NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8121 | 1lm2 | 4743 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 HN ALA 1 4.113 -7.939 12.203 2 HA ALA 1 HA ALA 1 4.899 -8.851 10.100 3 1HB ALA 1 1HB ALA 1 2.920 -8.952 8.823 4 2HB ALA 1 2HB ALA 1 2.518 -7.247 9.140 5 3HB ALA 1 3HB ALA 1 3.856 -7.656 8.040 6 H ASP 2 HN ASP 2 6.020 -7.318 8.290 7 HA ASP 2 HA ASP 2 6.547 -4.734 9.462 8 1HB ASP 2 2HB ASP 2 9.034 -5.114 9.199 9 2HB ASP 2 3HB ASP 2 8.298 -6.068 10.471 10 H VAL 3 HN VAL 3 7.286 -7.196 6.897 11 HA VAL 3 HA VAL 3 7.048 -5.055 4.912 12 HB VAL 3 HB VAL 3 9.211 -7.160 5.084 13 1HG1 VAL 3 1HG VAL 3 8.831 -7.143 2.807 14 2HG1 VAL 3 2HG VAL 3 8.270 -5.454 2.800 15 3HG1 VAL 3 3HG VAL 3 10.005 -5.814 2.961 16 1HG2 VAL 3 1HG VAL 3 10.411 -4.709 4.684 17 2HG2 VAL 3 2HG VAL 3 9.050 -4.304 5.758 18 3HG2 VAL 3 3HG VAL 3 10.237 -5.536 6.251 19 H VAL 4 HN VAL 4 4.790 -6.057 5.056 20 HA VAL 4 HA VAL 4 4.273 -8.673 4.375 21 HB VAL 4 HB VAL 4 2.752 -6.118 3.840 22 1HG1 VAL 4 1HG VAL 4 0.944 -8.270 4.007 23 2HG1 VAL 4 2HG VAL 4 1.335 -7.289 2.574 24 3HG1 VAL 4 3HG VAL 4 2.223 -8.800 2.888 25 1HG2 VAL 4 1HG VAL 4 3.162 -6.584 6.207 26 2HG2 VAL 4 2HG VAL 4 1.439 -6.800 5.812 27 3HG2 VAL 4 3HG VAL 4 2.491 -8.222 6.016 28 H THR 5 HN THR 5 3.911 -9.788 2.414 29 HA THR 5 HA THR 5 4.600 -8.333 -0.033 30 HB THR 5 HB THR 5 5.901 -10.900 1.016 31 HG1 THR 5 HG1 THR 5 6.802 -8.234 0.172 32 1HG2 THR 5 1HG THR 5 7.361 -10.433 -1.119 33 2HG2 THR 5 2HG THR 5 5.803 -11.264 -1.347 34 3HG2 THR 5 3HG THR 5 5.945 -9.526 -1.703 35 H TYR 6 HN TYR 6 3.593 -9.065 -1.906 36 HA TYR 6 HA TYR 6 1.789 -11.347 -1.554 37 1HB TYR 6 2HB TYR 6 1.288 -8.419 -2.167 38 2HB TYR 6 3HB TYR 6 0.343 -9.565 -3.097 39 HD1 TYR 6 HD1 TYR 6 -1.750 -10.110 -2.270 40 HD2 TYR 6 HD2 TYR 6 1.330 -9.012 0.489 41 HE1 TYR 6 HE1 TYR 6 -3.396 -10.309 -0.343 42 HE2 TYR 6 HE2 TYR 6 -0.327 -9.215 2.407 43 HH TYR 6 HH TYR 6 -2.622 -9.168 2.812 44 H GLU 7 HN GLU 7 2.358 -12.800 -3.092 45 HA GLU 7 HA GLU 7 3.655 -11.836 -5.457 46 1HB GLU 7 2HB GLU 7 2.962 -14.660 -4.537 47 2HB GLU 7 3HB GLU 7 3.902 -14.289 -5.968 48 1HG GLU 7 2HG GLU 7 5.779 -14.103 -4.714 49 2HG GLU 7 3HG GLU 7 5.053 -12.801 -3.792 50 H ASN 8 HN ASN 8 2.515 -11.193 -7.229 51 HA ASN 8 HA ASN 8 -0.183 -12.210 -7.481 52 1HB ASN 8 2HB ASN 8 1.318 -9.887 -8.784 53 2HB ASN 8 3HB ASN 8 -0.274 -10.378 -9.326 54 1HD2 ASN 8 1HD ASN 8 1.051 -8.046 -7.759 55 2HD2 ASN 8 2HD ASN 8 -0.050 -7.729 -6.460 56 H LYS 9 HN LYS 9 -0.798 -12.342 -10.064 57 HA LYS 9 HA LYS 9 1.035 -14.303 -11.130 58 1HB LYS 9 2HB LYS 9 -1.802 -13.709 -11.318 59 2HB LYS 9 3HB LYS 9 -1.103 -13.922 -12.911 60 1HG LYS 9 2HG LYS 9 -0.268 -16.118 -12.371 61 2HG LYS 9 3HG LYS 9 -0.519 -15.879 -10.653 62 1HD LYS 9 2HD LYS 9 -2.930 -15.648 -12.444 63 2HD LYS 9 3HD LYS 9 -2.271 -17.252 -12.189 64 1HE LYS 9 2HE LYS 9 -2.401 -15.829 -9.645 65 2HE LYS 9 3HE LYS 9 -3.966 -15.775 -10.432 66 1HZ LYS 9 1HZ LYS 9 -4.121 -17.784 -9.491 67 2HZ LYS 9 2HZ LYS 9 -3.330 -18.292 -10.827 68 3HZ LYS 9 3HZ LYS 9 -2.510 -18.049 -9.436 69 H LYS 10 HN LYS 10 0.102 -10.924 -11.592 70 HA LYS 10 HA LYS 10 1.955 -10.843 -13.870 71 1HB LYS 10 2HB LYS 10 0.513 -8.813 -14.565 72 2HB LYS 10 3HB LYS 10 -0.077 -10.427 -14.903 73 1HG LYS 10 2HG LYS 10 -1.518 -10.375 -12.903 74 2HG LYS 10 3HG LYS 10 -0.847 -8.831 -12.415 75 1HD LYS 10 2HD LYS 10 -2.740 -8.053 -13.499 76 2HD LYS 10 3HD LYS 10 -1.654 -8.094 -14.874 77 1HE LYS 10 2HE LYS 10 -2.522 -10.625 -15.071 78 2HE LYS 10 3HE LYS 10 -3.883 -10.005 -14.159 79 1HZ LYS 10 1HZ LYS 10 -3.965 -9.858 -16.664 80 2HZ LYS 10 2HZ LYS 10 -4.392 -8.519 -15.833 81 3HZ LYS 10 3HZ LYS 10 -2.922 -8.607 -16.540 82 H GLY 11 HN GLY 11 3.433 -10.669 -11.846 83 1HA GLY 11 1HA GLY 11 5.001 -8.929 -11.338 84 2HA GLY 11 2HA GLY 11 3.671 -7.796 -11.200 85 H ASN 12 HN ASN 12 4.489 -7.258 -9.030 86 HA ASN 12 HA ASN 12 3.299 -9.014 -7.099 87 1HB ASN 12 2HB ASN 12 6.213 -8.119 -6.802 88 2HB ASN 12 3HB ASN 12 5.317 -9.108 -5.666 89 1HD2 ASN 12 1HD ASN 12 5.506 -11.209 -5.809 90 2HD2 ASN 12 2HD ASN 12 6.060 -12.122 -7.173 91 H VAL 13 HN VAL 13 3.063 -7.842 -4.955 92 HA VAL 13 HA VAL 13 3.513 -4.953 -5.213 93 HB VAL 13 HB VAL 13 1.190 -5.437 -5.718 94 1HG1 VAL 13 1HG VAL 13 -0.103 -6.927 -4.640 95 2HG1 VAL 13 2HG VAL 13 1.422 -7.539 -3.956 96 3HG1 VAL 13 3HG VAL 13 0.435 -6.378 -3.035 97 1HG2 VAL 13 1HG VAL 13 2.096 -3.571 -3.948 98 2HG2 VAL 13 2HG VAL 13 0.422 -3.666 -4.545 99 3HG2 VAL 13 3HG VAL 13 0.849 -4.386 -2.974 100 H THR 14 HN THR 14 5.536 -5.866 -4.040 101 HA THR 14 HA THR 14 5.326 -6.921 -1.465 102 HB THR 14 HB THR 14 7.413 -5.441 -3.096 103 HG1 THR 14 HG1 THR 14 7.625 -7.617 -3.453 104 1HG2 THR 14 1HG THR 14 8.977 -6.239 -1.133 105 2HG2 THR 14 2HG THR 14 8.127 -4.687 -0.945 106 3HG2 THR 14 3HG THR 14 7.506 -6.146 -0.135 107 H PHE 15 HN PHE 15 3.915 -6.014 -0.037 108 HA PHE 15 HA PHE 15 3.705 -3.193 0.218 109 1HB PHE 15 2HB PHE 15 2.856 -5.621 1.906 110 2HB PHE 15 3HB PHE 15 2.345 -3.987 2.282 111 HD1 PHE 15 HD1 PHE 15 1.198 -2.712 0.251 112 HD2 PHE 15 HD2 PHE 15 1.458 -6.931 0.622 113 HE1 PHE 15 HE1 PHE 15 -0.759 -2.968 -1.300 114 HE2 PHE 15 HE2 PHE 15 -0.500 -7.188 -0.929 115 HZ PHE 15 HZ PHE 15 -1.585 -5.203 -1.871 116 H ASP 16 HN ASP 16 3.754 -2.383 2.726 117 HA ASP 16 HA ASP 16 6.140 -3.403 3.983 118 1HB ASP 16 2HB ASP 16 5.804 -0.659 2.783 119 2HB ASP 16 3HB ASP 16 6.653 -0.766 4.313 120 H HIS 17 HN HIS 17 5.909 -3.279 6.260 121 HA HIS 17 HA HIS 17 3.553 -1.809 7.187 122 1HB HIS 17 2HB HIS 17 4.189 -4.500 7.457 123 2HB HIS 17 3HB HIS 17 4.648 -3.823 9.007 124 HD1 HIS 17 HD1 HIS 17 2.751 -4.551 10.495 125 HD2 HIS 17 HD2 HIS 17 1.411 -2.795 6.929 126 HE1 HIS 17 HE1 HIS 17 0.219 -4.328 10.715 127 H LYS 18 HN LYS 18 6.821 -2.941 8.322 128 HA LYS 18 HA LYS 18 6.914 -0.792 10.224 129 1HB LYS 18 2HB LYS 18 7.955 -3.299 10.179 130 2HB LYS 18 3HB LYS 18 9.347 -2.386 9.633 131 1HG LYS 18 2HG LYS 18 8.634 -0.768 11.670 132 2HG LYS 18 3HG LYS 18 7.893 -2.239 12.269 133 1HD LYS 18 2HD LYS 18 10.031 -2.453 13.179 134 2HD LYS 18 3HD LYS 18 10.242 -3.336 11.680 135 1HE LYS 18 2HE LYS 18 11.302 -1.431 10.602 136 2HE LYS 18 3HE LYS 18 10.852 -0.356 11.911 137 1HZ LYS 18 1HZ LYS 18 12.386 -1.323 13.306 138 2HZ LYS 18 2HZ LYS 18 12.517 -2.698 12.435 139 3HZ LYS 18 3HZ LYS 18 13.182 -1.313 11.881 140 H ALA 19 HN ALA 19 8.669 -1.721 7.189 141 HA ALA 19 HA ALA 19 10.340 0.483 7.103 142 1HB ALA 19 1HB ALA 19 9.898 -1.779 5.602 143 2HB ALA 19 2HB ALA 19 9.321 -0.501 4.505 144 3HB ALA 19 3HB ALA 19 10.985 -0.449 5.137 145 H HIS 20 HN HIS 20 6.884 0.136 6.434 146 HA HIS 20 HA HIS 20 6.809 2.698 5.097 147 1HB HIS 20 2HB HIS 20 5.099 0.343 5.296 148 2HB HIS 20 3HB HIS 20 4.193 1.822 5.545 149 HD1 HIS 20 HD1 HIS 20 7.139 1.409 3.147 150 HD2 HIS 20 HD2 HIS 20 2.993 2.045 3.071 151 HE1 HIS 20 HE1 HIS 20 6.532 1.873 0.713 152 H ALA 21 HN ALA 21 5.509 1.125 8.098 153 HA ALA 21 HA ALA 21 4.133 3.129 9.214 154 1HB ALA 21 1HB ALA 21 5.902 0.954 10.244 155 2HB ALA 21 2HB ALA 21 5.421 2.214 11.406 156 3HB ALA 21 3HB ALA 21 4.178 1.268 10.552 157 H GLU 22 HN GLU 22 7.634 3.013 8.642 158 HA GLU 22 HA GLU 22 8.490 4.881 10.416 159 1HB GLU 22 2HB GLU 22 9.413 4.445 7.541 160 2HB GLU 22 3HB GLU 22 10.321 5.330 8.751 161 1HG GLU 22 2HG GLU 22 9.588 2.824 9.942 162 2HG GLU 22 3HG GLU 22 10.178 2.462 8.332 163 H LYS 23 HN LYS 23 7.357 5.458 7.006 164 HA LYS 23 HA LYS 23 7.271 8.299 7.536 165 1HB LYS 23 2HB LYS 23 6.803 6.605 5.074 166 2HB LYS 23 3HB LYS 23 6.496 8.330 5.103 167 1HG LYS 23 2HG LYS 23 9.166 7.293 6.088 168 2HG LYS 23 3HG LYS 23 8.877 7.399 4.363 169 1HD LYS 23 2HD LYS 23 8.314 9.771 6.180 170 2HD LYS 23 3HD LYS 23 9.933 9.464 5.583 171 1HE LYS 23 2HE LYS 23 9.391 10.463 3.621 172 2HE LYS 23 3HE LYS 23 8.192 9.220 3.324 173 1HZ LYS 23 1HZ LYS 23 7.044 11.219 3.354 174 2HZ LYS 23 2HZ LYS 23 6.719 10.574 4.819 175 3HZ LYS 23 3HZ LYS 23 7.808 11.784 4.683 176 H LEU 24 HN LEU 24 5.006 5.582 6.774 177 HA LEU 24 HA LEU 24 2.694 7.143 6.817 178 1HB LEU 24 2HB LEU 24 3.196 4.209 7.300 179 2HB LEU 24 3HB LEU 24 1.589 4.910 7.270 180 HG LEU 24 HG LEU 24 2.273 5.807 4.919 181 1HD1 LEU 24 1HD LEU 24 4.536 5.392 4.707 182 2HD1 LEU 24 2HD LEU 24 4.430 3.797 5.491 183 3HD1 LEU 24 3HD LEU 24 3.823 4.016 3.832 184 1HD2 LEU 24 1HD LEU 24 0.917 3.536 5.834 185 2HD2 LEU 24 2HD LEU 24 0.820 4.280 4.220 186 3HD2 LEU 24 3HD LEU 24 