0.804 -5.531 2.863 63 HA GLU 11 HA GLU 11 -3.429 -6.477 3.211 64 1HB GLU 11 2HB GLU 11 -1.587 -7.169 4.649 65 2HB GLU 11 1HB GLU 11 -1.401 -5.526 5.245 66 1HG GLU 11 2HG GLU 11 -3.887 -5.831 5.987 67 2HG GLU 11 1HG GLU 11 -3.496 -7.546 5.866 68 H HIS 12 H HIS 12 -1.909 -3.422 4.175 69 HA HIS 12 HA HIS 12 -4.533 -2.346 4.896 70 1HB HIS 12 2HB HIS 12 -1.805 -1.112 5.323 71 2HB HIS 12 1HB HIS 12 -3.326 -0.570 6.020 72 HD1 HIS 12 1HD HIS 12 -4.416 -2.207 7.825 73 HD2 HIS 12 2HD HIS 12 -0.508 -3.103 6.730 74 HE1 HIS 12 1HE HIS 12 -3.581 -3.803 9.569 75 HE2 HIS 12 2HE HIS 12 -1.367 -4.585 8.663 76 H SER 13 H SER 13 -4.383 -2.686 2.234 77 HA SER 13 HA SER 13 -3.285 -0.571 0.742 78 1HB SER 13 2HB SER 13 -5.634 -2.389 0.174 79 2HB SER 13 1HB SER 13 -5.008 -1.224 -0.994 80 HG SER 13 HG SER 13 -3.756 -3.526 0.070 81 H ASN 14 H ASN 14 -6.072 -0.764 2.739 82 HA ASN 14 HA ASN 14 -7.564 1.381 1.651 83 1HB ASN 14 2HB ASN 14 -8.838 1.325 3.710 84 2HB ASN 14 1HB ASN 14 -8.500 -0.328 3.212 85 1HD2 ASN 14 1HD2 ASN 14 -8.690 1.590 5.802 86 2HD2 ASN 14 2HD2 ASN 14 -7.577 0.802 6.860 87 H LEU 15 H LEU 15 -4.905 1.177 3.925 88 HA LEU 15 HA LEU 15 -5.097 4.015 4.570 89 1HB LEU 15 2HB LEU 15 -3.125 1.911 5.470 90 2HB LEU 15 1HB LEU 15 -3.179 3.562 6.058 91 HG LEU 15 HG LEU 15 -5.387 1.533 6.413 92 1HD1 LEU 15 1HD1 LEU 15 -3.139 2.423 8.189 93 2HD1 LEU 15 2HD1 LEU 15 -3.644 0.784 7.777 94 3HD1 LEU 15 3HD1 LEU 15 -4.638 1.770 8.848 95 1HD2 LEU 15 1HD2 LEU 15 -6.648 3.303 6.881 96 2HD2 LEU 15 2HD2 LEU 15 -5.272 4.396 6.724 97 3HD2 LEU 15 3HD2 LEU 15 -5.603 3.609 8.268 98 H CYS 16 H CYS 16 -2.785 1.759 3.125 99 HA CYS 16 HA CYS 16 -1.237 3.999 2.097 100 1HB CYS 16 2HB CYS 16 -0.684 1.090 2.484 101 2HB CYS 16 1HB CYS 16 0.249 1.992 1.293 102 H GLY 17 H GLY 17 -3.591 3.981 0.868 103 1HA GLY 17 2HA GLY 17 -3.889 2.392 -1.422 104 2HA GLY 17 1HA GLY 17 -4.522 4.026 -1.245 105 H GLY 18 H GLY 18 -2.134 5.395 -0.910 106 1HA GLY 18 2HA GLY 18 -0.989 5.178 -3.613 107 2HA GLY 18 1HA GLY 18 -1.027 6.646 -2.643 108 H ALA 19 H ALA 19 0.906 7.198 -1.946 109 HA ALA 19 HA ALA 19 2.609 5.246 -0.642 110 1HB ALA 19 1HB ALA 19 3.683 4.908 -2.633 111 2HB ALA 19 2HB ALA 19 4.562 6.333 -2.078 112 3HB ALA 19 3HB ALA 19 3.262 6.502 -3.256 113 H ALA 20 H ALA 20 1.199 7.242 0.531 114 HA ALA 20 HA ALA 20 3.136 9.397 1.016 115 1HB ALA 20 1HB ALA 20 0.212 9.304 0.889 116 2HB ALA 20 2HB ALA 20 1.318 10.650 0.621 117 3HB ALA 20 3HB ALA 20 0.848 10.208 2.262 118 H GLY 21 H GLY 21 3.384 6.766 2.136 119 1HA GLY 21 2HA GLY 21 3.145 7.472 4.992 120 2HA GLY 21 1HA GLY 21 2.753 5.857 4.416 121 H GLY 22 H GLY 22 5.054 7.554 5.933 122 1HA GLY 22 2HA GLY 22 7.379 6.393 4.651 123 2HA GLY 22 1HA GLY 22 7.380 7.475 6.036 Start of MODEL 5 1 1H GLY 1 H GLY 1 6.384 4.993 6.176 2 1HA GLY 1 2HA GLY 1 7.476 3.071 6.813 3 2HA GLY 1 1HA GLY 1 6.503 3.053 8.269 4 H CYS 2 H CYS 2 3.977 2.828 7.238 5 HA CYS 2 HA CYS 2 3.745 0.075 6.802 6 1HB CYS 2 2HB CYS 2 1.965 1.544 7.740 7 2HB CYS 2 1HB CYS 2 1.702 2.199 6.130 8 H CYS 3 H CYS 3 3.427 2.769 4.511 9 HA CYS 3 HA CYS 3 2.839 1.168 2.273 10 1HB CYS 3 2HB CYS 3 4.112 3.905 2.342 11 2HB CYS 3 1HB CYS 3 3.366 3.151 0.937 12 H SER 4 H SER 4 5.843 2.026 3.786 13 HA SER 4 HA SER 4 7.565 1.400 1.627 14 1HB SER 4 2HB SER 4 8.214 1.238 4.578 15 2HB SER 4 1HB SER 4 9.334 1.526 3.245 16 HG SER 4 HG SER 4 8.623 3.553 3.049 17 H ASN 5 H ASN 5 5.986 -0.461 4.108 18 HA ASN 5 HA ASN 5 7.500 -2.867 3.507 19 1HB ASN 5 2HB ASN 5 5.346 -2.186 5.497 20 2HB ASN 5 1HB ASN 5 5.816 -3.858 5.198 21 1HD2 ASN 5 1HD2 ASN 5 6.478 -1.064 6.937 22 2HD2 ASN 5 2HD2 ASN 5 7.998 -1.544 7.604 23 HA PRO 6 HA PRO 6 4.764 -4.007 0.182 24 1HB PRO 6 2HB PRO 6 5.797 -6.715 0.868 25 2HB PRO 6 1HB PRO 6 5.749 -5.890 -0.694 26 1HG PRO 6 2HG PRO 6 8.039 -6.120 0.633 27 2HG PRO 6 1HG PRO 6 7.641 -4.623 -0.232 28 1HD PRO 6 2HD PRO 6 7.530 -5.209 2.698 29 2HD PRO 6 1HD PRO 6 8.036 -3.725 1.863 30 H VAL 7 H VAL 7 4.922 -6.010 3.122 31 HA VAL 7 HA VAL 7 2.417 -7.271 2.766 32 HB VAL 7 HB VAL 7 3.657 -6.726 5.454 33 1HG1 VAL 7 1HG1 VAL 7 1.856 -7.900 6.056 34 2HG1 VAL 7 2HG1 VAL 7 2.721 -9.300 5.424 35 3HG1 VAL 7 3HG1 VAL 7 1.552 -8.455 4.410 36 1HG2 VAL 7 1HG2 VAL 7 4.962 -8.802 5.173 37 2HG2 VAL 7 2HG2 VAL 7 5.452 -7.545 4.037 38 3HG2 VAL 7 3HG2 VAL 7 4.442 -8.883 3.490 39 H CYS 8 H CYS 8 3.426 -4.561 4.814 40 HA CYS 8 HA CYS 8 0.906 -3.971 5.876 41 1HB CYS 8 2HB CYS 8 3.276 -3.105 6.538 42 2HB CYS 8 1HB CYS 8 2.948 -1.828 5.373 43 H HIS 9 H HIS 9 2.537 -2.775 2.971 44 HA HIS 9 HA HIS 9 0.623 -0.841 2.250 45 1HB HIS 9 2HB HIS 9 2.969 -1.182 1.293 46 2HB HIS 9 1HB HIS 9 2.257 -2.449 0.297 47 HD1 HIS 9 1HD HIS 9 -0.274 -1.178 -0.724 48 HD2 HIS 9 2HD HIS 9 3.296 0.923 -0.367 49 HE1 HIS 9 1HE HIS 9 -0.459 0.746 -2.332 50 HE2 HIS 9 2HE HIS 9 1.759 1.926 -2.192 51 H LEU 10 H LEU 10 0.941 -4.261 1.384 52 HA LEU 10 HA LEU 10 -1.289 -4.282 -0.387 53 1HB LEU 10 2HB LEU 10 0.717 -5.906 -0.224 54 2HB LEU 10 1HB LEU 10 -0.205 -6.700 1.035 55 HG LEU 10 HG LEU 10 -0.361 -7.747 -1.244 56 1HD1 LEU 10 1HD1 LEU 10 -2.028 -8.461 0.187 57 2HD1 LEU 10 2HD1 LEU 10 -2.941 -7.833 -1.185 58 3HD1 LEU 10 3HD1 LEU 10 -2.776 -6.867 0.281 59 1HD2 LEU 10 1HD2 LEU 10 -0.412 -5.709 -2.568 60 2HD2 LEU 10 2HD2 LEU 10 -1.968 -5.273 -1.861 61 3HD2 LEU 10 3HD2 LEU 10 -1.835 -6.701 -2.888 62 H GLU 11 H GLU 11 -0.859 -5.573 2.907 63 HA GLU 11 HA GLU 11 -3.499 -6.418 3.308 64 1HB GLU 11 2HB GLU 11 -1.653 -7.125 4.737 65 2HB GLU 11 1HB GLU 11 -1.432 -5.478 5.304 66 1HG GLU 11 2HG GLU 11 -3.905 -5.711 6.082 67 2HG GLU 11 1HG GLU 11 -3.575 -7.440 5.964 68 H HIS 12 H HIS 12 -1.901 -3.404 4.286 69 HA HIS 12 HA HIS 12 -4.507 -2.252 4.956 70 1HB HIS 12 2HB HIS 12 -1.783 -1.004 5.357 71 2HB HIS 12 1HB HIS 12 -3.302 -0.515 6.093 72 HD1 HIS 12 1HD HIS 12 -4.250 -2.064 7.997 73 HD2 HIS 12 2HD HIS 12 -0.456 -3.092 6.650 74 HE1 HIS 12 1HE HIS 12 -3.354 -3.687 9.685 75 HE2 HIS 12 2HE HIS 12 -1.232 -4.542 8.639 76 H SER 13 H SER 13 -4.300 -2.701 2.330 77 HA SER 13 HA SER 13 -3.144 -0.740 0.723 78 1HB SER 13 2HB SER 13 -5.231 -1.432 -0.784 79 2HB SER 13 1HB SER 13 -3.879 -2.534 -0.513 80 HG SER 13 HG SER 13 -5.152 -3.811 0.563 81 H ASN 14 H ASN 14 -6.162 -0.799 2.472 82 HA ASN 14 HA ASN 14 -7.378 1.465 1.330 83 1HB ASN 14 2HB ASN 14 -8.648 -0.114 2.675 84 2HB ASN 14 1HB ASN 14 -7.668 0.250 4.089 85 1HD2 ASN 14 1HD2 ASN 14 -10.452 1.006 2.363 86 2HD2 ASN 14 2HD2 ASN 14 -10.908 2.427 3.231 87 H LEU 15 H LEU 15 -5.140 1.089 4.054 88 HA LEU 15 HA LEU 15 -5.223 3.863 4.764 89 1HB LEU 15 2HB LEU 15 -3.221 1.720 5.490 90 2HB LEU 15 1HB LEU 15 -3.316 3.309 6.223 91 HG LEU 15 HG LEU 15 -5.445 1.175 6.383 92 1HD1 LEU 15 1HD1 LEU 15 -3.764 0.428 7.787 93 2HD1 LEU 15 2HD1 LEU 15 -4.771 1.390 8.870 94 3HD1 LEU 15 3HD1 LEU 15 -3.270 2.060 8.233 95 1HD2 LEU 15 1HD2 LEU 15 -5.350 3.716 7.972 96 2HD2 LEU 15 2HD2 LEU 15 -6.706 2.618 7.712 97 3HD2 LEU 15 3HD2 LEU 15 -6.141 3.649 6.396 98 H CYS 16 H CYS 16 -2.943 1.775 3.040 99 HA CYS 16 HA CYS 16 -1.290 4.053 2.354 100 1HB CYS 16 2HB CYS 16 -1.032 1.103 2.120 101 2HB CYS 16 1HB CYS 16 -0.122 2.097 0.983 102 H GLY 17 H GLY 17 -3.865 4.276 1.332 103 1HA GLY 17 2HA GLY 17 -4.044 3.424 -1.378 104 2HA GLY 17 1HA GLY 17 -5.003 4.693 -0.625 105 H GLY 18 H GLY 18 -2.925 6.376 0.188 106 1HA GLY 18 2HA GLY 18 -1.279 6.998 -2.104 107 2HA GLY 18 1HA GLY 18 -2.592 8.137 -1.829 108 H ALA 19 H ALA 19 -0.855 6.441 0.698 109 HA ALA 19 HA ALA 19 -0.217 8.925 1.997 110 1HB ALA 19 1HB ALA 19 1.089 7.058 3.464 111 2HB ALA 19 2HB ALA 19 -0.161 6.073 2.702 112 3HB ALA 19 3HB ALA 19 -0.611 7.474 3.674 113 H ALA 20 H ALA 20 1.497 6.397 0.311 114 HA ALA 20 HA ALA 20 3.567 6.206 -0.586 115 1HB ALA 20 1HB ALA 20 3.218 9.181 -0.592 116 2HB ALA 20 2HB ALA 20 3.160 8.048 -1.943 117 3HB ALA 20 3HB ALA 20 4.702 8.432 -1.179 118 H GLY 21 H GLY 21 3.331 6.138 2.310 119 1HA GLY 21 2HA GLY 21 5.989 5.912 3.023 120 2HA GLY 21 1HA GLY 21 5.519 7.546 3.466 121 H GLY 22 H GLY 22 5.469 7.459 5.618 122 1HA GLY 22 2HA GLY 22 4.682 7.011 7.722 123 2HA GLY 22 1HA GLY 22 3.279 6.293 6.948 Start of MODEL 6 1 1H GLY 1 H GLY 1 4.398 5.467 7.285 2 1HA GLY 1 2HA GLY 1 6.685 4.035 6.454 3 2HA GLY 1 1HA GLY 1 5.895 3.875 8.016 4 H CYS 2 H CYS 2 3.377 3.097 6.987 5 HA CYS 2 HA CYS 2 3.628 0.306 6.886 6 1HB CYS 2 2HB CYS 2 1.601 1.516 7.619 7 2HB CYS 2 1HB CYS 2 1.341 2.073 5.977 8 H CYS 3 H CYS 3 3.244 2.753 4.421 9 HA CYS 3 HA CYS 3 2.835 1.084 2.209 10 1HB CYS 3 2HB CYS 3 4.120 3.814 2.209 11 2HB CYS 3 1HB CYS 3 3.271 3.037 0.874 12 H SER 4 H SER 4 5.745 2.076 3.855 13 HA SER 4 HA SER 4 7.602 1.454 1.825 14 1HB SER 4 2HB SER 4 8.051 1.286 4.814 15 2HB SER 4 1HB SER 4 9.266 1.561 3.565 16 HG SER 4 HG SER 4 7.754 3.478 3.092 17 H ASN 5 H ASN 5 5.926 -0.472 4.214 18 HA ASN 5 HA ASN 5 7.508 -2.837 3.598 19 1HB ASN 5 2HB ASN 5 5.235 -2.342 5.523 20 2HB ASN 5 1HB ASN 5 5.907 -3.940 5.237 21 1HD2 ASN 5 1HD2 ASN 5 8.399 -1.820 4.895 22 2HD2 ASN 5 2HD2 ASN 5 9.020 -1.856 6.508 23 HA PRO 6 HA PRO 6 4.859 -3.938 0.199 24 1HB PRO 6 2HB PRO 6 5.537 -6.635 0.240 25 2HB PRO 6 1HB PRO 6 6.406 -5.374 -0.634 26 1HG PRO 6 2HG PRO 6 7.009 -6.606 2.015 27 2HG PRO 6 1HG PRO 6 8.124 -6.094 0.735 28 1HD PRO 6 2HD PRO 6 7.768 -4.626 2.950 29 2HD PRO 6 1HD PRO 6 8.015 -3.862 1.365 30 H VAL 7 H VAL 7 4.983 -6.047 3.063 31 HA VAL 7 HA VAL 7 2.490 -7.307 2.635 32 HB VAL 7 HB VAL 7 3.672 -6.829 5.360 33 1HG1 VAL 7 1HG1 VAL 7 2.071 -8.208 6.012 34 2HG1 VAL 7 2HG1 VAL 7 2.724 -9.470 4.967 35 3HG1 VAL 7 3HG1 VAL 7 1.503 -8.357 4.349 36 1HG2 VAL 7 1HG2 VAL 7 5.516 -7.976 4.876 37 2HG2 VAL 7 2HG2 VAL 7 5.022 -8.039 3.184 38 3HG2 VAL 7 3HG2 VAL 7 4.547 -9.329 4.291 39 H CYS 8 H CYS 8 3.466 -4.630 4.727 40 HA CYS 8 HA CYS 8 0.969 -4.071 5.834 41 1HB CYS 8 2HB CYS 8 3.345 -3.166 6.426 42 2HB CYS 8 1HB CYS 8 2.959 -1.899 5.265 43 H HIS 9 H HIS 9 2.523 -2.790 2.912 44 HA HIS 9 HA HIS 9 0.536 -0.914 2.255 45 1HB HIS 9 2HB HIS 9 2.850 -1.112 1.234 46 2HB HIS 9 1HB HIS 9 2.218 -2.445 0.270 47 HD1 HIS 9 1HD HIS 9 -0.353 -1.446 -0.836 48 HD2 HIS 9 2HD HIS 9 2.941 1.052 -0.365 49 HE1 HIS 9 1HE HIS 9 -0.708 0.450 -2.447 50 HE2 HIS 9 2HE HIS 9 1.203 2.031 -2.012 51 H LEU 10 H LEU 10 0.949 -4.302 1.281 52 HA LEU 10 HA LEU 10 -1.302 -4.370 -0.435 53 1HB LEU 10 2HB LEU 10 0.552 -5.972 -0.567 54 2HB LEU 10 1HB LEU 10 0.097 -6.632 0.993 55 HG LEU 10 HG LEU 10 -2.074 -7.346 0.015 56 1HD1 LEU 10 1HD1 LEU 10 -2.320 -5.786 -1.781 57 2HD1 LEU 10 2HD1 LEU 10 -2.225 -7.408 -2.469 58 3HD1 LEU 10 3HD1 LEU 10 -0.824 -6.338 -2.534 59 1HD2 LEU 10 1HD2 LEU 10 -1.219 -9.312 -0.783 60 2HD2 LEU 10 2HD2 LEU 10 0.208 -8.661 0.023 61 3HD2 LEU 10 3HD2 LEU 10 0.038 -8.513 -1.726 62 H GLU 11 H GLU 11 -0.849 -5.594 2.880 63 HA GLU 11 HA GLU 11 -3.495 -6.484 3.246 64 1HB GLU 11 2HB GLU 11 -1.648 -7.219 4.662 65 2HB GLU 11 1HB GLU 11 -1.433 -5.583 5.267 66 1HG GLU 11 2HG GLU 11 -3.913 -5.843 6.025 67 2HG GLU 11 1HG GLU 11 -3.568 -7.567 5.881 68 H HIS 12 H HIS 12 -1.891 -3.474 4.209 69 HA HIS 12 HA HIS 12 -4.477 -2.331 4.966 70 1HB HIS 12 2HB HIS 12 -1.716 -1.157 5.341 71 2HB HIS 12 1HB HIS 12 -3.211 -0.599 6.080 72 HD1 HIS 12 1HD HIS 12 -4.280 -2.224 7.901 73 HD2 HIS 12 2HD HIS 12 -0.424 -3.199 6.691 74 HE1 HIS 12 1HE HIS 12 -3.435 -3.858 9.605 75 HE2 HIS 12 2HE HIS 12 -1.269 -4.686 8.624 76 H SER 13 H SER 13 -4.418 -2.669 2.325 77 HA SER 13 HA SER 13 -3.272 -0.636 0.777 78 1HB SER 13 2HB SER 13 -5.714 -2.352 0.323 79 2HB SER 13 1HB SER 13 -5.107 -1.214 -0.880 80 HG SER 13 HG SER 13 -3.869 -3.543 0.147 81 H ASN 14 H ASN 14 -6.092 -0.658 2.797 82 HA ASN 14 HA ASN 14 -7.375 1.602 1.671 83 1HB ASN 14 2HB ASN 14 -8.698 1.670 3.727 84 2HB ASN 14 1HB ASN 14 -8.580 0.025 3.117 85 1HD2 ASN 14 1HD2 ASN 14 -8.641 1.724 5.832 86 2HD2 ASN 14 2HD2 ASN 14 -7.668 0.733 6.857 87 H LEU 15 H LEU 15 -4.829 1.212 4.077 88 HA LEU 15 HA LEU 15 -4.862 4.012 4.803 89 1HB LEU 15 2HB LEU 15 -2.979 1.743 5.425 90 2HB LEU 15 1HB LEU 15 -2.600 3.396 5.859 91 HG LEU 15 HG LEU 15 -4.930 3.302 7.071 92 1HD1 LEU 15 1HD1 LEU 15 -5.627 1.142 6.277 93 2HD1 LEU 15 2HD1 LEU 15 -5.350 1.063 8.017 94 3HD1 LEU 15 3HD1 LEU 15 -4.156 0.398 6.903 95 1HD2 LEU 15 1HD2 LEU 15 -3.775 2.488 9.102 96 2HD2 LEU 15 2HD2 LEU 15 -2.849 3.696 8.209 97 3HD2 LEU 15 3HD2 LEU 15 -2.417 1.989 8.092 98 H CYS 16 H CYS 16 -2.770 1.837 2.979 99 HA CYS 16 HA CYS 16 -1.251 4.073 1.919 100 1HB CYS 16 2HB CYS 16 -0.939 1.087 1.783 101 2HB CYS 16 1HB CYS 16 0.039 2.164 0.790 102 H GLY 17 H GLY 17 -3.813 4.224 1.142 103 1HA GLY 17 2HA GLY 17 -3.561 4.063 -1.745 104 2HA GLY 17 1HA GLY 17 -4.879 3.124 -1.046 105 H GLY 18 H GLY 18 -3.585 6.185 0.049 106 1HA GLY 18 2HA GLY 18 -5.516 7.881 -1.087 107 2HA GLY 18 1HA GLY 18 -6.061 7.384 0.512 108 H ALA 19 H ALA 19 -5.398 8.561 2.182 109 HA ALA 19 HA ALA 19 -2.819 9.911 2.081 110 1HB ALA 19 1HB ALA 19 -5.437 11.365 2.423 111 2HB ALA 19 2HB ALA 19 -4.223 11.612 1.168 112 3HB ALA 19 3HB ALA 19 -3.869 12.058 2.837 113 H ALA 20 H ALA 20 -3.257 7.761 3.588 114 HA ALA 20 HA ALA 20 -3.093 8.824 6.279 115 1HB ALA 20 1HB ALA 20 -5.534 7.785 5.390 116 2HB ALA 20 2HB ALA 20 -5.062 8.134 7.053 117 3HB ALA 20 3HB ALA 20 -4.818 6.519 6.389 118 H GLY 21 H GLY 21 -1.053 7.819 4.806 119 1HA GLY 21 2HA GLY 21 -0.134 5.679 6.439 120 2HA GLY 21 1HA GLY 21 -0.560 5.102 4.834 121 H GLY 22 H GLY 22 2.049 5.263 6.200 122 1HA GLY 22 2HA GLY 22 3.497 6.485 3.991 123 2HA GLY 22 1HA GLY 22 3.822 7.151 5.586 Start of MODEL 7 1 1H GLY 1 H GLY 1 4.397 5.949 4.930 2 1HA GLY 1 2HA GLY 1 6.557 5.266 5.403 3 2HA GLY 1 1HA GLY 1 6.160 5.300 7.112 4 H CYS 2 H CYS 2 4.142 3.531 7.282 5 HA CYS 2 HA CYS 2 5.416 1.025 7.363 6 1HB CYS 2 2HB CYS 2 3.458 1.763 8.746 7 2HB CYS 2 1HB CYS 2 2.444 1.607 7.324 8 H CYS 3 H CYS 3 3.381 2.579 5.023 9 HA CYS 3 HA CYS 3 2.704 0.429 3.398 10 1HB CYS 3 2HB CYS 3 3.174 3.301 2.603 11 2HB CYS 3 1HB CYS 3 2.303 2.099 1.650 12 H SER 4 H SER 4 5.782 1.901 3.818 13 HA SER 4 HA SER 4 6.907 1.341 1.284 14 1HB SER 4 2HB SER 4 8.262 1.493 3.992 15 2HB SER 4 1HB SER 4 9.078 1.561 2.430 16 HG SER 4 HG SER 4 8.587 3.594 2.316 17 H ASN 5 H ASN 5 5.986 -0.607 3.951 18 HA ASN 5 HA ASN 5 7.642 -2.876 3.156 19 1HB ASN 5 2HB ASN 5 5.527 -2.570 5.303 20 2HB ASN 5 1HB ASN 5 6.403 -4.061 4.994 21 1HD2 ASN 5 1HD2 ASN 5 8.542 -1.636 4.396 22 2HD2 ASN 5 2HD2 ASN 5 9.284 -1.528 5.953 23 HA PRO 6 HA PRO 6 4.766 -4.295 0.106 24 1HB PRO 6 2HB PRO 6 5.362 -7.011 0.434 25 2HB PRO 6 1HB PRO 6 6.165 -5.892 -0.669 26 1HG PRO 6 2HG PRO 6 7.004 -6.814 2.038 27 2HG PRO 6 1HG PRO 6 7.996 -6.452 0.615 28 1HD PRO 6 2HD PRO 6 7.851 -4.752 2.678 29 2HD PRO 6 1HD PRO 6 7.937 -4.161 1.004 30 H VAL 7 H VAL 7 4.928 -6.062 3.191 31 HA VAL 7 HA VAL 7 2.391 -7.288 2.972 32 HB VAL 7 HB VAL 7 3.715 -6.553 5.574 33 1HG1 VAL 7 1HG1 VAL 7 2.005 -8.919 4.819 34 2HG1 VAL 7 2HG1 VAL 7 1.437 -7.481 5.667 35 3HG1 VAL 7 3HG1 VAL 7 2.630 -8.537 6.425 36 1HG2 VAL 7 1HG2 VAL 7 5.244 -8.256 5.418 37 2HG2 VAL 7 2HG2 VAL 7 5.176 -7.748 3.732 38 3HG2 VAL 7 3HG2 VAL 7 4.276 -9.168 4.259 39 H CYS 8 H CYS 8 3.476 -4.413 4.733 40 HA CYS 8 HA CYS 8 0.980 -3.711 5.790 41 1HB CYS 8 2HB CYS 8 3.264 -2.838 6.478 42 2HB CYS 8 1HB CYS 8 3.160 -1.752 5.097 43 H HIS 9 H HIS 9 2.607 -2.651 2.808 44 HA HIS 9 HA HIS 9 0.677 -0.761 2.021 45 1HB HIS 9 2HB HIS 9 3.039 -1.271 1.045 46 2HB HIS 9 1HB HIS 9 2.178 -2.419 0.023 47 HD1 HIS 9 1HD HIS 9 -0.198 -0.952 -0.979 48 HD2 HIS 9 2HD HIS 9 3.453 0.958 -0.400 49 HE1 HIS 9 1HE HIS 9 -0.260 1.096 -2.445 50 HE2 HIS 9 2HE HIS 9 1.887 2.316 -1.951 51 H LEU 10 H LEU 10 0.976 -4.207 1.324 52 HA LEU 10 HA LEU 10 -1.266 -4.309 -0.422 53 1HB LEU 10 2HB LEU 10 0.571 -5.928 -0.511 54 2HB LEU 10 1HB LEU 10 0.128 -6.526 1.075 55 HG LEU 10 HG LEU 10 -2.057 -7.263 0.143 56 1HD1 LEU 10 1HD1 LEU 10 -2.622 -7.089 -2.074 57 2HD1 LEU 10 2HD1 LEU 10 -0.947 -6.915 -2.601 58 3HD1 LEU 10 3HD1 LEU 10 -1.772 -5.564 -1.823 59 1HD2 LEU 10 1HD2 LEU 10 0.246 -8.419 -1.407 60 2HD2 LEU 10 2HD2 LEU 10 -1.215 -9.236 -0.851 61 3HD2 LEU 10 3HD2 LEU 10 0.001 -8.714 0.315 62 H GLU 11 H GLU 11 -0.847 -5.464 2.935 63 HA GLU 11 HA GLU 11 -3.526 -6.279 3.243 64 1HB GLU 11 2HB GLU 11 -1.685 -7.079 4.660 65 2HB GLU 11 1HB GLU 11 -1.527 -5.476 5.362 66 1HG GLU 11 2HG GLU 11 -4.236 -6.396 5.586 67 2HG GLU 11 1HG GLU 11 -3.118 -7.583 6.261 68 H HIS 12 H HIS 12 -1.868 -3.308 4.274 69 HA HIS 12 HA HIS 12 -4.445 -2.126 4.996 70 1HB HIS 12 2HB HIS 12 -1.697 -0.872 5.171 71 2HB HIS 12 1HB HIS 12 -3.174 -0.269 5.898 72 HD1 HIS 12 1HD HIS 12 -4.063 -1.534 8.006 73 HD2 HIS 12 2HD HIS 12 -0.397 -2.889 6.606 74 HE1 HIS 12 1HE HIS 12 -3.127 -2.952 9.849 75 HE2 HIS 12 2HE HIS 12 -1.126 -4.045 8.795 76 H SER 13 H SER 13 -4.258 -2.729 2.336 77 HA SER 13 HA SER 13 -3.231 -0.808 0.625 78 1HB SER 13 2HB SER 13 -5.381 -1.611 -0.764 79 2HB SER 13 1HB SER 13 -3.963 -2.637 -0.539 80 HG SER 13 HG SER 13 -5.082 -3.921 0.708 81 H ASN 14 H ASN 14 -6.266 -0.869 2.379 82 HA ASN 14 HA ASN 14 -7.435 1.401 1.164 83 1HB ASN 14 2HB ASN 14 -7.931 0.099 3.848 84 2HB ASN 14 1HB ASN 14 -8.912 1.411 3.201 85 1HD2 ASN 14 1HD2 ASN 14 -8.796 -1.821 3.566 86 2HD2 ASN 14 2HD2 ASN 14 -9.784 -2.310 2.237 87 H LEU 15 H LEU 15 -5.179 1.003 3.819 88 HA LEU 15 HA LEU 15 -5.435 3.776 4.640 89 1HB LEU 15 2HB LEU 15 -3.572 1.565 5.521 90 2HB LEU 15 1HB LEU 15 -3.502 3.196 6.155 91 HG LEU 15 HG LEU 15 -4.650 1.888 7.756 92 1HD1 LEU 15 1HD1 LEU 15 -5.832 4.082 6.533 93 2HD1 LEU 15 2HD1 LEU 15 -6.183 3.434 8.135 94 3HD1 LEU 15 3HD1 LEU 15 -7.140 2.918 6.746 95 1HD2 LEU 15 1HD2 LEU 15 -6.954 0.870 6.796 96 2HD2 LEU 15 2HD2 LEU 15 -5.460 -0.051 6.960 97 3HD2 LEU 15 3HD2 LEU 15 -5.900 0.645 5.401 98 H CYS 16 H CYS 16 -3.380 1.760 2.728 99 HA CYS 16 HA CYS 16 -1.347 3.775 2.374 100 1HB CYS 16 2HB CYS 16 -1.695 0.981 1.300 101 2HB CYS 16 1HB CYS 16 -0.342 2.022 0.863 102 H GLY 17 H GLY 17 -3.702 4.782 1.520 103 1HA GLY 17 2HA GLY 17 -4.101 4.430 -1.304 104 2HA GLY 17 1HA GLY 17 -4.826 5.675 -0.298 105 H GLY 18 H GLY 18 -1.538 4.789 -1.300 106 1HA GLY 18 2HA GLY 18 -1.097 7.107 -2.856 107 2HA GLY 18 1HA GLY 18 -0.442 7.343 -1.239 108 H ALA 19 H ALA 19 1.697 7.415 -2.074 109 HA ALA 19 HA ALA 19 2.699 5.017 -3.373 110 1HB ALA 19 1HB ALA 19 4.699 6.260 -3.792 111 2HB ALA 19 2HB ALA 19 4.213 7.519 -2.658 112 3HB ALA 19 3HB ALA 19 3.326 7.301 -4.166 113 H ALA 20 H ALA 20 4.223 7.024 -0.934 114 HA ALA 20 HA ALA 20 5.346 4.716 0.366 115 1HB ALA 20 1HB ALA 20 6.327 6.494 1.916 116 2HB ALA 20 2HB ALA 20 5.632 7.666 0.796 117 3HB ALA 20 3HB ALA 20 6.839 6.515 0.228 118 H GLY 21 H GLY 21 2.623 6.636 0.706 119 1HA GLY 21 2HA GLY 21 0.890 6.701 2.209 120 2HA GLY 21 1HA GLY 21 1.396 5.082 2.665 121 H GLY 22 H GLY 22 1.376 5.063 4.819 122 1HA GLY 22 2HA GLY 22 2.415 7.371 6.289 123 2HA GLY 22 1HA GLY 22 1.497 6.034 6.970 Start of MODEL 8 1 1H GLY 1 H GLY 1 4.625 4.630 6.369 2 1HA GLY 1 2HA GLY 1 7.218 3.650 6.395 3 2HA GLY 1 1HA GLY 1 6.579 3.390 8.010 4 H CYS 2 H CYS 2 3.891 2.945 7.208 5 HA CYS 2 HA CYS 2 3.850 0.189 6.874 6 1HB CYS 2 2HB CYS 2 1.968 1.489 7.770 7 2HB CYS 2 1HB CYS 2 1.693 2.196 6.187 8 H CYS 3 H CYS 3 3.370 2.743 4.488 9 HA CYS 3 HA CYS 3 2.801 1.114 2.290 10 1HB CYS 3 2HB CYS 3 4.129 3.828 2.279 11 2HB CYS 3 1HB CYS 3 3.303 3.066 0.922 12 H SER 4 H SER 4 5.846 2.046 3.720 13 HA SER 4 HA SER 4 7.529 1.355 1.563 14 1HB SER 4 2HB SER 4 8.258 1.230 4.492 15 2HB SER 4 1HB SER 4 9.319 1.574 3.123 16 HG SER 4 HG SER 4 8.846 3.588 3.441 17 H ASN 5 H ASN 5 5.977 -0.481 4.085 18 HA ASN 5 HA ASN 5 7.521 -2.876 3.487 19 1HB ASN 5 2HB ASN 5 5.312 -2.304 5.468 20 2HB ASN 5 1HB ASN 5 5.966 -3.916 5.213 21 1HD2 ASN 5 1HD2 ASN 5 8.470 -1.851 4.720 22 2HD2 ASN 5 2HD2 ASN 5 9.138 -1.830 6.314 23 HA PRO 6 HA PRO 6 4.770 -4.026 0.182 24 1HB PRO 6 2HB PRO 6 5.803 -6.735 0.863 25 2HB PRO 6 1HB PRO 6 5.750 -5.908 -0.699 26 1HG PRO 6 2HG PRO 6 8.044 -6.147 0.630 27 2HG PRO 6 1HG PRO 6 7.652 -4.658 -0.252 28 1HD PRO 6 2HD PRO 6 7.564 -5.205 2.684 29 2HD PRO 6 1HD PRO 6 8.045 -3.727 1.825 30 H VAL 7 H VAL 7 4.949 -6.040 3.111 31 HA VAL 7 HA VAL 7 2.444 -7.303 2.774 32 HB VAL 7 HB VAL 7 3.658 -6.747 5.467 33 1HG1 VAL 7 1HG1 VAL 7 1.440 -7.860 5.280 34 2HG1 VAL 7 2HG1 VAL 7 2.665 -8.829 6.099 35 3HG1 VAL 7 3HG1 VAL 7 2.229 -9.188 4.430 36 1HG2 VAL 7 1HG2 VAL 7 4.483 -9.195 3.998 37 2HG2 VAL 7 2HG2 VAL 7 5.350 -8.257 5.213 38 3HG2 VAL 7 3HG2 VAL 7 5.259 -7.676 3.550 39 H CYS 8 H CYS 8 3.464 -4.603 4.824 40 HA CYS 8 HA CYS 8 0.958 -4.019 5.904 41 1HB CYS 8 2HB CYS 8 3.306 -3.165 6.587 42 2HB CYS 8 1HB CYS 8 3.023 -1.894 5.403 43 H HIS 9 H HIS 9 2.547 -2.762 2.982 44 HA HIS 9 HA HIS 9 0.578 -0.850 2.351 45 1HB HIS 9 2HB HIS 9 2.882 -1.051 1.311 46 2HB HIS 9 1HB HIS 9 2.233 -2.369 0.336 47 HD1 HIS 9 1HD HIS 9 -0.295 -1.394 -0.798 48 HD2 HIS 9 2HD HIS 9 2.908 1.187 -0.190 49 HE1 HIS 9 1HE HIS 9 -0.691 0.547 -2.344 50 HE2 HIS 9 2HE HIS 9 1.146 2.180 -1.804 51 H LEU 10 H LEU 10 0.955 -4.234 1.330 52 HA LEU 10 HA LEU 10 -1.333 -4.243 -0.349 53 1HB LEU 10 2HB LEU 10 0.506 -5.859 -0.561 54 2HB LEU 10 1HB LEU 10 0.078 -6.550 0.992 55 HG LEU 10 HG LEU 10 -2.120 -7.223 0.049 56 1HD1 LEU 10 1HD1 LEU 10 -2.281 -7.241 -2.458 57 2HD1 LEU 10 2HD1 LEU 10 -0.922 -6.117 -2.480 58 3HD1 LEU 10 3HD1 LEU 10 -2.437 -5.655 -1.704 59 1HD2 LEU 10 1HD2 LEU 10 0.419 -8.213 -1.216 60 2HD2 LEU 10 2HD2 LEU 10 -1.143 -8.975 -1.513 61 3HD2 LEU 10 3HD2 LEU 10 -0.489 -8.915 0.123 62 H GLU 11 H GLU 11 -0.806 -5.548 2.918 63 HA GLU 11 HA GLU 11 -3.422 -6.456 3.361 64 1HB GLU 11 2HB GLU 11 -1.503 -7.138 4.720 65 2HB GLU 11 1HB GLU 11 -1.337 -5.502 5.335 66 1HG GLU 11 2HG GLU 11 -3.560 -5.709 6.385 67 2HG GLU 11 1HG GLU 11 -3.629 -7.385 5.835 68 H HIS 12 H HIS 12 -1.896 -3.339 3.983 69 HA HIS 12 HA HIS 12 -4.511 -2.274 4.813 70 1HB HIS 12 2HB HIS 12 -1.794 -1.029 5.270 71 2HB HIS 12 1HB HIS 12 -3.325 -0.520 5.970 72 HD1 HIS 12 1HD HIS 12 -4.355 -2.085 7.815 73 HD2 HIS 12 2HD HIS 12 -0.522 -3.130 6.593 74 HE1 HIS 12 1HE HIS 12 -3.543 -3.751 9.503 75 HE2 HIS 12 2HE HIS 12 -1.394 -4.619 8.512 76 H SER 13 H SER 13 -4.270 -2.642 2.143 77 HA SER 13 HA SER 13 -3.141 -0.546 0.665 78 1HB SER 13 2HB SER 