NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20511 | 2fxz | 7011 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 97 HT1 LYS 97 -5.853 3.437 -8.891 2 2H LYS 97 HT2 LYS 97 -4.717 2.179 -9.161 3 3H LYS 97 HT3 LYS 97 -4.240 3.819 -9.330 4 HA LYS 97 HA LYS 97 -3.491 2.764 -7.282 5 1HB LYS 97 HB2 LYS 97 -4.113 4.680 -5.898 6 2HB LYS 97 HB1 LYS 97 -3.742 5.191 -7.540 7 1HG LYS 97 HG2 LYS 97 -6.512 4.605 -7.377 8 2HG LYS 97 HG1 LYS 97 -6.082 5.668 -6.037 9 1HD LYS 97 HD2 LYS 97 -4.958 6.370 -8.678 10 2HD LYS 97 HD1 LYS 97 -6.704 6.557 -8.501 11 1HE LYS 97 HE2 LYS 97 -6.506 8.283 -7.059 12 2HE LYS 97 HE1 LYS 97 -5.079 7.603 -6.279 13 1HZ LYS 97 HZ1 LYS 97 -3.690 8.445 -7.950 14 2HZ LYS 97 HZ2 LYS 97 -4.752 9.713 -7.597 15 3HZ LYS 97 HZ3 LYS 97 -4.980 8.783 -8.992 16 H MET 98 HN MET 98 -4.012 1.977 -5.209 17 HA MET 98 HA MET 98 -6.742 1.558 -4.427 18 1HB MET 98 HB2 MET 98 -5.087 -0.719 -5.488 19 2HB MET 98 HB1 MET 98 -6.365 -0.993 -4.312 20 1HG MET 98 HG2 MET 98 -7.722 0.461 -6.101 21 2HG MET 98 HG1 MET 98 -6.532 -0.281 -7.168 22 1HE MET 98 HE1 MET 98 -8.717 -1.113 -4.105 23 2HE MET 98 HE2 MET 98 -9.701 -2.467 -4.662 24 3HE MET 98 HE3 MET 98 -9.954 -0.857 -5.336 25 H VAL 99 HN VAL 99 -6.923 0.546 -2.317 26 HA VAL 99 HA VAL 99 -5.018 1.474 -0.489 27 HB VAL 99 HB VAL 99 -6.995 -0.747 0.029 28 1HG1 VAL 99 HG11 VAL 99 -5.080 0.091 1.678 29 2HG1 VAL 99 HG12 VAL 99 -6.675 -0.399 2.251 30 3HG1 VAL 99 HG13 VAL 99 -6.299 1.312 2.042 31 1HG2 VAL 99 HG21 VAL 99 -8.307 0.960 -0.910 32 2HG2 VAL 99 HG22 VAL 99 -7.383 2.229 -0.107 33 3HG2 VAL 99 HG23 VAL 99 -8.452 1.188 0.833 34 H ASN 100 HN ASN 100 -5.344 -1.597 -2.124 35 HA ASN 100 HA ASN 100 -3.690 -3.169 -0.501 36 1HB ASN 100 HB2 ASN 100 -5.180 -3.670 -2.690 37 2HB ASN 100 HB1 ASN 100 -3.573 -3.633 -3.431 38 1HD2 ASN 100 HD21 ASN 100 -5.384 -5.866 -3.124 39 2HD2 ASN 100 HD22 ASN 100 -4.530 -7.068 -2.195 40 H GLU 101 HN GLU 101 -2.946 -0.799 -2.956 41 HA GLU 101 HA GLU 101 -0.115 -1.494 -2.925 42 1HB GLU 101 HB2 GLU 101 -1.605 0.634 -4.473 43 2HB GLU 101 HB1 GLU 101 0.100 0.249 -4.662 44 1HG GLU 101 HG2 GLU 101 -1.781 -2.000 -4.963 45 2HG GLU 101 HG1 GLU 101 -1.835 -0.759 -6.214 46 H ALA 102 HN ALA 102 -2.309 0.903 -1.668 47 HA ALA 102 HA ALA 102 -0.231 2.737 -0.892 48 1HB ALA 102 HB1 ALA 102 -2.119 3.954 -1.203 49 2HB ALA 102 HB2 ALA 102 -2.318 3.616 0.516 50 3HB ALA 102 HB3 ALA 102 -3.180 2.647 -0.678 51 H LEU 103 HN LEU 103 -1.083 -0.208 0.277 52 HA LEU 103 HA LEU 103 -0.648 0.495 3.081 53 1HB LEU 103 HB2 LEU 103 -2.305 -1.349 1.846 54 2HB LEU 103 HB1 LEU 103 -0.998 -2.336 2.474 55 HG LEU 103 HG LEU 103 -1.400 -1.256 4.723 56 1HD1 LEU 103 HD11 LEU 103 -4.035 -0.426 3.541 57 2HD1 LEU 103 HD12 LEU 103 -2.671 0.681 3.697 58 3HD1 LEU 103 HD13 LEU 103 -3.380 -0.052 5.136 59 1HD2 LEU 103 HD21 LEU 103 -3.664 -2.535 4.977 60 2HD2 LEU 103 HD22 LEU 103 -2.180 -3.418 4.621 61 3HD2 LEU 103 HD23 LEU 103 -3.325 -3.060 3.328 62 H VAL 104 HN VAL 104 0.762 -1.233 0.389 63 HA VAL 104 HA VAL 104 2.896 -2.432 1.851 64 HB VAL 104 HB VAL 104 2.866 -1.774 -1.097 65 1HG1 VAL 104 HG11 VAL 104 4.431 -3.578 -1.320 66 2HG1 VAL 104 HG12 VAL 104 4.263 -3.996 0.386 67 3HG1 VAL 104 HG13 VAL 104 5.027 -2.475 -0.079 68 1HG2 VAL 104 HG21 VAL 104 1.730 -4.170 0.335 69 2HG2 VAL 104 HG22 VAL 104 1.962 -4.057 -1.410 70 3HG2 VAL 104 HG23 VAL 104 0.838 -2.968 -0.597 71 H ARG 105 HN ARG 105 2.356 0.650 0.314 72 HA ARG 105 HA ARG 105 5.004 1.528 0.096 73 1HB ARG 105 HB2 ARG 105 3.969 3.812 0.123 74 2HB ARG 105 HB1 ARG 105 3.273 2.708 -1.052 75 1HG ARG 105 HG2 ARG 105 1.326 3.419 -0.228 76 2HG ARG 105 HG1 ARG 105 1.653 2.282 1.082 77 1HD ARG 105 HD2 ARG 105 0.997 4.505 1.900 78 2HD ARG 105 HD1 ARG 105 2.622 4.052 2.414 79 HE ARG 105 HE ARG 105 2.878 5.503 0.059 80 1HH1 ARG 105 HH11 ARG 105 1.753 6.029 3.321 81 2HH1 ARG 105 HH12 ARG 105 2.165 7.711 3.325 82 1HH2 ARG 105 HH21 ARG 105 3.420 7.715 0.063 83 2HH2 ARG 105 HH22 ARG 105 3.111 8.669 1.475 84 H GLN 106 HN GLN 106 2.819 1.362 2.807 85 HA GLN 106 HA GLN 106 4.851 2.667 4.502 86 1HB GLN 106 HB2 GLN 106 2.648 3.833 4.373 87 2HB GLN 106 HB1 GLN 106 1.896 2.414 5.067 88 1HG GLN 106 HG2 GLN 106 3.443 2.700 7.030 89 2HG GLN 106 HG1 GLN 106 3.876 4.268 6.349 90 1HE2 GLN 106 HE21 GLN 106 2.337 3.258 8.800 91 2HE2 GLN 106 HE22 GLN 106 0.913 4.237 8.809 92 H GLY 107 HN GLY 107 2.097 0.469 4.949 93 1HA GLY 107 HA2 GLY 107 2.937 -0.769 7.221 94 2HA GLY 107 HA1 GLY 107 1.942 -1.560 6.010 95 H LEU 108 HN LEU 108 3.626 -1.889 3.910 96 HA LEU 108 HA LEU 108 5.331 -4.001 4.870 97 1HB LEU 108 HB2 LEU 108 4.034 -4.328 2.848 98 2HB LEU 108 HB1 LEU 108 4.810 -2.951 2.090 99 HG LEU 108 HG LEU 108 6.687 -5.018 2.993 100 1HD1 LEU 108 HD11 LEU 108 5.926 -6.187 0.666 101 2HD1 LEU 108 HD12 LEU 108 4.365 -5.733 1.351 102 3HD1 LEU 108 HD13 LEU 108 5.468 -6.756 2.272 103 1HD2 LEU 108 HD21 LEU 108 6.819 -2.889 1.358 104 2HD2 LEU 108 HD22 LEU 108 6.502 -4.161 0.178 105 3HD2 LEU 108 HD23 LEU 108 7.903 -4.275 1.243 106 H ALA 109 HN ALA 109 5.723 -0.741 3.691 107 HA ALA 109 HA ALA 109 8.438 -0.791 3.020 108 1HB ALA 109 HB1 ALA 109 7.149 1.094 2.382 109 2HB ALA 109 HB2 ALA 109 8.356 1.675 3.529 110 3HB ALA 109 HB3 ALA 109 6.689 1.431 4.050 Start of MODEL 2 1 1H LYS 97 HT1 LYS 97 -3.029 4.944 -7.334 2 2H LYS 97 HT2 LYS 97 -4.297 4.811 -6.184 3 3H LYS 97 HT3 LYS 97 -4.622 4.580 -7.853 4 HA LYS 97 HA LYS 97 -3.717 2.554 -7.916 5 1HB LYS 97 HB2 LYS 97 -2.085 1.812 -6.104 6 2HB LYS 97 HB1 LYS 97 -1.518 3.051 -7.216 7 1HG LYS 97 HG2 LYS 97 -2.720 4.414 -5.091 8 2HG LYS 97 HG1 LYS 97 -1.749 3.134 -4.362 9 1HD LYS 97 HD2 LYS 97 -0.454 4.611 -6.557 10 2HD LYS 97 HD1 LYS 97 -0.778 5.554 -5.101 11 1HE LYS 97 HE2 LYS 97 0.714 4.392 -3.853 12 2HE LYS 97 HE1 LYS 97 0.399 2.875 -4.695 13 1HZ LYS 97 HZ1 LYS 97 1.852 3.428 -6.398 14 2HZ LYS 97 HZ2 LYS 97 2.657 3.993 -5.023 15 3HZ LYS 97 HZ3 LYS 97 1.840 5.079 -6.029 16 H MET 98 HN MET 98 -3.990 0.538 -6.544 17 HA MET 98 HA MET 98 -6.533 0.587 -5.327 18 1HB MET 98 HB2 MET 98 -4.424 -1.430 -5.807 19 2HB MET 98 HB1 MET 98 -5.523 -1.777 -4.478 20 1HG MET 98 HG2 MET 98 -6.888 -0.895 -6.893 21 2HG MET 98 HG1 MET 98 -5.945 -2.366 -7.121 22 1HE MET 98 HE1 MET 98 -8.984 -1.522 -3.944 23 2HE MET 98 HE2 MET 98 -9.756 -1.423 -5.527 24 3HE MET 98 HE3 MET 98 -8.339 -0.434 -5.174 25 H VAL 99 HN VAL 99 -7.090 0.017 -3.136 26 HA VAL 99 HA VAL 99 -5.803 1.585 -1.208 27 HB VAL 99 HB VAL 99 -7.576 -0.787 -0.627 28 1HG1 VAL 99 HG11 VAL 99 -6.398 0.228 1.295 29 2HG1 VAL 99 HG12 VAL 99 -8.150 0.403 1.391 30 3HG1 VAL 99 HG13 VAL 99 -7.152 1.774 0.906 31 1HG2 VAL 99 HG21 VAL 99 -9.255 1.311 -0.528 32 2HG2 VAL 99 HG22 VAL 99 -9.035 0.308 -1.962 33 3HG2 VAL 99 HG23 VAL 99 -8.180 1.843 -1.820 34 H ASN 100 HN ASN 100 -5.392 -1.773 -2.107 35 HA ASN 100 HA ASN 100 -3.873 -2.538 0.174 36 1HB ASN 100 HB2 ASN 100 -5.081 -3.932 -1.791 37 2HB ASN 100 HB1 ASN 100 -3.417 -3.954 -2.394 38 1HD2 ASN 100 HD21 ASN 100 -4.442 -6.307 -1.829 39 2HD2 ASN 100 HD22 ASN 100 -3.812 -6.947 -0.335 40 H GLU 101 HN GLU 101 -3.095 -1.123 -2.931 41 HA GLU 101 HA GLU 101 -0.295 -1.564 -2.827 42 1HB GLU 101 HB2 GLU 101 -2.135 0.136 -4.436 43 2HB GLU 101 HB1 GLU 101 -0.431 0.571 -4.422 44 1HG GLU 101 HG2 GLU 101 0.200 -1.283 -5.573 45 2HG GLU 101 HG1 GLU 101 -1.120 -2.264 -4.939 46 H ALA 102 HN ALA 102 -2.406 0.897 -1.525 47 HA ALA 102 HA ALA 102 -0.254 2.688 -0.848 48 1HB ALA 102 HB1 ALA 102 -1.852 4.201 -0.369 49 2HB ALA 102 HB2 ALA 102 -2.844 3.032 0.504 50 3HB ALA 102 HB3 ALA 102 -2.889 3.085 -1.258 51 H LEU 103 HN LEU 103 -1.167 -0.202 0.406 52 HA LEU 103 HA LEU 103 -0.648 0.547 3.184 53 1HB LEU 103 HB2 LEU 103 -2.388 -1.271 2.026 54 2HB LEU 103 HB1 LEU 103 -1.097 -2.284 2.645 55 HG LEU 103 HG LEU 103 -1.412 -1.213 4.884 56 1HD1 LEU 103 HD11 LEU 103 -3.499 0.239 3.346 57 2HD1 LEU 103 HD12 LEU 103 -2.438 0.809 4.634 58 3HD1 LEU 103 HD13 LEU 103 -3.838 -0.190 5.023 59 1HD2 LEU 103 HD21 LEU 103 -3.734 -2.661 3.625 60 2HD2 LEU 103 HD22 LEU 103 -3.569 -2.382 5.358 61 3HD2 LEU 103 HD23 LEU 103 -2.377 -3.364 4.505 62 H VAL 104 HN VAL 104 0.648 -1.276 0.498 63 HA VAL 104 HA VAL 104 2.777 -2.512 1.936 64 HB VAL 104 HB VAL 104 2.693 -1.912 -1.023 65 1HG1 VAL 104 HG11 VAL 104 4.070 -4.142 0.466 66 2HG1 VAL 104 HG12 VAL 104 4.860 -2.650 -0.044 67 3HG1 VAL 104 HG13 VAL 104 4.205 -3.759 -1.250 68 1HG2 VAL 104 HG21 VAL 104 0.648 -3.042 -0.436 69 2HG2 VAL 104 HG22 VAL 104 1.540 -4.254 0.482 70 3HG2 VAL 104 HG23 VAL 104 1.716 -4.169 -1.270 71 H ARG 105 HN ARG 105 2.296 0.558 0.361 72 HA ARG 105 HA ARG 105 4.965 1.345 0.062 73 1HB ARG 105 HB2 ARG 105 4.005 3.661 0.066 74 2HB ARG 105 HB1 ARG 105 3.245 2.558 -1.069 75 1HG ARG 105 HG2 ARG 105 1.337 3.326 -0.215 76 2HG ARG 105 HG1 ARG 105 1.675 2.233 1.129 77 1HD ARG 105 HD2 ARG 105 1.089 4.534 1.837 78 2HD ARG 105 HD1 ARG 105 2.680 4.010 2.389 79 HE ARG 105 HE ARG 105 2.974 5.371 -0.043 80 1HH1 ARG 105 HH11 ARG 105 2.104 6.009 3.275 81 2HH1 ARG 105 HH12 ARG 105 2.670 7.645 3.240 82 1HH2 ARG 105 HH21 ARG 105 3.719 7.522 -0.091 83 2HH2 ARG 105 HH22 ARG 105 3.587 8.505 1.329 84 H GLN 106 HN GLN 106 2.789 1.413 2.804 85 HA GLN 106 HA GLN 106 4.887 2.691 4.430 86 1HB GLN 106 HB2 GLN 106 2.651 3.808 4.352 87 2HB GLN 106 HB1 GLN 106 1.958 2.385 5.099 88 1HG GLN 106 HG2 GLN 106 3.520 2.734 7.014 89 2HG GLN 106 HG1 GLN 106 3.973 4.273 6.280 90 1HE2 GLN 106 HE21 GLN 106 2.094 5.725 5.764 91 2HE2 GLN 106 HE22 GLN 106 0.834 5.822 6.942 92 H GLY 107 HN GLY 107 2.192 0.445 4.992 93 1HA GLY 107 HA2 GLY 107 3.123 -0.746 7.252 94 2HA GLY 107 HA1 GLY 107 2.115 -1.575 6.077 95 H LEU 108 HN LEU 108 3.661 -2.006 3.958 