1.970 2.956 4.522 187 H GLY 25 HN GLY 25 2.655 4.583 9.218 188 1HA GLY 25 1HA GLY 25 3.243 5.175 11.576 189 2HA GLY 25 2HA GLY 25 2.321 6.642 11.315 190 H CYS 26 HN CYS 26 1.489 3.418 9.958 191 HA CYS 26 HA CYS 26 -0.223 2.081 10.265 192 1HB CYS 26 2HB CYS 26 -1.018 3.075 12.935 193 2HB CYS 26 3HB CYS 26 -0.791 1.436 12.356 194 H ASP 27 HN ASP 27 -1.344 4.871 12.308 195 HA ASP 27 HA ASP 27 -3.859 4.998 11.577 196 1HB ASP 27 2HB ASP 27 -2.402 6.612 13.042 197 2HB ASP 27 3HB ASP 27 -2.200 7.548 11.574 198 H ALA 28 HN ALA 28 -1.023 5.900 9.608 199 HA ALA 28 HA ALA 28 -2.096 7.499 7.684 200 1HB ALA 28 1HB ALA 28 -0.066 7.177 6.756 201 2HB ALA 28 2HB ALA 28 0.270 6.084 8.120 202 3HB ALA 28 3HB ALA 28 -0.339 5.427 6.583 203 H CYS 29 HN CYS 29 -2.436 3.954 8.122 204 HA CYS 29 HA CYS 29 -4.222 3.960 5.802 205 1HB CYS 29 2HB CYS 29 -3.183 1.432 7.012 206 2HB CYS 29 3HB CYS 29 -3.693 1.760 5.368 207 H HIS 30 HN HIS 30 -3.699 2.392 9.053 208 HA HIS 30 HA HIS 30 -6.476 1.788 9.273 209 1HB HIS 30 2HB HIS 30 -4.378 1.664 11.449 210 2HB HIS 30 3HB HIS 30 -5.897 0.793 11.374 211 HD1 HIS 30 HD1 HIS 30 -6.023 -1.307 9.825 212 HD2 HIS 30 HD2 HIS 30 -2.279 0.585 9.877 213 HE1 HIS 30 HE1 HIS 30 -4.388 -2.925 8.721 214 H GLU 31 HN GLU 31 -7.538 2.431 11.552 215 HA GLU 31 HA GLU 31 -6.832 5.108 12.297 216 1HB GLU 31 2HB GLU 31 -9.055 4.533 10.473 217 2HB GLU 31 3HB GLU 31 -9.622 5.324 11.930 218 1HG GLU 31 2HG GLU 31 -7.162 6.600 11.030 219 2HG GLU 31 3HG GLU 31 -8.299 6.522 9.699 220 H GLY 32 HN GLY 32 -6.431 4.299 14.395 221 1HA GLY 32 1HA GLY 32 -6.958 3.726 16.503 222 2HA GLY 32 2HA GLY 32 -8.623 4.135 16.141 223 H THR 33 HN THR 33 -6.338 1.574 16.679 224 HA THR 33 HA THR 33 -6.581 -0.625 16.908 225 HB THR 33 HB THR 33 -9.580 -0.047 16.651 226 HG1 THR 33 HG1 THR 33 -9.112 0.966 18.562 227 1HG2 THR 33 1HG THR 33 -8.082 -2.220 18.203 228 2HG2 THR 33 2HG THR 33 -9.846 -2.034 18.061 229 3HG2 THR 33 3HG THR 33 -8.884 -2.505 16.639 230 HA PRO 34 HA PRO 34 -6.593 -1.484 12.610 231 1HB PRO 34 2HB PRO 34 -4.572 -3.323 12.669 232 2HB PRO 34 3HB PRO 34 -4.297 -1.603 12.471 233 1HG PRO 34 2HG PRO 34 -3.862 -3.286 14.862 234 2HG PRO 34 3HG PRO 34 -3.213 -1.698 14.504 235 1HD PRO 34 2HD PRO 34 -5.364 -2.308 16.301 236 2HD PRO 34 3HD PRO 34 -4.791 -0.713 15.855 237 H ALA 35 HN ALA 35 -6.295 -3.832 11.399 238 HA ALA 35 HA ALA 35 -7.273 -6.050 12.659 239 1HB ALA 35 1HB ALA 35 -9.317 -4.008 12.318 240 2HB ALA 35 2HB ALA 35 -9.725 -5.471 11.389 241 3HB ALA 35 3HB ALA 35 -9.420 -5.584 13.139 242 H LYS 36 HN LYS 36 -8.023 -4.049 9.715 243 HA LYS 36 HA LYS 36 -6.422 -5.559 8.028 244 1HB LYS 36 2HB LYS 36 -7.812 -7.083 6.956 245 2HB LYS 36 3HB LYS 36 -8.224 -7.290 8.647 246 1HG LYS 36 2HG LYS 36 -10.374 -6.663 8.276 247 2HG LYS 36 3HG LYS 36 -9.866 -5.171 7.509 248 1HD LYS 36 2HD LYS 36 -10.538 -6.012 5.515 249 2HD LYS 36 3HD LYS 36 -9.262 -7.208 5.623 250 1HE LYS 36 2HE LYS 36 -11.284 -8.467 5.355 251 2HE LYS 36 3HE LYS 36 -10.860 -8.633 7.047 252 1HZ LYS 36 1HZ LYS 36 -12.973 -7.978 7.280 253 2HZ LYS 36 2HZ LYS 36 -12.349 -6.474 7.152 254 3HZ LYS 36 3HZ LYS 36 -13.042 -7.184 5.855 255 H ILE 37 HN ILE 37 -7.115 -5.084 5.607 256 HA ILE 37 HA ILE 37 -8.490 -2.501 5.525 257 HB ILE 37 HB ILE 37 -5.753 -3.146 4.444 258 1HG1 ILE 37 2HG ILE 37 -6.802 -1.025 6.337 259 2HG1 ILE 37 3HG ILE 37 -5.768 -2.381 6.743 260 1HG2 ILE 37 1HG ILE 37 -6.433 -2.015 2.611 261 2HG2 ILE 37 2HG ILE 37 -7.783 -1.222 3.458 262 3HG2 ILE 37 3HG ILE 37 -6.125 -0.603 3.650 263 1HD1 ILE 37 1HD ILE 37 -5.036 0.224 5.655 264 2HD1 ILE 37 2HD ILE 37 -3.986 -1.049 6.322 265 3HD1 ILE 37 3HD ILE 37 -4.442 -1.083 4.602 266 H ALA 38 HN ALA 38 -8.689 -5.617 4.742 267 HA ALA 38 HA ALA 38 -9.356 -6.822 2.973 268 1HB ALA 38 1HB ALA 38 -11.322 -4.961 1.971 269 2HB ALA 38 2HB ALA 38 -11.561 -6.403 2.986 270 3HB ALA 38 3HB ALA 38 -11.233 -4.826 3.744 271 H ILE 39 HN ILE 39 -7.458 -6.800 1.654 272 HA ILE 39 HA ILE 39 -7.690 -4.950 -0.617 273 HB ILE 39 HB ILE 39 -5.222 -5.901 0.832 274 1HG1 ILE 39 2HG ILE 39 -6.609 -3.900 1.667 275 2HG1 ILE 39 3HG ILE 39 -4.880 -3.693 1.472 276 1HG2 ILE 39 1HG ILE 39 -5.580 -4.936 -1.953 277 2HG2 ILE 39 2HG ILE 39 -4.228 -4.240 -1.028 278 3HG2 ILE 39 3HG ILE 39 -4.341 -6.003 -1.249 279 1HD1 ILE 39 1HD ILE 39 -6.477 -3.089 -0.969 280 2HD1 ILE 39 2HD ILE 39 -6.757 -1.998 0.408 281 3HD1 ILE 39 3HD ILE 39 -5.115 -2.197 -0.250 282 H ASP 40 HN ASP 40 -7.360 -5.828 -2.690 283 HA ASP 40 HA ASP 40 -6.407 -8.430 -3.035 284 1HB ASP 40 2HB ASP 40 -8.750 -8.843 -2.065 285 2HB ASP 40 3HB ASP 40 -9.403 -8.083 -3.504 286 H LYS 41 HN LYS 41 -9.113 -6.405 -4.426 287 HA LYS 41 HA LYS 41 -7.580 -5.274 -6.457 288 1HB LYS 41 2HB LYS 41 -7.480 -7.675 -7.216 289 2HB LYS 41 3HB LYS 41 -9.217 -7.627 -7.441 290 1HG LYS 41 2HG LYS 41 -8.525 -5.355 -8.800 291 2HG LYS 41 3HG LYS 41 -7.056 -6.285 -9.025 292 1HD LYS 41 2HD LYS 41 -8.147 -7.281 -10.761 293 2HD LYS 41 3HD LYS 41 -9.001 -8.197 -9.536 294 1HE LYS 41 2HE LYS 41 -10.204 -5.541 -9.891 295 2HE LYS 41 3HE LYS 41 -10.138 -6.409 -11.412 296 1HZ LYS 41 1HZ LYS 41 -12.103 -7.046 -10.371 297 2HZ LYS 41 2HZ LYS 41 -11.105 -8.320 -10.149 298 3HZ LYS 41 3HZ LYS 41 -11.397 -7.288 -8.918 299 H LYS 42 HN LYS 42 -8.821 -3.553 -5.429 300 HA LYS 42 HA LYS 42 -10.946 -2.693 -6.891 301 1HB LYS 42 2HB LYS 42 -12.797 -3.063 -5.079 302 2HB LYS 42 3HB LYS 42 -12.483 -4.289 -6.290 303 1HG LYS 42 2HG LYS 42 -11.807 -5.797 -4.725 304 2HG LYS 42 3HG LYS 42 -10.712 -4.647 -3.984 305 1HD LYS 42 2HD LYS 42 -12.508 -3.682 -2.641 306 2HD LYS 42 3HD LYS 42 -13.727 -4.585 -3.518 307 1HE LYS 42 2HE LYS 42 -12.582 -6.733 -2.697 308 2HE LYS 42 3HE LYS 42 -11.585 -5.727 -1.666 309 1HZ LYS 42 1HZ LYS 42 -13.286 -6.070 -0.274 310 2HZ LYS 42 2HZ LYS 42 -13.966 -4.806 -1.053 311 3HZ LYS 42 3HZ LYS 42 -14.390 -6.333 -1.449 312 H SER 43 HN SER 43 -9.840 -2.999 -3.453 313 HA SER 43 HA SER 43 -10.285 -0.166 -3.150 314 1HB SER 43 2HB SER 43 -10.589 -2.302 -1.426 315 2HB SER 43 3HB SER 43 -9.026 -1.687 -0.924 316 HG SER 43 HG SER 43 -10.114 0.492 -0.842 317 H ALA 44 HN ALA 44 -7.644 -2.627 -3.126 318 HA ALA 44 HA ALA 44 -5.559 -0.962 -2.387 319 1HB ALA 44 1HB ALA 44 -4.633 -2.866 -4.305 320 2HB ALA 44 2HB ALA 44 -4.564 -2.969 -2.529 321 3HB ALA 44 3HB ALA 44 -5.969 -3.622 -3.404 322 H HIS 45 HN HIS 45 -7.531 -0.977 -5.248 323 HA HIS 45 HA HIS 45 -5.485 0.488 -6.721 324 1HB HIS 45 2HB HIS 45 -7.926 -1.067 -7.479 325 2HB HIS 45 3HB HIS 45 -7.432 0.252 -8.521 326 HD1 HIS 45 HD1 HIS 45 -7.142 -2.040 -10.124 327 HD2 HIS 45 HD2 HIS 45 -4.251 -1.288 -7.179 328 HE1 HIS 45 HE1 HIS 45 -5.083 -3.397 -10.780 329 H LYS 46 HN LYS 46 -7.654 1.170 -4.388 330 HA LYS 46 HA LYS 46 -8.534 3.647 -5.700 331 1HB LYS 46 2HB LYS 46 -9.971 1.669 -4.163 332 2HB LYS 46 3HB LYS 46 -10.032 3.214 -3.340 333 1HG LYS 46 2HG LYS 46 -10.426 3.416 -6.278 334 2HG LYS 46 3HG LYS 46 -11.657 2.468 -5.469 335 1HD LYS 46 2HD LYS 46 -12.632 4.345 -4.654 336 2HD LYS 46 3HD LYS 46 -11.140 4.820 -3.866 337 1HE LYS 46 2HE LYS 46 -10.333 5.828 -6.019 338 2HE LYS 46 3HE LYS 46 -11.837 5.367 -6.793 339 1HZ LYS 46 1HZ LYS 46 -12.317 7.456 -6.124 340 2HZ LYS 46 2HZ LYS 46 -12.827 6.666 -4.789 341 3HZ LYS 46 3HZ LYS 46 -11.373 7.410 -4.792 342 H ASP 47 HN ASP 47 -9.248 4.976 -3.247 343 HA ASP 47 HA ASP 47 -7.091 6.380 -2.696 344 1HB ASP 47 2HB ASP 47 -9.408 5.516 -0.957 345 2HB ASP 47 3HB ASP 47 -8.128 6.462 -0.225 346 H ALA 48 HN ALA 48 -7.844 3.089 -1.584 347 HA ALA 48 HA ALA 48 -6.417 2.702 0.641 348 1HB ALA 48 1HB ALA 48 -6.106 0.824 -1.714 349 2HB ALA 48 2HB ALA 48 -6.298 0.432 0.012 350 3HB ALA 48 3HB ALA 48 -7.682 1.053 -0.918 351 H CYS 49 HN CYS 49 -4.952 2.385 -2.678 352 HA CYS 49 HA CYS 49 -2.371 2.898 -1.419 353 1HB CYS 49 2HB CYS 49 -3.130 1.626 -4.050 354 2HB CYS 49 3HB CYS 49 -1.487 2.097 -3.664 355 H LYS 50 HN LYS 50 -4.075 3.597 -4.569 356 HA LYS 50 HA LYS 50 -2.540 5.809 -5.213 357 1HB LYS 50 2HB LYS 50 -5.343 4.985 -6.006 358 2HB LYS 50 3HB LYS 50 -4.525 6.370 -6.701 359 1HG LYS 50 2HG LYS 50 -2.576 4.385 -6.892 360 2HG LYS 50 3HG LYS 50 -4.052 3.478 -7.158 361 1HD LYS 50 2HD LYS 50 -3.940 6.073 -8.613 362 2HD LYS 50 3HD LYS 50 -2.711 4.925 -9.103 363 1HE LYS 50 2HE LYS 50 -4.288 3.918 -10.391 364 2HE LYS 50 3HE LYS 50 -5.040 3.353 -8.912 365 1HZ LYS 50 1HZ LYS 50 -6.129 5.066 -10.696 366 2HZ LYS 50 2HZ LYS 50 -6.686 4.778 -9.188 367 3HZ LYS 50 3HZ LYS 50 -5.698 6.048 -9.464 368 H THR 51 HN THR 51 -2.173 7.290 -3.571 369 HA THR 51 HA THR 51 -3.892 9.370 -3.215 370 HB THR 51 HB THR 51 -4.544 7.006 -1.490 371 HG1 THR 51 HG1 THR 51 -6.591 8.224 -1.697 372 1HG2 THR 51 1HG THR 51 -3.559 8.722 0.144 373 2HG2 THR 51 2HG THR 51 -4.780 9.874 -0.447 374 3HG2 THR 51 3HG THR 51 -5.291 8.384 0.383 375 H CYS 52 HN CYS 52 -1.891 7.253 -1.046 376 HA CYS 52 HA CYS 52 -0.393 9.665 -0.371 377 1HB CYS 52 2HB CYS 52 -1.215 8.603 1.571 378 2HB CYS 52 3HB CYS 52 -0.741 7.011 1.012 379 H HIS 53 HN HIS 53 0.349 9.228 -2.807 380 HA HIS 53 HA HIS 53 2.896 7.893 -2.575 381 1HB HIS 53 2HB HIS 53 0.670 6.928 -4.333 382 2HB HIS 53 3HB HIS 53 2.313 6.839 -4.936 383 HD1 HIS 53 HD1 HIS 53 0.384 4.380 -4.081 384 HD2 HIS 53 HD2 HIS 53 3.618 5.932 -1.907 385 HE1 HIS 53 HE1 HIS 53 1.169 2.509 -2.534 386 H LYS 54 HN LYS 54 0.523 9.684 -4.630 387 HA LYS 54 HA LYS 54 2.422 10.709 -6.407 388 1HB LYS 54 2HB LYS 54 -0.369 11.537 -5.608 389 2HB LYS 54 3HB LYS 54 0.563 12.469 -6.762 390 1HG LYS 54 2HG LYS 54 0.744 10.598 -8.283 391 2HG LYS 54 3HG LYS 54 0.185 9.462 -7.072 392 1HD LYS 54 2HD LYS 54 -2.047 10.058 -7.327 393 2HD LYS 54 3HD LYS 54 -1.674 11.728 -7.709 394 1HE LYS 54 2HE LYS 54 -0.820 10.992 -9.967 395 2HE LYS 54 3HE LYS 54 -1.278 9.345 -9.582 396 1HZ LYS 54 1HZ LYS 54 -3.176 9.990 -10.530 397 2HZ LYS 54 2HZ LYS 54 -3.529 10.619 -9.065 398 3HZ LYS 54 3HZ LYS 54 -2.947 11.582 -10.248 399 H SER 55 HN SER 55 4.240 11.261 -5.012 400 HA SER 55 HA SER 55 4.518 13.902 -4.598 401 1HB SER 55 2HB SER 55 4.478 13.976 -2.007 402 2HB SER 55 3HB SER 55 2.943 14.071 -2.846 403 HG SER 55 HG SER 55 2.726 11.720 -2.504 404 H ASN 56 HN ASN 56 5.129 10.752 -2.898 405 HA ASN 56 HA ASN 56 7.966 11.400 -3.091 406 1HB ASN 56 2HB ASN 56 6.475 10.819 -0.778 407 2HB ASN 56 3HB ASN 56 7.218 9.277 -1.156 408 1HD2 ASN 56 1HD ASN 56 7.749 12.635 -0.364 409 2HD2 ASN 56 2HD ASN 56 9.413 12.522 0.105 410 H ASN 57 HN ASN 57 9.275 9.115 -2.937 411 HA ASN 57 HA ASN 57 9.632 7.072 -3.643 412 1HB ASN 57 2HB ASN 57 6.920 6.874 -3.241 413 2HB ASN 57 3HB ASN 57 6.973 6.639 -4.977 414 1HD2 ASN 57 1HD ASN 57 6.626 4.543 -5.216 415 2HD2 ASN 57 2HD ASN 57 7.563 3.260 -4.528 416 H GLY 58 HN GLY 58 7.112 8.424 -5.919 417 1HA GLY 58 1HA GLY 58 8.098 9.638 -7.877 418 2HA GLY 58 2HA GLY 58 9.094 8.214 -8.105 419 HA PRO 59 HA PRO 59 5.860 6.367 -10.325 420 1HB PRO 59 2HB PRO 59 6.306 3.697 -9.950 421 2HB PRO 59 3HB PRO 59 7.220 4.671 -11.084 422 1HG PRO 59 2HG PRO 59 8.046 3.639 -8.440 423 2HG PRO 59 3HG PRO 59 9.049 4.232 -9.749 424 1HD PRO 59 2HD PRO 59 8.375 5.627 -7.335 425 2HD PRO 59 3HD PRO 59 9.281 6.262 -8.694 426 H THR 60 HN THR 60 3.795 6.737 -9.833 427 HA THR 60 HA THR 60 2.841 5.270 -7.461 428 HB THR 60 HB THR 60 1.990 7.945 -8.688 429 HG1 THR 60 HG1 THR 60 3.966 7.875 -7.372 430 1HG2 THR 60 1HG THR 60 -0.007 7.510 -7.619 431 2HG2 THR 60 2HG THR 60 0.670 6.116 -6.744 432 3HG2 THR 60 3HG THR 60 0.928 7.765 -6.126 433 H LYS 61 HN LYS 61 2.542 5.795 -10.912 434 HA LYS 61 HA LYS 61 -0.035 4.444 -10.941 435 1HB LYS 61 2HB LYS 61 -0.292 5.224 -13.113 436 2HB LYS 61 3HB LYS 61 0.564 6.534 -12.325 437 1HG LYS 61 2HG LYS 61 2.738 5.262 -13.165 438 2HG LYS 61 3HG LYS 61 1.635 4.488 -14.286 439 1HD LYS 61 2HD LYS 61 1.451 6.363 -15.569 440 2HD LYS 61 3HD LYS 61 1.187 7.393 -14.176 441 1HE LYS 61 2HE LYS 61 3.255 8.236 -14.695 442 2HE LYS 61 3HE LYS 61 3.852 6.826 -13.843 443 1HZ LYS 61 1HZ LYS 61 4.889 6.704 -15.861 444 2HZ LYS 61 2HZ LYS 61 3.616 5.712 -16.116 445 3HZ LYS 61 3HZ LYS 61 3.601 7.230 -16.717 446 H CYS 62 HN CYS 62 0.394 3.172 -13.540 447 HA CYS 62 HA CYS 62 1.041 0.674 -12.800 448 1HB CYS 62 2HB CYS 62 0.410 1.949 -15.173 449 2HB CYS 62 3HB CYS 62 1.987 1.262 -15.506 450 H GLY 63 HN GLY 63 2.938 -0.534 -12.483 451 1HA GLY 63 1HA GLY 63 5.221 -0.960 -12.809 452 2HA GLY 63 2HA GLY 63 5.502 0.734 -13.156 453 H GLY 64 HN GLY 64 3.740 1.613 -10.833 454 1HA GLY 64 1HA GLY 64 5.632 2.101 -8.925 455 2HA GLY 64 2HA GLY 64 3.906 2.042 -8.629 456 H CYS 65 HN CYS 65 2.985 -0.366 -8.527 457 HA CYS 65 HA CYS 65 4.589 -1.656 -6.509 458 1HB CYS 65 2HB CYS 65 1.991 -2.798 -7.403 459 2HB CYS 65 3HB CYS 65 2.683 -2.689 -5.797 460 H HIS 66 HN HIS 66 2.622 -2.896 -9.314 461 HA HIS 66 HA HIS 66 3.996 -5.263 -9.562 462 1HB HIS 66 2HB HIS 66 2.621 -3.712 -11.773 463 2HB HIS 66 3HB HIS 66 2.960 -5.431 -11.762 464 HD1 HIS 66 HD1 HIS 66 1.464 -6.958 -10.244 465 HD2 HIS 66 HD2 HIS 66 0.400 -2.900 -10.222 466 HE1 HIS 66 HE1 HIS 66 -0.844 -6.829 -9.162 467 H ILE 67 HN ILE 67 6.259 -4.992 -9.391 468 HA ILE 67 HA ILE 67 7.820 -3.162 -10.627 469 HB ILE 67 HB ILE 67 8.392 -5.030 -8.985 470 1HG1 ILE 67 2HG ILE 67 10.380 -4.486 -11.206 471 2HG1 ILE 67 3HG ILE 67 9.964 -3.325 -9.961 472 1HG2 ILE 67 1HG ILE 67 7.641 -6.759 -10.849 473 2HG2 ILE 67 2HG ILE 67 9.349 -6.611 -11.330 474 3HG2 ILE 67 3HG ILE 67 8.931 -7.135 -9.681 475 1HD1 ILE 67 1HD ILE 67 10.565 -5.908 -8.746 476 2HD1 ILE 67 2HD ILE 67 11.904 -5.382 -9.794 477 3HD1 ILE 67 3HD ILE 67 11.342 -4.331 -8.471 478 H LYS 68 HN LYS 68 7.699 -2.459 -12.695 479 HA LYS 68 HA LYS 68 7.648 -4.544 -14.764 480 1HB LYS 68 2HB LYS 68 5.999 -2.062 -14.471 481 2HB LYS 68 3HB LYS 68 6.480 -2.553 -16.082 482 1HG LYS 68 2HG LYS 68 5.491 -4.801 -14.416 483 2HG LYS 68 3HG LYS 68 4.291 -3.552 -14.680 484 1HD LYS 68 2HD LYS 68 4.123 -3.991 -16.936 485 2HD LYS 68 3HD LYS 68 5.839 -4.298 -17.114 486 1HE LYS 68 2HE LYS 68 4.485 -6.340 -15.454 487 2HE LYS 68 3HE LYS 68 3.826 -6.243 -17.074 488 1HZ LYS 68 1HZ LYS 68 6.254 -6.270 -17.780 489 2HZ LYS 68 2HZ LYS 68 6.572 -6.824 -16.277 490 3HZ LYS 68 3HZ LYS 68 5.593 -7.674 -17.271 491 HHA HEC 98 HGM HEC 98 -4.201 -5.677 7.614 492 HHB HEC 98 HDM HEC 98 -1.862 -3.463 12.962 493 HHC HEC 98 HAM HEC 98 1.398 0.828 9.633 494 HHD HEC 98 HBM HEC 98 -1.392 -1.217 4.452 495 1HMA HEC 98 1HM HEC 98 -2.788 -5.264 13.478 496 2HMA HEC 98 2HM HEC 98 -4.185 -6.219 12.926 497 3HMA HEC 98 3HM HEC 98 -2.539 -6.874 12.760 498 1HAA HEC 98 1HA HEC 98 -4.555 -7.558 10.796 499 2HAA HEC 98 2HA HEC 98 -5.102 -6.834 9.265 500 1HBA HEC 98 3HB HEC 98 -3.968 -8.668 8.357 501 2HBA HEC 98 4HB HEC 98 -2.572 -7.577 8.519 502 1HMB HEC 98 1HM HEC 98 0.281 -1.004 14.658 503 2HMB HEC 98 2HM HEC 98 -1.460 -0.778 14.372 504 3HMB HEC 98 3HM HEC 98 -0.770 -2.418 14.411 505 HAB HEC 98 HT2 HEC 98 1.743 1.245 11.581 506 1HBB HEC 98 1HT HEC 98 2.711 -0.948 13.234 507 2HBB HEC 98 2HT HEC 98 3.508 0.076 12.015 508 3HBB HEC 98 3HT HEC 98 3.216 0.706 13.653 509 1HMC HEC 98 1HM HEC 98 2.389 2.215 6.442 510 2HMC HEC 98 2HM HEC 98 1.332 2.935 7.679 511 3HMC HEC 98 3HM HEC 98 2.566 1.742 8.148 512 HAC HEC 98 HT4 HEC 98 -0.982 1.549 4.513 513 1HBC HEC 98 1HT HEC 98 0.944 -0.505 3.862 514 2HBC HEC 98 2HT HEC 98 -0.305 0.229 2.828 515 3HBC HEC 98 3HT HEC 98 1.312 0.965 2.930 516 1HMD HEC 98 1HM HEC 98 -3.268 -3.753 2.656 517 2HMD HEC 98 2HM HEC 98 -3.761 -2.087 3.043 518 3HMD HEC 98 3HM HEC 98 -2.038 -2.478 2.829 519 1HAD HEC 98 1HA HEC 98 -4.435 -6.152 5.415 520 2HAD HEC 98 2HA HEC 98 -4.938 -5.059 4.103 521 1HBD HEC 98 3HB HEC 98 -2.463 -5.497 3.276 522 2HBD HEC 98 4HB HEC 98 -2.671 -6.983 4.234 523 HHA HEC 128 HGM HEC 128 7.881 3.841 -1.391 524 HHB HEC 128 HDM HEC 128 3.738 -0.462 -3.207 525 HHC HEC 128 HAM HEC 128 -0.467 2.049 0.809 526 HHD HEC 128 HBM HEC 128 3.642 6.536 2.151 527 1HMA HEC 128 1HM HEC 128 6.567 -0.339 -4.764 528 2HMA HEC 128 2HM HEC 128 7.455 -1.089 -3.416 529 3HMA HEC 128 3HM HEC 128 5.704 -1.357 -3.587 530 1HAA HEC 128 1HA HEC 128 8.936 0.839 -3.334 531 2HAA HEC 128 2HA HEC 128 8.825 2.590 -3.036 532 1HBA HEC 128 3HB HEC 128 8.986 2.068 -0.518 533 2HBA HEC 128 4HB HEC 128 9.361 0.387 -0.962 534 1HMB HEC 128 1HM HEC 128 0.249 -0.861 -3.805 535 2HMB HEC 128 2HM HEC 128 2.001 -1.160 -3.870 536 3HMB HEC 128 3HM HEC 128 0.972 -2.135 -2.795 537 HAB HEC 128 HT2 HEC 128 -1.558 0.729 -0.551 538 1HBB HEC 128 1HT HEC 128 -1.652 -0.485 1.171 539 2HBB HEC 128 2HT HEC 128 -1.683 -1.926 0.128 540 3HBB HEC 128 3HT HEC 128 -0.134 -1.317 0.757 541 1HMC HEC 128 1HM HEC 128 -1.682 3.316 1.722 542 2HMC HEC 128 2HM HEC 128 -1.125 3.526 3.399 543 3HMC HEC 128 3HM HEC 128 -1.678 4.934 2.462 544 HAC HEC 128 HT4 HEC 128 1.738 7.090 3.109 545 1HBC HEC 128 1HT HEC 128 -0.644 5.587 4.044 546 2HBC HEC 128 2HT HEC 128 0.502 6.601 4.953 547 3HBC HEC 128 3HT HEC 128 -0.830 