13 -5.519 -2.316 0.057 79 2HB SER 13 1HB SER 13 -4.808 -1.199 -1.108 80 HG SER 13 HG SER 13 -3.691 -3.527 0.039 81 H ASN 14 H ASN 14 -6.088 -0.788 2.466 82 HA ASN 14 HA ASN 14 -7.452 1.434 1.392 83 1HB ASN 14 2HB ASN 14 -8.536 1.389 3.791 84 2HB ASN 14 1HB ASN 14 -8.868 0.104 2.636 85 1HD2 ASN 14 1HD2 ASN 14 -8.993 -1.746 3.660 86 2HD2 ASN 14 2HD2 ASN 14 -7.938 -2.298 4.912 87 H LEU 15 H LEU 15 -5.111 1.103 4.022 88 HA LEU 15 HA LEU 15 -5.304 3.890 4.744 89 1HB LEU 15 2HB LEU 15 -3.282 1.789 5.541 90 2HB LEU 15 1HB LEU 15 -3.421 3.385 6.255 91 HG LEU 15 HG LEU 15 -5.524 1.220 6.393 92 1HD1 LEU 15 1HD1 LEU 15 -4.436 2.096 8.904 93 2HD1 LEU 15 2HD1 LEU 15 -3.155 1.503 7.847 94 3HD1 LEU 15 3HD1 LEU 15 -4.531 0.470 8.229 95 1HD2 LEU 15 1HD2 LEU 15 -5.796 3.994 6.651 96 2HD2 LEU 15 2HD2 LEU 15 -5.782 3.360 8.297 97 3HD2 LEU 15 3HD2 LEU 15 -6.955 2.752 7.128 98 H CYS 16 H CYS 16 -2.949 1.802 3.128 99 HA CYS 16 HA CYS 16 -1.293 4.069 2.429 100 1HB CYS 16 2HB CYS 16 -1.032 1.120 2.273 101 2HB CYS 16 1HB CYS 16 -0.121 2.070 1.104 102 H GLY 17 H GLY 17 -3.831 4.300 1.338 103 1HA GLY 17 2HA GLY 17 -3.962 3.386 -1.352 104 2HA GLY 17 1HA GLY 17 -4.906 4.701 -0.661 105 H GLY 18 H GLY 18 -2.978 6.455 0.115 106 1HA GLY 18 2HA GLY 18 -0.867 6.987 -1.577 107 2HA GLY 18 1HA GLY 18 -2.277 7.692 -2.352 108 H ALA 19 H ALA 19 -1.708 7.493 1.133 109 HA ALA 19 HA ALA 19 -0.762 10.169 1.391 110 1HB ALA 19 1HB ALA 19 -2.658 11.323 1.445 111 2HB ALA 19 2HB ALA 19 -3.212 10.343 2.804 112 3HB ALA 19 3HB ALA 19 -3.580 9.848 1.151 113 H ALA 20 H ALA 20 0.213 7.803 2.385 114 HA ALA 20 HA ALA 20 0.249 8.356 5.206 115 1HB ALA 20 1HB ALA 20 -0.362 5.956 5.798 116 2HB ALA 20 2HB ALA 20 -1.051 5.846 4.179 117 3HB ALA 20 3HB ALA 20 -1.687 7.021 5.329 118 H GLY 21 H GLY 21 2.227 8.469 3.272 119 1HA GLY 21 2HA GLY 21 3.801 6.072 3.225 120 2HA GLY 21 1HA GLY 21 4.301 7.659 2.666 121 H GLY 22 H GLY 22 3.257 6.573 5.885 122 1HA GLY 22 2HA GLY 22 5.488 7.943 7.106 123 2HA GLY 22 1HA GLY 22 4.224 7.050 7.940 Start of MODEL 9 1 1H GLY 1 H GLY 1 6.251 5.019 5.874 2 1HA GLY 1 2HA GLY 1 7.545 3.231 6.611 3 2HA GLY 1 1HA GLY 1 6.664 3.241 8.126 4 H CYS 2 H CYS 2 4.098 2.885 7.325 5 HA CYS 2 HA CYS 2 3.918 0.124 6.956 6 1HB CYS 2 2HB CYS 2 2.115 1.449 7.951 7 2HB CYS 2 1HB CYS 2 1.824 2.238 6.409 8 H CYS 3 H CYS 3 3.391 2.742 4.644 9 HA CYS 3 HA CYS 3 2.747 1.144 2.436 10 1HB CYS 3 2HB CYS 3 4.061 3.862 2.393 11 2HB CYS 3 1HB CYS 3 3.132 3.120 1.095 12 H SER 4 H SER 4 5.823 2.022 3.810 13 HA SER 4 HA SER 4 7.446 1.424 1.574 14 1HB SER 4 2HB SER 4 8.237 1.242 4.487 15 2HB SER 4 1HB SER 4 9.286 1.567 3.106 16 HG SER 4 HG SER 4 8.718 3.594 3.155 17 H ASN 5 H ASN 5 5.994 -0.484 4.094 18 HA ASN 5 HA ASN 5 7.518 -2.861 3.406 19 1HB ASN 5 2HB ASN 5 5.392 -2.270 5.462 20 2HB ASN 5 1HB ASN 5 5.944 -3.911 5.143 21 1HD2 ASN 5 1HD2 ASN 5 6.442 -1.174 6.965 22 2HD2 ASN 5 2HD2 ASN 5 8.018 -1.540 7.565 23 HA PRO 6 HA PRO 6 4.710 -3.993 0.156 24 1HB PRO 6 2HB PRO 6 5.355 -6.704 0.246 25 2HB PRO 6 1HB PRO 6 6.186 -5.477 -0.713 26 1HG PRO 6 2HG PRO 6 6.925 -6.636 1.935 27 2HG PRO 6 1HG PRO 6 7.969 -6.163 0.582 28 1HD PRO 6 2HD PRO 6 7.742 -4.634 2.770 29 2HD PRO 6 1HD PRO 6 7.898 -3.913 1.153 30 H VAL 7 H VAL 7 4.909 -6.006 3.082 31 HA VAL 7 HA VAL 7 2.398 -7.263 2.764 32 HB VAL 7 HB VAL 7 3.679 -6.710 5.432 33 1HG1 VAL 7 1HG1 VAL 7 2.661 -9.344 5.158 34 2HG1 VAL 7 2HG1 VAL 7 1.437 -8.217 4.568 35 3HG1 VAL 7 3HG1 VAL 7 2.086 -8.042 6.199 36 1HG2 VAL 7 1HG2 VAL 7 5.203 -8.460 5.181 37 2HG2 VAL 7 2HG2 VAL 7 5.290 -7.619 3.633 38 3HG2 VAL 7 3HG2 VAL 7 4.366 -9.116 3.774 39 H CYS 8 H CYS 8 3.434 -4.556 4.797 40 HA CYS 8 HA CYS 8 0.925 -3.958 5.880 41 1HB CYS 8 2HB CYS 8 3.316 -3.128 6.525 42 2HB CYS 8 1HB CYS 8 2.979 -1.825 5.391 43 H HIS 9 H HIS 9 2.549 -2.749 2.972 44 HA HIS 9 HA HIS 9 0.633 -0.799 2.278 45 1HB HIS 9 2HB HIS 9 2.963 -1.073 1.309 46 2HB HIS 9 1HB HIS 9 2.311 -2.394 0.341 47 HD1 HIS 9 1HD HIS 9 -0.120 -1.390 -0.935 48 HD2 HIS 9 2HD HIS 9 3.096 1.143 -0.213 49 HE1 HIS 9 1HE HIS 9 -0.392 0.520 -2.545 50 HE2 HIS 9 2HE HIS 9 1.445 2.137 -1.943 51 H LEU 10 H LEU 10 0.957 -4.210 1.359 52 HA LEU 10 HA LEU 10 -1.286 -4.205 -0.393 53 1HB LEU 10 2HB LEU 10 0.550 -5.828 -0.560 54 2HB LEU 10 1HB LEU 10 0.082 -6.516 0.984 55 HG LEU 10 HG LEU 10 -2.096 -7.181 -0.009 56 1HD1 LEU 10 1HD1 LEU 10 -0.941 -5.759 -2.336 57 2HD1 LEU 10 2HD1 LEU 10 -2.615 -5.891 -1.801 58 3HD1 LEU 10 3HD1 LEU 10 -1.855 -7.233 -2.657 59 1HD2 LEU 10 1HD2 LEU 10 -0.474 -8.557 -1.898 60 2HD2 LEU 10 2HD2 LEU 10 -1.092 -9.128 -0.349 61 3HD2 LEU 10 3HD2 LEU 10 0.467 -8.307 -0.428 62 H GLU 11 H GLU 11 -0.846 -5.518 2.892 63 HA GLU 11 HA GLU 11 -3.487 -6.398 3.257 64 1HB GLU 11 2HB GLU 11 -1.660 -7.139 4.682 65 2HB GLU 11 1HB GLU 11 -1.420 -5.503 5.273 66 1HG GLU 11 2HG GLU 11 -3.909 -5.736 6.036 67 2HG GLU 11 1HG GLU 11 -3.563 -7.461 5.923 68 H HIS 12 H HIS 12 -1.901 -3.399 4.294 69 HA HIS 12 HA HIS 12 -4.505 -2.266 4.994 70 1HB HIS 12 2HB HIS 12 -1.781 -1.011 5.370 71 2HB HIS 12 1HB HIS 12 -3.291 -0.522 6.122 72 HD1 HIS 12 1HD HIS 12 -4.237 -2.116 8.007 73 HD2 HIS 12 2HD HIS 12 -0.422 -3.072 6.664 74 HE1 HIS 12 1HE HIS 12 -3.321 -3.738 9.684 75 HE2 HIS 12 2HE HIS 12 -1.186 -4.554 8.633 76 H SER 13 H SER 13 -4.299 -2.704 2.355 77 HA SER 13 HA SER 13 -3.178 -0.723 0.754 78 1HB SER 13 2HB SER 13 -5.319 -1.452 -0.709 79 2HB SER 13 1HB SER 13 -3.890 -2.470 -0.532 80 HG SER 13 HG SER 13 -5.010 -3.844 0.605 81 H ASN 14 H ASN 14 -6.191 -0.800 2.519 82 HA ASN 14 HA ASN 14 -7.435 1.439 1.353 83 1HB ASN 14 2HB ASN 14 -8.616 -0.193 2.788 84 2HB ASN 14 1HB ASN 14 -7.710 0.388 4.182 85 1HD2 ASN 14 1HD2 ASN 14 -8.761 1.774 5.403 86 2HD2 ASN 14 2HD2 ASN 14 -9.999 2.858 4.885 87 H LEU 15 H LEU 15 -5.041 1.118 3.914 88 HA LEU 15 HA LEU 15 -5.198 3.929 4.601 89 1HB LEU 15 2HB LEU 15 -3.376 1.710 5.527 90 2HB LEU 15 1HB LEU 15 -3.220 3.367 6.071 91 HG LEU 15 HG LEU 15 -4.368 2.236 7.784 92 1HD1 LEU 15 1HD1 LEU 15 -5.316 4.418 7.204 93 2HD1 LEU 15 2HD1 LEU 15 -6.525 3.324 7.876 94 3HD1 LEU 15 3HD1 LEU 15 -6.475 3.622 6.140 95 1HD2 LEU 15 1HD2 LEU 15 -6.743 1.231 6.718 96 2HD2 LEU 15 2HD2 LEU 15 -5.376 0.310 7.345 97 3HD2 LEU 15 3HD2 LEU 15 -5.471 0.685 5.624 98 H CYS 16 H CYS 16 -2.972 1.737 2.974 99 HA CYS 16 HA CYS 16 -1.295 3.993 2.194 100 1HB CYS 16 2HB CYS 16 -0.895 1.030 2.254 101 2HB CYS 16 1HB CYS 16 0.104 2.022 1.196 102 H GLY 17 H GLY 17 -3.635 4.225 0.987 103 1HA GLY 17 2HA GLY 17 -3.785 2.898 -1.552 104 2HA GLY 17 1HA GLY 17 -4.745 4.277 -1.039 105 H GLY 18 H GLY 18 -1.252 3.825 -1.434 106 1HA GLY 18 2HA GLY 18 -0.812 5.102 -3.816 107 2HA GLY 18 1HA GLY 18 -0.923 6.399 -2.632 108 H ALA 19 H ALA 19 1.115 7.074 -2.367 109 HA ALA 19 HA ALA 19 3.020 5.209 -1.206 110 1HB ALA 19 1HB ALA 19 3.178 5.941 -3.937 111 2HB ALA 19 2HB ALA 19 4.334 5.007 -2.987 112 3HB ALA 19 3HB ALA 19 4.491 6.760 -3.091 113 H ALA 20 H ALA 20 1.662 7.168 0.095 114 HA ALA 20 HA ALA 20 3.820 8.978 0.850 115 1HB ALA 20 1HB ALA 20 1.626 10.642 1.010 116 2HB ALA 20 2HB ALA 20 1.387 9.807 -0.524 117 3HB ALA 20 3HB ALA 20 2.879 10.700 -0.229 118 H GLY 21 H GLY 21 3.111 6.786 2.218 119 1HA GLY 21 2HA GLY 21 1.231 7.578 4.311 120 2HA GLY 21 1HA GLY 21 1.897 5.970 4.076 121 H GLY 22 H GLY 22 3.073 5.418 5.777 122 1HA GLY 22 2HA GLY 22 5.302 7.038 6.587 123 2HA GLY 22 1HA GLY 22 4.027 6.954 7.794 Start of MODEL 10 1 1H GLY 1 H GLY 1 4.663 5.990 4.685 2 1HA GLY 1 2HA GLY 1 6.721 5.203 5.366 3 2HA GLY 1 1HA GLY 1 6.182 5.328 7.026 4 H CYS 2 H CYS 2 4.147 3.620 7.207 5 HA CYS 2 HA CYS 2 5.395 1.093 7.371 6 1HB CYS 2 2HB CYS 2 3.430 1.838 8.734 7 2HB CYS 2 1HB CYS 2 2.424 1.670 7.306 8 H CYS 3 H CYS 3 3.378 2.583 5.003 9 HA CYS 3 HA CYS 3 2.748 0.377 3.426 10 1HB CYS 3 2HB CYS 3 3.040 3.274 2.663 11 2HB CYS 3 1HB CYS 3 2.232 2.038 1.693 12 H SER 4 H SER 4 5.787 1.821 3.875 13 HA SER 4 HA SER 4 6.888 1.380 1.292 14 1HB SER 4 2HB SER 4 8.281 1.452 3.987 15 2HB SER 4 1HB SER 4 9.067 1.594 2.414 16 HG SER 4 HG SER 4 8.647 3.638 2.516 17 H ASN 5 H ASN 5 6.030 -0.590 3.957 18 HA ASN 5 HA ASN 5 7.635 -2.872 3.112 19 1HB ASN 5 2HB ASN 5 5.533 -2.581 5.276 20 2HB ASN 5 1HB ASN 5 6.470 -4.043 4.980 21 1HD2 ASN 5 1HD2 ASN 5 6.271 -1.326 6.818 22 2HD2 ASN 5 2HD2 ASN 5 7.908 -1.232 7.360 23 HA PRO 6 HA PRO 6 4.671 -4.217 0.090 24 1HB PRO 6 2HB PRO 6 5.696 -6.896 0.905 25 2HB PRO 6 1HB PRO 6 5.533 -6.195 -0.711 26 1HG PRO 6 2HG PRO 6 7.918 -6.360 0.453 27 2HG PRO 6 1HG PRO 6 7.471 -4.934 -0.501 28 1HD PRO 6 2HD PRO 6 7.626 -5.262 2.461 29 2HD PRO 6 1HD PRO 6 8.013 -3.848 1.458 30 H VAL 7 H VAL 7 4.924 -6.040 3.140 31 HA VAL 7 HA VAL 7 2.404 -7.287 2.982 32 HB VAL 7 HB VAL 7 3.738 -6.509 5.566 33 1HG1 VAL 7 1HG1 VAL 7 1.469 -7.513 5.625 34 2HG1 VAL 7 2HG1 VAL 7 2.694 -8.475 6.453 35 3HG1 VAL 7 3HG1 VAL 7 2.129 -8.955 4.853 36 1HG2 VAL 7 1HG2 VAL 7 5.508 -7.785 5.135 37 2HG2 VAL 7 2HG2 VAL 7 4.919 -8.019 3.489 38 3HG2 VAL 7 3HG2 VAL 7 4.462 -9.155 4.760 39 H CYS 8 H CYS 8 3.471 -4.424 4.764 40 HA CYS 8 HA CYS 8 0.976 -3.725 5.816 41 1HB CYS 8 2HB CYS 8 3.235 -2.842 6.530 42 2HB CYS 8 1HB CYS 8 3.182 -1.784 5.125 43 H HIS 9 H HIS 9 2.574 -2.738 2.810 44 HA HIS 9 HA HIS 9 0.664 -0.825 2.024 45 1HB HIS 9 2HB HIS 9 2.999 -1.289 1.034 46 2HB HIS 9 1HB HIS 9 2.187 -2.518 0.064 47 HD1 HIS 9 1HD HIS 9 -0.279 -1.184 -0.934 48 HD2 HIS 9 2HD HIS 9 3.315 0.873 -0.552 49 HE1 HIS 9 1HE HIS 9 -0.458 0.783 -2.491 50 HE2 HIS 9 2HE HIS 9 1.663 2.093 -2.127 51 H LEU 10 H LEU 10 0.910 -4.287 1.261 52 HA LEU 10 HA LEU 10 -1.408 -4.268 -0.408 53 1HB LEU 10 2HB LEU 10 0.423 -6.342 0.667 54 2HB LEU 10 1HB LEU 10 -1.164 -6.868 0.141 55 HG LEU 10 HG LEU 10 -0.731 -5.938 -2.098 56 1HD1 LEU 10 1HD1 LEU 10 1.373 -5.062 -2.747 57 2HD1 LEU 10 2HD1 LEU 10 2.093 -5.454 -1.185 58 3HD1 LEU 10 3HD1 LEU 10 0.878 -4.182 -1.301 59 1HD2 LEU 10 1HD2 LEU 10 1.261 -7.902 -0.994 60 2HD2 LEU 10 2HD2 LEU 10 1.104 -7.548 -2.715 61 3HD2 LEU 10 3HD2 LEU 10 -0.256 -8.239 -1.829 62 H GLU 11 H GLU 11 -0.817 -5.479 2.888 63 HA GLU 11 HA GLU 11 -3.422 -6.404 3.382 64 1HB GLU 11 2HB GLU 11 -1.526 -7.037 4.773 65 2HB GLU 11 1HB GLU 11 -1.319 -5.372 5.294 66 1HG GLU 11 2HG GLU 11 -3.770 -5.642 6.148 67 2HG GLU 11 1HG GLU 11 -3.388 -7.362 6.078 68 H HIS 12 H HIS 12 -1.883 -3.322 4.259 69 HA HIS 12 HA HIS 12 -4.512 -2.229 4.961 70 1HB HIS 12 2HB HIS 12 -1.823 -0.885 5.279 71 2HB HIS 12 1HB HIS 12 -3.339 -0.440 6.046 72 HD1 HIS 12 1HD HIS 12 -4.204 -2.059 7.960 73 HD2 HIS 12 2HD HIS 12 -0.345 -2.817 6.621 74 HE1 HIS 12 1HE HIS 12 -3.185 -3.575 9.677 75 HE2 HIS 12 2HE HIS 12 -1.009 -4.290 8.636 76 H SER 13 H SER 13 -4.187 -2.744 2.294 77 HA SER 13 HA SER 13 -3.133 -0.768 0.673 78 1HB SER 13 2HB SER 13 -5.194 -1.543 -0.830 79 2HB SER 13 1HB SER 13 -3.811 -2.598 -0.533 80 HG SER 13 HG SER 13 -5.050 -3.893 0.564 81 H ASN 14 H ASN 14 -6.242 -0.879 2.300 82 HA ASN 14 HA ASN 14 -7.400 1.378 1.074 83 1HB ASN 14 2HB ASN 14 -7.916 0.093 3.760 84 2HB ASN 14 1HB ASN 14 -8.892 1.403 3.104 85 1HD2 ASN 14 1HD2 ASN 14 -8.787 -1.825 3.482 86 2HD2 ASN 14 2HD2 