96 HA LEU 108 HA LEU 108 5.570 -3.937 4.957 97 1HB LEU 108 HB2 LEU 108 4.025 -4.509 3.131 98 2HB LEU 108 HB1 LEU 108 4.755 -3.269 2.128 99 HG LEU 108 HG LEU 108 6.549 -5.375 3.217 100 1HD1 LEU 108 HD11 LEU 108 5.825 -6.539 0.904 101 2HD1 LEU 108 HD12 LEU 108 4.270 -5.884 1.419 102 3HD1 LEU 108 HD13 LEU 108 5.156 -6.984 2.475 103 1HD2 LEU 108 HD21 LEU 108 7.482 -5.111 0.887 104 2HD2 LEU 108 HD22 LEU 108 7.578 -3.684 1.920 105 3HD2 LEU 108 HD23 LEU 108 6.338 -3.786 0.671 106 H ALA 109 HN ALA 109 5.598 -0.839 3.347 107 HA ALA 109 HA ALA 109 8.536 -0.958 3.190 108 1HB ALA 109 HB1 ALA 109 7.828 -0.506 1.034 109 2HB ALA 109 HB2 ALA 109 8.147 1.107 1.670 110 3HB ALA 109 HB3 ALA 109 6.491 0.509 1.575 Start of MODEL 3 1 1H LYS 97 HT1 LYS 97 -5.973 4.272 -6.892 2 2H LYS 97 HT2 LYS 97 -6.856 4.160 -8.360 3 3H LYS 97 HT3 LYS 97 -5.347 4.977 -8.323 4 HA LYS 97 HA LYS 97 -5.372 2.703 -9.292 5 1HB LYS 97 HB2 LYS 97 -3.355 3.914 -8.619 6 2HB LYS 97 HB1 LYS 97 -3.569 3.375 -6.960 7 1HG LYS 97 HG2 LYS 97 -3.522 0.998 -8.204 8 2HG LYS 97 HG1 LYS 97 -2.508 1.937 -9.301 9 1HD LYS 97 HD2 LYS 97 -2.075 1.915 -6.325 10 2HD LYS 97 HD1 LYS 97 -1.328 0.730 -7.398 11 1HE LYS 97 HE2 LYS 97 0.337 2.241 -7.498 12 2HE LYS 97 HE1 LYS 97 -0.707 3.021 -8.685 13 1HZ LYS 97 HZ1 LYS 97 -1.656 4.317 -6.788 14 2HZ LYS 97 HZ2 LYS 97 -0.040 4.667 -7.145 15 3HZ LYS 97 HZ3 LYS 97 -0.420 3.697 -5.813 16 H MET 98 HN MET 98 -4.879 2.523 -5.786 17 HA MET 98 HA MET 98 -6.946 0.625 -5.346 18 1HB MET 98 HB2 MET 98 -4.196 -0.362 -5.909 19 2HB MET 98 HB1 MET 98 -5.087 -1.142 -4.610 20 1HG MET 98 HG2 MET 98 -6.963 -1.144 -6.539 21 2HG MET 98 HG1 MET 98 -5.501 -1.239 -7.519 22 1HE MET 98 HE1 MET 98 -7.830 -3.681 -5.048 23 2HE MET 98 HE2 MET 98 -6.961 -2.348 -4.289 24 3HE MET 98 HE3 MET 98 -6.420 -4.009 -4.041 25 H VAL 99 HN VAL 99 -6.385 -0.579 -3.112 26 HA VAL 99 HA VAL 99 -5.517 1.569 -1.298 27 HB VAL 99 HB VAL 99 -7.235 -0.811 -0.598 28 1HG1 VAL 99 HG11 VAL 99 -7.263 1.728 0.930 29 2HG1 VAL 99 HG12 VAL 99 -5.848 0.690 1.103 30 3HG1 VAL 99 HG13 VAL 99 -7.452 0.066 1.488 31 1HG2 VAL 99 HG21 VAL 99 -8.262 0.707 -2.315 32 2HG2 VAL 99 HG22 VAL 99 -8.183 2.000 -1.118 33 3HG2 VAL 99 HG23 VAL 99 -9.165 0.568 -0.806 34 H ASN 100 HN ASN 100 -5.088 -1.804 -2.126 35 HA ASN 100 HA ASN 100 -3.533 -2.552 0.113 36 1HB ASN 100 HB2 ASN 100 -4.678 -4.044 -1.670 37 2HB ASN 100 HB1 ASN 100 -3.204 -3.783 -2.614 38 1HD2 ASN 100 HD21 ASN 100 -3.208 -6.180 -2.357 39 2HD2 ASN 100 HD22 ASN 100 -2.386 -6.831 -0.964 40 H GLU 101 HN GLU 101 -2.763 -1.015 -2.936 41 HA GLU 101 HA GLU 101 0.046 -1.356 -2.818 42 1HB GLU 101 HB2 GLU 101 -1.592 0.767 -4.216 43 2HB GLU 101 HB1 GLU 101 0.117 0.462 -4.494 44 1HG GLU 101 HG2 GLU 101 -1.662 -1.863 -4.790 45 2HG GLU 101 HG1 GLU 101 -1.861 -0.579 -5.983 46 H ALA 102 HN ALA 102 -2.155 0.971 -1.423 47 HA ALA 102 HA ALA 102 -0.069 2.798 -0.644 48 1HB ALA 102 HB1 ALA 102 -3.020 2.678 -0.296 49 2HB ALA 102 HB2 ALA 102 -2.011 3.966 -0.955 50 3HB ALA 102 HB3 ALA 102 -2.082 3.706 0.788 51 H LEU 103 HN LEU 103 -0.895 -0.175 0.467 52 HA LEU 103 HA LEU 103 -0.410 0.463 3.279 53 1HB LEU 103 HB2 LEU 103 -2.100 -1.345 2.039 54 2HB LEU 103 HB1 LEU 103 -0.783 -2.352 2.610 55 HG LEU 103 HG LEU 103 -1.132 -1.291 4.894 56 1HD1 LEU 103 HD11 LEU 103 -3.606 -0.306 3.492 57 2HD1 LEU 103 HD12 LEU 103 -2.383 0.650 4.330 58 3HD1 LEU 103 HD13 LEU 103 -3.453 -0.413 5.245 59 1HD2 LEU 103 HD21 LEU 103 -3.357 -2.941 3.702 60 2HD2 LEU 103 HD22 LEU 103 -3.020 -2.758 5.424 61 3HD2 LEU 103 HD23 LEU 103 -1.848 -3.558 4.376 62 H VAL 104 HN VAL 104 0.948 -1.199 0.522 63 HA VAL 104 HA VAL 104 3.106 -2.433 1.923 64 HB VAL 104 HB VAL 104 3.030 -1.725 -1.012 65 1HG1 VAL 104 HG11 VAL 104 4.295 -4.200 -0.012 66 2HG1 VAL 104 HG12 VAL 104 5.104 -2.685 0.390 67 3HG1 VAL 104 HG13 VAL 104 4.801 -3.103 -1.296 68 1HG2 VAL 104 HG21 VAL 104 0.999 -2.908 -0.513 69 2HG2 VAL 104 HG22 VAL 104 1.886 -4.131 0.397 70 3HG2 VAL 104 HG23 VAL 104 2.104 -4.000 -1.348 71 H ARG 105 HN ARG 105 2.538 0.677 0.461 72 HA ARG 105 HA ARG 105 5.181 1.558 0.199 73 1HB ARG 105 HB2 ARG 105 4.148 3.841 0.294 74 2HB ARG 105 HB1 ARG 105 3.429 2.760 -0.888 75 1HG ARG 105 HG2 ARG 105 1.503 3.473 -0.010 76 2HG ARG 105 HG1 ARG 105 1.842 2.286 1.252 77 1HD ARG 105 HD2 ARG 105 1.224 4.458 2.189 78 2HD ARG 105 HD1 ARG 105 2.876 4.013 2.615 79 HE ARG 105 HE ARG 105 3.089 5.537 0.339 80 1HH1 ARG 105 HH11 ARG 105 1.795 5.988 3.548 81 2HH1 ARG 105 HH12 ARG 105 2.110 7.690 3.572 82 1HH2 ARG 105 HH21 ARG 105 3.504 7.776 0.368 83 2HH2 ARG 105 HH22 ARG 105 3.080 8.706 1.766 84 H GLN 106 HN GLN 106 3.109 1.255 2.970 85 HA GLN 106 HA GLN 106 5.223 2.453 4.640 86 1HB GLN 106 HB2 GLN 106 3.221 3.896 4.548 87 2HB GLN 106 HB1 GLN 106 2.246 2.572 5.147 88 1HG GLN 106 HG2 GLN 106 3.997 2.613 7.105 89 2HG GLN 106 HG1 GLN 106 4.216 4.278 6.566 90 1HE2 GLN 106 HE21 GLN 106 2.558 5.748 6.822 91 2HE2 GLN 106 HE22 GLN 106 1.179 5.435 7.814 92 H GLY 107 HN GLY 107 2.229 0.608 5.128 93 1HA GLY 107 HA2 GLY 107 2.911 -0.709 7.397 94 2HA GLY 107 HA1 GLY 107 1.847 -1.395 6.181 95 H LEU 108 HN LEU 108 3.721 -1.725 4.100 96 HA LEU 108 HA LEU 108 5.209 -4.003 5.171 97 1HB LEU 108 HB2 LEU 108 3.601 -3.981 3.087 98 2HB LEU 108 HB1 LEU 108 5.026 -3.390 2.254 99 HG LEU 108 HG LEU 108 6.257 -5.397 2.837 100 1HD1 LEU 108 HD11 LEU 108 5.596 -6.154 4.887 101 2HD1 LEU 108 HD12 LEU 108 4.719 -7.278 3.850 102 3HD1 LEU 108 HD13 LEU 108 3.884 -5.894 4.556 103 1HD2 LEU 108 HD21 LEU 108 4.550 -7.094 1.777 104 2HD2 LEU 108 HD22 LEU 108 5.241 -5.783 0.823 105 3HD2 LEU 108 HD23 LEU 108 3.615 -5.627 1.487 106 H ALA 109 HN ALA 109 5.683 -0.922 3.599 107 HA ALA 109 HA ALA 109 8.377 -1.269 2.832 108 1HB ALA 109 HB1 ALA 109 7.087 1.344 3.586 109 2HB ALA 109 HB2 ALA 109 6.817 0.537 2.041 110 3HB ALA 109 HB3 ALA 109 8.437 1.079 2.482 Start of MODEL 4 1 1H LYS 97 HT1 LYS 97 -5.005 2.413 -9.562 2 2H LYS 97 HT2 LYS 97 -3.700 3.521 -9.692 3 3H LYS 97 HT3 LYS 97 -5.169 4.005 -8.947 4 HA LYS 97 HA LYS 97 -3.105 2.175 -7.969 5 1HB LYS 97 HB2 LYS 97 -3.806 4.878 -7.565 6 2HB LYS 97 HB1 LYS 97 -4.286 4.030 -6.102 7 1HG LYS 97 HG2 LYS 97 -2.103 3.335 -5.648 8 2HG LYS 97 HG1 LYS 97 -1.558 3.676 -7.291 9 1HD LYS 97 HD2 LYS 97 -0.748 5.564 -6.366 10 2HD LYS 97 HD1 LYS 97 -2.413 6.128 -6.525 11 1HE LYS 97 HE2 LYS 97 -1.546 6.567 -4.288 12 2HE LYS 97 HE1 LYS 97 -2.879 5.415 -4.238 13 1HZ LYS 97 HZ1 LYS 97 -0.802 4.922 -2.860 14 2HZ LYS 97 HZ2 LYS 97 -0.077 4.491 -4.325 15 3HZ LYS 97 HZ3 LYS 97 -1.449 3.662 -3.786 16 H MET 98 HN MET 98 -4.069 2.175 -5.338 17 HA MET 98 HA MET 98 -6.758 1.270 -5.175 18 1HB MET 98 HB2 MET 98 -4.595 -0.728 -5.601 19 2HB MET 98 HB1 MET 98 -5.837 -1.119 -4.419 20 1HG MET 98 HG2 MET 98 -7.438 -0.392 -6.385 21 2HG MET 98 HG1 MET 98 -6.038 -0.827 -7.364 22 1HE MET 98 HE1 MET 98 -7.098 -3.395 -4.007 23 2HE MET 98 HE2 MET 98 -8.704 -3.170 -4.701 24 3HE MET 98 HE3 MET 98 -7.737 -1.768 -4.243 25 H VAL 99 HN VAL 99 -6.878 -0.187 -2.990 26 HA VAL 99 HA VAL 99 -5.825 1.579 -0.951 27 HB VAL 99 HB VAL 99 -7.506 -0.897 -0.555 28 1HG1 VAL 99 HG11 VAL 99 -7.838 -0.219 1.603 29 2HG1 VAL 99 HG12 VAL 99 -7.581 1.484 1.225 30 3HG1 VAL 99 HG13 VAL 99 -6.203 0.390 1.345 31 1HG2 VAL 99 HG21 VAL 99 -8.215 1.797 -1.528 32 2HG2 VAL 99 HG22 VAL 99 -9.260 1.123 -0.278 33 3HG2 VAL 99 HG23 VAL 99 -9.015 0.247 -1.789 34 H ASN 100 HN ASN 100 -5.300 -1.679 -2.120 35 HA ASN 100 HA ASN 100 -3.743 -2.577 0.083 36 1HB ASN 100 HB2 ASN 100 -3.804 -3.560 -2.782 37 2HB ASN 100 HB1 ASN 100 -3.065 -4.415 -1.419 38 1HD2 ASN 100 HD21 ASN 100 -4.329 -5.519 -0.006 39 2HD2 ASN 100 HD22 ASN 100 -6.043 -5.749 -0.225 40 H GLU 101 HN GLU 101 -3.025 -0.863 -2.884 41 HA GLU 101 HA GLU 101 -0.211 -1.199 -2.818 42 1HB GLU 101 HB2 GLU 101 -2.024 0.791 -4.167 43 2HB GLU 101 HB1 GLU 101 -0.274 0.898 -4.301 44 1HG GLU 101 HG2 GLU 101 -0.630 -1.679 -4.967 45 2HG GLU 101 HG1 GLU 101 -2.159 -1.002 -5.526 46 H ALA 102 HN ALA 102 -2.409 1.041 -1.284 47 HA ALA 102 HA ALA 102 -0.326 2.844 -0.445 48 1HB ALA 102 HB1 ALA 102 -3.111 2.759 0.672 49 2HB ALA 102 HB2 ALA 102 -2.753 3.466 -0.903 50 3HB ALA 102 HB3 ALA 102 -2.015 4.135 0.552 51 H LEU 103 HN LEU 103 -1.114 -0.187 0.530 52 HA LEU 103 HA LEU 103 -0.602 0.314 3.365 53 1HB LEU 103 HB2 LEU 103 -2.282 -1.451 2.048 54 2HB LEU 103 HB1 LEU 103 -0.948 -2.468 2.559 55 HG LEU 103 HG LEU 103 -1.283 -1.619 4.892 56 1HD1 LEU 103 HD11 LEU 103 -2.659 0.396 3.842 57 2HD1 LEU 103 HD12 LEU 103 -2.950 -0.194 5.478 58 3HD1 LEU 103 HD13 LEU 103 -4.002 -0.702 4.157 59 1HD2 LEU 103 HD21 LEU 103 -2.142 -3.759 4.430 60 2HD2 LEU 103 HD22 LEU 103 -3.467 -3.109 3.465 61 3HD2 LEU 103 HD23 LEU 103 -3.460 -2.888 5.214 62 H VAL 104 HN VAL 104 0.738 -1.195 0.511 63 HA VAL 104 HA VAL 104 2.926 -2.478 1.812 64 HB VAL 104 HB VAL 104 2.807 -1.599 -1.075 65 1HG1 VAL 104 HG11 VAL 104 4.258 -3.906 0.215 66 2HG1 VAL 104 HG12 VAL 104 4.997 -2.360 -0.202 67 3HG1 VAL 104 HG13 VAL 104 4.354 -3.401 -1.472 68 1HG2 VAL 104 HG21 VAL 104 1.908 -3.870 -1.527 69 2HG2 VAL 104 HG22 VAL 104 0.797 -2.831 -0.635 70 3HG2 VAL 104 HG23 VAL 104 1.699 -4.088 0.211 71 H ARG 105 HN ARG 105 2.311 0.709 0.547 72 HA ARG 105 HA ARG 105 4.949 1.624 0.316 73 1HB ARG 105 HB2 ARG 105 3.900 3.889 0.530 74 2HB ARG 105 HB1 ARG 105 3.173 2.864 -0.696 75 1HG ARG 105 HG2 ARG 105 1.246 3.490 0.234 76 2HG ARG 105 HG1 ARG 105 1.629 2.281 1.462 77 1HD ARG 105 HD2 ARG 105 0.971 4.482 2.394 78 2HD ARG 105 HD1 ARG 105 2.579 3.957 2.890 79 HE ARG 105 HE ARG 105 3.440 5.795 1.852 80 1HH1 ARG 105 HH11 ARG 105 0.254 5.196 0.560 81 2HH1 ARG 105 HH12 ARG 105 0.233 6.641 -0.394 82 1HH2 ARG 105 HH21 ARG 105 3.414 7.696 0.598 83 2HH2 ARG 105 HH22 ARG 105 2.027 8.060 -0.373 84 H GLN 106 HN GLN 106 2.807 1.295 3.057 85 HA GLN 106 HA GLN 106 4.851 2.518 4.793 86 1HB GLN 106 HB2 GLN 106 2.573 3.550 4.823 87 2HB GLN 106 HB1 GLN 106 1.939 2.037 5.434 88 1HG GLN 106 HG2 GLN 106 3.498 2.267 7.371 89 2HG GLN 106 HG1 GLN 106 3.886 3.884 6.783 90 1HE2 GLN 106 HE21 GLN 106 2.155 5.432 6.655 91 2HE2 GLN 106 HE22 GLN 106 0.818 5.318 7.744 92 H GLY 107 HN GLY 107 2.246 0.128 5.146 93 1HA GLY 107 HA2 GLY 107 3.243 -1.234 7.281 94 2HA GLY 107 HA1 GLY 107 2.248 -1.983 6.043 95 H LEU 108 HN LEU 108 3.800 -2.134 3.875 96 HA LEU 108 HA LEU 108 5.744 -4.123 4.648 97 1HB LEU 108 HB2 LEU 108 4.290 -4.551 2.753 98 2HB LEU 108 HB1 LEU 108 4.877 -3.112 1.941 99 HG LEU 108 HG LEU 108 6.844 -5.234 2.669 100 1HD1 LEU 108 HD11 LEU 108 5.574 -5.484 0.021 101 2HD1 LEU 108 HD12 LEU 108 4.620 -6.043 1.395 102 3HD1 LEU 108 HD13 LEU 108 6.220 -6.724 1.097 103 1HD2 LEU 108 HD21 LEU 108 8.017 -3.580 1.674 104 2HD2 LEU 108 HD22 LEU 108 6.614 -2.958 0.805 105 3HD2 LEU 108 HD23 LEU 108 7.467 -4.379 0.201 106 H ALA 109 HN ALA 109 5.740 -0.864 3.364 107 HA ALA 109 HA ALA 109 8.687 -0.894 3.369 108 1HB ALA 109 HB1 ALA 109 7.351 1.348 2.022 109 2HB ALA 109 HB2 ALA 109 7.081 -0.232 1.287 110 3HB ALA 109 HB3 ALA 109 8.725 0.368 1.510 Start of MODEL 5 1 1H LYS 97 HT1 LYS 97 -3.776 4.727 -7.417 2 2H LYS 97 HT2 LYS 97 -4.610 3.919 -6.154 3 3H LYS 97 HT3 LYS 97 -5.482 4.582 -7.474 4 HA LYS 97 HA LYS 97 -4.911 2.964 -8.874 5 1HB LYS 97 HB2 LYS 97 -2.879 1.484 -8.370 6 2HB LYS 97 HB1 LYS 97 -2.573 3.142 -8.867 7 1HG LYS 97 HG2 LYS 97 -2.719 3.353 -6.142 8 2HG LYS 97 HG1 LYS 97 -1.943 1.786 -6.369 9 1HD LYS 97 HD2 LYS 97 -1.026 4.258 -7.814 10 2HD LYS 97 HD1 LYS 97 -0.419 3.823 -6.215 11 1HE LYS 97 HE2 LYS 97 1.146 2.707 -7.386 12 2HE LYS 97 HE1 LYS 97 -0.110 1.476 -7.518 13 1HZ LYS 97 HZ1 LYS 97 0.958 3.259 -9.546 14 2HZ LYS 97 HZ2 LYS 97 -0.715 3.017 -9.596 15 3HZ LYS 97 HZ3 LYS 97 0.334 1.694 -9.698 16 H MET 98 HN MET 98 -4.159 2.133 -5.506 17 HA MET 98 HA MET 98 -6.496 0.523 -5.238 18 1HB MET 98 HB2 MET 98 -4.124 -0.741 -6.244 19 2HB MET 98 HB1 MET 98 -4.507 -1.389 -4.655 20 1HG MET 98 HG2 MET 98 -6.328 -1.294 -7.046 21 2HG MET 98 HG1 MET 98 -5.556 -2.717 -6.356 22 1HE MET 98 HE1 MET 98 -5.597 -2.960 -3.822 23 2HE MET 98 HE2 MET 98 -6.983 -4.046 -3.910 24 3HE MET 98 HE3 MET 98 -7.003 -2.680 -2.795 25 H VAL 99 HN VAL 99 -7.004 0.194 -3.124 26 HA VAL 99 HA VAL 99 -5.723 1.704 -1.147 27 HB VAL 99 HB VAL 99 -7.507 -0.678 -0.642 28 1HG1 VAL 99 HG11 VAL 99 -7.417 1.817 0.998 29 2HG1 VAL 99 HG12 VAL 99 -6.192 0.569 1.227 30 3HG1 VAL 99 HG13 VAL 99 -7.897 0.185 1.462 31 1HG2 VAL 99 HG21 VAL 99 -9.178 1.425 -0.491 32 2HG2 VAL 99 HG22 VAL 99 -8.957 0.460 -1.951 33 3HG2 VAL 99 HG23 VAL 99 -8.095 1.987 -1.765 34 H ASN 100 HN ASN 100 -5.323 -1.632 -2.131 35 HA ASN 100 HA ASN 100 -3.820 -2.467 0.133 36 1HB ASN 100 HB2 ASN 100 -3.985 -3.597 -2.671 37 2HB ASN 100 HB1 ASN 100 -3.167 -4.393 -1.318 38 1HD2 ASN 100 HD21 ASN 100 -4.722 -6.097 -1.934 39 2HD2 ASN 100 HD22 ASN 100 -6.302 -6.060 -1.197 40 H GLU 101 HN GLU 101 -3.010 -0.983 -2.935 41 HA GLU 101 HA GLU 101 -0.215 -1.422 -2.822 42 1HB GLU 101 HB2 GLU 101 -1.978 -0.364 -4.667 43 2HB GLU 101 HB1 GLU 101 -1.029 1.035 -4.183 44 1HG GLU 101 HG2 GLU 101 0.811 0.307 -5.226 45 2HG GLU 101 HG1 GLU 101 0.548 -1.367 -4.742 46 H ALA 102 HN ALA 102 -2.325 1.012 -1.464 47 HA ALA 102 HA ALA 102 -0.172 2.765 -0.704 48 1HB ALA 102 HB1 ALA 102 -3.120 2.746 -0.140 49 2HB ALA 102 HB2 ALA 102 -2.195 3.870 -1.136 50 3HB ALA 102 HB3 ALA 102 -2.029 3.906 0.619 51 H LEU 103 HN LEU 103 -1.110 -0.162 0.447 52 HA LEU 103 HA LEU 103 -0.603 0.489 3.252 53 1HB LEU 103 HB2 LEU 103 -2.344 -1.280 2.020 54 2HB LEU 103 HB1 LEU 103 -1.062 -2.319 2.616 55 HG LEU 103 HG LEU 103 -1.390 -1.313 4.885 56 1HD1 LEU 103 HD11 LEU 103 -2.413 0.783 4.232 57 2HD1 LEU 103 HD12 LEU 103 -3.492 -0.112 5.301 58 3HD1 LEU 103 HD13 LEU 103 -3.801 -0.076 3.565 59 1HD2 LEU 103 HD21 LEU 103 -3.073 -2.787 5.442 60 2HD2 LEU 103 HD22 LEU 103 -2.528 -3.436 3.895 61 3HD2 LEU 103 HD23 LEU 103 -3.993 -2.457 3.974 62 H VAL 104 HN VAL 104 0.703 -1.242 0.511 63 HA VAL 104 HA VAL 104 2.815 -2.542 1.917 64 HB VAL 104 HB VAL 104 2.766 -1.836 -1.019 65 1HG1 VAL 104 HG11 VAL 104 4.909 -2.645 -0.045 66 2HG1 VAL 104 HG12 VAL 104 4.249 -3.701 -1.293 67 3HG1 VAL 104 HG13 VAL 104 4.088 -4.139 0.407 68 1HG2 VAL 104 HG21 VAL 104 0.699 -2.950 -0.529 69 2HG2 VAL 104 HG22 VAL 104 1.537 -4.193 0.401 70 3HG2 VAL 104 HG23 VAL 104 1.771 -4.088 -1.344 71 H ARG 105 HN ARG 105 2.357 0.591 0.467 72 HA ARG 105 HA ARG 105 5.035 1.369 0.208 73 1HB ARG 105 HB2 ARG 105 4.089 3.688 0.281 74 2HB ARG 105 HB1 ARG 105 3.329 2.628 -0.894 75 1HG ARG 105 HG2 ARG 105 1.417 3.364 -0.027 76 2HG ARG 105 HG1 ARG 105 1.753 2.247 1.298 77 1HD ARG 105 HD2 ARG 105 1.162 4.555 2.023 78 2HD ARG 105 HD1 ARG 105 2.729 3.994 2.605 79 HE ARG 105 HE ARG 105 3.708 5.694 1.444 80 1HH1 ARG 105 HH11 ARG 105 0.525 5.150 0.119 81 2HH1 ARG 105 HH12 ARG 105 0.601 6.511 -0.949 82 1HH2 ARG 105 HH21 ARG 105 3.809 7.485 0.040 83 2HH2 ARG 105 HH22 ARG 105 2.465 7.836 -0.994 84 H GLN 106 HN GLN 106 2.814 1.422 2.924 85 HA GLN 106 HA GLN 106 4.900 2.633 4.610 86 1HB GLN 106 HB2 GLN 106 2.641 3.708 4.558 87 2HB GLN 106 HB1 GLN 106 1.977 2.250 5.262 88 1HG GLN 106 HG2 GLN 106 3.513 2.570 7.194 89 2HG GLN 106 HG1 GLN 106 3.969 4.127 6.501 90 1HE2 GLN 106 HE21 GLN 106 3.117 4.605 8.786 91 2HE2 GLN 106 HE22 GLN 106 1.451 5.051 8.881 92 H GLY 107 HN GLY 107 2.239 0.329 5.100 93 1HA GLY 107 HA2 GLY 107 3.210 -0.926 7.313 94 2HA GLY 107 HA1 GLY 107 2.193 -1.724 6.124 95 H LEU 108 HN LEU 108 3.684 -2.103 3.979 96 HA LEU 108 HA LEU 108 5.600 -4.066 4.857 97 1HB LEU 108 HB2 LEU 108 4.133 -4.580 3.001 98 2HB LEU 108 HB1 LEU 108 4.726 -3.195 2.104 99 HG LEU 108 HG LEU 108 6.723 -5.240 2.917 100 1HD1 LEU 108 HD11 LEU 108 4.455 -6.217 1.857 101 2HD1 LEU 108 HD12 LEU 108 6.051 -6.898 1.546 102 3HD1 LEU 108 HD13 LEU 108 5.323 -5.791 0.383 103 1HD2 LEU 108 HD21 LEU 108 6.542 -4.158 0.181 104 2HD2 LEU 108 HD22 LEU 108 7.941 -4.359 1.235 105 3HD2 LEU 108 HD23 LEU 108 6.860 -2.984 1.457 106 H ALA 109 HN ALA 109 5.668 -0.870 3.448 107 HA ALA 109 HA ALA 109 8.607 -0.996 3.321 108 1HB ALA 109 HB1 ALA 109 6.571 0.440 1.720 109 2HB ALA 109 HB2 ALA 109 8.085 -0.313 1.219 110 3HB ALA 109 HB3 ALA 109 8.103 1.265 2.007 Start of MODEL 6 1 1H LYS 97 HT1 LYS 97 -4.060 4.665 -6.095 2 2H LYS 97 HT2 LYS 97 -4.500 4.608 -7.752 3 3H LYS 97 HT3 LYS 97 -2.847 4.724 -7.305 4 HA LYS 97 HA LYS 97 -3.875 2.495 -8.015 5 1HB LYS 97 HB2 LYS 97 -2.263 1.409 -6.365 6 2HB LYS 97 HB1 LYS 97 -1.597 2.649 -7.419 7 1HG LYS 97 HG2 LYS 97 -2.495 3.983 -5.131 8 2HG LYS 97 HG1 LYS 97 -1.664 2.536 -4.558 9 1HD LYS 97 HD2 LYS 97 -0.303 4.003 -6.718 10 2HD LYS 97 HD1 LYS 97 -0.422 4.862 -5.181 11 1HE LYS 97 HE2 LYS 97 1.461 3.732 -4.688 12 2HE LYS 97 HE1 LYS 97 0.344 2.418 -4.323 13 1HZ LYS 97 HZ1 LYS 97 2.195 2.716 -6.541 14 2HZ LYS 97 HZ2 LYS 97 0.688 2.057 -6.933 15 3HZ LYS 97 HZ3 LYS 97 1.655 1.315 -5.760 16 H MET 98 HN MET 98 -4.070 0.416 -6.494 17 HA MET 98 HA MET 98 -6.635 0.600 -5.298 18 1HB MET 98 HB2 MET 98 -4.565 -1.594 -5.349 19 2HB MET 98 HB1 MET 98 -6.131 -1.781 -4.571 20 1HG MET 98 HG2 MET 98 -6.907 -0.900 -6.992 21 2HG MET 98 HG1 MET 98 -5.423 -1.746 -7.424 22 1HE MET 98 HE1 MET 98 -8.271 -2.175 -4.842 23 2HE MET 98 HE2 MET 98 -9.076 -3.653 -5.370 24 3HE MET 98 HE3 MET 98 -9.201 -2.185 -6.341 25 H VAL 99 HN VAL 99 -7.156 -0.055 -3.078 26 HA VAL 99 HA VAL 99 -5.865 1.540 -1.175 27 HB VAL 99 HB VAL 99 -7.569 -0.875 -0.562 28 1HG1 VAL 99 HG11 VAL 99 -6.216 0.593 1.196 29 2HG1 VAL 99 HG12 VAL 99 -7.817 -0.058 1.545 30 3HG1 VAL 99 HG13 VAL 99 -7.640 1.621 1.036 31 1HG2 VAL 99 HG21 VAL 99 -9.082 0.187 -1.862 32 2HG2 VAL 99 HG22 VAL 99 -8.261 1.742 -1.736 33 3HG2 VAL 99 HG23 VAL 99 -9.295 1.182 -0.421 34 H ASN 100 HN ASN 100 -5.395 -1.806 -2.091 35 HA ASN 100 HA ASN 100 -3.820 -2.553 0.154 36 1HB ASN 100 HB2 ASN 100 -3.093 -4.452 -1.354 37 2HB ASN 100 HB1 ASN 100 -4.839 -4.301 -1.111 38 1HD2 ASN 100 HD21 ASN 100 -2.212 -4.038 -3.345 39 2HD2 ASN 100 HD22 ASN 100 -3.180 -3.851 -4.783 40 H GLU 101 HN GLU 101 -3.116 -1.069 -2.937 41 HA GLU 101 HA GLU 101 -0.306 -1.431 -2.878 42 1HB GLU 101 HB2 GLU 101 -2.107 0.490 -4.340 43 2HB GLU 101 HB1 GLU 101 -0.358 0.550 -4.508 44 1HG GLU 101 HG2 GLU 101 -0.708 -2.032 -5.015 45 2HG GLU 101 HG1 GLU 101 -2.298 -1.449 -5.507 46 H ALA 102 HN ALA 102 -2.461 0.941 -1.485 47 HA ALA 102 HA ALA 102 -0.346 2.770 -0.794 48 1HB ALA 102 HB1 ALA 102 -2.953 3.165 -1.193 49 2HB ALA 102 HB2 ALA 102 -1.975 4.221 -0.174 50 3HB ALA 102 HB3 ALA 102 -2.970 2.963 0.559 51 H LEU 103 HN LEU 103 -1.167 -0.172 0.400 52 HA LEU 103 HA LEU 103 -0.622 0.522 3.188 53 1HB LEU 103 HB2 LEU 103 -2.338 -1.308 2.014 54 2HB LEU 103 HB1 LEU 103 -1.013 -2.305 2.586 55 HG LEU 103 HG LEU 103 -1.319 -1.225 4.853 56 1HD1 LEU 103 HD11 LEU 103 -2.984 0.229 5.294 57 2HD1 LEU 103 HD12 LEU 103 -4.088 -0.514 4.137 58 3HD1 LEU 103 HD13 LEU 103 -2.832 0.590 3.575 59 1HD2 LEU 103 HD21 LEU 103 -3.871 -2.572 4.177 60 2HD2 LEU 103 HD22 LEU 103 -2.730 -2.890 5.484 61 3HD2 LEU 103 HD23 LEU 103 -2.377 -3.450 3.850 62 H VAL 104 HN VAL 104 0.672 -1.207 0.440 63 HA VAL 104 HA VAL 104 2.854 -2.422 1.815 64 HB VAL 104 HB VAL 104 2.716 -1.758 -1.128 65 1HG1 VAL 104 HG11 VAL 104 4.239 -3.609 -1.401 66 2HG1 VAL 104 HG12 VAL 104 4.166 -3.967 0.324 67 3HG1 VAL 104 HG13 VAL 104 4.910 -2.469 -0.235 68 1HG2 VAL 104 HG21 VAL 104 1.786 -4.038 -1.407 69 2HG2 VAL 