7.357 4.046 548 1HMD HEC 128 1HM HEC 128 6.449 7.437 2.875 549 2HMD HEC 128 2HM HEC 128 6.608 8.354 1.359 550 3HMD HEC 128 3HM HEC 128 4.999 8.077 2.066 551 1HAD HEC 128 1HA HEC 128 8.922 5.452 -0.197 552 2HAD HEC 128 2HA HEC 128 8.441 7.116 0.212 553 1HBD HEC 128 3HB HEC 128 10.056 6.012 1.789 554 2HBD HEC 128 4HB HEC 128 8.585 6.680 2.534 555 HHA HEC 158 HGM HEC 158 -3.823 -7.191 -6.818 556 HHB HEC 158 HDM HEC 158 -3.041 -5.939 -12.884 557 HHC HEC 158 HAM HEC 158 -1.016 -0.146 -11.315 558 HHD HEC 158 HBM HEC 158 -1.424 -1.738 -5.306 559 1HMA HEC 158 1HM HEC 158 -5.542 -8.526 -11.689 560 2HMA HEC 158 2HM HEC 158 -4.618 -7.489 -12.802 561 3HMA HEC 158 3HM HEC 158 -3.854 -8.927 -12.085 562 1HAA HEC 158 1HA HEC 158 -5.024 -8.446 -7.639 563 2HAA HEC 158 2HA HEC 158 -6.044 -8.727 -9.070 564 1HBA HEC 158 3HB HEC 158 -3.612 -9.780 -9.920 565 2HBA HEC 158 4HB HEC 158 -3.573 -10.172 -8.185 566 1HMB HEC 158 1HM HEC 158 -2.590 -3.834 -15.360 567 2HMB HEC 158 2HM HEC 158 -0.869 -4.179 -15.067 568 3HMB HEC 158 3HM HEC 158 -2.113 -5.328 -14.520 569 HAB HEC 158 HT2 HEC 158 -0.148 -0.913 -13.769 570 1HBB HEC 158 1HT HEC 158 -1.032 0.897 -13.132 571 2HBB HEC 158 2HT HEC 158 -2.198 0.738 -14.467 572 3HBB HEC 158 3HT HEC 158 -2.613 0.131 -12.846 573 1HMC HEC 158 1HM HEC 158 -0.377 2.360 -8.797 574 2HMC HEC 158 2HM HEC 158 0.823 1.452 -9.747 575 3HMC HEC 158 3HM HEC 158 -0.814 1.710 -10.395 576 HAC HEC 158 HT4 HEC 158 -0.733 0.960 -5.616 577 1HBC HEC 158 1HT HEC 158 1.370 1.575 -7.699 578 2HBC HEC 158 2HT HEC 158 0.271 2.682 -6.842 579 3HBC HEC 158 3HT HEC 158 1.661 1.970 -5.989 580 1HMD HEC 158 1HM HEC 158 -1.031 -3.737 -3.120 581 2HMD HEC 158 2HM HEC 158 -2.089 -2.338 -3.422 582 3HMD HEC 158 3HM HEC 158 -2.759 -3.821 -2.702 583 1HAD HEC 158 1HA HEC 158 -3.725 -5.534 -3.129 584 2HAD HEC 158 2HA HEC 158 -4.725 -6.270 -4.404 585 1HBD HEC 158 3HB HEC 158 -2.161 -7.402 -4.658 586 2HBD HEC 158 4HB HEC 158 -2.545 -7.392 -2.920 Start of MODEL 2 1 H ALA 1 HN ALA 1 2.739 -8.936 12.842 2 HA ALA 1 HA ALA 1 3.821 -8.995 10.732 3 1HB ALA 1 1HB ALA 1 2.874 -6.976 9.689 4 2HB ALA 1 2HB ALA 1 1.745 -7.652 10.888 5 3HB ALA 1 3HB ALA 1 2.713 -6.214 11.290 6 H ASP 2 HN ASP 2 4.765 -6.707 9.294 7 HA ASP 2 HA ASP 2 6.627 -5.154 10.309 8 1HB ASP 2 2HB ASP 2 7.555 -7.979 10.403 9 2HB ASP 2 3HB ASP 2 8.688 -6.891 9.623 10 H VAL 3 HN VAL 3 5.770 -7.627 7.906 11 HA VAL 3 HA VAL 3 6.046 -5.873 5.752 12 HB VAL 3 HB VAL 3 8.469 -6.303 6.308 13 1HG1 VAL 3 1HG VAL 3 9.470 -8.368 6.046 14 2HG1 VAL 3 2HG VAL 3 7.893 -8.838 6.725 15 3HG1 VAL 3 3HG VAL 3 8.185 -8.978 4.975 16 1HG2 VAL 3 1HG VAL 3 8.759 -7.188 3.715 17 2HG2 VAL 3 2HG VAL 3 7.115 -6.507 3.707 18 3HG2 VAL 3 3HG VAL 3 8.493 -5.499 4.210 19 H VAL 4 HN VAL 4 4.651 -6.597 4.206 20 HA VAL 4 HA VAL 4 3.887 -9.427 4.408 21 HB VAL 4 HB VAL 4 2.371 -6.901 3.859 22 1HG1 VAL 4 1HG VAL 4 1.454 -9.674 3.022 23 2HG1 VAL 4 2HG VAL 4 0.485 -8.182 2.967 24 3HG1 VAL 4 3HG VAL 4 1.915 -8.352 1.921 25 1HG2 VAL 4 1HG VAL 4 1.632 -7.345 5.917 26 2HG2 VAL 4 2HG VAL 4 0.847 -8.809 5.277 27 3HG2 VAL 4 3HG VAL 4 2.497 -8.900 5.940 28 H THR 5 HN THR 5 3.516 -10.598 2.422 29 HA THR 5 HA THR 5 4.685 -9.291 0.058 30 HB THR 5 HB THR 5 5.305 -11.992 1.337 31 HG1 THR 5 HG1 THR 5 6.489 -9.900 1.764 32 1HG2 THR 5 1HG THR 5 5.051 -11.519 -1.473 33 2HG2 THR 5 2HG THR 5 6.790 -11.421 -1.107 34 3HG2 THR 5 3HG THR 5 5.873 -12.887 -0.686 35 H TYR 6 HN TYR 6 3.240 -9.133 -1.526 36 HA TYR 6 HA TYR 6 1.126 -11.177 -1.592 37 1HB TYR 6 2HB TYR 6 1.402 -8.205 -2.032 38 2HB TYR 6 3HB TYR 6 0.375 -9.014 -3.199 39 HD1 TYR 6 HD1 TYR 6 0.264 -7.204 -0.287 40 HD2 TYR 6 HD2 TYR 6 -1.273 -10.851 -1.914 41 HE1 TYR 6 HE1 TYR 6 -1.673 -7.129 1.357 42 HE2 TYR 6 HE2 TYR 6 -3.205 -10.764 -0.264 43 HH TYR 6 HH TYR 6 -3.983 -8.002 1.455 44 H GLU 7 HN GLU 7 2.264 -12.723 -2.869 45 HA GLU 7 HA GLU 7 3.327 -11.792 -5.371 46 1HB GLU 7 2HB GLU 7 3.244 -14.528 -4.035 47 2HB GLU 7 3HB GLU 7 3.913 -14.275 -5.634 48 1HG GLU 7 2HG GLU 7 5.151 -12.261 -4.154 49 2HG GLU 7 3HG GLU 7 5.039 -13.561 -2.986 50 H ASN 8 HN ASN 8 2.210 -11.799 -7.281 51 HA ASN 8 HA ASN 8 -0.113 -13.551 -7.393 52 1HB ASN 8 2HB ASN 8 -1.121 -11.642 -8.887 53 2HB ASN 8 3HB ASN 8 -1.137 -11.415 -7.149 54 1HD2 ASN 8 1HD ASN 8 0.614 -10.204 -6.169 55 2HD2 ASN 8 2HD ASN 8 1.359 -8.900 -7.031 56 H LYS 9 HN LYS 9 -0.890 -13.233 -10.017 57 HA LYS 9 HA LYS 9 1.243 -14.429 -11.446 58 1HB LYS 9 2HB LYS 9 -1.625 -13.888 -11.834 59 2HB LYS 9 3HB LYS 9 -0.688 -13.818 -13.314 60 1HG LYS 9 2HG LYS 9 -0.893 -16.090 -13.335 61 2HG LYS 9 3HG LYS 9 0.378 -16.076 -12.129 62 1HD LYS 9 2HD LYS 9 -1.044 -16.951 -10.597 63 2HD LYS 9 3HD LYS 9 -2.088 -15.553 -10.750 64 1HE LYS 9 2HE LYS 9 -2.178 -17.878 -12.724 65 2HE LYS 9 3HE LYS 9 -3.155 -17.846 -11.269 66 1HZ LYS 9 1HZ LYS 9 -3.847 -16.742 -13.597 67 2HZ LYS 9 2HZ LYS 9 -4.498 -16.337 -12.154 68 3HZ LYS 9 3HZ LYS 9 -3.292 -15.437 -12.789 69 H LYS 10 HN LYS 10 -0.656 -11.413 -12.174 70 HA LYS 10 HA LYS 10 0.886 -10.383 -14.106 71 1HB LYS 10 2HB LYS 10 -1.246 -9.489 -12.870 72 2HB LYS 10 3HB LYS 10 -0.099 -8.573 -11.914 73 1HG LYS 10 2HG LYS 10 -0.036 -7.040 -13.583 74 2HG LYS 10 3HG LYS 10 0.793 -8.225 -14.571 75 1HD LYS 10 2HD LYS 10 -2.120 -8.697 -14.474 76 2HD LYS 10 3HD LYS 10 -1.727 -7.107 -15.098 77 1HE LYS 10 2HE LYS 10 -0.077 -8.219 -16.694 78 2HE LYS 10 3HE LYS 10 -0.668 -9.774 -16.143 79 1HZ LYS 10 1HZ LYS 10 -1.727 -8.660 -18.172 80 2HZ LYS 10 2HZ LYS 10 -2.696 -9.412 -17.095 81 3HZ LYS 10 3HZ LYS 10 -2.573 -7.783 -17.084 82 H GLY 11 HN GLY 11 1.342 -9.151 -10.727 83 1HA GLY 11 1HA GLY 11 4.183 -9.670 -10.832 84 2HA GLY 11 2HA GLY 11 3.757 -7.979 -11.009 85 H ASN 12 HN ASN 12 4.830 -10.060 -8.760 86 HA ASN 12 HA ASN 12 3.071 -9.933 -6.669 87 1HB ASN 12 2HB ASN 12 5.132 -10.256 -5.227 88 2HB ASN 12 3HB ASN 12 5.067 -11.357 -6.590 89 1HD2 ASN 12 1HD ASN 12 6.973 -9.292 -4.885 90 2HD2 ASN 12 2HD ASN 12 8.209 -8.938 -6.044 91 H VAL 13 HN VAL 13 2.690 -8.354 -5.020 92 HA VAL 13 HA VAL 13 4.143 -5.822 -5.369 93 HB VAL 13 HB VAL 13 1.915 -5.565 -6.186 94 1HG1 VAL 13 1HG VAL 13 0.921 -6.664 -3.535 95 2HG1 VAL 13 2HG VAL 13 -0.081 -6.082 -4.887 96 3HG1 VAL 13 3HG VAL 13 0.917 -7.543 -5.082 97 1HG2 VAL 13 1HG VAL 13 2.768 -3.684 -4.908 98 2HG2 VAL 13 2HG VAL 13 1.019 -3.856 -4.625 99 3HG2 VAL 13 3HG VAL 13 2.179 -4.406 -3.392 100 H THR 14 HN THR 14 5.726 -6.645 -3.814 101 HA THR 14 HA THR 14 5.068 -7.600 -1.292 102 HB THR 14 HB THR 14 7.464 -6.047 -2.393 103 HG1 THR 14 HG1 THR 14 7.998 -8.138 -2.958 104 1HG2 THR 14 1HG THR 14 6.894 -6.613 0.349 105 2HG2 THR 14 2HG THR 14 8.022 -7.879 -0.190 106 3HG2 THR 14 3HG THR 14 8.471 -6.163 -0.346 107 H PHE 15 HN PHE 15 4.867 -6.676 0.768 108 HA PHE 15 HA PHE 15 4.134 -3.835 0.653 109 1HB PHE 15 2HB PHE 15 3.129 -6.321 2.103 110 2HB PHE 15 3HB PHE 15 2.903 -4.769 2.886 111 HD1 PHE 15 HD1 PHE 15 2.824 -4.557 -0.683 112 HD2 PHE 15 HD2 PHE 15 0.453 -5.442 2.722 113 HE1 PHE 15 HE1 PHE 15 0.743 -4.178 -2.034 114 HE2 PHE 15 HE2 PHE 15 -1.629 -5.061 1.372 115 HZ PHE 15 HZ PHE 15 -1.459 -4.434 -0.990 116 H ASP 16 HN ASP 16 4.022 -3.199 3.324 117 HA ASP 16 HA ASP 16 6.377 -4.149 4.615 118 1HB ASP 16 2HB ASP 16 6.163 -1.260 3.647 119 2HB ASP 16 3HB ASP 16 7.325 -1.793 4.846 120 H HIS 17 HN HIS 17 5.914 -4.079 6.833 121 HA HIS 17 HA HIS 17 3.650 -2.403 7.611 122 1HB HIS 17 2HB HIS 17 4.305 -5.122 8.090 123 2HB HIS 17 3HB HIS 17 4.456 -4.298 9.630 124 HD1 HIS 17 HD1 HIS 17 2.064 -6.224 8.081 125 HD2 HIS 17 HD2 HIS 17 1.900 -2.337 9.650 126 HE1 HIS 17 HE1 HIS 17 -0.396 -5.750 8.560 127 H LYS 18 HN LYS 18 7.037 -3.317 8.413 128 HA LYS 18 HA LYS 18 7.073 -1.128 10.358 129 1HB LYS 18 2HB LYS 18 7.740 -3.456 11.066 130 2HB LYS 18 3HB LYS 18 9.108 -3.340 9.978 131 1HG LYS 18 2HG LYS 18 9.285 -0.940 11.379 132 2HG LYS 18 3HG LYS 18 8.672 -2.032 12.607 133 1HD LYS 18 2HD LYS 18 10.633 -3.215 12.720 134 2HD LYS 18 3HD LYS 18 10.848 -3.217 10.981 135 1HE LYS 18 2HE LYS 18 12.351 -1.522 11.123 136 2HE LYS 18 3HE LYS 18 11.173 -0.499 11.922 137 1HZ LYS 18 1HZ LYS 18 13.337 -1.281 13.112 138 2HZ LYS 18 2HZ LYS 18 11.948 -1.073 13.946 139 3HZ LYS 18 3HZ LYS 18 12.420 -2.573 13.509 140 H ALA 19 HN ALA 19 8.213 -2.224 7.210 141 HA ALA 19 HA ALA 19 10.375 -0.368 7.066 142 1HB ALA 19 1HB ALA 19 10.838 -1.948 5.520 143 2HB ALA 19 2HB ALA 19 9.142 -2.483 5.439 144 3HB ALA 19 3HB ALA 19 9.684 -1.091 4.471 145 H HIS 20 HN HIS 20 6.890 -0.307 6.545 146 HA HIS 20 HA HIS 20 7.129 2.211 5.105 147 1HB HIS 20 2HB HIS 20 5.155 0.045 5.253 148 2HB HIS 20 3HB HIS 20 4.432 1.638 5.358 149 HD1 HIS 20 HD1 HIS 20 4.371 -0.487 2.874 150 HD2 HIS 20 HD2 HIS 20 6.559 3.081 3.144 151 HE1 HIS 20 HE1 HIS 20 4.852 0.240 0.476 152 H ALA 21 HN ALA 21 5.344 0.797 7.942 153 HA ALA 21 HA ALA 21 4.215 2.982 8.987 154 1HB ALA 21 1HB ALA 21 4.648 1.906 11.229 155 2HB ALA 21 2HB ALA 21 4.005 0.794 9.997 156 3HB ALA 21 3HB ALA 21 5.736 0.761 10.407 157 H GLU 22 HN GLU 22 7.696 2.044 9.337 158 HA GLU 22 HA GLU 22 8.607 3.803 11.061 159 1HB GLU 22 2HB GLU 22 10.733 3.720 9.941 160 2HB GLU 22 3HB GLU 22 9.944 2.185 9.632 161 1HG GLU 22 2HG GLU 22 9.272 2.895 7.392 162 2HG GLU 22 3HG GLU 22 9.790 4.541 7.698 163 H LYS 23 HN LYS 23 7.344 4.575 7.821 164 HA LYS 23 HA LYS 23 7.944 7.401 8.336 165 1HB LYS 23 2HB LYS 23 7.801 5.758 5.837 166 2HB LYS 23 3HB LYS 23 7.339 7.445 5.751 167 1HG LYS 23 2HG LYS 23 9.853 6.927 7.269 168 2HG LYS 23 3HG LYS 23 9.935 6.521 5.565 169 1HD LYS 23 2HD LYS 23 8.843 8.887 5.181 170 2HD LYS 23 3HD LYS 23 9.333 9.217 6.830 171 1HE LYS 23 2HE LYS 23 11.633 9.080 6.325 172 2HE LYS 23 3HE LYS 23 11.376 8.052 4.929 173 1HZ LYS 23 1HZ LYS 23 10.487 10.847 5.036 174 2HZ LYS 23 2HZ LYS 23 11.930 10.388 4.423 175 3HZ LYS 23 3HZ LYS 23 10.545 9.880 3.722 176 H LEU 24 HN LEU 24 5.443 5.283 6.755 177 HA LEU 24 HA LEU 24 3.408 7.027 6.604 178 1HB LEU 24 2HB LEU 24 3.447 4.099 7.288 179 2HB LEU 24 3HB LEU 24 1.941 4.976 7.109 180 HG LEU 24 HG LEU 24 2.659 5.618 4.788 181 1HD1 LEU 24 1HD LEU 24 4.455 4.157 3.770 182 2HD1 LEU 24 2HD LEU 24 5.020 5.435 4.874 183 3HD1 LEU 24 3HD LEU 24 4.945 3.746 5.431 184 1HD2 LEU 24 1HD LEU 24 1.449 3.320 5.714 185 2HD2 LEU 24 2HD LEU 24 1.506 3.868 4.020 186 3HD2 LEU 24 3HD LEU 24 2.706 2.697 4.618 187 H GLY 25 HN GLY 25 3.474 4.722 9.397 188 1HA GLY 25 1HA GLY 25 3.653 5.663 11.643 189 2HA GLY 25 2HA GLY 25 2.627 6.982 11.112 190 H CYS 26 HN CYS 26 1.811 3.918 9.683 191 HA CYS 26 HA CYS 26 0.237 2.422 10.066 192 1HB CYS 26 2HB CYS 26 -0.506 3.386 12.781 193 2HB CYS 26 3HB CYS 26 -0.375 1.753 12.160 194 H ASP 27 HN ASP 27 -0.822 5.307 12.028 195 HA ASP 27 HA ASP 27 -3.403 5.318 11.392 196 1HB ASP 27 2HB ASP 27 -1.391 7.476 11.945 197 2HB ASP 27 3HB ASP 27 -2.941 8.008 11.323 198 H ALA 28 HN ALA 28 -0.639 6.091 9.318 199 HA ALA 28 HA ALA 28 -1.809 7.694 7.402 200 1HB ALA 28 1HB ALA 28 0.267 7.501 6.564 201 2HB ALA 28 2HB ALA 28 0.617 6.289 7.819 202 3HB ALA 28 3HB ALA 28 0.014 5.771 6.227 203 H CYS 29 HN CYS 29 -1.935 4.138 7.894 204 HA CYS 29 HA CYS 29 -3.695 3.980 5.566 205 1HB CYS 29 2HB CYS 29 -2.445 1.661 7.035 206 2HB CYS 29 3HB CYS 29 -3.228 1.649 5.467 207 H HIS 30 HN HIS 30 -3.259 2.670 8.940 208 HA HIS 30 HA HIS 30 -6.048 2.045 9.092 209 1HB HIS 30 2HB HIS 30 -3.894 1.950 11.222 210 2HB HIS 30 3HB HIS 30 -5.497 1.254 11.348 211 HD1 HIS 30 HD1 HIS 30 -5.856 -1.069 10.370 212 HD2 HIS 30 HD2 HIS 30 -2.178 0.621 9.272 213 HE1 HIS 30 HE1 HIS 30 -4.533 -2.923 9.222 214 H GLU 31 HN GLU 31 -7.048 2.764 11.445 215 HA GLU 31 HA GLU 31 -6.379 5.466 12.058 216 1HB GLU 31 2HB GLU 31 -7.844 5.723 10.044 217 2HB GLU 31 3HB GLU 31 -9.118 4.848 10.867 218 1HG GLU 31 2HG GLU 31 -8.977 6.614 12.733 219 2HG GLU 31 3HG GLU 31 -7.915 7.530 11.682 220 H GLY 32 HN GLY 32 -6.099 4.899 14.221 221 1HA GLY 32 1HA GLY 32 -6.669 4.365 16.327 222 2HA GLY 32 2HA GLY 32 -8.322 4.750 15.894 223 H THR 33 HN THR 33 -5.968 2.197 16.434 224 HA THR 33 HA THR 33 -6.194 0.005 16.736 225 HB THR 33 HB THR 33 -9.207 0.556 16.640 226 HG1 THR 33 HG1 THR 33 -7.829 1.869 18.149 227 1HG2 THR 33 1HG THR 33 -8.699 -1.865 16.709 228 2HG2 THR 33 2HG THR 33 -7.501 -1.597 17.998 229 3HG2 THR 33 3HG THR 33 -9.232 -1.331 18.321 230 HA PRO 34 HA PRO 34 -6.468 -0.953 12.467 231 1HB PRO 34 2HB PRO 34 -4.436 -2.780 12.441 232 2HB PRO 34 3HB PRO 34 -4.187 -1.064 12.185 233 1HG PRO 34 2HG PRO 34 -3.589 -2.686 14.583 234 2HG PRO 34 3HG PRO 34 -2.974 -1.104 14.148 235 1HD PRO 34 2HD PRO 34 -5.003 -1.682 16.091 236 2HD PRO 34 3HD PRO 34 -4.471 -0.095 15.572 237 H ALA 35 HN ALA 35 -6.304 -3.282 11.260 238 HA ALA 35 HA ALA 35 -7.237 -5.457 12.714 239 1HB ALA 35 1HB ALA 35 -9.195 -3.601 12.754 240 2HB ALA 35 2HB ALA 35 -9.566 -4.369 11.192 241 3HB ALA 35 3HB ALA 35 -9.528 -5.348 12.677 242 H LYS 36 HN LYS 36 -7.711 -3.615 9.623 243 HA LYS 36 HA LYS 36 -6.177 -5.383 8.127 244 1HB LYS 36 2HB LYS 36 -7.659 -6.810 7.050 245 2HB LYS 36 3HB LYS 36 -8.202 -6.865 8.716 246 1HG LYS 36 2HG LYS 36 -10.255 -6.157 8.073 247 2HG LYS 36 3HG LYS 36 -9.560 -4.657 7.494 248 1HD LYS 36 2HD LYS 36 -10.599 -5.549 5.563 249 2HD LYS 36 3HD LYS 36 -8.916 -5.982 5.345 250 1HE LYS 36 2HE LYS 36 -9.387 -8.208 5.413 251 2HE LYS 36 3HE LYS 36 -10.296 -8.041 6.902 252 1HZ LYS 36 1HZ LYS 36 -12.075 -7.067 5.380 253 2HZ LYS 36 2HZ LYS 36 -11.255 -7.781 4.161 254 3HZ LYS 36 3HZ LYS 36 -11.860 -8.687 5.378 255 H ILE 37 HN ILE 37 -7.214 -5.096 5.588 256 HA ILE 37 HA ILE 37 -8.177 -2.405 5.272 257 HB ILE 37 HB ILE 37 -5.369 -3.166 4.471 258 1HG1 ILE 37 2HG ILE 37 -6.516 -1.077 6.336 259 2HG1 ILE 37 3HG ILE 37 -5.462 -2.416 6.742 260 1HG2 ILE 37 1HG ILE 37 -7.085 -0.839 3.582 261 2HG2 ILE 37 2HG ILE 37 -5.310 -0.862 3.453 262 3HG2 ILE 37 3HG ILE 37 -6.281 -2.066 2.573 263 1HD1 ILE 37 1HD ILE 37 -3.892 -1.232 4.878 264 2HD1 ILE 37 2HD ILE 37 -4.802 0.196 5.429 265 3HD1 ILE 37 3HD ILE 37 -3.857 -0.761 6.594 266 H ALA 38 HN ALA 38 -8.713 -1.951 2.974 267 HA ALA 38 HA ALA 38 -9.683 -4.359 1.750 268 1HB ALA 38 1HB ALA 38 -10.767 -2.785 0.198 269 2HB ALA 38 2HB ALA 38 -11.024 -2.279 1.885 270 3HB ALA 38 3HB ALA 38 -9.817 -1.442 0.880 271 H ILE 39 HN ILE 39 -8.013 -5.599 0.911 272 HA ILE 39 HA ILE 39 -6.544 -4.320 -1.270 273 HB ILE 39 HB ILE 39 -5.288 -6.121 0.803 274 1HG1 ILE 39 2HG ILE 39 -5.937 -3.726 1.512 275 2HG1 ILE 39 3HG ILE 39 -4.303 -4.282 1.815 276 1HG2 ILE 39 1HG ILE 39 -3.175 -5.247 -0.389 277 2HG2 ILE 39 2HG ILE 39 -4.134 -6.522 -1.180 278 3HG2 ILE 39 3HG ILE 39 -4.277 -4.834 -1.725 279 1HD1 ILE 39 1HD ILE 39 -4.690 -1.921 0.698 280 2HD1 ILE 39 2HD ILE 39 -3.379 -2.966 0.098 281 3HD1 ILE 39 3HD ILE 39 -4.918 -2.870 -0.790 282 H ASP 40 HN ASP 40 -7.189 -5.340 -3.084 283 HA ASP 40 HA ASP 40 -6.939 -8.144 -3.227 284 1HB ASP 40 2HB ASP 40 -9.171 -8.066 -2.186 285 2HB ASP 40 3HB ASP 40 -9.719 -6.889 -3.363 286 H LYS 41 HN LYS 41 -8.991 -5.502 -4.701 287 HA LYS 41 HA LYS 41 -7.337 -5.606 -7.088 288 1HB LYS 41 2HB LYS 41 -9.148 -7.286 -7.421 289 2HB LYS 41 3HB LYS 41 -10.339 -6.020 -7.202 290 1HG LYS 41 2HG LYS 41 -9.104 -4.750 -9.108 291 2HG LYS 41 3HG LYS 41 -8.267 -6.257 -9.421 292 1HD LYS 41 2HD LYS 41 -10.115 -7.244 -10.357 293 2HD LYS 41 3HD LYS 41 -11.203 -6.585 -9.150 294 1HE LYS 41 2HE LYS 41 -10.864 -4.292 -10.345 295 2HE LYS 41 3HE LYS 41 -10.147 -5.210 -11.654 296 1HZ LYS 41 1HZ LYS 41 -12.780 -4.783 -11.292 297 2HZ LYS 41 2HZ LYS 41 -12.133 -5.909 -12.282 298 3HZ LYS 41 3HZ LYS 41 -12.603 -6.321 -10.774 299 H LYS 42 HN LYS 42 -10.340 -4.167 -7.715 300 HA LYS 42 HA LYS 42 -9.506 -1.681 -8.134 301 1HB LYS 42 2HB LYS 42 -12.075 -2.934 -7.490 302 2HB LYS 42 3HB LYS 42 -12.019 -1.244 -7.036 303 1HG LYS 42 2HG LYS 42 -11.099 -2.214 -9.775 304 2HG LYS 42 3HG LYS 42 -12.764 -1.775 -9.455 305 1HD LYS 42 2HD LYS 42 -12.209 0.384 -9.869 306 2HD LYS 42 3HD LYS 42 -11.268 0.373 -8.391 307 1HE LYS 42 2HE LYS 42 -9.376 0.621 -9.616 308 2HE LYS 42 3HE LYS 42 -9.656 -0.948 -10.342 309 1HZ LYS 42 1HZ LYS 42 -11.138 0.204 -11.927 310 2HZ LYS 42 2HZ LYS 42 -10.645 1.637 -11.317 311 3HZ LYS 42 3HZ LYS 42 -9.571 0.647 -12.049 312 H SER 43 HN SER 43 -10.493 -3.003 -4.919 313 HA SER 43 HA SER 43 -10.360 -0.720 -3.479 314 1HB SER 43 2HB SER 43 -9.264 -3.381 -2.486 315 2HB SER 43 3HB SER 43 -10.025 -2.122 -1.533 316 HG SER 43 HG SER 43 -11.199 -4.218 -2.800 317 H ALA 44 HN ALA 44 -7.645 -3.133 -3.822 318 HA ALA 44 HA ALA 44 -5.713 -1.520 -2.650 319 1HB ALA 44 1HB ALA 44 -4.152 -3.127 -3.537 320 2HB ALA 44 2HB ALA 44 -5.639 -4.011 -3.117 321 3HB ALA 44 3HB ALA 44 -5.289 -3.613 -4.816 322 H HIS 45 HN HIS 45 -7.359 -1.231 -5.682 323 HA HIS 45 HA HIS 45 -5.186 0.381 -6.773 324 1HB HIS 45 2HB HIS 45 -7.534 -1.063 -7.944 325 2HB HIS 45 3HB HIS 45 -6.915 0.344 -8.786 326 HD1 HIS 45 HD1 HIS 45 -6.269 -1.430 -10.709 327 HD2 HIS 45 