ASN 14 -9.765 -2.317 2.150 87 H LEU 15 H LEU 15 -5.210 1.040 3.800 88 HA LEU 15 HA LEU 15 -5.486 3.840 4.528 89 1HB LEU 15 2HB LEU 15 -3.606 1.722 5.577 90 2HB LEU 15 1HB LEU 15 -3.827 3.321 6.261 91 HG LEU 15 HG LEU 15 -5.948 1.175 6.138 92 1HD1 LEU 15 1HD1 LEU 15 -4.143 0.623 7.691 93 2HD1 LEU 15 2HD1 LEU 15 -5.635 1.013 8.547 94 3HD1 LEU 15 3HD1 LEU 15 -4.329 2.196 8.468 95 1HD2 LEU 15 1HD2 LEU 15 -6.450 3.257 8.027 96 2HD2 LEU 15 2HD2 LEU 15 -7.426 2.750 6.648 97 3HD2 LEU 15 3HD2 LEU 15 -6.171 3.971 6.438 98 H CYS 16 H CYS 16 -3.390 1.768 2.737 99 HA CYS 16 HA CYS 16 -1.214 3.620 2.565 100 1HB CYS 16 2HB CYS 16 -1.804 0.956 1.310 101 2HB CYS 16 1HB CYS 16 -0.391 1.906 0.852 102 H GLY 17 H GLY 17 -3.528 4.849 1.708 103 1HA GLY 17 2HA GLY 17 -3.415 4.908 -1.211 104 2HA GLY 17 1HA GLY 17 -4.560 5.778 -0.194 105 H GLY 18 H GLY 18 -4.186 7.750 -1.240 106 1HA GLY 18 2HA GLY 18 -3.190 9.797 -1.513 107 2HA GLY 18 1HA GLY 18 -2.223 9.392 -0.101 108 H ALA 19 H ALA 19 -0.178 9.825 -0.588 109 HA ALA 19 HA ALA 19 0.848 9.486 -3.256 110 1HB ALA 19 1HB ALA 19 2.693 10.682 -2.581 111 2HB ALA 19 2HB ALA 19 2.600 10.089 -0.922 112 3HB ALA 19 3HB ALA 19 1.458 11.306 -1.489 113 H ALA 20 H ALA 20 1.470 8.065 -0.084 114 HA ALA 20 HA ALA 20 1.988 5.485 -1.164 115 1HB ALA 20 1HB ALA 20 4.150 5.771 -1.679 116 2HB ALA 20 2HB ALA 20 4.432 5.755 0.061 117 3HB ALA 20 3HB ALA 20 4.253 7.290 -0.790 118 H GLY 21 H GLY 21 0.240 6.457 0.771 119 1HA GLY 21 2HA GLY 21 -0.554 5.843 2.835 120 2HA GLY 21 1HA GLY 21 0.741 4.659 2.898 121 H GLY 22 H GLY 22 1.751 4.889 4.794 122 1HA GLY 22 2HA GLY 22 2.832 7.525 5.450 123 2HA GLY 22 1HA GLY 22 1.783 6.769 6.635 Start of MODEL 11 1 1H GLY 1 H GLY 1 5.572 5.844 5.485 2 1HA GLY 1 2HA GLY 1 7.494 4.595 5.856 3 2HA GLY 1 1HA GLY 1 7.105 4.549 7.564 4 H CYS 2 H CYS 2 4.669 3.341 7.571 5 HA CYS 2 HA CYS 2 5.306 0.622 7.399 6 1HB CYS 2 2HB CYS 2 3.457 1.762 8.760 7 2HB CYS 2 1HB CYS 2 2.492 1.706 7.291 8 H CYS 3 H CYS 3 3.606 2.743 5.170 9 HA CYS 3 HA CYS 3 2.663 0.867 3.345 10 1HB CYS 3 2HB CYS 3 3.557 3.707 2.848 11 2HB CYS 3 1HB CYS 3 2.577 2.741 1.748 12 H SER 4 H SER 4 5.900 1.975 3.855 13 HA SER 4 HA SER 4 6.935 1.395 1.280 14 1HB SER 4 2HB SER 4 8.407 1.403 3.927 15 2HB SER 4 1HB SER 4 9.116 1.594 2.322 16 HG SER 4 HG SER 4 8.693 3.636 2.471 17 H ASN 5 H ASN 5 5.947 -0.549 3.912 18 HA ASN 5 HA ASN 5 7.547 -2.848 3.116 19 1HB ASN 5 2HB ASN 5 5.456 -2.473 5.271 20 2HB ASN 5 1HB ASN 5 6.253 -4.006 4.948 21 1HD2 ASN 5 1HD2 ASN 5 8.510 -1.719 4.319 22 2HD2 ASN 5 2HD2 ASN 5 9.273 -1.634 5.866 23 HA PRO 6 HA PRO 6 4.622 -4.182 0.059 24 1HB PRO 6 2HB PRO 6 5.659 -6.866 0.828 25 2HB PRO 6 1HB PRO 6 5.529 -6.125 -0.770 26 1HG PRO 6 2HG PRO 6 7.888 -6.316 0.445 27 2HG PRO 6 1HG PRO 6 7.461 -4.869 -0.488 28 1HD PRO 6 2HD PRO 6 7.531 -5.264 2.471 29 2HD PRO 6 1HD PRO 6 7.967 -3.835 1.511 30 H VAL 7 H VAL 7 4.892 -5.999 3.104 31 HA VAL 7 HA VAL 7 2.384 -7.284 2.932 32 HB VAL 7 HB VAL 7 3.728 -6.532 5.520 33 1HG1 VAL 7 1HG1 VAL 7 1.706 -8.528 4.657 34 2HG1 VAL 7 2HG1 VAL 7 1.788 -7.557 6.126 35 3HG1 VAL 7 3HG1 VAL 7 2.818 -8.978 5.951 36 1HG2 VAL 7 1HG2 VAL 7 5.524 -7.738 5.009 37 2HG2 VAL 7 2HG2 VAL 7 4.870 -8.057 3.402 38 3HG2 VAL 7 3HG2 VAL 7 4.498 -9.147 4.737 39 H CYS 8 H CYS 8 3.438 -4.439 4.766 40 HA CYS 8 HA CYS 8 0.936 -3.787 5.829 41 1HB CYS 8 2HB CYS 8 3.079 -2.870 6.661 42 2HB CYS 8 1HB CYS 8 3.211 -1.898 5.198 43 H HIS 9 H HIS 9 2.519 -2.724 2.838 44 HA HIS 9 HA HIS 9 0.560 -0.839 2.096 45 1HB HIS 9 2HB HIS 9 2.885 -1.170 1.083 46 2HB HIS 9 1HB HIS 9 2.161 -2.474 0.141 47 HD1 HIS 9 1HD HIS 9 -0.299 -1.429 -1.023 48 HD2 HIS 9 2HD HIS 9 2.971 1.067 -0.415 49 HE1 HIS 9 1HE HIS 9 -0.634 0.514 -2.584 50 HE2 HIS 9 2HE HIS 9 1.263 2.089 -2.068 51 H LEU 10 H LEU 10 0.904 -4.282 1.317 52 HA LEU 10 HA LEU 10 -1.376 -4.374 -0.381 53 1HB LEU 10 2HB LEU 10 0.459 -6.002 -0.502 54 2HB LEU 10 1HB LEU 10 0.027 -6.608 1.085 55 HG LEU 10 HG LEU 10 -2.169 -7.327 0.175 56 1HD1 LEU 10 1HD1 LEU 10 -2.630 -5.992 -1.654 57 2HD1 LEU 10 2HD1 LEU 10 -2.150 -7.513 -2.409 58 3HD1 LEU 10 3HD1 LEU 10 -1.009 -6.171 -2.325 59 1HD2 LEU 10 1HD2 LEU 10 -0.609 -9.048 0.323 60 2HD2 LEU 10 2HD2 LEU 10 0.392 -8.380 -0.966 61 3HD2 LEU 10 3HD2 LEU 10 -1.157 -9.130 -1.352 62 H GLU 11 H GLU 11 -0.862 -5.541 2.948 63 HA GLU 11 HA GLU 11 -3.489 -6.395 3.424 64 1HB GLU 11 2HB GLU 11 -1.630 -7.057 4.843 65 2HB GLU 11 1HB GLU 11 -1.376 -5.391 5.338 66 1HG GLU 11 2HG GLU 11 -3.845 -5.580 6.174 67 2HG GLU 11 1HG GLU 11 -3.500 -7.310 6.149 68 H HIS 12 H HIS 12 -1.894 -3.340 4.270 69 HA HIS 12 HA HIS 12 -4.494 -2.180 4.953 70 1HB HIS 12 2HB HIS 12 -1.772 -0.899 5.245 71 2HB HIS 12 1HB HIS 12 -3.275 -0.389 5.994 72 HD1 HIS 12 1HD HIS 12 -4.189 -1.927 7.953 73 HD2 HIS 12 2HD HIS 12 -0.360 -2.848 6.631 74 HE1 HIS 12 1HE HIS 12 -3.220 -3.434 9.705 75 HE2 HIS 12 2HE HIS 12 -1.069 -4.247 8.682 76 H SER 13 H SER 13 -4.189 -2.742 2.276 77 HA SER 13 HA SER 13 -3.099 -0.730 0.683 78 1HB SER 13 2HB SER 13 -3.945 -2.968 -0.111 79 2HB SER 13 1HB SER 13 -5.583 -2.329 0.024 80 HG SER 13 HG SER 13 -5.005 -0.727 -1.499 81 H ASN 14 H ASN 14 -6.158 -0.913 2.360 82 HA ASN 14 HA ASN 14 -7.421 1.281 1.108 83 1HB ASN 14 2HB ASN 14 -7.836 0.067 3.849 84 2HB ASN 14 1HB ASN 14 -8.875 1.306 3.152 85 1HD2 ASN 14 1HD2 ASN 14 -8.763 -1.845 3.748 86 2HD2 ASN 14 2HD2 ASN 14 -9.696 -2.454 2.429 87 H LEU 15 H LEU 15 -5.158 1.018 3.781 88 HA LEU 15 HA LEU 15 -5.464 3.787 4.539 89 1HB LEU 15 2HB LEU 15 -3.520 1.640 5.387 90 2HB LEU 15 1HB LEU 15 -3.434 3.286 5.978 91 HG LEU 15 HG LEU 15 -5.811 2.955 6.839 92 1HD1 LEU 15 1HD1 LEU 15 -5.411 0.412 5.564 93 2HD1 LEU 15 2HD1 LEU 15 -6.871 1.087 6.290 94 3HD1 LEU 15 3HD1 LEU 15 -5.720 0.197 7.288 95 1HD2 LEU 15 1HD2 LEU 15 -4.439 1.058 8.460 96 2HD2 LEU 15 2HD2 LEU 15 -4.752 2.765 8.772 97 3HD2 LEU 15 3HD2 LEU 15 -3.290 2.279 7.913 98 H CYS 16 H CYS 16 -3.041 1.784 2.936 99 HA CYS 16 HA CYS 16 -1.410 4.081 2.269 100 1HB CYS 16 2HB CYS 16 -1.146 1.148 1.588 101 2HB CYS 16 1HB CYS 16 0.040 2.380 1.170 102 H GLY 17 H GLY 17 -4.045 4.135 1.187 103 1HA GLY 17 2HA GLY 17 -3.719 3.505 -1.650 104 2HA GLY 17 1HA GLY 17 -5.202 4.027 -0.864 105 H GLY 18 H GLY 18 -1.983 5.511 -0.775 106 1HA GLY 18 2HA GLY 18 -2.302 7.469 -2.684 107 2HA GLY 18 1HA GLY 18 -3.072 8.104 -1.237 108 H ALA 19 H ALA 19 -1.687 9.671 -0.660 109 HA ALA 19 HA ALA 19 1.173 9.116 -0.523 110 1HB ALA 19 1HB ALA 19 1.122 11.208 -1.352 111 2HB ALA 19 2HB ALA 19 0.920 11.678 0.334 112 3HB ALA 19 3HB ALA 19 -0.490 11.530 -0.714 113 H ALA 20 H ALA 20 -0.730 7.872 1.276 114 HA ALA 20 HA ALA 20 -0.205 9.097 3.866 115 1HB ALA 20 1HB ALA 20 -1.545 6.510 3.898 116 2HB ALA 20 2HB ALA 20 -2.361 7.696 2.878 117 3HB ALA 20 3HB ALA 20 -2.054 8.055 4.578 118 H GLY 21 H GLY 21 1.925 8.057 2.272 119 1HA GLY 21 2HA GLY 21 2.800 5.514 3.186 120 2HA GLY 21 1HA GLY 21 3.791 6.720 2.382 121 H GLY 22 H GLY 22 2.288 6.054 5.528 122 1HA GLY 22 2HA GLY 22 4.178 7.684 6.957 123 2HA GLY 22 1HA GLY 22 2.929 6.669 7.661 Start of MODEL 12 1 1H GLY 1 H GLY 1 6.392 5.047 6.071 2 1HA GLY 1 2HA GLY 1 7.486 3.121 6.689 3 2HA GLY 1 1HA GLY 1 6.536 3.104 8.161 4 H CYS 2 H CYS 2 3.996 2.884 7.177 5 HA CYS 2 HA CYS 2 3.734 0.138 6.754 6 1HB CYS 2 2HB CYS 2 1.973 1.632 7.684 7 2HB CYS 2 1HB CYS 2 1.711 2.279 6.071 8 H CYS 3 H CYS 3 3.391 2.807 4.424 9 HA CYS 3 HA CYS 3 2.792 1.184 2.209 10 1HB CYS 3 2HB CYS 3 4.109 3.903 2.221 11 2HB CYS 3 1HB CYS 3 3.322 3.139 0.843 12 H SER 4 H SER 4 5.818 2.039 3.687 13 HA SER 4 HA SER 4 7.509 1.345 1.517 14 1HB SER 4 2HB SER 4 8.193 1.313 4.463 15 2HB SER 4 1HB SER 4 9.302 1.530 3.107 16 HG SER 4 HG SER 4 8.539 3.541 2.777 17 H ASN 5 H ASN 5 5.961 -0.436 4.073 18 HA ASN 5 HA ASN 5 7.499 -2.847 3.562 19 1HB ASN 5 2HB ASN 5 5.324 -2.124 5.513 20 2HB ASN 5 1HB ASN 5 5.823 -3.794 5.281 21 1HD2 ASN 5 1HD2 ASN 5 6.410 -0.954 6.948 22 2HD2 ASN 5 2HD2 ASN 5 7.941 -1.375 7.628 23 HA PRO 6 HA PRO 6 4.794 -4.178 0.295 24 1HB PRO 6 2HB PRO 6 5.798 -6.852 1.122 25 2HB PRO 6 1HB PRO 6 5.792 -6.094 -0.474 26 1HG PRO 6 2HG PRO 6 8.048 -6.298 0.930 27 2HG PRO 6 1HG PRO 6 7.700 -4.852 -0.037 28 1HD PRO 6 2HD PRO 6 7.522 -5.247 2.920 29 2HD PRO 6 1HD PRO 6 8.050 -3.822 2.000 30 H VAL 7 H VAL 7 4.941 -6.082 3.304 31 HA VAL 7 HA VAL 7 2.440 -7.349 3.016 32 HB VAL 7 HB VAL 7 3.576 -6.636 5.702 33 1HG1 VAL 7 1HG1 VAL 7 2.473 -9.299 4.950 34 2HG1 VAL 7 2HG1 VAL 7 1.368 -7.946 5.193 35 3HG1 VAL 7 3HG1 VAL 7 2.438 -8.454 6.499 36 1HG2 VAL 7 1HG2 VAL 7 5.147 -8.426 5.615 37 2HG2 VAL 7 2HG2 VAL 7 5.416 -7.438 4.181 38 3HG2 VAL 7 3HG2 VAL 7 4.546 -8.965 4.048 39 H CYS 8 H CYS 8 3.429 -4.497 4.852 40 HA CYS 8 HA CYS 8 0.893 -3.880 5.880 41 1HB CYS 8 2HB CYS 8 3.283 -2.973 6.494 42 2HB CYS 8 1HB CYS 8 2.892 -1.725 5.313 43 H HIS 9 H HIS 9 2.561 -2.809 2.940 44 HA HIS 9 HA HIS 9 0.637 -0.914 2.145 45 1HB HIS 9 2HB HIS 9 2.984 -1.233 1.205 46 2HB HIS 9 1HB HIS 9 2.313 -2.548 0.246 47 HD1 HIS 9 1HD HIS 9 -0.266 -1.361 -0.800 48 HD2 HIS 9 2HD HIS 9 3.275 0.809 -0.543 49 HE1 HIS 9 1HE HIS 9 -0.489 0.501 -2.476 50 HE2 HIS 9 2HE HIS 9 1.710 1.721 -2.390 51 H LEU 10 H LEU 10 0.999 -4.353 1.262 52 HA LEU 10 HA LEU 10 -1.223 -4.387 -0.491 53 1HB LEU 10 2HB LEU 10 0.137 -6.635 0.989 54 2HB LEU 10 1HB LEU 10 -1.084 -6.868 -0.248 55 HG LEU 10 HG LEU 10 1.611 -5.572 -0.669 56 1HD1 LEU 10 1HD1 LEU 10 0.748 -8.321 -0.669 57 2HD1 LEU 10 2HD1 LEU 10 2.370 -7.650 -0.842 58 3HD1 LEU 10 3HD1 LEU 10 1.340 -7.842 -2.261 59 1HD2 LEU 10 1HD2 LEU 10 0.246 -4.566 -2.250 60 2HD2 LEU 10 2HD2 LEU 10 -0.757 -6.004 -2.447 61 3HD2 LEU 10 3HD2 LEU 10 0.874 -5.967 -3.118 62 H GLU 11 H GLU 11 -0.894 -5.634 2.822 63 HA GLU 11 HA GLU 11 -3.585 -6.360 3.148 64 1HB GLU 11 2HB GLU 11 -2.282 -7.360 4.726 65 2HB GLU 11 1HB GLU 11 -1.203 -5.987 4.864 66 1HG GLU 11 2HG GLU 11 -2.374 -6.458 6.943 67 2HG GLU 11 1HG GLU 11 -2.757 -4.860 6.319 68 H HIS 12 H HIS 12 -1.865 -3.418 4.169 69 HA HIS 12 HA HIS 12 -4.445 -2.211 4.798 70 1HB HIS 12 2HB HIS 12 -1.681 -1.103 5.295 71 2HB HIS 12 1HB HIS 12 -3.196 -0.467 5.922 72 HD1 HIS 12 1HD HIS 12 -4.556 -2.300 7.482 73 HD2 HIS 12 2HD HIS 12 -0.464 -2.885 6.979 74 HE1 HIS 12 1HE HIS 12 -3.858 -3.809 9.360 75 HE2 HIS 12 2HE HIS 12 -1.435 -4.314 8.902 76 H SER 13 H SER 13 -4.246 -2.590 2.140 77 HA SER 13 HA SER 13 -3.100 -0.453 0.683 78 1HB SER 13 2HB SER 13 -5.444 -2.262 0.037 79 2HB SER 13 1HB SER 13 -4.766 -1.098 -1.102 80 HG SER 13 HG SER 13 -3.583 -3.427 -0.019 81 H ASN 14 H ASN 14 -5.955 -0.835 2.541 82 HA ASN 14 HA ASN 14 -7.477 1.339 1.592 83 1HB ASN 14 2HB ASN 14 -8.448 1.167 4.025 84 2HB ASN 14 1HB ASN 14 -8.732 -0.133 2.874 85 1HD2 ASN 14 1HD2 ASN 14 -8.533 -2.055 3.747 86 2HD2 ASN 14 2HD2 ASN 14 -7.421 -2.511 4.989 87 H LEU 15 H LEU 15 -5.007 1.049 4.113 88 HA LEU 15 HA LEU 15 -5.272 3.813 4.897 89 1HB LEU 15 2HB LEU 15 -3.161 1.764 5.585 90 2HB LEU 15 1HB LEU 15 -3.308 3.348 6.322 91 HG LEU 15 HG LEU 15 -5.349 1.130 6.521 92 1HD1 LEU 15 1HD1 LEU 15 -3.856 0.350 8.010 93 2HD1 LEU 15 2HD1 LEU 15 -4.514 1.620 9.041 94 