104 HG22 VAL 104 0.699 -2.936 -0.563 70 3HG2 VAL 104 HG23 VAL 104 1.610 -4.143 0.344 71 H ARG 105 HN ARG 105 2.273 0.667 0.311 72 HA ARG 105 HA ARG 105 4.916 1.530 -0.008 73 1HB ARG 105 HB2 ARG 105 3.897 3.819 0.061 74 2HB ARG 105 HB1 ARG 105 3.149 2.721 -1.088 75 1HG ARG 105 HG2 ARG 105 1.239 3.440 -0.189 76 2HG ARG 105 HG1 ARG 105 1.611 2.303 1.109 77 1HD ARG 105 HD2 ARG 105 0.999 4.530 1.950 78 2HD ARG 105 HD1 ARG 105 2.640 4.069 2.400 79 HE ARG 105 HE ARG 105 3.409 5.859 1.218 80 1HH1 ARG 105 HH11 ARG 105 0.185 5.115 0.108 81 2HH1 ARG 105 HH12 ARG 105 0.088 6.498 -0.929 82 1HH2 ARG 105 HH21 ARG 105 3.283 7.679 -0.145 83 2HH2 ARG 105 HH22 ARG 105 1.847 7.954 -1.073 84 H GLN 106 HN GLN 106 2.830 1.381 2.782 85 HA GLN 106 HA GLN 106 4.934 2.665 4.402 86 1HB GLN 106 HB2 GLN 106 2.736 3.848 4.356 87 2HB GLN 106 HB1 GLN 106 2.000 2.433 5.076 88 1HG GLN 106 HG2 GLN 106 3.618 2.704 6.982 89 2HG GLN 106 HG1 GLN 106 4.042 4.268 6.286 90 1HE2 GLN 106 HE21 GLN 106 2.919 3.831 8.855 91 2HE2 GLN 106 HE22 GLN 106 1.377 4.608 8.892 92 H GLY 107 HN GLY 107 2.182 0.486 4.946 93 1HA GLY 107 HA2 GLY 107 3.092 -0.761 7.185 94 2HA GLY 107 HA1 GLY 107 2.053 -1.545 6.006 95 H LEU 108 HN LEU 108 3.661 -1.883 3.852 96 HA LEU 108 HA LEU 108 5.419 -3.979 4.775 97 1HB LEU 108 HB2 LEU 108 3.968 -4.321 2.829 98 2HB LEU 108 HB1 LEU 108 4.792 -3.026 1.981 99 HG LEU 108 HG LEU 108 6.487 -5.256 2.949 100 1HD1 LEU 108 HD11 LEU 108 5.168 -5.749 0.359 101 2HD1 LEU 108 HD12 LEU 108 4.190 -6.038 1.798 102 3HD1 LEU 108 HD13 LEU 108 5.723 -6.885 1.588 103 1HD2 LEU 108 HD21 LEU 108 7.156 -4.802 0.389 104 2HD2 LEU 108 HD22 LEU 108 7.789 -3.862 1.740 105 3HD2 LEU 108 HD23 LEU 108 6.436 -3.243 0.792 106 H ALA 109 HN ALA 109 5.708 -0.763 3.447 107 HA ALA 109 HA ALA 109 8.555 -1.006 2.990 108 1HB ALA 109 HB1 ALA 109 6.626 0.576 1.894 109 2HB ALA 109 HB2 ALA 109 8.361 0.865 1.771 110 3HB ALA 109 HB3 ALA 109 7.415 1.692 3.009 Start of MODEL 7 1 1H LYS 97 HT1 LYS 97 -4.504 4.796 -7.071 2 2H LYS 97 HT2 LYS 97 -3.128 4.478 -8.046 3 3H LYS 97 HT3 LYS 97 -2.972 4.563 -6.339 4 HA LYS 97 HA LYS 97 -4.227 2.497 -7.990 5 1HB LYS 97 HB2 LYS 97 -1.733 2.830 -6.810 6 2HB LYS 97 HB1 LYS 97 -2.582 1.774 -5.691 7 1HG LYS 97 HG2 LYS 97 -2.679 0.050 -7.168 8 2HG LYS 97 HG1 LYS 97 -2.724 1.112 -8.577 9 1HD LYS 97 HD2 LYS 97 -0.241 1.158 -6.972 10 2HD LYS 97 HD1 LYS 97 -0.564 -0.323 -7.877 11 1HE LYS 97 HE2 LYS 97 -0.234 0.671 -9.875 12 2HE LYS 97 HE1 LYS 97 -0.980 2.184 -9.362 13 1HZ LYS 97 HZ1 LYS 97 1.098 2.578 -8.040 14 2HZ LYS 97 HZ2 LYS 97 1.292 2.631 -9.720 15 3HZ LYS 97 HZ3 LYS 97 1.792 1.267 -8.855 16 H MET 98 HN MET 98 -4.320 0.634 -5.879 17 HA MET 98 HA MET 98 -6.691 1.613 -4.460 18 1HB MET 98 HB2 MET 98 -5.696 -1.159 -5.105 19 2HB MET 98 HB1 MET 98 -7.015 -0.871 -3.979 20 1HG MET 98 HG2 MET 98 -8.255 0.278 -5.773 21 2HG MET 98 HG1 MET 98 -6.950 -0.116 -6.891 22 1HE MET 98 HE1 MET 98 -9.558 -1.471 -4.430 23 2HE MET 98 HE2 MET 98 -10.232 -2.846 -5.305 24 3HE MET 98 HE3 MET 98 -10.441 -1.212 -5.935 25 H VAL 99 HN VAL 99 -6.954 0.249 -2.274 26 HA VAL 99 HA VAL 99 -5.060 1.304 -0.486 27 HB VAL 99 HB VAL 99 -6.197 -0.249 1.177 28 1HG1 VAL 99 HG11 VAL 99 -7.550 1.879 -0.410 29 2HG1 VAL 99 HG12 VAL 99 -6.982 1.911 1.260 30 3HG1 VAL 99 HG13 VAL 99 -8.450 1.026 0.844 31 1HG2 VAL 99 HG21 VAL 99 -6.895 -1.848 -0.688 32 2HG2 VAL 99 HG22 VAL 99 -8.190 -0.698 -1.017 33 3HG2 VAL 99 HG23 VAL 99 -8.087 -1.484 0.559 34 H ASN 100 HN ASN 100 -5.353 -1.807 -2.059 35 HA ASN 100 HA ASN 100 -3.637 -3.312 -0.438 36 1HB ASN 100 HB2 ASN 100 -3.284 -4.688 -2.549 37 2HB ASN 100 HB1 ASN 100 -4.962 -4.479 -2.028 38 1HD2 ASN 100 HD21 ASN 100 -2.512 -3.405 -4.298 39 2HD2 ASN 100 HD22 ASN 100 -3.624 -2.813 -5.504 40 H GLU 101 HN GLU 101 -2.983 -0.976 -2.949 41 HA GLU 101 HA GLU 101 -0.138 -1.615 -2.955 42 1HB GLU 101 HB2 GLU 101 -1.917 0.120 -4.624 43 2HB GLU 101 HB1 GLU 101 -0.186 0.430 -4.604 44 1HG GLU 101 HG2 GLU 101 -0.960 -2.371 -5.040 45 2HG GLU 101 HG1 GLU 101 -1.413 -1.245 -6.319 46 H ALA 102 HN ALA 102 -2.360 0.763 -1.709 47 HA ALA 102 HA ALA 102 -0.306 2.654 -1.007 48 1HB ALA 102 HB1 ALA 102 -3.177 2.563 -0.095 49 2HB ALA 102 HB2 ALA 102 -2.607 3.361 -1.561 50 3HB ALA 102 HB3 ALA 102 -2.075 3.936 0.019 51 H LEU 103 HN LEU 103 -1.078 -0.282 0.237 52 HA LEU 103 HA LEU 103 -0.608 0.493 3.018 53 1HB LEU 103 HB2 LEU 103 -2.260 -1.403 1.859 54 2HB LEU 103 HB1 LEU 103 -0.924 -2.357 2.478 55 HG LEU 103 HG LEU 103 -1.293 -1.254 4.714 56 1HD1 LEU 103 HD11 LEU 103 -3.590 -0.101 3.187 57 2HD1 LEU 103 HD12 LEU 103 -2.484 0.687 4.313 58 3HD1 LEU 103 HD13 LEU 103 -3.731 -0.404 4.919 59 1HD2 LEU 103 HD21 LEU 103 -2.868 -2.824 5.357 60 2HD2 LEU 103 HD22 LEU 103 -2.223 -3.518 3.870 61 3HD2 LEU 103 HD23 LEU 103 -3.776 -2.682 3.852 62 H VAL 104 HN VAL 104 0.788 -1.263 0.338 63 HA VAL 104 HA VAL 104 2.966 -2.391 1.795 64 HB VAL 104 HB VAL 104 2.874 -1.818 -1.169 65 1HG1 VAL 104 HG11 VAL 104 4.706 -3.107 -1.383 66 2HG1 VAL 104 HG12 VAL 104 4.195 -4.226 -0.120 67 3HG1 VAL 104 HG13 VAL 104 4.959 -2.697 0.314 68 1HG2 VAL 104 HG21 VAL 104 1.812 -4.200 0.342 69 2HG2 VAL 104 HG22 VAL 104 1.995 -4.114 -1.410 70 3HG2 VAL 104 HG23 VAL 104 0.873 -3.031 -0.586 71 H ARG 105 HN ARG 105 2.339 0.638 0.196 72 HA ARG 105 HA ARG 105 4.965 1.558 -0.102 73 1HB ARG 105 HB2 ARG 105 3.887 3.822 -0.116 74 2HB ARG 105 HB1 ARG 105 3.192 2.673 -1.247 75 1HG ARG 105 HG2 ARG 105 1.250 3.387 -0.405 76 2HG ARG 105 HG1 ARG 105 1.611 2.269 0.913 77 1HD ARG 105 HD2 ARG 105 0.948 4.466 1.749 78 2HD ARG 105 HD1 ARG 105 2.612 4.081 2.189 79 HE ARG 105 HE ARG 105 3.297 5.886 0.974 80 1HH1 ARG 105 HH11 ARG 105 0.079 5.019 -0.060 81 2HH1 ARG 105 HH12 ARG 105 -0.092 6.394 -1.098 82 1HH2 ARG 105 HH21 ARG 105 3.073 7.695 -0.390 83 2HH2 ARG 105 HH22 ARG 105 1.607 7.914 -1.286 84 H GLN 106 HN GLN 106 2.889 1.347 2.675 85 HA GLN 106 HA GLN 106 4.979 2.652 4.293 86 1HB GLN 106 HB2 GLN 106 2.964 4.068 4.124 87 2HB GLN 106 HB1 GLN 106 1.999 2.764 4.780 88 1HG GLN 106 HG2 GLN 106 3.739 2.917 6.743 89 2HG GLN 106 HG1 GLN 106 3.944 4.556 6.126 90 1HE2 GLN 106 HE21 GLN 106 2.770 5.972 7.179 91 2HE2 GLN 106 HE22 GLN 106 1.195 5.711 7.839 92 H GLY 107 HN GLY 107 2.003 0.800 4.855 93 1HA GLY 107 HA2 GLY 107 2.680 -0.397 7.189 94 2HA GLY 107 HA1 GLY 107 1.638 -1.157 5.998 95 H LEU 108 HN LEU 108 3.551 -1.551 3.955 96 HA LEU 108 HA LEU 108 5.060 -3.752 5.155 97 1HB LEU 108 HB2 LEU 108 3.464 -3.855 3.055 98 2HB LEU 108 HB1 LEU 108 4.901 -3.312 2.209 99 HG LEU 108 HG LEU 108 5.970 -5.364 3.562 100 1HD1 LEU 108 HD11 LEU 108 4.112 -7.200 3.153 101 2HD1 LEU 108 HD12 LEU 108 3.041 -5.840 3.491 102 3HD1 LEU 108 HD13 LEU 108 4.243 -6.334 4.684 103 1HD2 LEU 108 HD21 LEU 108 5.733 -4.824 1.031 104 2HD2 LEU 108 HD22 LEU 108 4.413 -5.993 1.090 105 3HD2 LEU 108 HD23 LEU 108 6.046 -6.483 1.542 106 H ALA 109 HN ALA 109 5.492 -0.754 3.419 107 HA ALA 109 HA ALA 109 8.192 -1.092 2.677 108 1HB ALA 109 HB1 ALA 109 8.219 1.247 2.235 109 2HB ALA 109 HB2 ALA 109 6.848 1.527 3.308 110 3HB ALA 109 HB3 ALA 109 6.619 0.650 1.795 Start of MODEL 8 1 1H LYS 97 HT1 LYS 97 -4.900 2.384 -9.679 2 2H LYS 97 HT2 LYS 97 -4.048 3.869 -9.559 3 3H LYS 97 HT3 LYS 97 -5.632 3.731 -8.914 4 HA LYS 97 HA LYS 97 -3.259 2.256 -7.991 5 1HB LYS 97 HB2 LYS 97 -4.062 4.928 -7.569 6 2HB LYS 97 HB1 LYS 97 -4.470 4.062 -6.095 7 1HG LYS 97 HG2 LYS 97 -2.251 3.465 -5.691 8 2HG LYS 97 HG1 LYS 97 -1.761 3.815 -7.349 9 1HD LYS 97 HD2 LYS 97 -2.905 6.086 -5.865 10 2HD LYS 97 HD1 LYS 97 -1.360 5.486 -5.257 11 1HE LYS 97 HE2 LYS 97 -0.518 6.892 -6.807 12 2HE LYS 97 HE1 LYS 97 -0.831 5.539 -7.892 13 1HZ LYS 97 HZ1 LYS 97 -1.823 7.280 -8.986 14 2HZ LYS 97 HZ2 LYS 97 -2.340 8.042 -7.568 15 3HZ LYS 97 HZ3 LYS 97 -3.139 6.658 -8.122 16 H MET 98 HN MET 98 -4.156 2.219 -5.337 17 HA MET 98 HA MET 98 -6.800 1.207 -5.102 18 1HB MET 98 HB2 MET 98 -4.577 -0.707 -5.600 19 2HB MET 98 HB1 MET 98 -5.767 -1.149 -4.384 20 1HG MET 98 HG2 MET 98 -7.395 -0.388 -6.386 21 2HG MET 98 HG1 MET 98 -6.015 -0.980 -7.309 22 1HE MET 98 HE1 MET 98 -8.557 -1.415 -4.772 23 2HE MET 98 HE2 MET 98 -8.301 -3.016 -4.076 24 3HE MET 98 HE3 MET 98 -9.376 -2.817 -5.460 25 H VAL 99 HN VAL 99 -6.801 -0.261 -2.921 26 HA VAL 99 HA VAL 99 -5.736 1.531 -0.908 27 HB VAL 99 HB VAL 99 -7.363 -0.973 -0.470 28 1HG1 VAL 99 HG11 VAL 99 -7.894 -0.033 1.666 29 2HG1 VAL 99 HG12 VAL 99 -7.072 1.475 1.263 30 3HG1 VAL 99 HG13 VAL 99 -6.141 -0.008 1.478 31 1HG2 VAL 99 HG21 VAL 99 -8.146 1.717 -1.407 32 2HG2 VAL 99 HG22 VAL 99 -9.149 1.004 -0.144 33 3HG2 VAL 99 HG23 VAL 99 -8.917 0.153 -1.671 34 H ASN 100 HN ASN 100 -5.187 -1.714 -2.097 35 HA ASN 100 HA ASN 100 -3.574 -2.613 0.056 36 1HB ASN 100 HB2 ASN 100 -2.854 -4.390 -1.511 37 2HB ASN 100 HB1 ASN 100 -4.613 -4.193 -1.481 38 1HD2 ASN 100 HD21 ASN 100 -5.518 -4.283 -3.386 39 2HD2 ASN 100 HD22 ASN 100 -4.801 -3.782 -4.895 40 H GLU 101 HN GLU 101 -2.924 -0.811 -2.874 41 HA GLU 101 HA GLU 101 -0.107 -1.083 -2.857 42 1HB GLU 101 HB2 GLU 101 -2.068 0.719 -4.191 43 2HB GLU 101 HB1 GLU 101 -0.385 1.224 -4.156 44 1HG GLU 101 HG2 GLU 101 -0.115 -1.331 -4.979 45 2HG GLU 101 HG1 GLU 101 -1.686 -0.927 -5.671 46 H ALA 102 HN ALA 102 -2.322 1.057 -1.209 47 HA ALA 102 HA ALA 102 -0.259 2.864 -0.329 48 1HB ALA 102 HB1 ALA 102 -3.180 2.604 0.318 49 2HB ALA 102 HB2 ALA 102 -2.371 3.860 -0.618 50 3HB ALA 102 HB3 ALA 102 -2.132 3.769 1.127 51 H LEU 103 HN LEU 103 -0.984 -0.215 0.541 52 HA LEU 103 HA LEU 103 -0.437 0.190 3.385 53 1HB LEU 103 HB2 LEU 103 -2.116 -1.547 2.034 54 2HB LEU 103 HB1 LEU 103 -0.761 -2.565 2.482 55 HG LEU 103 HG LEU 103 -1.060 -1.870 4.847 56 1HD1 