HD2 HIS 45 -4.114 -1.733 -7.123 328 HE1 HIS 45 HE1 HIS 45 -4.212 -2.847 -11.228 329 H LYS 46 HN LYS 46 -7.682 0.767 -4.664 330 HA LYS 46 HA LYS 46 -8.449 3.369 -5.781 331 1HB LYS 46 2HB LYS 46 -10.031 1.278 -4.827 332 2HB LYS 46 3HB LYS 46 -10.016 2.428 -3.506 333 1HG LYS 46 2HG LYS 46 -11.065 4.101 -4.752 334 2HG LYS 46 3HG LYS 46 -10.400 3.541 -6.274 335 1HD LYS 46 2HD LYS 46 -11.913 1.440 -5.962 336 2HD LYS 46 3HD LYS 46 -12.728 2.358 -4.711 337 1HE LYS 46 2HE LYS 46 -12.315 3.745 -7.347 338 2HE LYS 46 3HE LYS 46 -13.485 2.440 -7.320 339 1HZ LYS 46 1HZ LYS 46 -13.811 4.093 -5.074 340 2HZ LYS 46 2HZ LYS 46 -13.861 4.994 -6.435 341 3HZ LYS 46 3HZ LYS 46 -14.886 3.736 -6.251 342 H ASP 47 HN ASP 47 -9.408 4.351 -3.191 343 HA ASP 47 HA ASP 47 -7.290 5.757 -2.380 344 1HB ASP 47 2HB ASP 47 -9.928 5.167 -1.395 345 2HB ASP 47 3HB ASP 47 -8.841 5.083 -0.023 346 H ALA 48 HN ALA 48 -8.086 2.377 -1.694 347 HA ALA 48 HA ALA 48 -6.896 1.791 0.639 348 1HB ALA 48 1HB ALA 48 -6.691 -0.413 -0.183 349 2HB ALA 48 2HB ALA 48 -7.996 0.291 -1.168 350 3HB ALA 48 3HB ALA 48 -6.356 0.139 -1.841 351 H CYS 49 HN CYS 49 -5.144 1.900 -2.551 352 HA CYS 49 HA CYS 49 -2.693 2.278 -1.002 353 1HB CYS 49 2HB CYS 49 -3.131 0.361 -2.797 354 2HB CYS 49 3HB CYS 49 -2.633 1.620 -3.911 355 H LYS 50 HN LYS 50 -3.830 3.104 -4.360 356 HA LYS 50 HA LYS 50 -2.365 5.372 -4.674 357 1HB LYS 50 2HB LYS 50 -5.122 4.714 -5.752 358 2HB LYS 50 3HB LYS 50 -4.122 6.028 -6.336 359 1HG LYS 50 2HG LYS 50 -2.406 3.768 -6.309 360 2HG LYS 50 3HG LYS 50 -3.933 3.164 -6.919 361 1HD LYS 50 2HD LYS 50 -2.900 5.777 -8.023 362 2HD LYS 50 3HD LYS 50 -2.120 4.297 -8.546 363 1HE LYS 50 2HE LYS 50 -4.897 3.736 -8.694 364 2HE LYS 50 3HE LYS 50 -4.740 5.371 -9.305 365 1HZ LYS 50 1HZ LYS 50 -3.201 4.649 -10.901 366 2HZ LYS 50 2HZ LYS 50 -3.023 3.175 -10.220 367 3HZ LYS 50 3HZ LYS 50 -4.426 3.569 -10.957 368 H THR 51 HN THR 51 -2.133 6.822 -3.004 369 HA THR 51 HA THR 51 -4.099 8.754 -2.627 370 HB THR 51 HB THR 51 -4.252 6.347 -0.850 371 HG1 THR 51 HG1 THR 51 -5.842 7.461 -2.428 372 1HG2 THR 51 1HG THR 51 -5.370 8.182 0.811 373 2HG2 THR 51 2HG THR 51 -3.689 7.634 1.017 374 3HG2 THR 51 3HG THR 51 -4.029 9.170 0.183 375 H CYS 52 HN CYS 52 -1.907 7.128 -0.243 376 HA CYS 52 HA CYS 52 -0.583 9.689 0.056 377 1HB CYS 52 2HB CYS 52 -1.213 8.696 2.109 378 2HB CYS 52 3HB CYS 52 -0.558 7.135 1.655 379 H HIS 53 HN HIS 53 0.146 9.197 -2.348 380 HA HIS 53 HA HIS 53 2.845 8.302 -2.171 381 1HB HIS 53 2HB HIS 53 0.810 6.448 -3.062 382 2HB HIS 53 3HB HIS 53 1.912 6.805 -4.377 383 HD1 HIS 53 HD1 HIS 53 4.384 6.012 -4.144 384 HD2 HIS 53 HD2 HIS 53 1.952 5.055 -0.863 385 HE1 HIS 53 HE1 HIS 53 5.699 4.332 -2.745 386 H LYS 54 HN LYS 54 0.050 9.109 -4.329 387 HA LYS 54 HA LYS 54 1.725 10.248 -6.316 388 1HB LYS 54 2HB LYS 54 -0.505 11.125 -7.172 389 2HB LYS 54 3HB LYS 54 -0.323 9.386 -7.070 390 1HG LYS 54 2HG LYS 54 -1.715 9.213 -5.156 391 2HG LYS 54 3HG LYS 54 -1.487 10.894 -4.714 392 1HD LYS 54 2HD LYS 54 -3.237 11.577 -6.004 393 2HD LYS 54 3HD LYS 54 -2.677 10.662 -7.389 394 1HE LYS 54 2HE LYS 54 -3.756 8.637 -6.613 395 2HE LYS 54 3HE LYS 54 -4.050 9.315 -5.024 396 1HZ LYS 54 1HZ LYS 54 -5.553 10.881 -6.007 397 2HZ LYS 54 2HZ LYS 54 -5.235 10.335 -7.513 398 3HZ LYS 54 3HZ LYS 54 -5.999 9.371 -6.440 399 H SER 55 HN SER 55 3.074 11.547 -4.767 400 HA SER 55 HA SER 55 2.263 14.211 -4.919 401 1HB SER 55 2HB SER 55 0.905 13.334 -2.900 402 2HB SER 55 3HB SER 55 2.436 13.187 -2.059 403 HG SER 55 HG SER 55 2.764 15.429 -2.204 404 H ASN 56 HN ASN 56 4.171 12.084 -2.652 405 HA ASN 56 HA ASN 56 6.444 13.797 -3.147 406 1HB ASN 56 2HB ASN 56 5.634 12.919 -0.794 407 2HB ASN 56 3HB ASN 56 6.377 11.402 -1.262 408 1HD2 ASN 56 1HD ASN 56 6.942 14.858 -0.826 409 2HD2 ASN 56 2HD ASN 56 8.634 14.776 -0.466 410 H ASN 57 HN ASN 57 5.694 10.233 -2.845 411 HA ASN 57 HA ASN 57 7.905 9.143 -3.769 412 1HB ASN 57 2HB ASN 57 4.992 8.465 -4.300 413 2HB ASN 57 3HB ASN 57 6.240 7.481 -5.039 414 1HD2 ASN 57 1HD ASN 57 4.909 8.670 -2.016 415 2HD2 ASN 57 2HD ASN 57 5.542 7.440 -0.973 416 H GLY 58 HN GLY 58 5.165 9.268 -6.129 417 1HA GLY 58 1HA GLY 58 5.533 10.890 -8.044 418 2HA GLY 58 2HA GLY 58 7.085 10.094 -8.217 419 HA PRO 59 HA PRO 59 5.218 6.801 -10.348 420 1HB PRO 59 2HB PRO 59 6.365 4.514 -9.387 421 2HB PRO 59 3HB PRO 59 7.168 5.587 -10.517 422 1HG PRO 59 2HG PRO 59 7.651 5.248 -7.620 423 2HG PRO 59 3HG PRO 59 8.691 5.974 -8.829 424 1HD PRO 59 2HD PRO 59 7.094 7.353 -6.886 425 2HD PRO 59 3HD PRO 59 8.044 8.078 -8.168 426 H THR 60 HN THR 60 3.054 7.220 -9.726 427 HA THR 60 HA THR 60 2.137 5.323 -7.673 428 HB THR 60 HB THR 60 1.763 7.808 -7.319 429 HG1 THR 60 HG1 THR 60 -0.613 6.231 -8.006 430 1HG2 THR 60 1HG THR 60 1.186 8.918 -9.281 431 2HG2 THR 60 2HG THR 60 0.471 7.459 -10.009 432 3HG2 THR 60 3HG THR 60 -0.451 8.401 -8.812 433 H LYS 61 HN LYS 61 2.650 5.317 -10.889 434 HA LYS 61 HA LYS 61 0.079 4.007 -11.441 435 1HB LYS 61 2HB LYS 61 0.183 4.729 -13.626 436 2HB LYS 61 3HB LYS 61 0.889 6.090 -12.779 437 1HG LYS 61 2HG LYS 61 3.179 4.808 -13.179 438 2HG LYS 61 3HG LYS 61 2.281 3.958 -14.421 439 1HD LYS 61 2HD LYS 61 1.543 6.481 -15.071 440 2HD LYS 61 3HD LYS 61 3.066 6.861 -14.291 441 1HE LYS 61 2HE LYS 61 4.330 5.549 -15.843 442 2HE LYS 61 3HE LYS 61 2.918 4.663 -16.385 443 1HZ LYS 61 1HZ LYS 61 2.148 6.517 -17.531 444 2HZ LYS 61 2HZ LYS 61 3.154 7.556 -16.773 445 3HZ LYS 61 3HZ LYS 61 3.747 6.490 -17.858 446 H CYS 62 HN CYS 62 0.997 2.599 -13.773 447 HA CYS 62 HA CYS 62 1.813 0.250 -12.646 448 1HB CYS 62 2HB CYS 62 1.421 1.304 -15.311 449 2HB CYS 62 3HB CYS 62 2.801 0.224 -15.277 450 H GLY 63 HN GLY 63 3.930 -0.895 -12.776 451 1HA GLY 63 1HA GLY 63 6.212 -1.002 -12.885 452 2HA GLY 63 2HA GLY 63 6.289 0.689 -13.336 453 H GLY 64 HN GLY 64 4.778 1.884 -11.225 454 1HA GLY 64 1HA GLY 64 6.538 2.527 -9.335 455 2HA GLY 64 2HA GLY 64 4.821 2.391 -9.008 456 H CYS 65 HN CYS 65 3.950 0.375 -8.117 457 HA CYS 65 HA CYS 65 5.856 -0.854 -6.368 458 1HB CYS 65 2HB CYS 65 3.808 -2.113 -5.570 459 2HB CYS 65 3HB CYS 65 3.828 -0.376 -5.333 460 H HIS 66 HN HIS 66 3.505 -1.922 -8.937 461 HA HIS 66 HA HIS 66 4.363 -4.566 -8.982 462 1HB HIS 66 2HB HIS 66 2.861 -2.790 -10.885 463 2HB HIS 66 3HB HIS 66 3.347 -4.394 -11.395 464 HD1 HIS 66 HD1 HIS 66 2.729 -6.194 -9.095 465 HD2 HIS 66 HD2 HIS 66 0.265 -2.948 -10.089 466 HE1 HIS 66 HE1 HIS 66 0.435 -6.708 -8.103 467 H ILE 67 HN ILE 67 6.113 -5.580 -9.867 468 HA ILE 67 HA ILE 67 7.677 -4.055 -11.818 469 HB ILE 67 HB ILE 67 8.670 -5.363 -9.293 470 1HG1 ILE 67 2HG ILE 67 9.312 -2.603 -10.325 471 2HG1 ILE 67 3HG ILE 67 7.843 -2.909 -9.417 472 1HG2 ILE 67 1HG ILE 67 10.920 -5.141 -10.058 473 2HG2 ILE 67 2HG ILE 67 10.020 -6.065 -11.285 474 3HG2 ILE 67 3HG ILE 67 10.396 -4.347 -11.563 475 1HD1 ILE 67 1HD ILE 67 9.221 -2.454 -7.627 476 2HD1 ILE 67 2HD ILE 67 9.616 -4.181 -7.791 477 3HD1 ILE 67 3HD ILE 67 10.690 -2.952 -8.500 478 H LYS 68 HN LYS 68 7.292 -5.221 -13.645 479 HA LYS 68 HA LYS 68 6.944 -6.994 -14.954 480 1HB LYS 68 2HB LYS 68 9.574 -7.379 -13.604 481 2HB LYS 68 3HB LYS 68 8.963 -8.723 -14.549 482 1HG LYS 68 2HG LYS 68 8.750 -6.018 -15.826 483 2HG LYS 68 3HG LYS 68 10.374 -6.645 -15.626 484 1HD LYS 68 2HD LYS 68 10.072 -7.957 -17.447 485 2HD LYS 68 3HD LYS 68 8.821 -8.834 -16.591 486 1HE LYS 68 2HE LYS 68 7.986 -6.187 -17.707 487 2HE LYS 68 3HE LYS 68 8.387 -7.407 -18.899 488 1HZ LYS 68 1HZ LYS 68 6.891 -8.742 -17.099 489 2HZ LYS 68 2HZ LYS 68 6.160 -7.283 -17.151 490 3HZ LYS 68 3HZ LYS 68 6.354 -8.148 -18.522 491 HHA HEC 98 HGM HEC 98 -4.073 -5.551 7.744 492 HHB HEC 98 HDM HEC 98 -1.754 -3.270 13.072 493 HHC HEC 98 HAM HEC 98 1.733 0.793 9.687 494 HHD HEC 98 HBM HEC 98 -1.034 -1.298 4.511 495 1HMA HEC 98 1HM HEC 98 -4.166 -5.636 13.196 496 2HMA HEC 98 2HM HEC 98 -2.845 -6.782 12.869 497 3HMA HEC 98 3HM HEC 98 -2.487 -5.191 13.580 498 1HAA HEC 98 1HA HEC 98 -4.534 -7.342 10.972 499 2HAA HEC 98 2HA HEC 98 -5.067 -6.617 9.436 500 1HBA HEC 98 3HB HEC 98 -3.993 -8.476 8.522 501 2HBA HEC 98 4HB HEC 98 -2.549 -7.454 8.708 502 1HMB HEC 98 1HM HEC 98 -1.196 -1.945 14.412 503 2HMB HEC 98 2HM HEC 98 0.486 -1.465 14.739 504 3HMB HEC 98 3HM HEC 98 -0.766 -0.220 14.513 505 HAB HEC 98 HT2 HEC 98 2.019 1.285 11.637 506 1HBB HEC 98 1HT HEC 98 3.492 -0.536 12.103 507 2HBB HEC 98 2HT HEC 98 3.773 0.907 13.105 508 3HBB HEC 98 3HT HEC 98 2.964 -0.516 13.802 