3HD1 LEU 15 3HD1 LEU 15 -3.020 1.897 8.146 95 1HD2 LEU 15 1HD2 LEU 15 -5.815 3.013 8.499 96 2HD2 LEU 15 2HD2 LEU 15 -6.767 2.769 7.034 97 3HD2 LEU 15 3HD2 LEU 15 -5.480 3.974 7.059 98 H CYS 16 H CYS 16 -2.942 1.837 3.118 99 HA CYS 16 HA CYS 16 -1.354 4.156 2.434 100 1HB CYS 16 2HB CYS 16 -1.086 1.217 2.086 101 2HB CYS 16 1HB CYS 16 -0.218 2.255 0.958 102 H GLY 17 H GLY 17 -3.982 4.360 1.500 103 1HA GLY 17 2HA GLY 17 -4.213 3.616 -1.240 104 2HA GLY 17 1HA GLY 17 -5.189 4.821 -0.406 105 H GLY 18 H GLY 18 -3.090 6.498 0.438 106 1HA GLY 18 2HA GLY 18 -1.561 7.289 -1.880 107 2HA GLY 18 1HA GLY 18 -2.879 8.382 -1.484 108 H ALA 19 H ALA 19 -1.038 6.581 0.886 109 HA ALA 19 HA ALA 19 -0.366 9.003 2.281 110 1HB ALA 19 1HB ALA 19 -0.242 6.115 2.837 111 2HB ALA 19 2HB ALA 19 -0.703 7.454 3.887 112 3HB ALA 19 3HB ALA 19 1.003 7.092 3.616 113 H ALA 20 H ALA 20 1.274 6.603 0.365 114 HA ALA 20 HA ALA 20 3.297 6.478 -0.638 115 1HB ALA 20 1HB ALA 20 3.418 9.467 -0.298 116 2HB ALA 20 2HB ALA 20 2.513 8.648 -1.570 117 3HB ALA 20 3HB ALA 20 4.267 8.487 -1.493 118 H GLY 21 H GLY 21 3.182 6.237 2.273 119 1HA GLY 21 2HA GLY 21 5.838 5.879 2.865 120 2HA GLY 21 1HA GLY 21 5.495 7.532 3.353 121 H GLY 22 H GLY 22 5.460 7.489 5.492 122 1HA GLY 22 2HA GLY 22 4.736 7.071 7.622 123 2HA GLY 22 1HA GLY 22 3.303 6.360 6.901 Start of MODEL 13 1 1H GLY 1 H GLY 1 5.699 5.362 6.183 2 1HA GLY 1 2HA GLY 1 7.181 3.638 6.593 3 2HA GLY 1 1HA GLY 1 6.431 3.413 8.161 4 H CYS 2 H CYS 2 3.799 2.952 7.266 5 HA CYS 2 HA CYS 2 3.757 0.204 6.925 6 1HB CYS 2 2HB CYS 2 1.852 1.538 7.730 7 2HB CYS 2 1HB CYS 2 1.635 2.205 6.122 8 H CYS 3 H CYS 3 3.325 2.726 4.472 9 HA CYS 3 HA CYS 3 2.891 0.999 2.306 10 1HB CYS 3 2HB CYS 3 4.033 3.791 2.304 11 2HB CYS 3 1HB CYS 3 3.431 2.938 0.885 12 H SER 4 H SER 4 5.836 1.958 3.868 13 HA SER 4 HA SER 4 7.628 1.371 1.760 14 1HB SER 4 2HB SER 4 8.135 1.236 4.745 15 2HB SER 4 1HB SER 4 9.352 1.400 3.478 16 HG SER 4 HG SER 4 8.974 3.462 3.424 17 H ASN 5 H ASN 5 6.057 -0.549 4.225 18 HA ASN 5 HA ASN 5 7.575 -2.930 3.520 19 1HB ASN 5 2HB ASN 5 5.327 -2.494 5.503 20 2HB ASN 5 1HB ASN 5 6.128 -4.038 5.241 21 1HD2 ASN 5 1HD2 ASN 5 7.602 -4.486 6.703 22 2HD2 ASN 5 2HD2 ASN 5 8.587 -3.345 7.545 23 HA PRO 6 HA PRO 6 4.793 -3.897 0.179 24 1HB PRO 6 2HB PRO 6 5.443 -6.618 0.189 25 2HB PRO 6 1HB PRO 6 6.251 -5.361 -0.750 26 1HG PRO 6 2HG PRO 6 7.038 -6.589 1.850 27 2HG PRO 6 1HG PRO 6 8.060 -6.051 0.503 28 1HD PRO 6 2HD PRO 6 7.840 -4.607 2.747 29 2HD PRO 6 1HD PRO 6 7.956 -3.823 1.157 30 H VAL 7 H VAL 7 4.973 -5.981 3.050 31 HA VAL 7 HA VAL 7 2.481 -7.258 2.684 32 HB VAL 7 HB VAL 7 3.678 -6.712 5.388 33 1HG1 VAL 7 1HG1 VAL 7 2.506 -8.538 6.124 34 2HG1 VAL 7 2HG1 VAL 7 2.472 -9.299 4.532 35 3HG1 VAL 7 3HG1 VAL 7 1.416 -7.930 4.877 36 1HG2 VAL 7 1HG2 VAL 7 5.438 -7.492 3.750 37 2HG2 VAL 7 2HG2 VAL 7 4.522 -8.992 3.604 38 3HG2 VAL 7 3HG2 VAL 7 5.202 -8.521 5.162 39 H CYS 8 H CYS 8 3.457 -4.568 4.772 40 HA CYS 8 HA CYS 8 0.940 -4.003 5.830 41 1HB CYS 8 2HB CYS 8 3.289 -3.114 6.506 42 2HB CYS 8 1HB CYS 8 2.965 -1.842 5.332 43 H HIS 9 H HIS 9 2.537 -2.742 2.920 44 HA HIS 9 HA HIS 9 0.610 -0.814 2.267 45 1HB HIS 9 2HB HIS 9 2.893 -1.100 1.207 46 2HB HIS 9 1HB HIS 9 2.198 -2.413 0.260 47 HD1 HIS 9 1HD HIS 9 -0.295 -1.405 -0.892 48 HD2 HIS 9 2HD HIS 9 2.950 1.127 -0.306 49 HE1 HIS 9 1HE HIS 9 -0.655 0.523 -2.460 50 HE2 HIS 9 2HE HIS 9 1.207 2.132 -1.934 51 H LEU 10 H LEU 10 0.866 -4.220 1.255 52 HA LEU 10 HA LEU 10 -1.504 -4.130 -0.331 53 1HB LEU 10 2HB LEU 10 0.002 -6.485 0.806 54 2HB LEU 10 1HB LEU 10 -1.293 -6.601 -0.371 55 HG LEU 10 HG LEU 10 1.363 -5.230 -0.813 56 1HD1 LEU 10 1HD1 LEU 10 1.421 -7.724 -0.667 57 2HD1 LEU 10 2HD1 LEU 10 1.920 -7.068 -2.227 58 3HD1 LEU 10 3HD1 LEU 10 0.314 -7.772 -2.039 59 1HD2 LEU 10 1HD2 LEU 10 -0.252 -4.104 -2.128 60 2HD2 LEU 10 2HD2 LEU 10 -1.043 -5.615 -2.582 61 3HD2 LEU 10 3HD2 LEU 10 0.563 -5.236 -3.207 62 H GLU 11 H GLU 11 -0.785 -5.517 2.854 63 HA GLU 11 HA GLU 11 -3.333 -6.500 3.451 64 1HB GLU 11 2HB GLU 11 -1.290 -7.076 4.688 65 2HB GLU 11 1HB GLU 11 -1.192 -5.436 5.303 66 1HG GLU 11 2HG GLU 11 -3.356 -5.802 6.460 67 2HG GLU 11 1HG GLU 11 -3.299 -7.486 5.934 68 H HIS 12 H HIS 12 -1.892 -3.325 3.964 69 HA HIS 12 HA HIS 12 -4.504 -2.340 4.903 70 1HB HIS 12 2HB HIS 12 -1.783 -1.080 5.313 71 2HB HIS 12 1HB HIS 12 -3.304 -0.533 6.004 72 HD1 HIS 12 1HD HIS 12 -4.330 -1.979 7.919 73 HD2 HIS 12 2HD HIS 12 -0.573 -3.233 6.650 74 HE1 HIS 12 1HE HIS 12 -3.552 -3.625 9.642 75 HE2 HIS 12 2HE HIS 12 -1.471 -4.619 8.644 76 H SER 13 H SER 13 -4.307 -2.688 2.223 77 HA SER 13 HA SER 13 -3.263 -0.586 0.713 78 1HB SER 13 2HB SER 13 -5.657 -2.360 0.196 79 2HB SER 13 1HB SER 13 -4.998 -1.239 -0.994 80 HG SER 13 HG SER 13 -3.823 -3.560 0.107 81 H ASN 14 H ASN 14 -6.135 -0.777 2.645 82 HA ASN 14 HA ASN 14 -7.555 1.407 1.571 83 1HB ASN 14 2HB ASN 14 -7.563 0.169 4.327 84 2HB ASN 14 1HB ASN 14 -8.650 1.472 3.859 85 1HD2 ASN 14 1HD2 ASN 14 -8.327 -0.120 1.088 86 2HD2 ASN 14 2HD2 ASN 14 -9.607 -1.269 1.229 87 H LEU 15 H LEU 15 -5.001 1.168 3.986 88 HA LEU 15 HA LEU 15 -5.155 3.993 4.620 89 1HB LEU 15 2HB LEU 15 -3.121 1.911 5.430 90 2HB LEU 15 1HB LEU 15 -3.229 3.537 6.078 91 HG LEU 15 HG LEU 15 -5.336 1.395 6.391 92 1HD1 LEU 15 1HD1 LEU 15 -4.569 1.750 8.856 93 2HD1 LEU 15 2HD1 LEU 15 -3.076 2.316 8.108 94 3HD1 LEU 15 3HD1 LEU 15 -3.657 0.680 7.792 95 1HD2 LEU 15 1HD2 LEU 15 -6.070 3.837 6.330 96 2HD2 LEU 15 2HD2 LEU 15 -5.176 4.022 7.839 97 3HD2 LEU 15 3HD2 LEU 15 -6.529 2.894 7.749 98 H CYS 16 H CYS 16 -2.941 1.774 3.002 99 HA CYS 16 HA CYS 16 -1.208 3.905 2.134 100 1HB CYS 16 2HB CYS 16 -1.204 0.936 1.950 101 2HB CYS 16 1HB CYS 16 -0.254 1.834 0.770 102 H GLY 17 H GLY 17 -3.784 4.325 1.224 103 1HA GLY 17 2HA GLY 17 -4.101 3.423 -1.478 104 2HA GLY 17 1HA GLY 17 -5.022 4.697 -0.690 105 H GLY 18 H GLY 18 -3.078 6.482 0.007 106 1HA GLY 18 2HA GLY 18 -1.144 7.072 -1.914 107 2HA GLY 18 1HA GLY 18 -2.634 7.856 -2.415 108 H ALA 19 H ALA 19 0.091 8.704 -1.247 109 HA ALA 19 HA ALA 19 0.930 10.375 0.030 110 1HB ALA 19 1HB ALA 19 -0.539 11.836 -1.115 111 2HB ALA 19 2HB ALA 19 -0.648 12.256 0.593 112 3HB ALA 19 3HB ALA 19 -1.925 11.304 -0.164 113 H ALA 20 H ALA 20 0.334 8.023 1.383 114 HA ALA 20 HA ALA 20 0.154 9.028 4.089 115 1HB ALA 20 1HB ALA 20 -1.565 6.742 4.010 116 2HB ALA 20 2HB ALA 20 -2.152 7.952 2.871 117 3HB ALA 20 3HB ALA 20 -1.920 8.377 4.566 118 H GLY 21 H GLY 21 2.396 8.167 3.104 119 1HA GLY 21 2HA GLY 21 2.925 5.425 2.997 120 2HA GLY 21 1HA GLY 21 4.111 6.665 3.370 121 H GLY 22 H GLY 22 3.788 7.573 5.696 122 1HA GLY 22 2HA GLY 22 4.186 7.139 7.912 123 2HA GLY 22 1HA GLY 22 2.681 6.247 7.805 Start of MODEL 14 1 1H GLY 1 H GLY 1 3.809 4.971 6.560 2 1HA GLY 1 2HA GLY 1 6.509 4.620 6.034 3 2HA GLY 1 1HA GLY 1 6.295 4.196 7.727 4 H CYS 2 H CYS 2 3.545 3.256 7.183 5 HA CYS 2 HA CYS 2 3.898 0.540 7.015 6 1HB CYS 2 2HB CYS 2 1.825 1.494 7.757 7 2HB CYS 2 1HB CYS 2 1.550 2.257 6.205 8 H CYS 3 H CYS 3 3.210 2.777 4.405 9 HA CYS 3 HA CYS 3 2.835 0.989 2.320 10 1HB CYS 3 2HB CYS 3 4.084 3.725 2.109 11 2HB CYS 3 1HB CYS 3 3.248 2.844 0.834 12 H SER 4 H SER 4 5.827 1.981 3.813 13 HA SER 4 HA SER 4 7.564 1.319 1.681 14 1HB SER 4 2HB SER 4 8.233 2.707 3.635 15 2HB SER 4 1HB SER 4 8.154 1.269 4.652 16 HG SER 4 HG SER 4 9.663 0.661 2.578 17 H ASN 5 H ASN 5 5.961 -0.557 4.138 18 HA ASN 5 HA ASN 5 7.524 -2.936 3.527 19 1HB ASN 5 2HB ASN 5 5.276 -2.401 5.473 20 2HB ASN 5 1HB ASN 5 5.927 -4.011 5.195 21 1HD2 ASN 5 1HD2 ASN 5 8.455 -1.952 4.798 22 2HD2 ASN 5 2HD2 ASN 5 9.089 -1.971 6.405 23 HA PRO 6 HA PRO 6 4.843 -4.048 0.162 24 1HB PRO 6 2HB PRO 6 5.470 -6.761 0.259 25 2HB PRO 6 1HB PRO 6 6.351 -5.534 -0.654 26 1HG PRO 6 2HG PRO 6 6.964 -6.717 2.015 27 2HG PRO 6 1HG PRO 6 8.071 -6.245 0.713 28 1HD PRO 6 2HD PRO 6 7.759 -4.731 2.900 29 2HD PRO 6 1HD PRO 6 7.997 -3.999 1.298 30 H VAL 7 H VAL 7 4.942 -6.081 3.077 31 HA VAL 7 HA VAL 7 2.422 -7.302 2.685 32 HB VAL 7 HB VAL 7 3.625 -6.794 5.395 33 1HG1 VAL 7 1HG1 VAL 7 2.523 -9.423 4.804 34 2HG1 VAL 7 2HG1 VAL 7 1.355 -8.118 4.599 35 3HG1 VAL 7 3HG1 VAL 7 2.187 -8.323 6.141 36 1HG2 VAL 7 1HG2 VAL 7 4.379 -9.223 3.830 37 2HG2 VAL 7 2HG2 VAL 7 5.224 -8.435 5.162 38 3HG2 VAL 7 3HG2 VAL 7 5.253 -7.716 3.552 39 H CYS 8 H CYS 8 3.463 -4.653 4.791 40 HA CYS 8 HA CYS 8 0.973 -4.012 5.850 41 1HB CYS 8 2HB CYS 8 3.323 -3.203 6.544 42 2HB CYS 8 1HB CYS 8 3.095 -1.940 5.339 43 H HIS 9 H HIS 9 2.563 -2.800 2.911 44 HA HIS 9 HA HIS 9 0.650 -0.836 2.281 45 1HB HIS 9 2HB HIS 9 2.941 -1.137 1.222 46 2HB HIS 9 1HB HIS 9 2.225 -2.423 0.255 47 HD1 HIS 9 1HD HIS 9 -0.277 -1.324 -0.842 48 HD2 HIS 9 2HD HIS 9 3.068 1.086 -0.293 49 HE1 HIS 9 1HE HIS 9 -0.589 0.627 -2.395 50 HE2 HIS 9 2HE HIS 9 1.335 2.173 -1.882 51 H LEU 10 H LEU 10 0.904 -4.232 1.256 52 HA LEU 10 HA LEU 10 -1.445 -4.149 -0.355 53 1HB LEU 10 2HB LEU 10 0.371 -5.773 -0.700 54 2HB LEU 10 1HB LEU 10 -0.004 -6.517 0.842 55 HG LEU 10 HG LEU 10 -2.241 -7.139 -0.036 56 1HD1 LEU 10 1HD1 LEU 10 -2.230 -5.282 -1.769 57 2HD1 LEU 10 2HD1 LEU 10 -2.835 -6.853 -2.294 58 3HD1 LEU 10 3HD1 LEU 10 -1.208 -6.340 -2.743 59 1HD2 LEU 10 1HD2 LEU 10 0.323 -8.188 -0.837 60 2HD2 LEU 10 2HD2 LEU 10 -0.912 -8.526 -2.050 61 3HD2 LEU 10 3HD2 LEU 10 -1.150 -9.043 -0.380 62 H GLU 11 H GLU 11 -0.776 -5.535 2.841 63 HA GLU 11 HA GLU 11 -3.338 -6.493 3.415 64 1HB GLU 11 2HB GLU 11 -1.306 -7.098 4.655 65 2HB GLU 11 1HB GLU 11 -1.195 -5.463 5.285 66 1HG GLU 11 2HG GLU 11 -3.368 -5.819 6.429 67 2HG GLU 11 1HG GLU 11 -3.322 -7.501 5.891 68 H HIS 12 H HIS 12 -1.888 -3.322 3.898 69 HA HIS 12 HA HIS 12 -4.497 -2.332 4.843 70 1HB HIS 12 2HB HIS 12 -1.781 -1.081 5.302 71 2HB HIS 12 1HB HIS 12 -3.311 -0.555 5.990 72 HD1 HIS 12 1HD HIS 12 -4.359 -2.070 7.849 73 HD2 HIS 12 2HD HIS 12 -0.552 -3.220 6.637 74 HE1 HIS 12 1HE HIS 12 -3.580 -3.723 9.562 75 HE2 HIS 12 2HE HIS 12 -1.459 -4.657 8.593 76 H SER 13 H SER 13 -4.283 -2.642 2.166 77 HA SER 13 HA SER 13 -3.186 -0.537 0.699 78 1HB SER 13 2HB SER 13 -5.609 -2.254 0.125 79 2HB SER 13 1HB SER 13 -4.892 -1.145 -1.044 80 HG SER 13 HG SER 13 -3.818 -3.511 0.061 81 H ASN 14 H ASN 14 -6.167 -0.761 2.494 82 HA ASN 14 HA ASN 14 -7.485 1.498 1.465 83 1HB ASN 14 2HB ASN 14 -7.654 0.328 4.253 84 2HB ASN 14 1HB ASN 14 -8.808 1.448 3.540 85 1HD2 ASN 14 1HD2 ASN 14 -10.570 0.530 2.795 86 2HD2 ASN 14 2HD2 ASN 14 -10.704 -1.083 2.189 87 H LEU 15 H LEU 15 -5.049 1.120 3.978 88 HA LEU 15 HA LEU 15 -5.211 3.920 4.726 89 1HB LEU 15 2HB LEU 15 -3.389 1.683 5.623 90 2HB LEU 15 1HB LEU 15 -3.256 3.328 6.207 91 HG LEU 15 HG LEU 15 -4.411 2.147 7.881 92 1HD1 LEU 15 1HD1 LEU 15 -6.413 3.642 6.202 93 2HD1 LEU 15 2HD1 LEU 15 -5.391 4.295 7.484 94 3HD1 LEU 15 3HD1 LEU 15 -6.672 3.147 7.876 95 1HD2 LEU 15 1HD2 LEU 15 -6.463 0.828 7.424 96 2HD2 LEU 15 2HD2 LEU 15 -5.003 0.144 6.709 97 3HD2 LEU 15 3HD2 LEU 15 -6.153 1.019 5.698 98 H CYS 16 H CYS 16 -3.117 1.756 2.945 99 HA CYS 16 HA CYS 16 -1.312 3.947 2.312 100 1HB CYS 16 2HB CYS 16 -1.090 0.995 2.274 101 2HB CYS 16 1HB CYS 16 -0.173 1.878 