LEU 103 HD11 LEU 103 -3.264 -0.804 5.410 57 2HD1 LEU 103 HD12 LEU 103 -3.425 -0.407 3.699 58 3HD1 LEU 103 HD13 LEU 103 -2.087 0.257 4.636 59 1HD2 LEU 103 HD21 LEU 103 -2.218 -3.866 3.654 60 2HD2 LEU 103 HD22 LEU 103 -3.686 -2.914 3.876 61 3HD2 LEU 103 HD23 LEU 103 -2.732 -3.404 5.276 62 H VAL 104 HN VAL 104 0.884 -1.190 0.459 63 HA VAL 104 HA VAL 104 3.108 -2.485 1.693 64 HB VAL 104 HB VAL 104 2.934 -1.537 -1.169 65 1HG1 VAL 104 HG11 VAL 104 4.423 -3.474 -1.573 66 2HG1 VAL 104 HG12 VAL 104 4.501 -3.739 0.169 67 3HG1 VAL 104 HG13 VAL 104 5.144 -2.251 -0.526 68 1HG2 VAL 104 HG21 VAL 104 2.047 -3.798 -1.669 69 2HG2 VAL 104 HG22 VAL 104 0.943 -2.804 -0.719 70 3HG2 VAL 104 HG23 VAL 104 1.880 -4.077 0.064 71 H ARG 105 HN ARG 105 2.417 0.730 0.560 72 HA ARG 105 HA ARG 105 5.040 1.687 0.290 73 1HB ARG 105 HB2 ARG 105 3.963 3.930 0.601 74 2HB ARG 105 HB1 ARG 105 3.234 2.937 -0.649 75 1HG ARG 105 HG2 ARG 105 1.311 3.493 0.327 76 2HG ARG 105 HG1 ARG 105 1.733 2.259 1.517 77 1HD ARG 105 HD2 ARG 105 1.066 4.357 2.580 78 2HD ARG 105 HD1 ARG 105 2.746 3.955 2.933 79 HE ARG 105 HE ARG 105 2.655 5.634 0.683 80 1HH1 ARG 105 HH11 ARG 105 2.104 5.736 4.128 81 2HH1 ARG 105 HH12 ARG 105 2.510 7.414 4.269 82 1HH2 ARG 105 HH21 ARG 105 3.189 7.840 0.867 83 2HH2 ARG 105 HH22 ARG 105 3.125 8.609 2.418 84 H GLN 106 HN GLN 106 2.968 1.237 3.066 85 HA GLN 106 HA GLN 106 5.129 2.262 4.793 86 1HB GLN 106 HB2 GLN 106 3.131 3.713 4.840 87 2HB GLN 106 HB1 GLN 106 2.160 2.350 5.350 88 1HG GLN 106 HG2 GLN 106 3.933 2.234 7.283 89 2HG GLN 106 HG1 GLN 106 4.161 3.933 6.866 90 1HE2 GLN 106 HE21 GLN 106 1.631 1.574 7.614 91 2HE2 GLN 106 HE22 GLN 106 0.605 2.679 8.458 92 H GLY 107 HN GLY 107 2.136 0.388 5.172 93 1HA GLY 107 HA2 GLY 107 2.839 -1.097 7.329 94 2HA GLY 107 HA1 GLY 107 1.764 -1.691 6.074 95 H LEU 108 HN LEU 108 3.944 -1.575 4.053 96 HA LEU 108 HA LEU 108 5.405 -3.976 4.937 97 1HB LEU 108 HB2 LEU 108 3.688 -4.095 3.008 98 2HB LEU 108 HB1 LEU 108 4.910 -3.265 2.064 99 HG LEU 108 HG LEU 108 6.462 -5.098 2.364 100 1HD1 LEU 108 HD11 LEU 108 4.338 -6.177 4.192 101 2HD1 LEU 108 HD12 LEU 108 6.042 -5.878 4.538 102 3HD1 LEU 108 HD13 LEU 108 5.578 -7.206 3.474 103 1HD2 LEU 108 HD21 LEU 108 5.293 -5.587 0.474 104 2HD2 LEU 108 HD22 LEU 108 3.739 -5.610 1.307 105 3HD2 LEU 108 HD23 LEU 108 4.836 -6.983 1.450 106 H ALA 109 HN ALA 109 5.649 -0.864 3.351 107 HA ALA 109 HA ALA 109 8.564 -1.012 3.640 108 1HB ALA 109 HB1 ALA 109 7.434 0.291 1.202 109 2HB ALA 109 HB2 ALA 109 7.659 -1.458 1.236 110 3HB ALA 109 HB3 ALA 109 9.040 -0.386 1.473 Start of MODEL 9 1 1H LYS 97 HT1 LYS 97 -6.477 4.487 -7.992 2 2H LYS 97 HT2 LYS 97 -5.903 3.225 -9.003 3 3H LYS 97 HT3 LYS 97 -5.092 4.737 -8.970 4 HA LYS 97 HA LYS 97 -3.780 3.387 -7.709 5 1HB LYS 97 HB2 LYS 97 -5.360 5.448 -6.512 6 2HB LYS 97 HB1 LYS 97 -5.050 4.215 -5.298 7 1HG LYS 97 HG2 LYS 97 -2.790 4.577 -5.304 8 2HG LYS 97 HG1 LYS 97 -2.782 5.191 -6.959 9 1HD LYS 97 HD2 LYS 97 -2.572 7.195 -5.951 10 2HD LYS 97 HD1 LYS 97 -4.319 7.055 -5.737 11 1HE LYS 97 HE2 LYS 97 -3.252 7.686 -3.647 12 2HE LYS 97 HE1 LYS 97 -3.960 6.077 -3.519 13 1HZ LYS 97 HZ1 LYS 97 -1.631 6.417 -2.597 14 2HZ LYS 97 HZ2 LYS 97 -1.111 6.455 -4.206 15 3HZ LYS 97 HZ3 LYS 97 -1.874 5.074 -3.597 16 H MET 98 HN MET 98 -4.148 2.463 -5.119 17 HA MET 98 HA MET 98 -6.299 0.544 -5.063 18 1HB MET 98 HB2 MET 98 -3.455 -0.295 -5.573 19 2HB MET 98 HB1 MET 98 -4.603 -1.376 -4.795 20 1HG MET 98 HG2 MET 98 -6.037 -0.624 -6.945 21 2HG MET 98 HG1 MET 98 -4.404 -0.519 -7.600 22 1HE MET 98 HE1 MET 98 -6.904 -2.569 -5.651 23 2HE MET 98 HE2 MET 98 -6.648 -4.231 -6.183 24 3HE MET 98 HE3 MET 98 -7.345 -3.049 -7.290 25 H VAL 99 HN VAL 99 -6.820 0.020 -3.014 26 HA VAL 99 HA VAL 99 -5.658 1.381 -0.855 27 HB VAL 99 HB VAL 99 -7.027 -0.253 0.538 28 1HG1 VAL 99 HG11 VAL 99 -8.312 1.431 -1.599 29 2HG1 VAL 99 HG12 VAL 99 -7.896 1.912 0.046 30 3HG1 VAL 99 HG13 VAL 99 -9.188 0.744 -0.231 31 1HG2 VAL 99 HG21 VAL 99 -6.955 -1.964 -1.401 32 2HG2 VAL 99 HG22 VAL 99 -8.310 -1.038 -2.045 33 3HG2 VAL 99 HG23 VAL 99 -8.437 -1.799 -0.459 34 H ASN 100 HN ASN 100 -5.110 -1.806 -2.194 35 HA ASN 100 HA ASN 100 -3.584 -2.770 0.033 36 1HB ASN 100 HB2 ASN 100 -2.941 -4.604 -1.579 37 2HB ASN 100 HB1 ASN 100 -4.682 -4.406 -1.325 38 1HD2 ASN 100 HD21 ASN 100 -5.669 -4.849 -3.150 39 2HD2 ASN 100 HD22 ASN 100 -5.218 -4.261 -4.727 40 H GLU 101 HN GLU 101 -2.896 -1.091 -2.952 41 HA GLU 101 HA GLU 101 -0.071 -1.524 -2.889 42 1HB GLU 101 HB2 GLU 101 -1.846 0.377 -4.409 43 2HB GLU 101 HB1 GLU 101 -0.094 0.429 -4.549 44 1HG GLU 101 HG2 GLU 101 -0.287 -2.075 -5.118 45 2HG GLU 101 HG1 GLU 101 -1.989 -1.717 -5.408 46 H ALA 102 HN ALA 102 -2.252 0.867 -1.572 47 HA ALA 102 HA ALA 102 -0.148 2.705 -0.865 48 1HB ALA 102 HB1 ALA 102 -1.823 4.110 -0.024 49 2HB ALA 102 HB2 ALA 102 -2.943 2.770 0.223 50 3HB ALA 102 HB3 ALA 102 -2.566 3.314 -1.412 51 H LEU 103 HN LEU 103 -0.994 -0.217 0.355 52 HA LEU 103 HA LEU 103 -0.515 0.525 3.143 53 1HB LEU 103 HB2 LEU 103 -2.215 -1.315 1.971 54 2HB LEU 103 HB1 LEU 103 -0.906 -2.311 2.578 55 HG LEU 103 HG LEU 103 -1.246 -1.174 4.822 56 1HD1 LEU 103 HD11 LEU 103 -2.464 0.752 4.365 57 2HD1 LEU 103 HD12 LEU 103 -3.668 -0.338 5.054 58 3HD1 LEU 103 HD13 LEU 103 -3.593 -0.095 3.308 59 1HD2 LEU 103 HD21 LEU 103 -2.963 -2.679 5.464 60 2HD2 LEU 103 HD22 LEU 103 -2.060 -3.463 4.168 61 3HD2 LEU 103 HD23 LEU 103 -3.626 -2.726 3.830 62 H VAL 104 HN VAL 104 0.850 -1.232 0.451 63 HA VAL 104 HA VAL 104 2.992 -2.433 1.910 64 HB VAL 104 HB VAL 104 2.900 -1.837 -1.051 65 1HG1 VAL 104 HG11 VAL 104 4.378 -3.989 0.457 66 2HG1 VAL 104 HG12 VAL 104 5.098 -2.476 -0.094 67 3HG1 VAL 104 HG13 VAL 104 4.479 -3.638 -1.269 68 1HG2 VAL 104 HG21 VAL 104 1.760 -3.828 -1.437 69 2HG2 VAL 104 HG22 VAL 104 0.923 -3.141 -0.045 70 3HG2 VAL 104 HG23 VAL 104 2.089 -4.444 0.182 71 H ARG 105 HN ARG 105 2.449 0.617 0.316 72 HA ARG 105 HA ARG 105 5.092 1.477 0.036 73 1HB ARG 105 HB2 ARG 105 4.068 3.768 0.046 74 2HB ARG 105 HB1 ARG 105 3.350 2.648 -1.100 75 1HG ARG 105 HG2 ARG 105 1.424 3.401 -0.254 76 2HG ARG 105 HG1 ARG 105 1.752 2.254 1.048 77 1HD ARG 105 HD2 ARG 105 1.141 4.454 1.915 78 2HD ARG 105 HD1 ARG 105 2.793 4.022 2.355 79 HE ARG 105 HE ARG 105 2.981 5.477 0.020 80 1HH1 ARG 105 HH11 ARG 105 1.779 6.015 3.252 81 2HH1 ARG 105 HH12 ARG 105 2.116 7.713 3.229 82 1HH2 ARG 105 HH21 ARG 105 3.425 7.710 -0.012 83 2HH2 ARG 105 HH22 ARG 105 3.050 8.676 1.376 84 H GLN 106 HN GLN 106 3.021 1.276 2.813 85 HA GLN 106 HA GLN 106 5.132 2.535 4.441 86 1HB GLN 106 HB2 GLN 106 3.126 3.970 4.294 87 2HB GLN 106 HB1 GLN 106 2.155 2.668 4.944 88 1HG GLN 106 HG2 GLN 106 3.896 2.782 6.901 89 2HG GLN 106 HG1 GLN 106 4.134 4.421 6.295 90 1HE2 GLN 106 HE21 GLN 106 1.313 2.308 6.726 91 2HE2 GLN 106 HE22 GLN 106 0.384 3.448 7.633 92 H GLY 107 HN GLY 107 2.141 0.702 4.985 93 1HA GLY 107 HA2 GLY 107 2.815 -0.531 7.302 94 2HA GLY 107 HA1 GLY 107 1.761 -1.265 6.106 95 H LEU 108 HN LEU 108 3.639 -1.671 4.048 96 HA LEU 108 HA LEU 108 5.136 -3.897 5.213 97 1HB LEU 108 HB2 LEU 108 3.531 -3.934 3.108 98 2HB LEU 108 HB1 LEU 108 4.987 -3.427 2.274 99 HG LEU 108 HG LEU 108 6.150 -5.433 2.987 100 1HD1 LEU 108 HD11 LEU 108 3.662 -5.881 4.592 101 2HD1 LEU 108 HD12 LEU 108 5.348 -5.939 5.108 102 3HD1 LEU 108 HD13 LEU 108 4.688 -7.231 4.105 103 1HD2 LEU 108 HD21 LEU 108 4.349 -7.126 2.007 104 2HD2 LEU 108 HD22 LEU 108 5.197 -5.959 0.992 105 3HD2 LEU 108 HD23 LEU 108 3.562 -5.614 1.555 106 H ALA 109 HN ALA 109 5.597 -0.880 3.516 107 HA ALA 109 HA ALA 109 8.292 -1.245 2.762 108 1HB ALA 109 HB1 ALA 109 6.719 0.527 1.912 109 2HB ALA 109 HB2 ALA 109 8.341 1.086 2.319 110 3HB ALA 109 HB3 ALA 109 7.000 1.392 3.423 Start of MODEL 10 1 1H LYS 97 HT1 LYS 97 -2.012 2.270 -5.734 2 2H LYS 97 HT2 LYS 97 -1.802 3.791 -4.968 3 3H LYS 97 HT3 LYS 97 -1.363 3.589 -6.615 4 HA LYS 97 HA LYS 97 -3.464 4.773 -6.223 5 1HB LYS 97 HB2 LYS 97 -2.887 3.734 -8.352 6 2HB LYS 97 HB1 LYS 97 -3.470 2.179 -7.776 7 1HG LYS 97 HG2 LYS 97 -5.734 3.040 -7.663 8 2HG LYS 97 HG1 LYS 97 -5.169 4.635 -8.163 9 1HD LYS 97 HD2 LYS 97 -5.940 3.745 -10.155 10 2HD LYS 97 HD1 LYS 97 -4.218 3.364 -10.222 11 1HE LYS 97 HE2 LYS 97 -5.402 1.408 -10.882 12 2HE LYS 97 HE1 LYS 97 -4.772 1.117 -9.261 13 1HZ LYS 97 HZ1 LYS 97 -7.543 2.025 -9.813 14 2HZ LYS 97 HZ2 LYS 97 -6.913 1.504 -8.332 15 3HZ LYS 97 HZ3 LYS 97 -7.110 0.403 -9.601 16 H MET 98 HN MET 98 -4.126 1.292 -6.166 17 HA MET 98 HA MET 98 -6.569 1.584 -4.776 18 1HB MET 98 HB2 MET 98 -4.840 -0.707 -5.581 19 2HB MET 98 HB1 MET 98 -6.075 -0.995 -4.364 20 1HG MET 98 HG2 MET 98 -7.553 0.289 -6.184 21 2HG MET 98 HG1 MET 98 -6.342 -0.427 -7.245 22 1HE MET 98 HE1 MET 98 -8.456 -0.902 -4.290 23 2HE MET 98 HE2 MET 98 -8.376 -2.640 -3.998 24 3HE MET 98 HE3 MET 98 -9.707 -1.964 -4.937 25 H VAL 99 HN VAL 99 -6.824 -0.014 -2.737 26 HA VAL 99 HA VAL 99 -5.299 1.271 -0.647 27 HB VAL 99 HB VAL 99 -7.373 -0.900 -0.340 28 1HG1 VAL 99 HG11 VAL 99 -7.306 -0.529 1.883 29 2HG1 VAL 99 HG12 VAL 99 -7.014 1.200 1.694 30 3HG1 VAL 99 HG13 VAL 99 -5.681 0.057 1.528 31 1HG2 VAL 99 HG21 VAL 99 -8.918 1.043 0.145 32 2HG2 VAL 99 HG22 VAL 99 -8.464 0.819 -1.544 33 3HG2 VAL 99 HG23 VAL 99 -7.693 2.081 -0.584 34 H ASN 100 HN ASN 100 -5.472 -1.874 -2.174 35 HA ASN 100 HA ASN 100 -3.969 -3.293 -0.233 36 1HB ASN 100 HB2 ASN 100 -5.442 -4.335 -1.982 37 2HB ASN 100 HB1 ASN 100 -4.206 -3.928 -3.182 38 1HD2 ASN 100 HD21 ASN 100 -4.421 -5.455 0.021 39 2HD2 ASN 100 HD22 ASN 100 -3.357 -6.783 -0.358 40 H GLU 101 HN GLU 101 -3.116 -1.314 -2.982 41 HA GLU 101 HA GLU 101 -0.313 -2.083 -2.823 42 1HB GLU 101 HB2 GLU 101 -1.977 -0.490 -4.717 43 2HB GLU 101 HB1 GLU 101 -0.254 -0.149 -4.644 44 1HG GLU 101 HG2 GLU 101 -0.910 -2.993 -4.834 45 2HG GLU 101 HG1 GLU 101 -1.417 -2.030 -6.222 46 H ALA 102 HN ALA 102 -2.428 0.517 -1.869 47 HA ALA 102 HA ALA 102 -0.293 2.358 -1.293 48 1HB ALA 102 HB1 ALA 102 -3.232 2.427 -0.637 49 2HB ALA 102 HB2 ALA 102 -2.406 3.280 -1.941 50 3HB ALA 102 HB3 ALA 102 -2.100 3.727 -0.263 51 H LEU 103 HN LEU 103 -1.247 -0.405 0.201 52 HA LEU 103 HA LEU 103 -0.791 0.599 2.908 53 1HB LEU 103 HB2 LEU 103 -2.509 -1.317 1.882 54 2HB LEU 103 HB1 LEU 103 -1.238 -2.269 2.627 55 HG LEU 103 HG LEU 103 -1.607 -0.926 4.735 56 1HD1 LEU 103 HD11 LEU 103 -4.216 -0.151 3.468 57 2HD1 LEU 103 HD12 LEU 103 -2.814 0.919 3.469 58 3HD1 LEU 103 HD13 LEU 103 -3.527 0.398 4.996 59 1HD2 LEU 103 HD21 LEU 103 -2.448 -3.095 4.787 60 2HD2 LEU 103 HD22 LEU 103 -3.671 -2.754 3.562 61 3HD2 LEU 103 HD23 LEU 103 -3.850 -2.104 5.192 62 H VAL 104 HN VAL 104 0.568 -1.465 0.436 63 HA VAL 104 HA VAL 104 2.656 -2.558 2.044 64 HB VAL 104 HB VAL 104 2.655 -2.262 -0.961 65 1HG1 VAL 104 HG11 VAL 104 4.789 -2.909 0.105 66 2HG1 VAL 104 HG12 VAL 104 4.131 -4.172 -0.935 67 3HG1 VAL 104 HG13 VAL 104 3.981 -4.305 0.817 68 1HG2 VAL 104 HG21 VAL 104 1.433 -4.430 0.738 69 2HG2 VAL 104 HG22 VAL 104 1.662 -4.525 -1.008 70 3HG2 VAL 104 HG23 VAL 104 0.581 -3.311 -0.325 71 H ARG 105 HN ARG 105 2.221 0.340 0.159 72 HA ARG 105 HA ARG 105 4.895 1.092 -0.162 73 1HB ARG 105 HB2 ARG 105 3.940 3.403 -0.381 74 2HB ARG 105 HB1 ARG 105 3.208 2.202 -1.432 75 1HG ARG 105 HG2 ARG 105 1.283 3.051 -0.694 76 2HG ARG 105 HG1 ARG 105 1.580 2.067 0.740 77 1HD ARG 105 HD2 ARG 105 0.991 4.393 1.285 78 2HD ARG 105 HD1 ARG 105 2.598 3.950 1.860 79 HE ARG 105 HE ARG 105 2.852 5.119 -0.670 80 1HH1 ARG 105 HH11 ARG 105 1.950 6.008 2.582 81 2HH1 ARG 105 HH12 ARG 105 2.467 7.651 2.410 82 1HH2 ARG 105 HH21 ARG 105 3.533 7.280 -0.898 83 2HH2 ARG 105 HH22 ARG 105 3.366 8.374 0.435 84 H GLN 106 HN GLN 106 2.704 1.355 2.544 85 HA GLN 106 HA GLN 106 4.793 2.759 4.080 86 1HB GLN 106 HB2 GLN 106 2.620 3.961 3.831 87 2HB GLN 106 HB1 GLN 106 1.836 2.648 4.682 88 1HG GLN 106 HG2 GLN 106 3.414 3.112 6.592 89 2HG GLN 106 HG1 GLN 106 3.864 4.589 5.739 90 1HE2 GLN 106 HE21 GLN 106 2.721 4.533 8.295 91 2HE2 GLN 106 HE22 GLN 106 1.164 5.277 8.212 92 H GLY 107 HN GLY 107 1.986 0.698 4.783 93 1HA GLY 107 HA2 GLY 107 2.828 -0.301 7.175 94 2HA GLY 107 HA1 GLY 107 1.782 -1.185 6.076 95 H LEU 108 HN LEU 108 3.787 -1.395 3.976 96 HA LEU 108 HA LEU 108 5.445 -3.484 5.210 97 1HB LEU 108 HB2 LEU 108 3.940 -4.294 3.493 98 2HB LEU 108 HB1 LEU 108 4.548 -3.107 2.355 99 HG LEU 108 HG LEU 108 6.516 -5.011 3.508 100 1HD1 LEU 108 HD11 LEU 108 5.809 -6.874 2.445 101 2HD1 LEU 108 HD12 LEU 108 5.053 -5.972 1.131 102 3HD1 LEU 108 HD13 LEU 108 4.228 -6.130 2.682 103 1HD2 LEU 108 HD21 LEU 108 6.322 -4.440 0.623 104 2HD2 LEU 108 HD22 LEU 108 7.730 -4.475 1.684 105 3HD2 LEU 108 HD23 LEU 108 6.678 -3.060 1.661 106 H ALA 109 HN ALA 109 5.542 -0.580 3.276 107 HA ALA 109 HA ALA 109 8.474 -0.791 3.114 108 1HB ALA 109 HB1 ALA 109 7.849 -0.485 0.935 109 2HB ALA 109 HB2 ALA 109 8.040 1.195 1.436 110 3HB ALA 109 HB3 ALA 109 6.432 0.475 1.359 Start of MODEL 11 1 1H LYS 97 HT1 LYS 97 -2.080 1.609 -6.656 2 2H LYS 97 HT2 LYS 97 -2.204 2.770 -5.399 3 3H LYS 97 HT3 LYS 97 -1.545 3.216 -6.920 4 HA LYS 97 HA LYS 97 -3.648 4.057 -6.967 5 1HB LYS 97 HB2 LYS 97 -3.036 2.775 -8.960 6 2HB LYS 97 HB1 LYS 97 -3.693 1.314 -8.238 7 1HG LYS 97 HG2 LYS 97 -5.857 2.896 -8.102 8 2HG LYS 97 HG1 LYS 97 -5.068 3.578 -9.526 9 1HD LYS 97 HD2 LYS 97 -5.381 0.616 -9.276 10 2HD LYS 97 HD1 LYS 97 -6.753 1.603 -9.787 11 1HE LYS 97 HE2 LYS 97 -5.701 0.931 -11.778 12 2HE LYS 97 HE1 LYS 97 -5.192 2.600 -11.526 13 1HZ LYS 97 HZ1 LYS 97 -3.088 1.876 -10.747 14 2HZ LYS 97 HZ2 LYS 97 -3.386 1.041 -12.187 15 3HZ LYS 97 HZ3 LYS 97 -3.573 0.255 -10.702 16 H MET 98 HN MET 98 -4.337 0.607 -6.532 17 HA MET 98 HA MET 98 -6.831 0.995 -5.320 18 1HB MET 98 HB2 MET 98 -4.977 -1.277 -5.700 19 2HB MET 98 HB1 MET 98 -6.130 -1.446 -4.384 20 1HG MET 98 HG2 MET 98 -7.339 -0.481 -6.849 21 2HG MET 98 HG1 MET 98 -6.579 -2.062 -7.016 22 1HE MET 98 HE1 MET 98 -9.041 0.174 -5.539 23 2HE MET 98 HE2 MET 98 -10.174 -0.795 -4.597 24 3HE MET 98 HE3 MET 98 -10.241 -0.824 -6.359 25 H VAL 99 HN VAL 99 -7.092 -0.320 -3.039 26 HA VAL 99 HA VAL 99 -5.944 1.477 -1.112 27 HB VAL 99 HB VAL 99 -7.624 -0.976 -0.583 28 1HG1 VAL 99 HG11 VAL 99 -6.944 -0.434 1.506 29 2HG1 VAL 99 HG12 VAL 99 -8.247 0.747 1.372 30 3HG1 VAL 99 HG13 VAL 99 -6.579 1.236 1.073 31 1HG2 VAL 99 HG21 VAL 99 -9.504 0.131 -1.123 32 2HG2 VAL 99 HG22 VAL 99 -8.428 1.130 -2.101 33 3HG2 VAL 99 HG23 VAL 99 -8.904 1.664 -0.489 34 H ASN 100 HN ASN 100 -5.428 -1.833 -2.125 35 HA ASN 100 HA ASN 100 -3.828 -2.621 0.086 36 1HB ASN 100 HB2 ASN 100 -4.235 -3.705 -2.693 37 2HB ASN 100 HB1 ASN 100 -3.027 -4.407 -1.607 38 1HD2 ASN 100 HD21 ASN 100 -4.808 -6.119 -2.354 39 2HD2 ASN 100 HD22 ASN 100 -6.017 -6.416 -1.134 40 H GLU 101 HN GLU 101 -3.164 -1.036 -2.963 41 HA GLU 101 HA GLU 101 -0.347 -1.349 -2.920 42 1HB GLU 101 HB2 GLU 101 -2.288 0.340 -4.416 43 2HB GLU 101 HB1 GLU 101 -0.605 0.852 -4.406 44 1HG GLU 101 HG2 GLU 101 0.037 -0.797 -5.776 45 2HG GLU 101 HG1 GLU 101 -1.008 -1.987 -5.001 46 H ALA 102 HN ALA 102 -2.543 0.943 -1.463 47 HA ALA 102 HA ALA 102 -0.464 2.800 -0.736 48 1HB ALA 102 HB1 ALA 102 -3.236 2.741 0.416 49 2HB ALA 102 HB2 ALA 102 -2.898 3.386 -1.190 50 3HB ALA 102 HB3 ALA 102 -2.152 4.119 0.230 51 H LEU 103 HN LEU 103 -1.215 -0.189 0.389 52 HA LEU 103 HA LEU 103 -0.667 0.447 3.190 53 1HB LEU 103 HB2 LEU 103 -2.351 -1.390 1.980 54 2HB LEU 103 HB1 LEU 103 -1.002 -2.372 2.520 55 HG LEU 103 HG LEU 103 -1.317 -1.356 4.814 56 1HD1 LEU 103 HD11 LEU 103 -4.099 -0.671 4.079 57 2HD1 LEU 103 HD12 LEU 103 -2.842 0.481 3.627 58 3HD1 LEU 103 HD13 LEU 103 -3.047 0.017 5.316 59 1HD2 LEU 103 HD21 LEU 103 -2.962 -2.924 5.428 60 2HD2 LEU 103 HD22 LEU 103 -2.164 -3.613 4.014 61 3HD2 LEU 103 HD23 LEU 103 -3.743 -2.844 3.849 62 H VAL 104 HN VAL 104 0.646 -1.185 0.391 63 HA VAL 104 HA VAL 104 2.862 -2.388 1.722 64 HB VAL 104 HB VAL 104 2.696 -1.650 -1.202 65 1HG1 VAL 104 HG11 VAL 104 4.181 -3.885 0.174 66 2HG1 VAL 104 HG12 VAL 104 4.904 -2.353 -0.316 67 3HG1 VAL 104 HG13 VAL 104 4.256 -3.452 -1.534 68 1HG2 VAL 104 HG21 VAL 104 1.627 -4.083 0.217 69 2HG2 VAL 104 HG22 VAL 104 1.810 -3.947 -1.532 70 3HG2 VAL 104 HG23 VAL 104 0.703 -2.875 -0.674 71 H ARG 105 HN ARG 105 2.205 0.728 0.305 72 HA ARG 105 HA ARG 105 4.829 1.653 -0.006 73 1HB ARG 105 HB2 ARG 105 3.762 3.918 0.123 74 2HB ARG 105 HB1 ARG 105 3.030 2.833 -1.047 75 1HG ARG 105 HG2 ARG 105 1.111 3.487 -0.119 76 2HG ARG 105 HG1 ARG 105 1.517 2.331 1.151 77 1HD ARG 105 HD2 ARG 105 0.860 4.537 2.032 78 2HD ARG 105 HD1 ARG 105 2.504 4.085 2.481 79 HE ARG 105 HE ARG 105 2.660 5.586 0.145 80 1HH1 ARG 105 HH11 ARG 105 1.681 6.031 3.465 81 2HH1 ARG 105 HH12 ARG 105 2.090 7.713 3.491 82 1HH2 ARG 105 HH21 ARG 105 3.199 7.799 0.177 83 2HH2 ARG 105 HH22 ARG 105 2.951 8.717 1.624 84 H GLN 106 HN GLN 106 2.751 1.404 2.786 85 HA GLN 106 HA GLN 106 4.829 2.699 4.430 86 1HB GLN 106 HB2 GLN 106 2.587 3.801 4.430 87 2HB GLN 106 HB1 GLN 106 1.911 2.342 5.119 88 1HG GLN 106 HG2 GLN 106 3.520 2.621 7.023 89 2HG GLN 106 HG1 GLN 106 3.906 4.209 6.361 90 1HE2 GLN 106 HE21 GLN 106 1.848 2.451 8.354 91 2HE2 GLN 106 HE22 GLN 106 0.658 3.672 8.632 92 H GLY 107 HN GLY 107 2.161 0.409 4.931 93 1HA GLY 107 HA2 GLY 107 3.137 -0.868 7.127 94 2HA GLY 107 HA1 GLY 107 2.111 -1.653 5.937 95 H LEU 108 HN LEU 108 3.686 -1.900 3.760 96 HA LEU 108 HA LEU 108 5.517 -3.962 4.592 97 1HB LEU 108 HB2 LEU 108 4.114 -4.322 2.649 98 2HB LEU 108 HB1 LEU 108 4.787 -2.907 1.862 99 HG LEU 108 HG LEU 108 6.744 -4.980 2.635 100 1HD1 LEU 108 HD11 LEU 108 4.476 -5.986 1.595 101 2HD1 LEU 108 HD12 LEU 108 6.078 -6.658 1.289 102 3HD1 LEU 108 HD13 LEU 108 5.340 -5.569 0.114 103 1HD2 LEU 108 HD21 LEU 108 6.872 -2.737 1.176 104 2HD2 LEU 108 HD22 LEU 108 6.513 -3.896 -0.103 105 3HD2 LEU 108 HD23 LEU 108 7.935 -4.120 0.916 106 H ALA 109 HN ALA 109 5.719 -0.686 3.402 107 HA ALA 109 HA ALA 109 8.578 -0.839 2.959 108 1HB ALA 109 HB1 ALA 109 6.622 0.710 1.871 109 2HB ALA 109 HB2 ALA 109 8.349 1.062 1.790 110 3HB ALA 109 HB3 ALA 109 7.351 1.822 3.030 Start of MODEL 12 1 1H LYS 97 HT1 LYS 97 -4.087 4.902 -7.946 2 2H LYS 97 HT2 LYS 97 -4.474 4.192 -6.432 3 3H LYS 97 HT3 LYS 97 -5.721 4.814 -7.435 4 HA LYS 97 HA LYS 97 -5.417 3.160 -9.014 5 1HB LYS 97 HB2 LYS 97 -2.979 3.131 -8.953 6 2HB LYS 97 HB1 LYS 97 -3.005 2.390 -7.360 7 1HG LYS 97 HG2 LYS 97 -4.236 0.454 -8.431 8 2HG LYS 97 HG1 LYS 97 -3.812 1.177 -9.984 9 1HD LYS 97 HD2 LYS 97 -1.751 0.567 -7.882 10 2HD LYS 97 HD1 LYS 97 -2.254 -0.626 -9.082 11 1HE LYS 97 HE2 LYS 97 -0.553 0.261 -10.271 12 2HE LYS 97 HE1 LYS 97 -1.764 1.471 -10.691 13 1HZ LYS 97 HZ1 LYS 97 -0.838 2.531 -8.463 14 2HZ LYS 97 HZ2 LYS 97 -0.135 2.840 -9.970 15 3HZ LYS 97 HZ3 LYS 97 0.553 1.692 -8.937 16 H MET 98 HN MET 98 -4.231 1.893 -5.924 17 HA MET 98 HA MET 98 -6.875 0.732 -5.413 18 1HB MET 98 HB2 MET 98 -4.299 -0.717 -5.778 19 2HB MET 98 HB1 MET 98 -5.395 -1.302 -4.533 20 1HG MET 98 HG2 MET 98 -7.110 -1.037 -6.590 21 2HG MET 98 HG1 MET 98 -5.623 -1.403 -7.463 22 1HE MET 98 HE1 MET 98 -8.036 -4.184 -4.754 23 2HE MET 98 HE2 MET 98 -8.557 -2.668 -5.488 24 3HE MET 98 HE3 MET 98 -7.454 -2.648 -4.112 25 H VAL 99 HN VAL 99 -6.592 -0.524 -3.126 26 HA VAL 99 HA VAL 99 -5.660 1.568 -1.295 27 HB VAL 99 HB VAL 99 -7.417 -0.797 -0.638 28 1HG1 VAL 99 HG11 VAL 99 -6.360 1.517 0.859 29 2HG1 VAL 99 HG12 VAL 