509 1HMC HEC 98 1HM HEC 98 1.783 2.851 7.630 510 2HMC HEC 98 2HM HEC 98 2.939 1.636 8.227 511 3HMC HEC 98 3HM HEC 98 2.865 2.016 6.490 512 HAC HEC 98 HT4 HEC 98 -0.512 1.122 4.332 513 1HBC HEC 98 1HT HEC 98 2.428 0.383 4.031 514 2HBC HEC 98 2HT HEC 98 1.016 -0.482 3.379 515 3HBC HEC 98 3HT HEC 98 1.456 1.118 2.734 516 1HMD HEC 98 1HM HEC 98 -2.109 -2.000 3.038 517 2HMD HEC 98 2HM HEC 98 -2.253 -3.748 2.730 518 3HMD HEC 98 3HM HEC 98 -3.715 -2.765 2.978 519 1HAD HEC 98 1HA HEC 98 -4.339 -6.046 5.556 520 2HAD HEC 98 2HA HEC 98 -4.677 -5.007 4.152 521 1HBD HEC 98 3HB HEC 98 -3.567 -7.091 3.519 522 2HBD HEC 98 4HB HEC 98 -2.571 -5.667 3.134 523 HHA HEC 128 HGM HEC 128 8.917 3.701 -0.732 524 HHB HEC 128 HDM HEC 128 4.900 -0.503 -3.003 525 HHC HEC 128 HAM HEC 128 0.359 2.050 0.599 526 HHD HEC 128 HBM HEC 128 4.394 6.443 2.399 527 1HMA HEC 128 1HM HEC 128 6.906 -0.900 -3.953 528 2HMA HEC 128 2HM HEC 128 8.641 -0.557 -3.765 529 3HMA HEC 128 3HM HEC 128 7.808 -1.598 -2.587 530 1HAA HEC 128 1HA HEC 128 10.138 2.010 -1.053 531 2HAA HEC 128 2HA HEC 128 10.182 0.463 -1.930 532 1HBA HEC 128 3HB HEC 128 9.186 2.314 -3.837 533 2HBA HEC 128 4HB HEC 128 10.469 3.209 -2.990 534 1HMB HEC 128 1HM HEC 128 3.241 -1.647 -3.426 535 2HMB HEC 128 2HM HEC 128 1.515 -1.865 -3.057 536 3HMB HEC 128 3HM HEC 128 2.027 -0.603 -4.204 537 HAB HEC 128 HT2 HEC 128 -0.564 0.675 -0.608 538 1HBB HEC 128 1HT HEC 128 0.011 -2.226 -0.690 539 2HBB HEC 128 2HT HEC 128 0.371 -1.186 0.708 540 3HBB HEC 128 3HT HEC 128 -1.299 -1.327 0.110 541 1HMC HEC 128 1HM HEC 128 -0.839 4.880 2.618 542 2HMC HEC 128 2HM HEC 128 -1.018 3.773 1.236 543 3HMC HEC 128 3HM HEC 128 -0.548 3.137 2.830 544 HAC HEC 128 HT4 HEC 128 2.429 7.071 3.069 545 1HBC HEC 128 1HT HEC 128 1.117 6.875 4.881 546 2HBC HEC 128 2HT HEC 128 -0.319 7.065 3.847 547 3HBC HEC 128 3HT HEC 128 0.327 5.441 4.182 548 1HMD HEC 128 1HM HEC 128 7.257 7.307 3.362 549 2HMD HEC 128 2HM HEC 128 7.348 8.259 1.861 550 3HMD HEC 128 3HM HEC 128 5.765 7.885 2.583 551 1HAD HEC 128 1HA HEC 128 9.339 6.525 2.109 552 2HAD HEC 128 2HA HEC 128 9.839 5.000 1.342 553 1HBD HEC 128 3HB HEC 128 9.004 6.833 -0.688 554 2HBD HEC 128 4HB HEC 128 10.172 7.634 0.391 555 HHA HEC 158 HGM HEC 158 -3.589 -7.554 -7.010 556 HHB HEC 158 HDM HEC 158 -2.979 -5.833 -12.979 557 HHC HEC 158 HAM HEC 158 -0.652 -0.275 -11.027 558 HHD HEC 158 HBM HEC 158 -0.905 -2.346 -5.156 559 1HMA HEC 158 1HM HEC 158 -4.739 -7.297 -12.921 560 2HMA HEC 158 2HM HEC 158 -3.828 -8.758 -12.473 561 3HMA HEC 158 3HM HEC 158 -5.482 -8.519 -11.863 562 1HAA HEC 158 1HA HEC 158 -4.892 -8.676 -7.883 563 2HAA HEC 158 2HA HEC 158 -5.948 -8.823 -9.308 564 1HBA HEC 158 3HB HEC 158 -3.687 -9.928 -10.360 565 2HBA HEC 158 4HB HEC 158 -3.401 -10.318 -8.648 566 1HMB HEC 158 1HM HEC 158 -2.103 -5.122 -14.599 567 2HMB HEC 158 2HM HEC 158 -2.519 -3.538 -15.296 568 3HMB HEC 158 3HM HEC 158 -0.812 -4.000 -15.092 569 HAB HEC 158 HT2 HEC 158 -0.038 -0.633 -13.302 570 1HBB HEC 158 1HT HEC 158 -1.760 0.656 -12.555 571 2HBB HEC 158 2HT HEC 158 -1.559 0.990 -14.292 572 3HBB HEC 158 3HT HEC 158 -2.908 -0.026 -13.731 573 1HMC HEC 158 1HM HEC 158 -0.501 1.644 -9.742 574 2HMC HEC 158 2HM HEC 158 0.488 1.896 -8.285 575 3HMC HEC 158 3HM HEC 158 1.173 1.044 -9.688 576 HAC HEC 158 HT4 HEC 158 0.204 -0.462 -5.126 577 1HBC HEC 158 1HT HEC 158 -0.443 1.872 -6.393 578 2HBC HEC 158 2HT HEC 158 0.382 1.788 -4.818 579 3HBC HEC 158 3HT HEC 158 1.329 2.026 -6.307 580 1HMD HEC 158 1HM HEC 158 -2.397 -3.798 -2.857 581 2HMD HEC 158 2HM HEC 158 -1.106 -5.023 -2.860 582 3HMD HEC 158 3HM HEC 158 -0.765 -3.370 -3.423 583 1HAD HEC 158 1HA HEC 158 -3.337 -6.191 -3.215 584 2HAD HEC 158 2HA HEC 158 -4.342 -6.849 -4.529 585 1HBD HEC 158 3HB HEC 158 -1.771 -7.861 -3.394 586 2HBD HEC 158 4HB HEC 158 -3.272 -8.732 -3.795 Start of MODEL 3 1 H ALA 1 HN ALA 1 3.707 -9.547 9.908 2 HA ALA 1 HA ALA 1 6.568 -9.679 10.572 3 1HB ALA 1 1HB ALA 1 4.994 -10.849 8.313 4 2HB ALA 1 2HB ALA 1 6.585 -10.153 7.920 5 3HB ALA 1 3HB ALA 1 6.456 -11.459 9.123 6 H ASP 2 HN ASP 2 7.915 -8.097 9.469 7 HA ASP 2 HA ASP 2 6.787 -5.600 9.434 8 1HB ASP 2 2HB ASP 2 9.280 -6.542 7.942 9 2HB ASP 2 3HB ASP 2 8.919 -4.880 8.363 10 H VAL 3 HN VAL 3 8.203 -7.406 6.591 11 HA VAL 3 HA VAL 3 6.592 -5.816 4.791 12 HB VAL 3 HB VAL 3 8.933 -6.221 4.304 13 1HG1 VAL 3 1HG VAL 3 9.613 -8.578 3.597 14 2HG1 VAL 3 2HG VAL 3 9.418 -8.293 5.342 15 3HG1 VAL 3 3HG VAL 3 8.145 -9.141 4.432 16 1HG2 VAL 3 1HG VAL 3 6.748 -6.756 2.537 17 2HG2 VAL 3 2HG VAL 3 8.348 -6.072 2.159 18 3HG2 VAL 3 3HG VAL 3 8.098 -7.833 2.103 19 H VAL 4 HN VAL 4 4.954 -6.628 3.419 20 HA VAL 4 HA VAL 4 4.070 -9.350 4.079 21 HB VAL 4 HB VAL 4 2.358 -6.885 3.702 22 1HG1 VAL 4 1HG VAL 4 1.768 -9.751 3.585 23 2HG1 VAL 4 2HG VAL 4 0.783 -8.890 4.791 24 3HG1 VAL 4 3HG VAL 4 0.779 -8.355 3.094 25 1HG2 VAL 4 1HG VAL 4 2.146 -6.690 5.958 26 2HG2 VAL 4 2HG VAL 4 2.306 -8.441 6.238 27 3HG2 VAL 4 3HG VAL 4 3.755 -7.452 5.936 28 H THR 5 HN THR 5 5.846 -8.702 1.959 29 HA THR 5 HA THR 5 4.840 -8.000 -0.450 30 HB THR 5 HB THR 5 6.797 -10.202 0.369 31 HG1 THR 5 HG1 THR 5 8.222 -8.397 -0.283 32 1HG2 THR 5 1HG THR 5 7.661 -10.149 -1.914 33 2HG2 THR 5 2HG THR 5 5.924 -10.526 -2.022 34 3HG2 THR 5 3HG THR 5 6.501 -8.879 -2.375 35 H TYR 6 HN TYR 6 3.408 -8.693 -1.938 36 HA TYR 6 HA TYR 6 1.773 -10.952 -1.179 37 1HB TYR 6 2HB TYR 6 1.797 -8.552 -2.985 38 2HB TYR 6 3HB TYR 6 0.989 -9.939 -3.690 39 HD1 TYR 6 HD1 TYR 6 0.767 -7.263 -1.254 40 HD2 TYR 6 HD2 TYR 6 -0.996 -10.953 -2.509 41 HE1 TYR 6 HE1 TYR 6 -1.342 -6.709 0.053 42 HE2 TYR 6 HE2 TYR 6 -3.099 -10.386 -1.199 43 HH TYR 6 HH TYR 6 -4.201 -8.733 -0.197 44 H GLU 7 HN GLU 7 0.923 -12.073 -3.502 45 HA GLU 7 HA GLU 7 3.245 -12.781 -5.043 46 1HB GLU 7 2HB GLU 7 1.970 -14.583 -3.039 47 2HB GLU 7 3HB GLU 7 2.261 -15.309 -4.608 48 1HG GLU 7 2HG GLU 7 4.550 -13.696 -3.640 49 2HG GLU 7 3HG GLU 7 4.151 -15.025 -2.570 50 H ASN 8 HN ASN 8 1.031 -11.237 -5.800 51 HA ASN 8 HA ASN 8 -1.108 -12.649 -6.775 52 1HB ASN 8 2HB ASN 8 -1.319 -10.663 -8.394 53 2HB ASN 8 3HB ASN 8 -1.212 -10.230 -6.698 54 1HD2 ASN 8 1HD ASN 8 -0.289 -8.289 -6.812 55 2HD2 ASN 8 2HD ASN 8 1.277 -7.945 -7.468 56 H LYS 9 HN LYS 9 -1.495 -12.490 -9.432 57 HA LYS 9 HA LYS 9 0.728 -14.022 -10.550 58 1HB LYS 9 2HB LYS 9 -2.231 -13.908 -11.105 59 2HB LYS 9 3HB LYS 9 -1.124 -14.534 -12.311 60 1HG LYS 9 2HG LYS 9 -0.219 -16.158 -10.623 61 2HG LYS 9 3HG LYS 9 -1.349 -15.542 -9.435 62 1HD LYS 9 2HD LYS 9 -3.241 -16.409 -10.588 63 2HD LYS 9 3HD LYS 9 -2.377 -16.545 -12.106 64 1HE LYS 9 2HE LYS 9 -0.847 -18.217 -10.580 65 2HE LYS 9 3HE LYS 9 -2.377 -18.398 -9.747 66 1HZ LYS 9 1HZ LYS 9 -2.696 -19.885 -11.366 67 2HZ LYS 9 2HZ LYS 9 -3.171 -18.594 -12.246 68 3HZ LYS 9 3HZ LYS 9 -1.659 -19.188 -12.417 69 H LYS 10 HN LYS 10 0.060 -10.886 -10.243 70 HA LYS 10 HA LYS 10 1.090 -10.310 -12.913 71 1HB LYS 10 2HB LYS 10 -1.322 -9.950 -13.061 72 2HB LYS 10 3HB LYS 10 -1.287 -8.913 -11.648 73 1HG LYS 10 2HG LYS 10 -1.030 -7.211 -13.151 74 2HG LYS 10 3HG LYS 10 0.649 -7.711 -13.197 75 1HD LYS 10 2HD LYS 10 -1.140 -9.287 -14.980 76 2HD LYS 10 3HD LYS 10 -1.024 -7.590 -15.401 77 1HE LYS 10 2HE LYS 10 1.553 -9.005 -14.763 78 2HE LYS 10 3HE LYS 10 0.766 -9.437 -16.269 79 1HZ LYS 10 1HZ LYS 10 2.337 -7.526 -16.354 80 2HZ LYS 10 2HZ LYS 10 0.860 -7.228 -16.985 81 3HZ LYS 10 3HZ LYS 10 1.249 -6.647 -15.509 82 H GLY 11 HN GLY 11 3.099 -10.306 -11.584 83 1HA GLY 11 1HA GLY 11 4.743 -9.197 -10.530 84 2HA GLY 11 2HA GLY 11 3.916 -7.715 -10.963 85 H ASN 12 HN ASN 12 4.658 -9.983 -8.412 86 HA ASN 12 HA ASN 12 2.636 -9.243 -6.640 87 1HB ASN 12 2HB ASN 12 4.279 -10.187 -4.894 88 2HB ASN 12 3HB ASN 12 3.863 -11.280 -6.199 89 1HD2 ASN 12 1HD ASN 12 6.323 -10.033 -4.413 90 2HD2 ASN 12 2HD ASN 12 7.676 -10.314 -5.457 91 H VAL 13 HN VAL 13 2.688 -7.660 -4.910 92 HA VAL 13 HA VAL 13 4.608 -5.524 -5.360 93 HB VAL 13 HB VAL 13 3.114 -4.172 -4.086 94 1HG1 VAL 13 1HG VAL 13 0.927 -5.519 -5.440 95 2HG1 VAL 13 2HG VAL 13 1.711 -3.966 -5.812 96 3HG1 VAL 13 3HG VAL 13 2.387 -5.481 -6.457 97 1HG2 VAL 13 1HG VAL 13 1.650 -4.889 -2.530 98 2HG2 VAL 13 2HG VAL 13 1.055 -6.216 -3.557 99 3HG2 VAL 13 3HG VAL 13 2.553 -6.419 -2.619 100 H THR 14 HN THR 14 5.772 -4.536 -3.540 101 HA THR 14 HA THR 14 6.479 -6.586 -1.557 102 HB THR 14 HB THR 14 7.950 -4.184 -2.751 103 HG1 THR 14 HG1 THR 14 7.728 -6.328 -3.880 104 