1.055 102 H GLY 17 H GLY 17 -3.623 4.472 1.181 103 1HA GLY 17 2HA GLY 17 -3.877 3.415 -1.487 104 2HA GLY 17 1HA GLY 17 -4.733 4.804 -0.828 105 H GLY 18 H GLY 18 -1.296 4.129 -1.194 106 1HA GLY 18 2HA GLY 18 -0.643 5.605 -3.410 107 2HA GLY 18 1HA GLY 18 -0.686 6.767 -2.084 108 H ALA 19 H ALA 19 1.338 7.166 -1.453 109 HA ALA 19 HA ALA 19 2.985 4.944 -0.574 110 1HB ALA 19 1HB ALA 19 3.864 6.824 -2.758 111 2HB ALA 19 2HB ALA 19 3.725 5.067 -2.836 112 3HB ALA 19 3HB ALA 19 4.974 5.809 -1.835 113 H ALA 20 H ALA 20 1.719 6.807 0.996 114 HA ALA 20 HA ALA 20 3.991 8.071 2.277 115 1HB ALA 20 1HB ALA 20 3.631 10.071 1.345 116 2HB ALA 20 2HB ALA 20 2.205 10.162 2.379 117 3HB ALA 20 3HB ALA 20 2.054 9.591 0.717 118 H GLY 21 H GLY 21 2.311 5.921 3.009 119 1HA GLY 21 2HA GLY 21 0.380 6.890 4.933 120 2HA GLY 21 1HA GLY 21 0.787 5.212 4.616 121 H GLY 22 H GLY 22 2.816 7.946 5.614 122 1HA GLY 22 2HA GLY 22 4.006 8.339 7.541 123 2HA GLY 22 1HA GLY 22 3.096 7.050 8.309 Start of MODEL 15 1 1H GLY 1 H GLY 1 4.237 6.257 5.953 2 1HA GLY 1 2HA GLY 1 6.782 5.161 6.031 3 2HA GLY 1 1HA GLY 1 5.717 5.283 7.416 4 H CYS 2 H CYS 2 3.861 3.528 7.212 5 HA CYS 2 HA CYS 2 5.164 1.008 7.465 6 1HB CYS 2 2HB CYS 2 3.115 1.745 8.739 7 2HB CYS 2 1HB CYS 2 2.192 1.525 7.263 8 H CYS 3 H CYS 3 3.256 2.567 5.032 9 HA CYS 3 HA CYS 3 2.702 0.402 3.370 10 1HB CYS 3 2HB CYS 3 3.074 3.309 2.661 11 2HB CYS 3 1HB CYS 3 2.305 2.096 1.636 12 H SER 4 H SER 4 5.698 1.865 4.012 13 HA SER 4 HA SER 4 6.992 1.492 1.526 14 1HB SER 4 2HB SER 4 7.913 2.868 3.409 15 2HB SER 4 1HB SER 4 8.221 1.377 4.298 16 HG SER 4 HG SER 4 9.398 0.850 2.162 17 H ASN 5 H ASN 5 5.990 -0.586 4.078 18 HA ASN 5 HA ASN 5 7.618 -2.836 3.199 19 1HB ASN 5 2HB ASN 5 5.460 -2.617 5.315 20 2HB ASN 5 1HB ASN 5 6.402 -4.069 4.993 21 1HD2 ASN 5 1HD2 ASN 5 6.171 -1.381 6.890 22 2HD2 ASN 5 2HD2 ASN 5 7.792 -1.320 7.484 23 HA PRO 6 HA PRO 6 4.720 -4.049 0.053 24 1HB PRO 6 2HB PRO 6 5.771 -6.754 0.738 25 2HB PRO 6 1HB PRO 6 5.628 -5.966 -0.837 26 1HG PRO 6 2HG PRO 6 7.994 -6.165 0.360 27 2HG PRO 6 1HG PRO 6 7.545 -4.694 -0.524 28 1HD PRO 6 2HD PRO 6 7.645 -5.185 2.419 29 2HD PRO 6 1HD PRO 6 8.042 -3.716 1.504 30 H VAL 7 H VAL 7 4.967 -6.002 3.018 31 HA VAL 7 HA VAL 7 2.476 -7.296 2.776 32 HB VAL 7 HB VAL 7 3.768 -6.594 5.405 33 1HG1 VAL 7 1HG1 VAL 7 2.682 -8.489 6.268 34 2HG1 VAL 7 2HG1 VAL 7 2.303 -9.109 4.658 35 3HG1 VAL 7 3HG1 VAL 7 1.476 -7.675 5.269 36 1HG2 VAL 7 1HG2 VAL 7 5.431 -8.112 5.153 37 2HG2 VAL 7 2HG2 VAL 7 5.209 -7.744 3.442 38 3HG2 VAL 7 3HG2 VAL 7 4.454 -9.177 4.142 39 H CYS 8 H CYS 8 3.459 -4.493 4.703 40 HA CYS 8 HA CYS 8 0.925 -3.886 5.728 41 1HB CYS 8 2HB CYS 8 3.113 -2.986 6.572 42 2HB CYS 8 1HB CYS 8 3.137 -1.902 5.185 43 H HIS 9 H HIS 9 2.561 -2.803 2.790 44 HA HIS 9 HA HIS 9 0.710 -0.848 2.010 45 1HB HIS 9 2HB HIS 9 3.014 -1.357 1.012 46 2HB HIS 9 1HB HIS 9 2.198 -2.604 0.072 47 HD1 HIS 9 1HD HIS 9 -0.211 -1.328 -1.044 48 HD2 HIS 9 2HD HIS 9 3.328 0.804 -0.562 49 HE1 HIS 9 1HE HIS 9 -0.363 0.606 -2.645 50 HE2 HIS 9 2HE HIS 9 1.710 1.968 -2.211 51 H LEU 10 H LEU 10 0.834 -4.312 1.250 52 HA LEU 10 HA LEU 10 -1.523 -4.211 -0.379 53 1HB LEU 10 2HB LEU 10 -0.055 -6.563 0.812 54 2HB LEU 10 1HB LEU 10 -1.351 -6.682 -0.362 55 HG LEU 10 HG LEU 10 1.324 -5.363 -0.839 56 1HD1 LEU 10 1HD1 LEU 10 1.682 -7.269 -2.374 57 2HD1 LEU 10 2HD1 LEU 10 0.201 -8.003 -1.760 58 3HD1 LEU 10 3HD1 LEU 10 1.573 -7.751 -0.682 59 1HD2 LEU 10 1HD2 LEU 10 -1.023 -4.775 -2.087 60 2HD2 LEU 10 2HD2 LEU 10 -0.388 -6.061 -3.112 61 3HD2 LEU 10 3HD2 LEU 10 0.575 -4.613 -2.814 62 H GLU 11 H GLU 11 -0.819 -5.526 2.846 63 HA GLU 11 HA GLU 11 -3.393 -6.448 3.447 64 1HB GLU 11 2HB GLU 11 -1.427 -7.112 4.718 65 2HB GLU 11 1HB GLU 11 -1.192 -5.462 5.269 66 1HG GLU 11 2HG GLU 11 -3.346 -5.596 6.468 67 2HG GLU 11 1HG GLU 11 -3.476 -7.286 5.978 68 H HIS 12 H HIS 12 -1.862 -3.319 4.075 69 HA HIS 12 HA HIS 12 -4.466 -2.288 4.975 70 1HB HIS 12 2HB HIS 12 -1.759 -0.980 5.309 71 2HB HIS 12 1HB HIS 12 -3.269 -0.508 6.074 72 HD1 HIS 12 1HD HIS 12 -4.207 -2.148 7.932 73 HD2 HIS 12 2HD HIS 12 -0.357 -2.987 6.618 74 HE1 HIS 12 1HE HIS 12 -3.268 -3.774 9.596 75 HE2 HIS 12 2HE HIS 12 -1.103 -4.528 8.549 76 H SER 13 H SER 13 -4.264 -2.721 2.320 77 HA SER 13 HA SER 13 -3.257 -0.711 0.697 78 1HB SER 13 2HB SER 13 -5.354 -1.446 -0.754 79 2HB SER 13 1HB SER 13 -3.991 -2.537 -0.502 80 HG SER 13 HG SER 13 -5.243 -3.818 0.593 81 H ASN 14 H ASN 14 -6.158 -0.819 2.618 82 HA ASN 14 HA ASN 14 -7.564 1.343 1.536 83 1HB ASN 14 2HB ASN 14 -8.594 -0.189 3.124 84 2HB ASN 14 1HB ASN 14 -7.468 0.307 4.380 85 1HD2 ASN 14 1HD2 ASN 14 -10.498 0.767 3.083 86 2HD2 ASN 14 2HD2 ASN 14 -10.900 2.255 3.863 87 H LEU 15 H LEU 15 -5.046 1.229 4.040 88 HA LEU 15 HA LEU 15 -5.136 4.089 4.422 89 1HB LEU 15 2HB LEU 15 -3.243 1.962 5.428 90 2HB LEU 15 1HB LEU 15 -3.058 3.664 5.801 91 HG LEU 15 HG LEU 15 -4.083 2.704 7.688 92 1HD1 LEU 15 1HD1 LEU 15 -6.608 3.552 7.271 93 2HD1 LEU 15 2HD1 LEU 15 -5.769 4.371 5.955 94 3HD1 LEU 15 3HD1 LEU 15 -5.248 4.618 7.622 95 1HD2 LEU 15 1HD2 LEU 15 -6.510 1.612 6.566 96 2HD2 LEU 15 2HD2 LEU 15 -5.343 0.877 7.666 97 3HD2 LEU 15 3HD2 LEU 15 -5.079 0.807 5.924 98 H CYS 16 H CYS 16 -3.108 1.742 2.808 99 HA CYS 16 HA CYS 16 -1.163 3.648 1.909 100 1HB CYS 16 2HB CYS 16 -1.639 0.768 1.127 101 2HB CYS 16 1HB CYS 16 -0.219 1.720 0.698 102 H GLY 17 H GLY 17 -3.703 4.459 1.096 103 1HA GLY 17 2HA GLY 17 -3.289 5.130 -1.560 104 2HA GLY 17 1HA GLY 17 -4.292 3.686 -1.577 105 H GLY 18 H GLY 18 -5.889 4.112 0.621 106 1HA GLY 18 2HA GLY 18 -7.766 5.984 -0.461 107 2HA GLY 18 1HA GLY 18 -7.975 5.011 0.985 108 H ALA 19 H ALA 19 -5.696 5.965 2.432 109 HA ALA 19 HA ALA 19 -6.740 8.602 3.122 110 1HB ALA 19 1HB ALA 19 -4.738 7.308 4.863 111 2HB ALA 19 2HB ALA 19 -6.305 6.509 4.731 112 3HB ALA 19 3HB ALA 19 -6.211 8.182 5.281 113 H ALA 20 H ALA 20 -3.542 7.333 3.720 114 HA ALA 20 HA ALA 20 -2.049 8.672 1.794 115 1HB ALA 20 1HB ALA 20 -3.075 10.689 2.991 116 2HB ALA 20 2HB ALA 20 -1.326 10.691 2.758 117 3HB ALA 20 3HB ALA 20 -2.005 10.283 4.334 118 H GLY 21 H GLY 21 -1.901 6.224 3.068 119 1HA GLY 21 2HA GLY 21 0.023 6.210 5.174 120 2HA GLY 21 1HA GLY 21 -0.486 4.823 4.224 121 H GLY 22 H GLY 22 2.213 5.957 5.129 122 1HA GLY 22 2HA GLY 22 3.498 5.525 2.533 123 2HA GLY 22 1HA GLY 22 3.891 6.995 3.408 Start of MODEL 16 1 1H GLY 1 H GLY 1 4.080 6.157 5.790 2 1HA GLY 1 2HA GLY 1 6.741 5.251 5.706 3 2HA GLY 1 1HA GLY 1 5.780 5.428 7.163 4 H CYS 2 H CYS 2 3.831 3.618 6.868 5 HA CYS 2 HA CYS 2 5.191 1.130 7.329 6 1HB CYS 2 2HB CYS 2 3.105 1.913 8.539 7 2HB CYS 2 1HB CYS 2 2.214 1.594 7.060 8 H CYS 3 H CYS 3 3.349 2.620 4.823 9 HA CYS 3 HA CYS 3 2.753 0.460 3.181 10 1HB CYS 3 2HB CYS 3 3.390 3.279 2.318 11 2HB CYS 3 1HB CYS 3 2.413 2.099 1.444 12 H SER 4 H SER 4 5.798 1.883 3.835 13 HA SER 4 HA SER 4 7.145 1.337 1.417 14 1HB SER 4 2HB SER 4 8.286 1.341 4.226 15 2HB SER 4 1HB SER 4 9.190 1.554 2.726 16 HG SER 4 HG SER 4 7.129 3.315 2.920 17 H ASN 5 H ASN 5 6.044 -0.605 4.039 18 HA ASN 5 HA ASN 5 7.653 -2.917 3.303 19 1HB ASN 5 2HB ASN 5 5.440 -2.576 5.346 20 2HB ASN 5 1HB ASN 5 6.372 -4.050 5.116 21 1HD2 ASN 5 1HD2 ASN 5 6.115 -1.291 6.895 22 2HD2 ASN 5 2HD2 ASN 5 7.718 -1.218 7.532 23 HA PRO 6 HA PRO 6 4.803 -4.218 0.154 24 1HB PRO 6 2HB PRO 6 5.427 -6.932 0.388 25 2HB PRO 6 1HB PRO 6 6.240 -5.766 -0.660 26 1HG PRO 6 2HG PRO 6 7.037 -6.780 2.028 27 2HG PRO 6 1HG PRO 6 8.052 -6.372 0.633 28 1HD PRO 6 2HD PRO 6 7.871 -4.738 2.744 29 2HD PRO 6 1HD PRO 6 7.983 -4.096 1.092 30 H VAL 7 H VAL 7 4.987 -5.991 3.223 31 HA VAL 7 HA VAL 7 2.503 -7.311 2.989 32 HB VAL 7 HB VAL 7 3.767 -6.473 5.596 33 1HG1 VAL 7 1HG1 VAL 7 1.727 -8.455 4.760 34 2HG1 VAL 7 2HG1 VAL 7 1.813 -7.456 6.210 35 3HG1 VAL 7 3HG1 VAL 7 2.813 -8.902 6.076 36 1HG2 VAL 7 1HG2 VAL 7 5.296 -8.207 5.525 37 2HG2 VAL 7 2HG2 VAL 7 5.318 -7.638 3.855 38 3HG2 VAL 7 3HG2 VAL 7 4.403 -9.084 4.283 39 H CYS 8 H CYS 8 3.445 -4.407 4.790 40 HA CYS 8 HA CYS 8 0.899 -3.737 5.734 41 1HB CYS 8 2HB CYS 8 3.186 -2.781 6.423 42 2HB CYS 8 1HB CYS 8 2.993 -1.685 5.057 43 H HIS 9 H HIS 9 2.583 -2.801 2.770 44 HA HIS 9 HA HIS 9 0.774 -0.888 1.849 45 1HB HIS 9 2HB HIS 9 3.053 -1.465 0.887 46 2HB HIS 9 1HB HIS 9 2.264 -2.805 0.061 47 HD1 HIS 9 1HD HIS 9 -0.162 -1.656 -1.181 48 HD2 HIS 9 2HD HIS 9 3.370 0.525 -0.895 49 HE1 HIS 9 1HE HIS 9 -0.307 0.102 -2.971 50 HE2 HIS 9 2HE HIS 9 1.778 1.488 -2.693 51 H LEU 10 H LEU 10 0.815 -4.398 1.224 52 HA LEU 10 HA LEU 10 -1.590 -4.255 -0.344 53 1HB LEU 10 2HB LEU 10 0.204 -6.451 0.576 54 2HB LEU 10 1HB LEU 10 -1.405 -6.858 0.016 55 HG LEU 10 HG LEU 10 0.156 -7.132 -1.795 56 1HD1 LEU 10 1HD1 LEU 10 -0.816 -5.596 -3.459 57 2HD1 LEU 10 2HD1 LEU 10 -1.544 -4.671 -2.145 58 3HD1 LEU 10 3HD1 LEU 10 -2.030 -6.344 -2.421 59 1HD2 LEU 10 1HD2 LEU 10 1.986 -5.770 -1.242 60 2HD2 LEU 10 2HD2 LEU 10 0.986 -4.322 -1.136 61 3HD2 LEU 10 3HD2 LEU 10 1.312 -5.056 -2.707 62 H GLU 11 H GLU 11 -0.789 -5.577 2.855 63 HA GLU 11 HA GLU 11 -3.336 -6.512 3.526 64 1HB GLU 11 2HB GLU 11 -1.283 -7.097 4.742 65 2HB GLU 11 1HB GLU 11 -1.161 -5.450 5.338 66 1HG GLU 11 2HG GLU 11 -3.304 -5.764 6.524 67 2HG GLU 11 1HG GLU 11 -3.316 -7.445 5.992 68 H HIS 12 H HIS 12 -1.923 -3.306 3.789 69 HA HIS 12 HA HIS 12 -4.521 -2.326 4.783 70 1HB HIS 12 2HB HIS 12 -1.839 -1.006 5.235 71 2HB HIS 12 1HB HIS 12 -3.378 -0.567 5.961 72 HD1 HIS 12 1HD HIS 12 -4.392 -2.377 7.674 73 HD2 HIS 12 2HD HIS 12 -0.406 -2.896 6.630 74 HE1 HIS 12 1HE HIS 12 -3.458 -3.979 9.363 75 HE2 HIS 12 2HE HIS 12 -1.174 -4.543 8.466 76 H SER 13 H SER 13 -4.244 -2.674 2.105 77 HA SER 13 HA SER 13 -3.166 -0.587 0.613 78 1HB SER 13 2HB SER 13 -5.623 -2.266 0.050 79 2HB SER 13 1HB SER 13 -4.824 -1.232 -1.135 80 HG SER 13 HG SER 13 -3.881 -3.598 0.089 81 H ASN 14 H ASN 14 -6.224 -0.826 2.311 82 HA ASN 14 HA ASN 14 -7.476 1.462 1.266 83 1HB ASN 14 2HB ASN 14 -7.799 0.212 4.005 84 2HB ASN 14 1HB ASN 14 -8.902 1.374 3.278 85 1HD2 ASN 14 1HD2 ASN 14 -10.632 0.518 2.393 86 2HD2 ASN 14 2HD2 ASN 14 -10.758 -1.071 1.729 87 H LEU 15 H LEU 15 -5.196 1.028 3.922 88 HA LEU 15 HA LEU 15 -5.424 3.762 4.804 89 1HB LEU 15 2HB LEU 15 -3.380 1.642 5.475 90 2HB LEU 15 1HB LEU 15 -3.523 3.195 6.275 91 HG LEU 15 HG LEU 15 -5.605 1.009 6.307 92 1HD1 LEU 15 1HD1 LEU 15 -3.266 1.504 7.915 93 2HD1 LEU 15 2HD1 LEU 15 -4.385 0.142 7.947 94 3HD1 LEU 15 3HD1 LEU 15 -4.735 1.590 8.887 95 1HD2 LEU 15 1HD2 LEU 15 -6.045 2.903 8.333 96 2HD2 LEU 15 2HD2 LEU 15 -7.043 2.588 6.914 97 3HD2 LEU 15 3HD2 LEU 15 -5.782 3.819 6.848 98 H CYS 16 H CYS 16 -3.271 1.848 2.829 99 HA CYS 16 HA CYS 16 -1.396 3.994 2.420 100 1HB CYS 16 2HB CYS 16 -1.644 1.220 1.259 101 2HB CYS 16 1HB CYS 16 -0.355 2.339 0.822 102 H GLY 17 H GLY 17 -3.974 4.748 1.672 103 1HA GLY 17 2HA GLY 17 -4.138 4.593 -1.229 104 2HA GLY 17 1HA GLY 17 -5.286 5.382 -0.158 105 H GLY 18 H GLY 18 -1.781 5.823 -0.451 106 1HA GLY 18 2HA GLY 18 -0.558 7.642 -1.186 107 2HA GLY 18 1HA GLY 18 -2.048 8.345 -1.801 108 H ALA 19 H ALA 19 -2.811 10.060 -0.792 109 HA ALA 19 HA ALA 19 -3.087 