99 -6.800 -0.097 1.420 30 3HG1 VAL 99 HG13 VAL 99 -8.053 1.112 1.142 31 1HG2 VAL 99 HG21 VAL 99 -8.042 1.797 -1.899 32 2HG2 VAL 99 HG22 VAL 99 -9.106 1.295 -0.585 33 3HG2 VAL 99 HG23 VAL 99 -8.891 0.254 -1.992 34 H ASN 100 HN ASN 100 -5.238 -1.811 -2.104 35 HA ASN 100 HA ASN 100 -3.719 -2.528 0.184 36 1HB ASN 100 HB2 ASN 100 -4.848 -4.184 -1.267 37 2HB ASN 100 HB1 ASN 100 -3.717 -3.790 -2.570 38 1HD2 ASN 100 HD21 ASN 100 -2.600 -5.616 -2.781 39 2HD2 ASN 100 HD22 ASN 100 -1.691 -6.383 -1.507 40 H GLU 101 HN GLU 101 -2.924 -1.124 -2.921 41 HA GLU 101 HA GLU 101 -0.123 -1.526 -2.797 42 1HB GLU 101 HB2 GLU 101 -1.962 0.194 -4.393 43 2HB GLU 101 HB1 GLU 101 -0.252 0.605 -4.381 44 1HG GLU 101 HG2 GLU 101 -0.164 -2.070 -4.860 45 2HG GLU 101 HG1 GLU 101 -1.652 -1.607 -5.685 46 H ALA 102 HN ALA 102 -2.265 0.903 -1.485 47 HA ALA 102 HA ALA 102 -0.133 2.708 -0.781 48 1HB ALA 102 HB1 ALA 102 -2.053 3.905 -1.136 49 2HB ALA 102 HB2 ALA 102 -2.114 3.723 0.617 50 3HB ALA 102 HB3 ALA 102 -3.085 2.671 -0.413 51 H LEU 103 HN LEU 103 -1.027 -0.201 0.443 52 HA LEU 103 HA LEU 103 -0.522 0.528 3.229 53 1HB LEU 103 HB2 LEU 103 -2.248 -1.291 2.052 54 2HB LEU 103 HB1 LEU 103 -0.952 -2.301 2.665 55 HG LEU 103 HG LEU 103 -1.281 -1.190 4.909 56 1HD1 LEU 103 HD11 LEU 103 -2.436 0.754 4.652 57 2HD1 LEU 103 HD12 LEU 103 -3.781 -0.329 5.014 58 3HD1 LEU 103 HD13 LEU 103 -3.435 0.120 3.344 59 1HD2 LEU 103 HD21 LEU 103 -2.306 -3.418 4.006 60 2HD2 LEU 103 HD22 LEU 103 -3.822 -2.521 4.092 61 3HD2 LEU 103 HD23 LEU 103 -2.847 -2.748 5.545 62 H VAL 104 HN VAL 104 0.792 -1.267 0.533 63 HA VAL 104 HA VAL 104 2.926 -2.498 1.967 64 HB VAL 104 HB VAL 104 2.861 -1.875 -0.987 65 1HG1 VAL 104 HG11 VAL 104 4.476 -3.527 -1.253 66 2HG1 VAL 104 HG12 VAL 104 4.135 -4.251 0.318 67 3HG1 VAL 104 HG13 VAL 104 4.982 -2.707 0.225 68 1HG2 VAL 104 HG21 VAL 104 0.808 -2.998 -0.466 69 2HG2 VAL 104 HG22 VAL 104 1.659 -4.203 0.500 70 3HG2 VAL 104 HG23 VAL 104 1.892 -4.148 -1.247 71 H ARG 105 HN ARG 105 2.427 0.580 0.411 72 HA ARG 105 HA ARG 105 5.092 1.390 0.129 73 1HB ARG 105 HB2 ARG 105 4.113 3.697 0.140 74 2HB ARG 105 HB1 ARG 105 3.366 2.594 -1.004 75 1HG ARG 105 HG2 ARG 105 1.453 3.360 -0.152 76 2HG ARG 105 HG1 ARG 105 1.782 2.241 1.173 77 1HD ARG 105 HD2 ARG 105 1.192 4.505 1.948 78 2HD ARG 105 HD1 ARG 105 2.806 4.008 2.457 79 HE ARG 105 HE ARG 105 3.659 5.753 1.263 80 1HH1 ARG 105 HH11 ARG 105 0.449 5.075 0.073 81 2HH1 ARG 105 HH12 ARG 105 0.421 6.440 -0.993 82 1HH2 ARG 105 HH21 ARG 105 3.623 7.549 -0.137 83 2HH2 ARG 105 HH22 ARG 105 2.223 7.844 -1.113 84 H GLN 106 HN GLN 106 2.943 1.332 2.877 85 HA GLN 106 HA GLN 106 5.031 2.615 4.518 86 1HB GLN 106 HB2 GLN 106 2.835 3.802 4.417 87 2HB GLN 106 HB1 GLN 106 2.085 2.399 5.148 88 1HG GLN 106 HG2 GLN 106 3.663 2.696 7.078 89 2HG GLN 106 HG1 GLN 106 4.122 4.241 6.361 90 1HE2 GLN 106 HE21 GLN 106 3.221 5.803 7.492 91 2HE2 GLN 106 HE22 GLN 106 1.582 5.852 8.034 92 H GLY 107 HN GLY 107 2.262 0.453 5.049 93 1HA GLY 107 HA2 GLY 107 3.139 -0.767 7.317 94 2HA GLY 107 HA1 GLY 107 2.109 -1.561 6.137 95 H LEU 108 HN LEU 108 3.723 -1.955 4.009 96 HA LEU 108 HA LEU 108 5.451 -4.052 4.969 97 1HB LEU 108 HB2 LEU 108 4.074 -4.439 3.012 98 2HB LEU 108 HB1 LEU 108 4.822 -3.089 2.180 99 HG LEU 108 HG LEU 108 6.711 -5.157 3.078 100 1HD1 LEU 108 HD11 LEU 108 4.345 -5.851 1.486 101 2HD1 LEU 108 HD12 LEU 108 5.446 -6.882 2.401 102 3HD1 LEU 108 HD13 LEU 108 5.887 -6.339 0.782 103 1HD2 LEU 108 HD21 LEU 108 7.900 -4.446 1.297 104 2HD2 LEU 108 HD22 LEU 108 6.836 -3.045 1.419 105 3HD2 LEU 108 HD23 LEU 108 6.479 -4.324 0.259 106 H ALA 109 HN ALA 109 5.807 -0.840 3.646 107 HA ALA 109 HA ALA 109 8.666 -1.122 3.270 108 1HB ALA 109 HB1 ALA 109 6.791 0.456 2.081 109 2HB ALA 109 HB2 ALA 109 8.532 0.731 2.015 110 3HB ALA 109 HB3 ALA 109 7.549 1.585 3.204 Start of MODEL 13 1 1H LYS 97 HT1 LYS 97 -5.354 5.073 -8.315 2 2H LYS 97 HT2 LYS 97 -5.839 4.408 -6.809 3 3H LYS 97 HT3 LYS 97 -6.810 4.176 -8.204 4 HA LYS 97 HA LYS 97 -5.201 2.829 -9.204 5 1HB LYS 97 HB2 LYS 97 -3.245 4.068 -8.438 6 2HB LYS 97 HB1 LYS 97 -3.527 3.536 -6.787 7 1HG LYS 97 HG2 LYS 97 -2.726 1.437 -7.176 8 2HG LYS 97 HG1 LYS 97 -3.176 1.462 -8.882 9 1HD LYS 97 HD2 LYS 97 -0.761 1.534 -8.653 10 2HD LYS 97 HD1 LYS 97 -1.354 3.057 -9.320 11 1HE LYS 97 HE2 LYS 97 -0.033 3.965 -7.736 12 2HE LYS 97 HE1 LYS 97 -1.408 3.629 -6.685 13 1HZ LYS 97 HZ1 LYS 97 -0.358 1.501 -6.110 14 2HZ LYS 97 HZ2 LYS 97 0.604 2.824 -5.679 15 3HZ LYS 97 HZ3 LYS 97 0.987 1.913 -7.051 16 H MET 98 HN MET 98 -4.828 2.580 -5.688 17 HA MET 98 HA MET 98 -6.876 0.641 -5.357 18 1HB MET 98 HB2 MET 98 -4.095 -0.289 -5.862 19 2HB MET 98 HB1 MET 98 -5.011 -1.115 -4.608 20 1HG MET 98 HG2 MET 98 -6.829 -1.098 -6.592 21 2HG MET 98 HG1 MET 98 -5.338 -1.147 -7.530 22 1HE MET 98 HE1 MET 98 -7.415 -3.884 -4.854 23 2HE MET 98 HE2 MET 98 -6.832 -2.291 -4.373 24 3HE MET 98 HE3 MET 98 -5.899 -3.731 -3.966 25 H VAL 99 HN VAL 99 -6.360 -0.610 -3.137 26 HA VAL 99 HA VAL 99 -5.580 1.506 -1.247 27 HB VAL 99 HB VAL 99 -7.284 -0.914 -0.657 28 1HG1 VAL 99 HG11 VAL 99 -6.411 -0.134 1.363 29 2HG1 VAL 99 HG12 VAL 99 -7.992 0.639 1.259 30 3HG1 VAL 99 HG13 VAL 99 -6.536 1.555 0.872 31 1HG2 VAL 99 HG21 VAL 99 -9.020 1.136 -0.554 32 2HG2 VAL 99 HG22 VAL 99 -8.778 0.138 -1.987 33 3HG2 VAL 99 HG23 VAL 99 -7.965 1.697 -1.851 34 H ASN 100 HN ASN 100 -5.079 -1.841 -2.142 35 HA ASN 100 HA ASN 100 -3.549 -2.582 0.132 36 1HB ASN 100 HB2 ASN 100 -4.684 -3.997 -1.841 37 2HB ASN 100 HB1 ASN 100 -3.034 -3.919 -2.477 38 1HD2 ASN 100 HD21 ASN 100 -4.439 -6.247 -1.617 39 2HD2 ASN 100 HD22 ASN 100 -3.545 -6.921 -0.280 40 H GLU 101 HN GLU 101 -2.780 -1.082 -2.936 41 HA GLU 101 HA GLU 101 0.029 -1.426 -2.815 42 1HB GLU 101 HB2 GLU 101 -1.594 0.694 -4.237 43 2HB GLU 101 HB1 GLU 101 0.107 0.352 -4.524 44 1HG GLU 101 HG2 GLU 101 -1.008 -2.103 -4.873 45 2HG GLU 101 HG1 GLU 101 -2.284 -1.042 -5.467 46 H ALA 102 HN ALA 102 -2.169 0.922 -1.450 47 HA ALA 102 HA ALA 102 -0.081 2.758 -0.697 48 1HB ALA 102 HB1 ALA 102 -3.017 2.637 -0.056 49 2HB ALA 102 HB2 ALA 102 -2.190 3.733 -1.163 50 3HB ALA 102 HB3 ALA 102 -1.940 3.882 0.577 51 H LEU 103 HN LEU 103 -0.908 -0.201 0.454 52 HA LEU 103 HA LEU 103 -0.420 0.475 3.257 53 1HB LEU 103 HB2 LEU 103 -2.112 -1.348 2.042 54 2HB LEU 103 HB1 LEU 103 -0.795 -2.349 2.625 55 HG LEU 103 HG LEU 103 -1.132 -1.365 4.899 56 1HD1 LEU 103 HD11 LEU 103 -2.883 0.044 5.412 57 2HD1 LEU 103 HD12 LEU 103 -3.789 -0.378 3.959 58 3HD1 LEU 103 HD13 LEU 103 -2.369 0.661 3.842 59 1HD2 LEU 103 HD21 LEU 103 -2.277 -3.491 3.845 60 2HD2 LEU 103 HD22 LEU 103 -3.740 -2.534 4.074 61 3HD2 LEU 103 HD23 LEU 103 -2.714 -2.920 5.455 62 H VAL 104 HN VAL 104 0.935 -1.224 0.520 63 HA VAL 104 HA VAL 104 3.093 -2.441 1.935 64 HB VAL 104 HB VAL 104 3.015 -1.772 -1.008 65 1HG1 VAL 104 HG11 VAL 104 4.785 -3.155 -1.276 66 2HG1 VAL 104 HG12 VAL 104 4.279 -4.234 0.023 67 3HG1 VAL 104 HG13 VAL 104 5.090 -2.715 0.404 68 1HG2 VAL 104 HG21 VAL 104 2.087 -4.051 -1.314 69 2HG2 VAL 104 HG22 VAL 104 0.983 -2.948 -0.492 70 3HG2 VAL 104 HG23 VAL 104 1.871 -4.158 0.433 71 H ARG 105 HN ARG 105 2.525 0.650 0.432 72 HA ARG 105 HA ARG 105 5.168 1.525 0.157 73 1HB ARG 105 HB2 ARG 105 4.137 3.810 0.222 74 2HB ARG 105 HB1 ARG 105 3.416 2.714 -0.945 75 1HG ARG 105 HG2 ARG 105 1.492 3.440 -0.074 76 2HG ARG 105 HG1 ARG 105 1.831 2.269 1.204 77 1HD ARG 105 HD2 ARG 105 1.215 4.453 2.112 78 2HD ARG 105 HD1 ARG 105 2.868 4.013 2.542 79 HE ARG 105 HE ARG 105 3.593 5.850 1.404 80 1HH1 ARG 105 HH11 ARG 105 0.382 5.065 0.285 81 2HH1 ARG 105 HH12 ARG 105 0.252 6.471 -0.717 82 1HH2 ARG 105 HH21 ARG 105 3.424 7.700 0.087 83 2HH2 ARG 105 HH22 ARG 105 1.979 7.967 -0.830 84 H GLN 106 HN GLN 106 3.099 1.260 2.933 85 HA GLN 106 HA GLN 106 5.215 2.479 4.585 86 1HB GLN 106 HB2 GLN 106 3.214 3.922 4.476 87 2HB GLN 106 HB1 GLN 106 2.239 2.607 5.094 88 1HG GLN 106 HG2 GLN 106 3.992 2.673 7.050 89 2HG GLN 106 HG1 GLN 106 4.213 4.330 6.487 90 1HE2 GLN 106 HE21 GLN 106 2.760 5.833 7.043 91 2HE2 GLN 106 HE22 GLN 106 1.303 5.524 7.917 92 H GLY 107 HN GLY 107 2.221 0.643 5.101 93 1HA GLY 107 HA2 GLY 107 2.904 -0.644 7.386 94 2HA GLY 107 HA1 GLY 107 1.839 -1.346 6.181 95 H LEU 108 HN LEU 108 3.710 -1.705 4.102 96 HA LEU 108 HA LEU 108 5.198 -3.969 5.202 97 1HB LEU 108 HB2 LEU 108 3.588 -3.974 3.119 98 2HB LEU 108 HB1 LEU 108 5.013 -3.395 2.278 99 HG LEU 108 HG LEU 108 6.244 -5.394 2.886 100 1HD1 LEU 108 HD11 LEU 108 3.777 -6.034 4.474 101 2HD1 LEU 108 HD12 LEU 108 5.450 -5.946 5.026 102 3HD1 LEU 108 HD13 LEU 108 4.933 -7.273 3.985 103 1HD2 LEU 108 HD21 LEU 108 5.227 -5.809 0.878 104 2HD2 LEU 108 HD22 LEU 108 3.601 -5.638 1.539 105 3HD2 LEU 108 HD23 LEU 108 4.531 -7.105 1.851 106 H ALA 109 HN ALA 109 5.672 -0.909 3.589 107 HA ALA 109 HA ALA 109 8.366 -1.269 2.824 108 1HB ALA 109 HB1 ALA 109 8.427 1.074 2.442 109 2HB ALA 109 HB2 ALA 109 7.079 1.355 3.544 110 3HB ALA 109 HB3 ALA 109 6.806 0.528 2.011 Start of MODEL 14 1 1H LYS 97 HT1 LYS 97 -6.347 3.444 -8.801 2 2H LYS 97 HT2 LYS 97 -5.245 4.748 -8.972 3 3H LYS 97 HT3 LYS 97 -6.454 4.797 -7.755 4 HA LYS 97 HA LYS 97 -4.038 3.153 -7.910 5 1HB LYS 97 HB2 LYS 97 -4.893 5.508 -6.550 6 2HB LYS 97 HB1 LYS 97 -4.678 4.245 -5.348 7 1HG LYS 97 HG2 LYS 97 -2.429 4.100 -5.695 8 2HG LYS 97 HG1 LYS 97 -2.542 4.629 -7.375 9 1HD LYS 97 HD2 LYS 97 -1.730 6.567 -6.560 10 2HD LYS 97 HD1 LYS 97 -3.408 6.848 -6.088 11 1HE LYS 97 HE2 LYS 97 -1.928 7.296 -4.221 12 2HE LYS 97 HE1 LYS 97 -2.931 5.887 -3.879 13 1HZ LYS 97 HZ1 LYS 97 -0.201 5.622 -4.984 14 2HZ LYS 97 HZ2 LYS 97 -1.138 4.448 -4.207 15 3HZ LYS 97 HZ3 LYS 97 -0.480 5.727 -3.318 16 H MET 98 HN MET 98 -4.127 2.340 -5.251 17 HA MET 98 HA MET 98 -6.580 0.913 -4.751 18 1HB MET 98 HB2 MET 98 -4.254 -0.396 -6.018 19 2HB MET 98 HB1 MET 98 -4.951 -1.256 -4.652 20 1HG MET 98 HG2 MET 98 -6.939 -0.277 -6.547 21 2HG MET 98 HG1 MET 98 -5.793 -1.418 -7.247 22 1HE MET 98 HE1 MET 98 -6.082 -4.562 -5.416 23 2HE MET 98 HE2 MET 98 -5.597 -3.486 -4.106 24 3HE MET 98 HE3 MET 98 -4.921 -3.270 -5.721 25 H VAL 99 HN VAL 99 -6.803 0.396 -2.630 26 HA VAL 99 HA VAL 99 -5.086 1.549 -0.738 27 HB VAL 99 HB VAL 99 -6.410 0.126 0.907 28 1HG1 VAL 99 HG11 VAL 99 -8.559 1.411 0.382 29 2HG1 VAL 99 HG12 VAL 99 -7.667 2.080 -0.985 30 3HG1 VAL 99 HG13 VAL 99 -7.090 2.348 0.660 31 1HG2 VAL 99 HG21 VAL 99 -6.948 -1.509 -1.083 32 2HG2 VAL 99 HG22 VAL 99 -8.314 -0.418 -1.311 33 3HG2 VAL 99 HG23 VAL 99 -8.102 -1.257 0.226 34 H ASN 100 HN ASN 100 -5.241 -1.659 -2.115 35 HA ASN 100 HA ASN 100 -3.658 -2.990 -0.189 36 1HB ASN 100 HB2 ASN 100 -5.135 -3.892 -2.194 37 2HB ASN 100 HB1 ASN 100 -3.591 -3.832 -3.057 38 1HD2 ASN 100 HD21 ASN 100 -1.732 -4.754 -1.639 39 2HD2 ASN 100 HD22 ASN 100 -2.071 -6.307 -0.923 40 H GLU 101 HN GLU 101 -2.887 -1.030 -2.976 41 HA GLU 101 HA GLU 101 -0.076 -1.733 -2.905 42 1HB GLU 101 HB2 GLU 101 -1.654 0.237 -4.561 43 2HB GLU 101 HB1 GLU 101 0.089 0.046 -4.694 44 1HG GLU 101 HG2 GLU 101 -0.487 -2.459 -5.081 45 2HG GLU 101 HG1 GLU 101 -2.087 -1.835 -5.479 46 H ALA 102 HN ALA 102 -2.171 0.831 -1.790 47 HA ALA 102 HA ALA 102 0.002 2.599 -1.115 48 1HB ALA 102 HB1 ALA 102 -1.944 3.804 0.122 49 2HB ALA 102 HB2 ALA 102 -2.964 2.686 -0.784 50 3HB ALA 102 HB3 ALA 102 -1.897 3.799 -1.641 51 H LEU 103 HN LEU 103 -1.028 -0.205 0.232 52 HA LEU 103 HA LEU 103 -0.602 0.662 2.992 53 1HB LEU 103 HB2 LEU 103 -2.343 -1.165 1.853 54 2HB LEU 103 HB1 LEU 103 -1.102 -2.180 2.565 55 HG LEU 103 HG LEU 103 -1.472 -0.917 4.730 56 1HD1 LEU 103 HD11 LEU 103 -4.161 -0.156 3.762 57 2HD1 LEU 103 HD12 LEU 103 -2.812 0.872 3.277 58 3HD1 LEU 103 HD13 LEU 103 -3.138 0.594 4.988 59 1HD2 LEU 103 HD21 LEU 103 -3.762 -2.091 5.074 60 2HD2 LEU 103 HD22 LEU 103 -2.330 -3.063 4.734 61 3HD2 LEU 103 HD23 LEU 103 -3.486 -2.716 3.448 62 H VAL 104 HN VAL 104 0.761 -1.304 0.446 63 HA VAL 104 HA VAL 104 2.797 -2.522 2.031 64 HB VAL 104 HB VAL 104 2.821 -2.066 -0.956 65 1HG1 VAL 104 HG11 VAL 104 4.331 -3.937 -1.041 66 2HG1 VAL 104 HG12 VAL 104 4.170 -4.197 0.696 67 3HG1 VAL 104 HG13 VAL 104 4.965 -2.743 0.092 68 1HG2 VAL 104 HG21 VAL 104 1.613 -4.027 -1.280 69 2HG2 VAL 104 HG22 VAL 104 0.768 -3.240 0.053 70 3HG2 VAL 104 HG23 VAL 104 1.873 -4.575 0.376 71 H ARG 105 HN ARG 105 2.457 0.467 0.268 72 HA ARG 105 HA ARG 105 5.146 1.189 0.049 73 1HB ARG 105 HB2 ARG 105 4.235 3.524 -0.087 74 2HB ARG 105 HB1 ARG 105 3.502 2.384 -1.203 75 1HG ARG 105 HG2 ARG 105 1.582 3.249 -0.465 76 2HG ARG 105 HG1 ARG 105 1.824 2.177 0.917 77 1HD ARG 105 HD2 ARG 105 1.274 4.484 1.580 78 2HD ARG 105 HD1 ARG 105 2.855 3.968 2.166 79 HE ARG 105 HE ARG 105 3.831 5.581 0.863 80 1HH1 ARG 105 HH11 ARG 105 0.518 5.155 -0.147 81 2HH1 ARG 105 HH12 ARG 105 0.533 6.526 -1.205 82 1HH2 ARG 105 HH21 ARG 105 3.853 7.384 -0.528 83 2HH2 ARG 105 HH22 ARG 105 2.427 7.791 -1.422 84 H GLN 106 HN GLN 106 2.912 1.335 2.722 85 HA GLN 106 HA GLN 106 4.979 2.650 4.364 86 1HB GLN 106 HB2 GLN 106 2.816 3.877 4.136 87 2HB GLN 106 HB1 GLN 106 2.011 2.528 4.907 88 1HG GLN 106 HG2 GLN 106 3.532 2.883 6.872 89 2HG GLN 106 HG1 GLN 106 4.048 4.382 6.099 90 1HE2 GLN 106 HE21 GLN 106 3.245 5.647 7.764 91 2HE2 GLN 106 HE22 GLN 106 1.552 5.898 8.001 92 H GLY 107 HN GLY 107 2.150 0.570 4.901 93 1HA GLY 107 HA2 GLY 107 2.911 -0.552 7.257 94 2HA GLY 107 HA1 GLY 107 1.919 -1.388 6.075 95 H LEU 108 HN LEU 108 3.596 -1.935 4.043 96 HA LEU 108 HA LEU 108 5.256 -3.995 5.181 97 1HB LEU 108 HB2 LEU 108 3.946 -4.460 3.190 98 2HB LEU 108 HB1 LEU 108 4.764 -3.177 2.319 99 HG LEU 108 HG LEU 108 6.473 -5.330 3.435 100 1HD1 LEU 108 HD11 LEU 108 5.829 -7.007 2.059 101 2HD1 LEU 108 HD12 LEU 108 5.251 -5.908 0.806 102 3HD1 LEU 108 HD13 LEU 108 4.261 -6.219 2.232 103 1HD2 LEU 108 HD21 LEU 108 6.480 -3.376 1.226 104 2HD2 LEU 108 HD22 LEU 108 7.243 -4.930 0.891 105 3HD2 LEU 108 HD23 LEU 108 7.802 -3.948 2.245 106 H ALA 109 HN ALA 109 5.716 -0.865 3.704 107 HA ALA 109 HA ALA 109 8.584 -1.209 3.464 108 1HB ALA 109 HB1 ALA 109 6.783 0.327 2.111 109 2HB ALA 109 HB2 ALA 109 8.531 0.566 2.097 110 3HB ALA 109 HB3 ALA 109 7.521 1.506 3.196 Start of MODEL 15 1 1H LYS 97 HT1 LYS 97 -4.098 5.650 -7.585 2 2H LYS 97 HT2 LYS 97 -5.493 4.666 -7.400 3 3H LYS 97 HT3 LYS 97 -4.132 4.075 -8.261 4 HA LYS 97 HA LYS 97 -2.936 3.689 -6.432 5 1HB LYS 97 HB2 LYS 97 -3.533 4.835 -4.233 6 2HB LYS 97 HB1 LYS 97 -2.873 5.858 -5.503 7 1HG LYS 97 HG2 LYS 97 -5.646 5.874 -5.864 8 2HG LYS 97 HG1 LYS 97 -5.379 6.050 -4.130 9 1HD LYS 97 HD2 LYS 97 -3.629 7.677 -5.850 10 2HD LYS 97 HD1 LYS 97 -5.341 8.105 -5.894 11 1HE LYS 97 HE2 LYS 97 -5.350 8.842 -3.753 12 2HE LYS 97 HE1 LYS 97 -4.181 7.634 -3.220 13 1HZ LYS 97 HZ1 LYS 97 -2.865 9.447 -3.113 14 2HZ LYS 97 HZ2 LYS 97 -3.735 10.309 -4.280 15 3HZ LYS 97 HZ3 LYS 97 -2.630 9.121 -4.757 16 H MET 98 HN MET 98 -3.247 1.826 -5.368 17 HA MET 98 HA MET 98 -6.019 0.975 -4.911 18 1HB MET 98 HB2 MET 98 -3.525 -0.414 -5.684 19 2HB MET 98 HB1 MET 98 -4.577 -1.292 -4.582 20 1HG MET 98 HG2 MET 98 -6.006 -0.093 -6.817 21 2HG MET 98 HG1 MET 98 -4.773 -1.250 -7.315 22 1HE MET 98 HE1 MET 98 -5.855 -4.494 -5.460 23 2HE MET 98 HE2 MET 98 -4.932 -3.260 -4.602 24 3HE MET 98 HE3 MET 98 -4.559 -3.628 -6.286 25 H VAL 99 HN VAL 99 -6.693 0.167 -2.942 26 HA VAL 99 HA VAL 99 -5.509 1.228 -0.632 27 HB VAL 99 HB VAL 99 -7.089 -0.372 0.563 28 1HG1 VAL 99 HG11 VAL 99 -9.098 0.898 -0.159 29 2HG1 VAL 99 HG12 VAL 99 -8.143 1.572 -1.480 30 3HG1 VAL 99 HG13 VAL 99 -7.702 1.917 0.193 31 1HG2 VAL 99 HG21 VAL 99 -8.535 -1.734 -0.591 32 2HG2 VAL 99 HG22 VAL 99 -7.079 -1.880 -1.575 33 3HG2 VAL 99 HG23 VAL 99 -8.382 -0.808 -2.085 34 H ASN 100 HN ASN 100 -5.188 -1.868 -2.226 35 HA ASN 100 HA ASN 100 -3.804 -3.099 -0.014 36 1HB ASN 100 HB2 ASN 100 -4.673 -3.929 -2.735 37 2HB ASN 100 HB1 ASN 100 -3.292 -4.785 -2.035 38 1HD2 ASN 100 HD21 ASN 100 -3.647 -5.512 0.267 39 2HD2 ASN 100 HD22 ASN 100 -5.202 -6.215 0.626 40 H GLU 101 HN GLU 101 -2.979 -1.441 -2.979 41 HA GLU 101 HA GLU 101 -0.179 -2.147 -2.815 42 1HB GLU 101 HB2 GLU 101 -1.797 -0.394 -4.647 43 2HB GLU 101 HB1 GLU 101 -0.040 -0.390 -4.701 44 1HG GLU 101 HG2 GLU 101 -0.549 -3.046 -4.815 45 2HG GLU 101 HG1 GLU 101 -1.957 -2.394 -5.651 46 H ALA 102 HN ALA 102 -2.249 0.519 -1.910 47 HA ALA 102 HA ALA 102 -0.060 2.308 -1.354 48 1HB ALA 102 HB1 ALA 102 -1.897 3.715 -0.320 49 2HB ALA 102 HB2 ALA 102 -3.021 2.472 -0.870 50 3HB ALA 102 HB3 ALA 102 -2.052 3.365 -2.042 51 H LEU 103 HN LEU 103 -1.134 -0.378 0.193 52 HA LEU 103 HA LEU 103 -0.698 0.687 2.881 53 1HB LEU 103 HB2 LEU 103 -2.470 -1.188 1.880 54 2HB LEU 103 HB1 LEU 103 -1.248 -2.171 2.665 55 HG LEU 103 HG LEU 103 -1.594 -0.757 4.734 56 1HD1 LEU 103 HD11 LEU 103 -2.667 1.173 4.212 57 2HD1 LEU 103 HD12 LEU 103 -4.075 0.188 4.610 58 3HD1 LEU 103 HD13 LEU 103 -3.616 0.430 2.925 59 1HD2 LEU 103 HD21 LEU 103 -3.138 -2.230 5.508 60 2HD2 LEU 103 HD22 LEU 103 -2.752 -3.036 3.987 61 3HD2 LEU 103 HD23 LEU 103 -4.195 -2.029 4.110 62 H VAL 104 HN VAL 104 0.645 -1.476 0.491 63 HA VAL 104 HA VAL 104 2.656 -2.599 2.181 64 HB VAL 104 HB VAL 104 2.703 -2.400 -0.834 65 1HG1 VAL 104 HG11 VAL 104 4.005 -4.367 1.046 66 2HG1 VAL 104 HG12 VAL 104 4.824 -3.039 0.224 67 3HG1 VAL 104 HG13 VAL 104 4.131 -4.363 -0.713 68 1HG2 VAL 104 HG21 VAL 104 1.665 -4.750 0.710 69 2HG2 VAL 104 HG22 VAL 104 1.459 -4.367 -0.999 70 3HG2 VAL 104 HG23 VAL 104 0.606 -3.426 0.225 71 H ARG 105 HN ARG 105 2.359 0.243 0.186 72 HA ARG 105 HA ARG 105 5.057 0.900 -0.104 73 1HB ARG 105 HB2 ARG 105 4.181 3.238 -0.398 74 2HB ARG 105 HB1 ARG 105 3.434 2.032 -1.432 75 1HG ARG 105 HG2 ARG 105 1.526 2.972 -0.758 76 2HG ARG 105 HG1 ARG 105 1.752 1.996 0.695 77 1HD ARG 105 HD2 ARG 105 1.237 4.321 1.237 78 2HD ARG 105 HD1 ARG 105 2.848 3.868 1.794 79 HE ARG 105 HE ARG 105 3.733 5.429 0.378 80 1HH1 ARG 105 HH11 ARG 105 0.439 4.791 -0.582 81 2HH1 ARG 105 HH12 ARG 105 0.403 6.064 -1.755 82 1HH2 ARG 105 HH21 ARG 105 3.687 7.104 -1.164 83 2HH2 ARG 105 HH22 ARG 105 2.246 7.377 -2.086 84 H GLN 106 HN GLN 106 2.860 1.260 2.575 85 HA GLN 106 HA GLN 106 4.989 2.607 4.111 86 1HB GLN 106 HB2 GLN 106 2.945 3.984 3.756 87 2HB GLN 106 HB1 GLN 106 2.013 2.768 4.602 88 1HG GLN 106 HG2 GLN 106 3.615 3.150 6.548 89 2HG GLN 106 HG1 GLN 106 4.115 4.604 5.684 90 1HE2 GLN 106 HE21 GLN 106 1.316 2.946 7.042 91 2HE2 GLN 106 HE22 GLN 106 0.411 4.375 7.392 92 H GLY 107 HN GLY 107 2.000 0.807 4.781 93 1HA GLY 107 HA2 GLY 107 2.687 -0.165 7.237 94 2HA GLY 107 HA1 GLY 107 1.595 -0.994 6.140 95 H LEU 108 HN LEU 108 3.851 -1.264 4.156 96 HA LEU 108 HA LEU 108 5.209 -3.511 5.495 97 1HB LEU 108 HB2 LEU 108 3.655 -4.189 3.716 98 2HB LEU 108 HB1 LEU 108 4.527 -3.187 2.573 99 HG LEU 108 HG LEU 108 6.070 -5.280 4.015 100 1HD1 LEU 108 HD11 LEU 108 5.173 -7.077 2.990 101 2HD1 LEU 108 HD12 LEU 108 4.730 -6.169 1.545 102 3HD1 LEU 108 HD13 LEU 108 3.719 -6.080 2.988 103 1HD2 LEU 108 HD21 LEU 108 7.486 -4.253 2.584 104 2HD2 LEU 108 HD22 LEU 108 6.194 -3.745 1.496 105 3HD2 LEU 108 HD23 LEU 108 6.795 -5.402 1.438 106 H ALA 109 HN ALA 109 5.599 -0.752 3.365 107 HA ALA 109 HA ALA 109 8.490 -0.874 3.834 108 1HB ALA 109 HB1 ALA 109 9.098 -0.913 1.658 109 2HB ALA 109 HB2 ALA 109 7.692 0.014 1.135 110 3HB ALA 109 HB3 ALA 109 7.537 -1.711 1.467
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