11.757 0.682 110 1HB ALA 19 1HB ALA 19 -4.187 10.901 2.401 111 2HB ALA 19 2HB ALA 19 -2.651 10.564 3.196 112 3HB ALA 19 3HB ALA 19 -3.397 9.342 2.169 113 H ALA 20 H ALA 20 -0.357 11.033 -0.244 114 HA ALA 20 HA ALA 20 1.787 11.721 -0.016 115 1HB ALA 20 1HB ALA 20 0.158 13.819 1.151 116 2HB ALA 20 2HB ALA 20 1.561 13.933 0.087 117 3HB ALA 20 3HB ALA 20 1.786 13.777 1.829 118 H GLY 21 H GLY 21 0.957 9.571 1.653 119 1HA GLY 21 2HA GLY 21 3.115 9.690 3.588 120 2HA GLY 21 1HA GLY 21 1.505 9.522 4.279 121 H GLY 22 H GLY 22 3.964 7.701 4.029 122 1HA GLY 22 2HA GLY 22 2.467 5.293 3.727 123 2HA GLY 22 1HA GLY 22 3.485 5.586 2.325 Start of MODEL 17 1 1H GLY 1 H GLY 1 4.933 6.344 5.894 2 1HA GLY 1 2HA GLY 1 7.231 4.837 6.141 3 2HA GLY 1 1HA GLY 1 6.091 5.105 7.442 4 H CYS 2 H CYS 2 3.975 3.668 6.948 5 HA CYS 2 HA CYS 2 4.866 0.983 7.285 6 1HB CYS 2 2HB CYS 2 2.762 2.126 8.274 7 2HB CYS 2 1HB CYS 2 2.010 1.751 6.728 8 H CYS 3 H CYS 3 3.494 2.833 4.679 9 HA CYS 3 HA CYS 3 2.792 0.817 2.894 10 1HB CYS 3 2HB CYS 3 3.884 3.526 2.142 11 2HB CYS 3 1HB CYS 3 2.769 2.522 1.218 12 H SER 4 H SER 4 5.920 1.985 3.793 13 HA SER 4 HA SER 4 7.384 1.266 1.498 14 1HB SER 4 2HB SER 4 8.315 1.296 4.382 15 2HB SER 4 1HB SER 4 9.348 1.351 2.953 16 HG SER 4 HG SER 4 7.345 3.291 3.225 17 H ASN 5 H ASN 5 6.003 -0.563 4.074 18 HA ASN 5 HA ASN 5 7.546 -2.956 3.482 19 1HB ASN 5 2HB ASN 5 5.259 -2.454 5.404 20 2HB ASN 5 1HB ASN 5 6.098 -3.993 5.237 21 1HD2 ASN 5 1HD2 ASN 5 5.943 -1.212 6.982 22 2HD2 ASN 5 2HD2 ASN 5 7.522 -1.227 7.681 23 HA PRO 6 HA PRO 6 4.801 -4.168 0.194 24 1HB PRO 6 2HB PRO 6 5.792 -6.868 0.964 25 2HB PRO 6 1HB PRO 6 5.759 -6.090 -0.622 26 1HG PRO 6 2HG PRO 6 8.041 -6.318 0.728 27 2HG PRO 6 1HG PRO 6 7.676 -4.851 -0.200 28 1HD PRO 6 2HD PRO 6 7.564 -5.306 2.749 29 2HD PRO 6 1HD PRO 6 8.066 -3.862 1.849 30 H VAL 7 H VAL 7 4.916 -5.952 3.254 31 HA VAL 7 HA VAL 7 2.449 -7.289 2.954 32 HB VAL 7 HB VAL 7 3.678 -6.468 5.585 33 1HG1 VAL 7 1HG1 VAL 7 2.404 -8.092 6.575 34 2HG1 VAL 7 2HG1 VAL 7 2.275 -9.049 5.099 35 3HG1 VAL 7 3HG1 VAL 7 1.320 -7.578 5.282 36 1HG2 VAL 7 1HG2 VAL 7 4.285 -9.131 4.432 37 2HG2 VAL 7 2HG2 VAL 7 5.263 -8.096 5.472 38 3HG2 VAL 7 3HG2 VAL 7 5.136 -7.747 3.748 39 H CYS 8 H CYS 8 3.325 -4.381 4.795 40 HA CYS 8 HA CYS 8 0.725 -3.747 5.639 41 1HB CYS 8 2HB CYS 8 2.823 -2.767 6.588 42 2HB CYS 8 1HB CYS 8 2.961 -1.778 5.134 43 H HIS 9 H HIS 9 2.519 -2.827 2.743 44 HA HIS 9 HA HIS 9 0.775 -0.884 1.758 45 1HB HIS 9 2HB HIS 9 3.091 -1.593 0.891 46 2HB HIS 9 1HB HIS 9 2.225 -2.830 -0.017 47 HD1 HIS 9 1HD HIS 9 -0.057 -1.450 -1.277 48 HD2 HIS 9 2HD HIS 9 3.609 0.454 -0.776 49 HE1 HIS 9 1HE HIS 9 -0.013 0.393 -2.988 50 HE2 HIS 9 2HE HIS 9 2.251 1.467 -2.732 51 H LEU 10 H LEU 10 0.768 -4.399 1.225 52 HA LEU 10 HA LEU 10 -1.605 -4.266 -0.409 53 1HB LEU 10 2HB LEU 10 0.157 -6.462 0.584 54 2HB LEU 10 1HB LEU 10 -1.441 -6.862 -0.010 55 HG LEU 10 HG LEU 10 -0.870 -5.805 -2.182 56 1HD1 LEU 10 1HD1 LEU 10 1.247 -5.008 -2.712 57 2HD1 LEU 10 2HD1 LEU 10 1.989 -5.757 -1.298 58 3HD1 LEU 10 3HD1 LEU 10 0.951 -4.345 -1.105 59 1HD2 LEU 10 1HD2 LEU 10 -0.054 -7.746 -2.953 60 2HD2 LEU 10 2HD2 LEU 10 -0.263 -8.283 -1.286 61 3HD2 LEU 10 3HD2 LEU 10 1.317 -7.731 -1.843 62 H GLU 11 H GLU 11 -0.846 -5.585 2.804 63 HA GLU 11 HA GLU 11 -3.393 -6.481 3.502 64 1HB GLU 11 2HB GLU 11 -1.333 -7.037 4.724 65 2HB GLU 11 1HB GLU 11 -1.208 -5.374 5.277 66 1HG GLU 11 2HG GLU 11 -3.378 -5.681 6.461 67 2HG GLU 11 1HG GLU 11 -3.313 -7.388 6.019 68 H HIS 12 H HIS 12 -1.866 -3.334 4.028 69 HA HIS 12 HA HIS 12 -4.472 -2.271 4.883 70 1HB HIS 12 2HB HIS 12 -1.728 -1.059 5.279 71 2HB HIS 12 1HB HIS 12 -3.242 -0.434 5.914 72 HD1 HIS 12 1HD HIS 12 -4.401 -1.868 7.809 73 HD2 HIS 12 2HD HIS 12 -0.554 -3.062 6.799 74 HE1 HIS 12 1HE HIS 12 -3.683 -3.427 9.635 75 HE2 HIS 12 2HE HIS 12 -1.532 -4.410 8.782 76 H SER 13 H SER 13 -4.264 -2.743 2.258 77 HA SER 13 HA SER 13 -3.176 -0.769 0.624 78 1HB SER 13 2HB SER 13 -5.173 -1.498 -0.910 79 2HB SER 13 1HB SER 13 -3.911 -2.664 -0.511 80 HG SER 13 HG SER 13 -5.321 -3.810 0.543 81 H ASN 14 H ASN 14 -6.149 -0.859 2.451 82 HA ASN 14 HA ASN 14 -7.366 1.423 1.286 83 1HB ASN 14 2HB ASN 14 -7.781 0.069 3.955 84 2HB ASN 14 1HB ASN 14 -8.751 1.428 3.400 85 1HD2 ASN 14 1HD2 ASN 14 -8.002 -0.233 0.685 86 2HD2 ASN 14 2HD2 ASN 14 -9.372 -1.279 0.596 87 H LEU 15 H LEU 15 -5.148 0.943 3.987 88 HA LEU 15 HA LEU 15 -5.319 3.649 4.910 89 1HB LEU 15 2HB LEU 15 -3.395 1.400 5.468 90 2HB LEU 15 1HB LEU 15 -3.156 3.005 6.129 91 HG LEU 15 HG LEU 15 -5.448 2.777 7.195 92 1HD1 LEU 15 1HD1 LEU 15 -6.177 0.887 5.727 93 2HD1 LEU 15 2HD1 LEU 15 -6.412 0.616 7.454 94 3HD1 LEU 15 3HD1 LEU 15 -5.063 -0.152 6.618 95 1HD2 LEU 15 1HD2 LEU 15 -4.470 0.993 8.870 96 2HD2 LEU 15 2HD2 LEU 15 -3.776 2.608 8.738 97 3HD2 LEU 15 3HD2 LEU 15 -3.006 1.248 7.921 98 H CYS 16 H CYS 16 -3.030 1.797 2.958 99 HA CYS 16 HA CYS 16 -1.477 4.184 2.387 100 1HB CYS 16 2HB CYS 16 -1.165 1.275 1.662 101 2HB CYS 16 1HB CYS 16 -0.125 2.525 0.989 102 H GLY 17 H GLY 17 -4.194 4.150 1.501 103 1HA GLY 17 2HA GLY 17 -3.996 3.821 -1.401 104 2HA GLY 17 1HA GLY 17 -5.473 4.093 -0.488 105 H GLY 18 H GLY 18 -3.840 5.467 -2.777 106 1HA GLY 18 2HA GLY 18 -3.729 7.603 -3.602 107 2HA GLY 18 1HA GLY 18 -4.845 8.063 -2.329 108 H ALA 19 H ALA 19 -1.752 6.620 -1.637 109 HA ALA 19 HA ALA 19 0.100 7.343 -0.555 110 1HB ALA 19 1HB ALA 19 1.195 9.116 -1.462 111 2HB ALA 19 2HB ALA 19 -0.235 10.148 -1.455 112 3HB ALA 19 3HB ALA 19 -0.050 8.907 -2.695 113 H ALA 20 H ALA 20 -2.126 7.227 1.009 114 HA ALA 20 HA ALA 20 -2.324 9.666 2.569 115 1HB ALA 20 1HB ALA 20 -4.181 8.754 3.573 116 2HB ALA 20 2HB ALA 20 -3.591 7.100 3.413 117 3HB ALA 20 3HB ALA 20 -4.221 7.951 2.004 118 H GLY 21 H GLY 21 0.168 8.097 2.369 119 1HA GLY 21 2HA GLY 21 1.087 8.385 4.999 120 2HA GLY 21 1HA GLY 21 0.698 6.687 4.747 121 H GLY 22 H GLY 22 2.797 5.919 4.812 122 1HA GLY 22 2HA GLY 22 4.218 5.738 2.463 123 2HA GLY 22 1HA GLY 22 4.908 7.115 3.306 Start of MODEL 18 1 1H GLY 1 H GLY 1 5.679 5.860 4.986 2 1HA GLY 1 2HA GLY 1 7.512 4.583 5.529 3 2HA GLY 1 1HA GLY 1 7.037 4.694 7.211 4 H CYS 2 H CYS 2 4.677 3.453 7.326 5 HA CYS 2 HA CYS 2 5.364 0.720 7.283 6 1HB CYS 2 2HB CYS 2 3.596 1.830 8.734 7 2HB CYS 2 1HB CYS 2 2.543 1.815 7.326 8 H CYS 3 H CYS 3 3.402 2.689 5.142 9 HA CYS 3 HA CYS 3 2.412 0.749 3.428 10 1HB CYS 3 2HB CYS 3 3.197 3.425 2.374 11 2HB CYS 3 1HB CYS 3 1.715 2.512 2.123 12 H SER 4 H SER 4 5.628 1.992 3.669 13 HA SER 4 HA SER 4 6.460 1.396 1.014 14 1HB SER 4 2HB SER 4 8.170 1.645 3.498 15 2HB SER 4 1HB SER 4 8.689 1.852 1.823 16 HG SER 4 HG SER 4 6.849 3.539 1.908 17 H ASN 5 H ASN 5 5.835 -0.495 3.773 18 HA ASN 5 HA ASN 5 7.567 -2.695 2.985 19 1HB ASN 5 2HB ASN 5 5.536 -2.405 5.212 20 2HB ASN 5 1HB ASN 5 6.481 -3.863 4.929 21 1HD2 ASN 5 1HD2 ASN 5 6.322 -1.089 6.675 22 2HD2 ASN 5 2HD2 ASN 5 7.980 -0.942 7.131 23 HA PRO 6 HA PRO 6 4.715 -4.461 0.097 24 1HB PRO 6 2HB PRO 6 5.831 -7.003 1.192 25 2HB PRO 6 1HB PRO 6 5.646 -6.486 -0.487 26 1HG PRO 6 2HG PRO 6 8.028 -6.420 0.689 27 2HG PRO 6 1HG PRO 6 7.524 -5.125 -0.412 28 1HD PRO 6 2HD PRO 6 7.698 -5.125 2.564 29 2HD PRO 6 1HD PRO 6 7.997 -3.806 1.414 30 H VAL 7 H VAL 7 4.954 -5.985 3.313 31 HA VAL 7 HA VAL 7 2.460 -7.306 3.193 32 HB VAL 7 HB VAL 7 3.710 -6.333 5.751 33 1HG1 VAL 7 1HG1 VAL 7 2.699 -8.259 6.733 34 2HG1 VAL 7 2HG1 VAL 7 2.240 -8.893 5.153 35 3HG1 VAL 7 3HG1 VAL 7 1.471 -7.432 5.774 36 1HG2 VAL 7 1HG2 VAL 7 5.354 -7.473 4.107 37 2HG2 VAL 7 2HG2 VAL 7 4.472 -8.950 4.495 38 3HG2 VAL 7 3HG2 VAL 7 5.289 -8.047 5.772 39 H CYS 8 H CYS 8 3.446 -4.367 4.895 40 HA CYS 8 HA CYS 8 0.901 -3.632 5.799 41 1HB CYS 8 2HB CYS 8 3.107 -2.751 6.616 42 2HB CYS 8 1HB CYS 8 3.179 -1.755 5.169 43 H HIS 9 H HIS 9 2.599 -2.879 2.805 44 HA HIS 9 HA HIS 9 0.873 -0.897 1.838 45 1HB HIS 9 2HB HIS 9 3.173 -1.695 0.936 46 2HB HIS 9 1HB HIS 9 2.230 -2.863 0.017 47 HD1 HIS 9 1HD HIS 9 3.109 -1.609 -2.155 48 HD2 HIS 9 2HD HIS 9 0.653 0.639 0.325 49 HE1 HIS 9 1HE HIS 9 2.387 0.368 -3.532 50 HE2 HIS 9 2HE HIS 9 0.732 1.597 -2.075 51 H LEU 10 H LEU 10 0.841 -4.417 1.225 52 HA LEU 10 HA LEU 10 -1.571 -4.232 -0.329 53 1HB LEU 10 2HB LEU 10 0.186 -6.466 0.584 54 2HB LEU 10 1HB LEU 10 -1.422 -6.834 -0.007 55 HG LEU 10 HG LEU 10 -0.852 -5.697 -2.148 56 1HD1 LEU 10 1HD1 LEU 10 2.002 -5.836 -1.884 57 2HD1 LEU 10 2HD1 LEU 10 1.329 -4.717 -0.698 58 3HD1 LEU 10 3HD1 LEU 10 0.989 -4.494 -2.414 59 1HD2 LEU 10 1HD2 LEU 10 0.428 -8.143 -1.118 60 2HD2 LEU 10 2HD2 LEU 10 1.075 -7.502 -2.628 61 3HD2 LEU 10 3HD2 LEU 10 -0.635 -7.912 -2.505 62 H GLU 11 H GLU 11 -0.779 -5.613 2.847 63 HA GLU 11 HA GLU 11 -3.313 -6.535 3.541 64 1HB GLU 11 2HB GLU 11 -1.226 -7.076 4.748 65 2HB GLU 11 1HB GLU 11 -1.160 -5.430 5.358 66 1HG GLU 11 2HG GLU 11 -2.002 -6.708 7.118 67 2HG GLU 11 1HG GLU 11 -3.405 -5.891 6.434 68 H HIS 12 H HIS 12 -2.042 -3.289 3.538 69 HA HIS 12 HA HIS 12 -4.635 -2.361 4.568 70 1HB HIS 12 2HB HIS 12 -2.035 -0.993 5.245 71 2HB HIS 12 1HB HIS 12 -3.621 -0.702 5.939 72 HD1 HIS 12 1HD HIS 12 -4.614 -2.888 7.304 73 HD2 HIS 12 2HD HIS 12 -0.494 -2.712 6.732 74 HE1 HIS 12 1HE HIS 12 -3.629 -4.444 9.010 75 HE2 HIS 12 2HE HIS 12 -1.168 -4.480 8.491 76 H SER 13 H SER 13 -4.115 -2.568 1.870 77 HA SER 13 HA SER 13 -2.994 -0.290 0.663 78 1HB SER 13 2HB SER 13 -5.222 -2.074 -0.351 79 2HB SER 13 1HB SER 13 -4.295 -0.941 -1.334 80 HG SER 13 HG SER 13 -2.536 -2.419 -0.066 81 H ASN 14 H ASN 14 -6.029 -0.804 2.212 82 HA ASN 14 HA ASN 14 -7.538 1.267 1.062 83 1HB ASN 14 2HB ASN 14 -9.028 1.026 2.956 84 2HB ASN 14 1HB ASN 14 -8.496 -0.567 2.431 85 1HD2 ASN 14 1HD2 ASN 14 -9.210 1.104 5.060 86 2HD2 ASN 14 2HD2 ASN 14 -8.140 0.387 6.210 87 H LEU 15 H LEU 15 -5.154 1.276 3.659 88 HA LEU 15 HA LEU 15 -5.669 4.155 4.043 89 1HB LEU 15 2HB LEU 15 -4.192 2.200 5.811 90 2HB LEU 15 1HB LEU 15 -4.396 3.908 6.149 91 HG LEU 15 HG LEU 15 -6.651 1.909 5.943 92 1HD1 LEU 15 1HD1 LEU 15 -4.826 2.478 8.071 93 2HD1 LEU 15 2HD1 LEU 15 -6.167 1.333 8.027 94 3HD1 LEU 15 3HD1 LEU 15 -6.448 3.001 8.525 95 1HD2 LEU 15 1HD2 LEU 15 -6.956 4.555 7.239 96 2HD2 LEU 15 2HD2 LEU 15 -8.118 3.600 6.319 97 3HD2 LEU 15 3HD2 LEU 15 -6.876 4.526 5.479 98 H CYS 16 H CYS 16 -3.139 1.768 3.582 99 HA CYS 16 HA CYS 16 -1.166 3.835 3.084 100 1HB CYS 16 2HB CYS 16 -1.094 0.956 3.760 101 2HB CYS 16 1HB CYS 16 0.215 1.560 2.748 102 H GLY 17 H GLY 17 -3.015 3.943 1.132 103 1HA GLY 17 2HA GLY 17 -2.621 2.294 -1.107 104 2HA GLY 17 1HA GLY 17 -3.202 3.954 -1.171 105 H GLY 18 H GLY 18 -1.127 5.418 -0.318 106 1HA GLY 18 2HA GLY 18 0.695 5.302 -2.542 107 2HA GLY 18 1HA GLY 18 0.707 6.485 -1.241 108 H ALA 19 H ALA 19 2.829 4.735 -2.554 109 HA ALA 19 HA ALA 19 3.737 2.814 -0.731 110 1HB ALA 19 1HB ALA 19 5.707 2.727 -1.975 111 2HB ALA 19 2HB ALA 19 5.597 4.426 -2.438 112 3HB ALA 19 3HB ALA 19 4.489 3.247 -3.142 113 H ALA 20 H ALA 20 4.325 6.260 -0.910 114 HA ALA 20 HA ALA 20 5.989 6.126 1.499 115 1HB ALA 20 1HB ALA 20 7.215 7.700 0.526 116 2HB ALA 20 2HB ALA 20 5.820 8.777 0.487 117 3HB ALA 20 3HB ALA 20 6.131 7.688 -0.864 118 H GLY 21 H GLY 21 3.148 5.719 1.557 119 1HA GLY 21 2HA GLY 21 1.689 7.989 2.319 120 2HA GLY 21 1HA GLY 21 1.308 6.338 2.780 121 H GLY 22 H GLY 22 3.502 5.694 4.358 122 1HA GLY 22 2HA GLY 22 4.077 7.709 6.281 123 2HA GLY 22 1HA GLY 22 2.769 6.677 6.837 Start of MODEL 19 1 1H GLY 1 H GLY 1 4.522 5.234 5.986 2 1HA GLY 1 2HA GLY 1 7.144 4.887 5.751 3 2HA GLY 1 1HA GLY 1 6.967 4.745 7.491 4 H CYS 2 H CYS 2 4.503 3.419 7.539 5 HA CYS 2 HA CYS 2 5.289 0.749 7.406 6 1HB CYS 2 2HB CYS 2 3.363 1.811 8.715 7 2HB CYS 2 1HB CYS 2 2.422 1.668 7.239 8 H CYS 3 H CYS 3 3.514 2.702 5.078 9 HA CYS 3 HA CYS 3 2.686 0.695 3.336 10 1HB CYS 3 2HB CYS 3 3.458 3.496 2.540 11 2HB CYS 3 1HB CYS 3 2.325 2.429 1.724 12 H SER 4 H SER 4 5.861 1.877 3.877 13 HA SER 4 HA SER 4 6.979 1.369 1.321 14 1HB SER 4 2HB SER 4 8.448 1.203 3.956 15 2HB SER 4 1HB SER 4 9.100 1.641 2.375 16 HG SER 4 HG SER 4 7.910 3.200 4.241 17 H ASN 5 H ASN 5 6.065 -0.617 3.991 18 HA ASN 5 HA ASN 5 7.627 -2.899 3.102 19 1HB ASN 5 2HB ASN 5 5.522 -2.709 5.277 20 2HB ASN 5 1HB ASN 5 6.590 -4.078 4.993 21 1HD2 ASN 5 1HD2 ASN 5 8.281 -4.174 6.278 22 2HD2 ASN 5 2HD2 ASN 5 9.048 -2.839 7.055 23 HA PRO 6 HA PRO 6 4.659 -4.186 0.068 24 1HB PRO 6 2HB PRO 6 5.711 -6.867 0.851 25 2HB PRO 6 1HB PRO 6 5.514 -6.159 -0.758 26 1HG PRO 6 2HG PRO 6 7.918 -6.297 0.363 27 2HG PRO 6 1HG PRO 6 7.436 -4.868 -0.570 28 1HD PRO 6 2HD PRO 6 7.657 -5.221 2.383 29 2HD PRO 6 1HD PRO 6 7.990 -3.791 1.387 30 H VAL 7 H VAL 7 4.911 -6.000 3.118 31 HA VAL 7 HA VAL 7 2.410 -7.286 2.934 32 HB VAL 7 HB VAL 7 3.728 -6.484 5.524 33 1HG1 VAL 7 1HG1 VAL 7 2.463 -9.124 5.180 34 2HG1 VAL 7 2HG1 VAL 7 1.377 -7.734 5.126 35 3HG1 VAL 7 3HG1 VAL 7 2.404 -7.998 6.536 36 1HG2 VAL 7 1HG2 VAL 7 4.801 -8.832 5.300 37 2HG2 VAL 7 2HG2 VAL 7 5.535 -7.476 4.445 38 3HG2 VAL 7 3HG2 VAL 7 4.515 -8.621 3.572 39 H CYS 8 H CYS 8 3.420 -4.469 4.823 40 HA CYS 8 HA CYS 8 0.884 -3.777 5.774 41 1HB CYS 8 2HB CYS 8 3.030 -2.940 6.701 42 2HB CYS 8 1HB CYS 8 3.220 -1.924 5.277 43 H HIS 9 H HIS 9 2.600 -2.796 2.849 44 HA HIS 9 HA HIS 9 0.864 -0.762 2.026 45 1HB HIS 9 2HB HIS 9 3.158 -1.451 1.063 46 2HB HIS 9 1HB HIS 9 2.245 -2.600 0.087 47 HD1 HIS 9 1HD HIS 9 3.016 -1.252 -2.048 48 HD2 HIS 9 2HD HIS 9 0.634 0.879 0.604 49 HE1 HIS 9 1HE HIS 9 2.238 0.774 -3.319 50 HE2 HIS 9 2HE HIS 9 0.610 1.914 -1.764 51 H LEU 10 H LEU 10 0.831 -4.233 1.226 52 HA LEU 10 HA LEU 10 -1.567 -3.966 -0.338 53 1HB LEU 10 2HB LEU 10 0.204 -6.233 0.443 54 2HB LEU 10 1HB LEU 10 -1.411 -6.589 -0.134 55 HG LEU 10 HG LEU 10 0.146 -6.768 -1.963 56 1HD1 LEU 10 1HD1 LEU 10 -1.373 -5.934 -3.340 57 2HD1 LEU 10 2HD1 LEU 10 -0.912 -4.283 -2.926 58 3HD1 LEU 10 3HD1 LEU 10 -2.121 -5.130 -1.960 59 1HD2 LEU 10 1HD2 LEU 10 0.846 -3.866 -1.718 60 2HD2 LEU 10 2HD2 LEU 10 1.655 -5.131 -2.641 61 3HD2 LEU 10 3HD2 LEU 10 1.782 -5.105 -0.883 62 H GLU 11 H GLU 11 -0.792 -5.446 2.805 63 HA GLU 11 HA GLU 11 -3.333 -6.430 3.415 64 1HB GLU 11 2HB GLU 11 -1.328 -7.009 4.691 65 2HB GLU 11 1HB GLU 11 -1.205 -5.357 5.279 66 1HG GLU 11 2HG GLU 11 -3.603 -5.817 6.200 67 2HG GLU 11 1HG GLU 11 -3.116 -7.505 6.047 68 H HIS 12 H HIS 12 -1.898 -3.262 4.066 69 HA HIS 12 HA HIS 12 -4.542 -2.305 4.941 70 1HB HIS 12 2HB HIS 12 -1.900 -0.887 5.313 71 2HB HIS 12 1HB HIS 12 -3.428 -0.524 6.093 72 HD1 HIS 12 1HD HIS 12 -4.259 -2.285 7.912 73 HD2 HIS 12 2HD HIS 12 -0.343 -2.778 6.614 74 HE1 HIS 12 1HE HIS 12 -3.185 -3.812 9.585 75 HE2 HIS 12 2HE HIS 12 -0.953 -4.361 8.560 76 H SER 13 H SER 13 -4.153 -2.727 2.242 77 HA SER 13 HA SER 13 -3.173 -0.602 0.742 78 1HB SER 13 2HB SER 13 -3.878 -2.821 -0.170 79 2HB SER 13 1HB SER 13 -5.559 -2.329 0.040 80 HG SER 13 HG SER 13 -4.723 -0.397 -1.292 81 H ASN 14 H ASN 14 -6.166 -0.938 2.482 82 HA ASN 14 HA ASN 14 -7.668 1.101 1.289 83 1HB ASN 14 2HB ASN 14 -7.704 0.234 4.192 84 2HB ASN 14 1HB ASN 14 -8.969 1.139 3.368 85 1HD2 ASN 14 1HD2 ASN 14 -10.628 -0.030 2.747 86 2HD2 ASN 14 2HD2 ASN 14 -10.598 -1.708 2.341 87 H LEU 15 H LEU 15 -5.221 1.193 3.841 88 HA LEU 15 HA LEU 15 -5.591 4.071 4.152 89 1HB LEU 15 2HB LEU 15 -3.746 2.127 5.547 90 2HB LEU 15 1HB LEU 15 -3.790 3.846 5.878 91 HG LEU 15 HG LEU 15 -6.274 3.471 6.461 92 1HD1 LEU 15 1HD1 LEU 15 -7.083 1.425 6.194 93 2HD1 LEU 15 2HD1 LEU 15 -6.009 0.882 7.484 94 3HD1 LEU 15 3HD1 LEU 15 -5.485 0.792 5.801 95 1HD2 LEU 15 1HD2 LEU 15 -4.227 3.838 7.994 96 2HD2 LEU 15 2HD2 LEU 15 -4.397 2.120 8.356 97 3HD2 LEU 15 3HD2 LEU 15 -5.725 3.229 8.697 98 H CYS 16 H CYS 16 -3.118 1.758 3.180 99 HA CYS 16 HA CYS 16 -1.284 3.813 2.346 100 1HB CYS 16 2HB CYS 16 -1.253 0.807 2.225 101 2HB CYS 16 1HB CYS 16 0.021 1.790 1.511 102 H GLY 17 H GLY 17 -3.777 3.959 0.977 103 1HA GLY 17 2HA GLY 17 -3.570 2.773 -1.614 104 2HA GLY 17 1HA GLY 17 -4.655 4.080 -1.154 105 H GLY 18 H GLY 18 -3.152 6.125 -0.499 106 1HA GLY 18 2HA GLY 18 -0.812 6.633 -1.923 107 2HA GLY 18 1HA GLY 18 -2.156 7.088 -2.960 108 H ALA 19 H ALA 19 -2.025 7.354 0.553 109 HA ALA 19 HA ALA 19 -1.432 10.154 0.553 110 1HB ALA 19 1HB ALA 19 -4.231 9.468 1.410 111 2HB ALA 19 2HB ALA 19 -3.859 9.996 -0.231 112 3HB ALA 19 3HB ALA 19 -3.522 11.060 1.134 113 H ALA 20 H ALA 20 -0.274 8.001 1.826 114 HA ALA 20 HA ALA 20 -0.453 8.826 4.573 115 1HB ALA 20 1HB ALA 20 -2.155 7.327 4.935 116 2HB ALA 20 2HB ALA 20 -0.753 6.300 5.238 117 3HB ALA 20 3HB ALA 20 -1.589 6.215 3.688 118 H GLY 21 H GLY 21 1.654 9.166 3.028 119 1HA GLY 21 2HA GLY 21 3.473 6.956 2.971 120 2HA GLY 21 1HA GLY 21 3.861 8.633 2.625 121 H GLY 22 H GLY 22 2.665 6.968 5.540 122 1HA GLY 22 2HA GLY 22 4.330 8.527 7.262 123 2HA GLY 22 1HA GLY 22 3.351 7.147 7.733 Start of MODEL 20 1 1H GLY 1 H GLY 1 5.709 5.499 6.032 2 1HA GLY 1 2HA GLY 1 7.155 3.822 6.687 3 2HA GLY 1 1HA GLY 1 6.245 3.669 8.178 4 H CYS 2 H CYS 2 3.811 2.958 7.413 5 HA CYS 2 HA CYS 2 3.909 0.227 6.983 6 1HB CYS 2 2HB CYS 2 1.964 1.382 7.906 7 2HB CYS 2 1HB CYS 2 1.665 2.159 6.362 8 H CYS 3 H CYS 3 3.305 2.791 4.655 9 HA CYS 3 HA CYS 3 2.763 1.250 2.407 10 1HB CYS 3 2HB CYS 3 4.186 3.907 2.374 11 2HB CYS 3 1HB CYS 3 3.139 3.230 1.130 12 H SER 4 H SER 4 5.828 2.004 3.891 13 HA SER 4 HA SER 4 7.463 1.409 1.644 14 1HB SER 4 2HB SER 4 8.223 2.764 3.589 15 2HB SER 4 1HB SER 4 8.191 1.309 4.582 16 HG SER 4 HG SER 4 9.600 0.712 2.450 17 H ASN 5 H ASN 5 5.948 -0.510 4.124 18 HA ASN 5 HA ASN 5 7.505 -2.870 3.437 19 1HB ASN 5 2HB ASN 5 5.292 -2.392 5.438 20 2HB ASN 5 1HB ASN 5 5.974 -3.983 5.131 21 1HD2 ASN 5 1HD2 ASN 5 8.439 -1.850 4.708 22 2HD2 ASN 5 2HD2 ASN 5 9.107 -1.875 6.299 23 HA PRO 6 HA PRO 6 4.754 -3.995 0.137 24 1HB PRO 6 2HB PRO 6 5.397 -6.701 0.195 25 2HB PRO 6 1HB PRO 6 6.259 -5.461 -0.719 26 1HG PRO 6 2HG PRO 6 6.917 -6.669 1.929 27 2HG PRO 6 1HG PRO 6 8.002 -6.185 0.613 28 1HD PRO 6 2HD PRO 6 7.724 -4.688 2.818 29 2HD PRO 6 1HD PRO 6 7.938 -3.946 1.218 30 H VAL 7 H VAL 7 4.932 -6.108 3.001 31 HA VAL 7 HA VAL 7 2.410 -7.322 2.656 32 HB VAL 7 HB VAL 7 3.677 -6.826 5.342 33 1HG1 VAL 7 1HG1 VAL 7 2.258 -8.356 6.129 34 2HG1 VAL 7 2HG1 VAL 7 2.524 -9.440 4.765 35 3HG1 VAL 7 3HG1 VAL 7 1.368 -8.116 4.626 36 1HG2 VAL 7 1HG2 VAL 7 4.503 -8.791 3.219 37 2HG2 VAL 7 2HG2 VAL 7 4.840 -9.061 4.929 38 3HG2 VAL 7 3HG2 VAL 7 5.509 -7.648 4.110 39 H CYS 8 H CYS 8 3.471 -4.651 4.713 40 HA CYS 8 HA CYS 8 0.987 -4.036 5.828 41 1HB CYS 8 2HB CYS 8 3.392 -3.215 6.431 42 2HB CYS 8 1HB CYS 8 3.039 -1.912 5.302 43 H HIS 9 H HIS 9 2.542 -2.857 2.868 44 HA HIS 9 HA HIS 9 0.653 -0.872 2.237 45 1HB HIS 9 2HB HIS 9 2.934 -1.228 1.171 46 2HB HIS 9 1HB HIS 9 2.182 -2.504 0.217 47 HD1 HIS 9 1HD HIS 9 -0.296 -1.364 -0.875 48 HD2 HIS 9 2HD HIS 9 3.093 0.987 -0.354 49 HE1 HIS 9 1HE HIS 9 -0.580 0.582 -2.439 50 HE2 HIS 9 2HE HIS 9 1.391 2.076 -1.973 51 H LEU 10 H LEU 10 0.835 -4.292 1.284 52 HA LEU 10 HA LEU 10 -1.536 -4.163 -0.308 53 1HB LEU 10 2HB LEU 10 0.297 -6.315 0.604 54 2HB LEU 10 1HB LEU 10 -1.311 -6.789 0.096 55 HG LEU 10 HG LEU 10 0.254 -7.014 -1.744 56 1HD1 LEU 10 1HD1 LEU 10 -2.066 -5.280 -1.809 57 2HD1 LEU 10 2HD1 LEU 10 -1.571 -6.554 -2.925 58 3HD1 LEU 10 3HD1 LEU 10 -0.927 -4.921 -3.107 59 1HD2 LEU 10 1HD2 LEU 10 1.736 -5.105 -0.836 60 2HD2 LEU 10 2HD2 LEU 10 0.685 -4.052 -1.784 61 3HD2 LEU 10 3HD2 LEU 10 1.608 -5.327 -2.581 62 H GLU 11 H GLU 11 -0.841 -5.526 2.900 63 HA GLU 11 HA GLU 11 -3.428 -6.452 3.466 64 1HB GLU 11 2HB GLU 11 -1.464 -7.138 4.742 65 2HB GLU 11 1HB GLU 11 -1.241 -5.498 5.327 66 1HG GLU 11 2HG GLU 11 -3.402 -5.660 6.504 67 2HG GLU 11 1HG GLU 11 -3.534 -7.337 5.970 68 H HIS 12 H HIS 12 -1.864 -3.354 4.115 69 HA HIS 12 HA HIS 12 -4.451 -2.268 4.999 70 1HB HIS 12 2HB HIS 12 -1.727 -1.003 5.347 71 2HB HIS 12 1HB HIS 12 -3.230 -0.530 6.125 72 HD1 HIS 12 1HD HIS 12 -4.120 -2.095 8.036 73 HD2 HIS 12 2HD HIS 12 -0.371 -3.123 6.570 74 HE1 HIS 12 1HE HIS 12 -3.198 -3.767 9.662 75 HE2 HIS 12 2HE HIS 12 -1.115 -4.623 8.534 76 H SER 13 H SER 13 -4.257 -2.716 2.364 77 HA SER 13 HA SER 13 -3.162 -0.749 0.734 78 1HB SER 13 2HB SER 13 -5.268 -1.479 -0.732 79 2HB SER 13 1HB SER 13 -3.892 -2.557 -0.479 80 HG SER 13 HG SER 13 -5.122 -3.846 0.634 81 H ASN 14 H ASN 14 -6.188 -0.830 2.490 82 HA ASN 14 HA ASN 14 -7.404 1.419 1.320 83 1HB ASN 14 2HB ASN 14 -7.744 0.169 4.050 84 2HB ASN 14 1HB ASN 14 -8.742 1.493 3.460 85 1HD2 ASN 14 1HD2 ASN 14 -8.680 -1.728 3.860 86 2HD2 ASN 14 2HD2 ASN 14 -9.755 -2.212 2.601 87 H LEU 15 H LEU 15 -4.973 1.101 3.825 88 HA LEU 15 HA LEU 15 -5.211 3.875 4.624 89 1HB LEU 15 2HB LEU 15 -3.147 1.791 5.342 90 2HB LEU 15 1HB LEU 15 -3.272 3.382 6.066 91 HG LEU 15 HG LEU 15 -5.347 1.196 6.265 92 1HD1 LEU 15 1HD1 LEU 15 -3.395 2.281 8.290 93 2HD1 LEU 15 2HD1 LEU 15 -3.366 0.676 7.557 94 3HD1 LEU 15 3HD1 LEU 15 -4.689 1.131 8.631 95 1HD2 LEU 15 1HD2 LEU 15 -6.650 3.052 6.503 96 2HD2 LEU 15 2HD2 LEU 15 -5.312 4.058 7.056 97 3HD2 LEU 15 3HD2 LEU 15 -6.062 2.905 8.159 98 H CYS 16 H CYS 16 -2.738 1.864 3.052 99 HA CYS 16 HA CYS 16 -1.310 4.247 2.198 100 1HB CYS 16 2HB CYS 16 -0.704 1.307 2.086 101 2HB CYS 16 1HB CYS 16 0.253 2.471 1.176 102 H GLY 17 H GLY 17 -3.799 4.131 1.060 103 1HA GLY 17 2HA GLY 17 -3.806 2.890 -1.504 104 2HA GLY 17 1HA GLY 17 -4.904 4.152 -0.962 105 H GLY 18 H GLY 18 -3.265 6.244 -0.462 106 1HA GLY 18 2HA GLY 18 -1.260 6.758 -2.354 107 2HA GLY 18 1HA GLY 18 -2.795 7.301 -3.020 108 H ALA 19 H ALA 19 -0.249 8.607 -1.884 109 HA ALA 19 HA ALA 19 0.333 10.514 -0.809 110 1HB ALA 19 1HB ALA 19 -2.586 11.047 -1.277 111 2HB ALA 19 2HB ALA 19 -1.196 11.677 -2.161 112 3HB ALA 19 3HB ALA 19 -1.522 12.229 -0.518 113 H ALA 20 H ALA 20 -0.035 8.304 0.812 114 HA ALA 20 HA ALA 20 -0.605 9.611 3.349 115 1HB ALA 20 1HB ALA 20 -2.462 7.837 2.157 116 2HB ALA 20 2HB ALA 20 -2.517 8.559 3.765 117 3HB ALA 20 3HB ALA 20 -1.732 6.998 3.527 118 H GLY 21 H GLY 21 1.856 9.096 2.454 119 1HA GLY 21 2HA GLY 21 2.848 6.509 3.114 120 2HA GLY 21 1HA GLY 21 3.813 7.952 2.845 121 H GLY 22 H GLY 22 3.261 5.669 5.038 122 1HA GLY 22 2HA GLY 22 4.199 7.355 7.210 123 2HA GLY 22 1HA GLY 22 2.642 6.583 7.468
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