1HG2 THR 14 1HG THR 14 8.517 -5.888 -0.327 105 2HG2 THR 14 2HG THR 14 9.874 -5.552 -1.429 106 3HG2 THR 14 3HG THR 14 9.000 -4.207 -0.658 107 H PHE 15 HN PHE 15 4.374 -6.010 -0.467 108 HA PHE 15 HA PHE 15 3.724 -3.607 0.554 109 1HB PHE 15 2HB PHE 15 3.334 -6.452 1.097 110 2HB PHE 15 3HB PHE 15 3.493 -5.626 2.635 111 HD1 PHE 15 HD1 PHE 15 1.643 -5.373 -0.595 112 HD2 PHE 15 HD2 PHE 15 1.624 -4.642 3.586 113 HE1 PHE 15 HE1 PHE 15 -0.758 -4.654 -0.732 114 HE2 PHE 15 HE2 PHE 15 -0.778 -3.923 3.448 115 HZ PHE 15 HZ PHE 15 -1.939 -3.938 1.291 116 H ASP 16 HN ASP 16 3.903 -2.792 2.883 117 HA ASP 16 HA ASP 16 6.378 -3.526 4.145 118 1HB ASP 16 2HB ASP 16 5.765 -0.651 3.312 119 2HB ASP 16 3HB ASP 16 7.132 -1.148 4.289 120 H HIS 17 HN HIS 17 5.760 -3.766 6.297 121 HA HIS 17 HA HIS 17 3.532 -2.112 7.217 122 1HB HIS 17 2HB HIS 17 3.690 -4.789 7.245 123 2HB HIS 17 3HB HIS 17 4.488 -4.472 8.773 124 HD1 HIS 17 HD1 HIS 17 2.955 -4.317 10.737 125 HD2 HIS 17 HD2 HIS 17 1.016 -3.343 7.147 126 HE1 HIS 17 HE1 HIS 17 0.509 -3.907 11.334 127 H LYS 18 HN LYS 18 6.754 -3.447 8.212 128 HA LYS 18 HA LYS 18 6.870 -1.474 10.335 129 1HB LYS 18 2HB LYS 18 7.601 -4.023 10.368 130 2HB LYS 18 3HB LYS 18 9.096 -3.383 9.716 131 1HG LYS 18 2HG LYS 18 8.839 -1.599 11.690 132 2HG LYS 18 3HG LYS 18 7.806 -2.828 12.394 133 1HD LYS 18 2HD LYS 18 9.855 -4.442 11.761 134 2HD LYS 18 3HD LYS 18 10.765 -2.945 11.803 135 1HE LYS 18 2HE LYS 18 10.799 -2.995 14.070 136 2HE LYS 18 3HE LYS 18 9.047 -2.985 14.122 137 1HZ LYS 18 1HZ LYS 18 9.027 -5.331 13.959 138 2HZ LYS 18 2HZ LYS 18 10.633 -5.416 13.675 139 3HZ LYS 18 3HZ LYS 18 10.086 -4.947 15.141 140 H ALA 19 HN ALA 19 8.235 -2.205 7.121 141 HA ALA 19 HA ALA 19 10.332 -0.334 7.251 142 1HB ALA 19 1HB ALA 19 9.123 -0.864 4.605 143 2HB ALA 19 2HB ALA 19 10.785 -1.139 5.180 144 3HB ALA 19 3HB ALA 19 9.512 -2.330 5.537 145 H HIS 20 HN HIS 20 6.862 -0.156 6.373 146 HA HIS 20 HA HIS 20 7.127 2.524 5.410 147 1HB HIS 20 2HB HIS 20 4.986 0.487 5.646 148 2HB HIS 20 3HB HIS 20 4.453 2.153 5.748 149 HD1 HIS 20 HD1 HIS 20 7.402 1.362 3.553 150 HD2 HIS 20 HD2 HIS 20 3.266 1.955 3.175 151 HE1 HIS 20 HE1 HIS 20 6.942 1.624 1.057 152 H ALA 21 HN ALA 21 5.409 0.979 8.223 153 HA ALA 21 HA ALA 21 4.550 3.142 9.538 154 1HB ALA 21 1HB ALA 21 5.999 0.785 10.809 155 2HB ALA 21 2HB ALA 21 4.777 1.825 11.581 156 3HB ALA 21 3HB ALA 21 4.314 0.757 10.235 157 H GLU 22 HN GLU 22 7.926 2.148 9.059 158 HA GLU 22 HA GLU 22 9.182 3.460 11.042 159 1HB GLU 22 2HB GLU 22 9.928 3.080 8.122 160 2HB GLU 22 3HB GLU 22 11.031 3.849 9.247 161 1HG GLU 22 2HG GLU 22 9.977 1.433 10.468 162 2HG GLU 22 3HG GLU 22 10.578 1.043 8.869 163 H LYS 23 HN LYS 23 8.169 4.861 7.846 164 HA LYS 23 HA LYS 23 8.815 7.508 8.850 165 1HB LYS 23 2HB LYS 23 8.309 6.282 6.176 166 2HB LYS 23 3HB LYS 23 7.899 7.973 6.375 167 1HG LYS 23 2HG LYS 23 10.570 7.053 7.429 168 2HG LYS 23 3HG LYS 23 10.383 7.179 5.691 169 1HD LYS 23 2HD LYS 23 9.616 9.452 7.572 170 2HD LYS 23 3HD LYS 23 11.236 9.285 6.927 171 1HE LYS 23 2HE LYS 23 10.615 10.123 4.903 172 2HE LYS 23 3HE LYS 23 9.256 9.022 4.785 173 1HZ LYS 23 1HZ LYS 23 9.332 11.712 5.812 174 2HZ LYS 23 2HZ LYS 23 8.146 10.940 5.000 175 3HZ LYS 23 3HZ LYS 23 8.344 10.678 6.599 176 H LEU 24 HN LEU 24 6.013 5.489 7.841 177 HA LEU 24 HA LEU 24 4.145 7.598 8.205 178 1HB LEU 24 2HB LEU 24 3.811 4.604 7.979 179 2HB LEU 24 3HB LEU 24 2.487 5.751 8.018 180 HG LEU 24 HG LEU 24 3.624 6.839 5.961 181 1HD1 LEU 24 1HD LEU 24 5.747 5.831 5.916 182 2HD1 LEU 24 2HD LEU 24 5.072 4.194 6.103 183 3HD1 LEU 24 3HD LEU 24 4.847 5.081 4.576 184 1HD2 LEU 24 1HD LEU 24 1.707 5.977 5.212 185 2HD2 LEU 24 2HD LEU 24 2.690 4.607 4.641 186 3HD2 LEU 24 3HD LEU 24 1.865 4.515 6.215 187 H GLY 25 HN GLY 25 3.179 4.695 9.831 188 1HA GLY 25 1HA GLY 25 3.915 4.511 12.281 189 2HA GLY 25 2HA GLY 25 3.287 6.143 12.395 190 H CYS 26 HN CYS 26 2.006 3.419 10.392 191 HA CYS 26 HA CYS 26 0.114 2.302 10.463 192 1HB CYS 26 2HB CYS 26 -0.827 3.210 13.112 193 2HB CYS 26 3HB CYS 26 -0.764 1.601 12.420 194 H ASP 27 HN ASP 27 -0.360 5.391 12.344 195 HA ASP 27 HA ASP 27 -2.879 5.865 11.279 196 1HB ASP 27 2HB ASP 27 -0.802 7.764 12.464 197 2HB ASP 27 3HB ASP 27 -2.451 8.241 12.108 198 H ALA 28 HN ALA 28 -1.916 5.265 8.939 199 HA ALA 28 HA ALA 28 -1.456 7.810 7.595 200 1HB ALA 28 1HB ALA 28 0.237 5.344 7.045 201 2HB ALA 28 2HB ALA 28 0.428 6.972 6.351 202 3HB ALA 28 3HB ALA 28 0.770 6.694 8.076 203 H CYS 29 HN CYS 29 -2.018 4.240 7.349 204 HA CYS 29 HA CYS 29 -3.760 4.842 5.069 205 1HB CYS 29 2HB CYS 29 -3.255 2.129 4.956 206 2HB CYS 29 3HB CYS 29 -2.557 3.373 3.938 207 H HIS 30 HN HIS 30 -3.586 4.072 8.360 208 HA HIS 30 HA HIS 30 -6.137 2.635 8.226 209 1HB HIS 30 2HB HIS 30 -4.022 2.520 10.395 210 2HB HIS 30 3HB HIS 30 -5.556 1.673 10.416 211 HD1 HIS 30 HD1 HIS 30 -5.859 0.042 8.099 212 HD2 HIS 30 HD2 HIS 30 -1.998 0.959 9.457 213 HE1 HIS 30 HE1 HIS 30 -4.311 -1.718 7.093 214 H GLU 31 HN GLU 31 -6.883 2.971 10.940 215 HA GLU 31 HA GLU 31 -6.607 5.499 11.927 216 1HB GLU 31 2HB GLU 31 -8.197 5.554 9.574 217 2HB GLU 31 3HB GLU 31 -9.328 5.711 10.902 218 1HG GLU 31 2HG GLU 31 -7.331 7.417 11.739 219 2HG GLU 31 3HG GLU 31 -7.191 7.589 10.001 220 H GLY 32 HN GLY 32 -7.064 5.074 14.040 221 1HA GLY 32 1HA GLY 32 -8.291 4.471 15.849 222 2HA GLY 32 2HA GLY 32 -9.607 3.981 14.801 223 H THR 33 HN THR 33 -8.604 2.010 13.182 224 HA THR 33 HA THR 33 -7.150 0.118 14.843 225 HB THR 33 HB THR 33 -9.968 -0.423 13.767 226 HG1 THR 33 HG1 THR 33 -10.223 0.770 15.661 227 1HG2 THR 33 1HG THR 33 -9.785 -2.572 14.670 228 2HG2 THR 33 2HG THR 33 -8.089 -2.332 14.190 229 3HG2 THR 33 3HG THR 33 -8.581 -2.067 15.879 230 HA PRO 34 HA PRO 34 -5.710 -0.315 10.728 231 1HB PRO 34 2HB PRO 34 -3.244 -1.297 11.377 232 2HB PRO 34 3HB PRO 34 -3.586 0.415 11.232 233 1HG PRO 34 2HG PRO 34 -3.204 -1.200 13.679 234 2HG PRO 34 3HG PRO 34 -3.121 0.540 13.489 235 1HD PRO 34 2HD PRO 34 -5.283 -0.960 14.628 236 2HD PRO 34 3HD PRO 34 -5.248 0.767 14.331 237 H ALA 35 HN ALA 35 -7.639 -2.015 11.408 238 HA ALA 35 HA ALA 35 -6.727 -4.657 11.687 239 1HB ALA 35 1HB ALA 35 -9.313 -4.191 10.310 240 2HB ALA 35 2HB ALA 35 -8.952 -5.119 11.785 241 3HB ALA 35 3HB ALA 35 -9.126 -3.350 11.867 242 H LYS 36 HN LYS 36 -7.837 -6.227 9.747 243 HA LYS 36 HA LYS 36 -5.984 -5.849 7.613 244 1HB LYS 36 2HB LYS 36 -6.732 -7.996 6.853 245 2HB LYS 36 3HB LYS 36 -6.548 -8.060 8.595 246 1HG LYS 36 2HG LYS 36 -8.685 -8.810 8.718 247 2HG LYS 36 3HG LYS 36 -9.213 -7.213 8.230 248 1HD LYS 36 2HD LYS 36 -8.332 -8.630 5.866 249 2HD LYS 36 3HD LYS 36 -9.416 -9.678 6.759 250 1HE LYS 36 2HE LYS 36 -10.635 -7.115 6.860 251 2HE LYS 36 3HE LYS 36 -10.035 -7.264 5.219 252 1HZ LYS 36 1HZ LYS 36 -12.246 -8.191 5.508 253 2HZ LYS 36 2HZ LYS 36 -11.187 -9.334 5.016 254 3HZ LYS 36 3HZ LYS 36 -11.677 -9.291 6.572 255 H ILE 37 HN ILE 37 -6.283 -4.556 5.887 256 HA ILE 37 HA ILE 37 -8.915 -3.531 5.361 257 HB ILE 37 HB ILE 37 -6.242 -3.065 4.035 258 1HG1 ILE 37 2HG ILE 37 -7.786 -1.473 6.102 259 2HG1 ILE 37 3HG ILE 37 -6.267 -2.313 6.345 260 1HG2 ILE 37 1HG ILE 37 -7.743 -2.495 2.363 261 2HG2 ILE 37 2HG ILE 37 -8.977 -1.929 3.514 262 3HG2 ILE 37 3HG ILE 37 -7.516 -0.954 3.224 263 1HD1 ILE 37 1HD ILE 37 -5.393 -0.231 5.897 264 2HD1 ILE 37 2HD ILE 37 -5.564 -0.775 4.211 265 3HD1 ILE 37 3HD ILE 37 -6.806 0.270 4.940 266 H ALA 38 HN ALA 38 -9.898 -3.606 3.163 267 HA ALA 38 HA ALA 38 -9.790 -6.319 2.198 268 1HB ALA 38 1HB ALA 38 -11.948 -5.873 1.766 269 2HB ALA 38 2HB ALA 38 -11.705 -4.215 2.369 270 3HB ALA 38 3HB ALA 38 -11.478 -4.576 0.641 271 H ILE 39 HN ILE 39 -7.721 -6.523 1.224 272 HA ILE 39 HA ILE 39 -7.345 -4.796 -1.122 273 HB ILE 39 HB ILE 39 -5.351 -6.169 0.675 274 1HG1 ILE 39 2HG ILE 39 -6.361 -3.988 1.415 275 2HG1 ILE 39 3HG ILE 39 -4.615 -3.995 1.262 276 1HG2 ILE 39 1HG ILE 39 -5.081 -5.900 -2.067 277 2HG2 ILE 39 2HG ILE 39 -4.242 -4.467 -1.422 278 3HG2 ILE 39 3HG ILE 39 -3.762 -6.095 -0.887 279 1HD1 ILE 39 1HD ILE 39 -6.173 -2.059 0.177 280 2HD1 ILE 39 2HD ILE 39 -4.620 -2.551 -0.540 281 3HD1 ILE 39 3HD ILE 39 -6.144 -3.201 -1.189 282 H ASP 40 HN ASP 40 -7.090 -5.738 -3.136 283 HA ASP 40 HA ASP 40 -6.368 -8.357 -3.532 284 1HB ASP 40 2HB ASP 40 -8.999 -8.221 -2.580 285 2HB ASP 40 3HB ASP 40 -9.222 -8.295 -4.316 286 H LYS 41 HN LYS 41 -8.780 -5.849 -4.605 287 HA LYS 41 HA LYS 41 -7.358 -5.012 -6.807 288 1HB LYS 41 2HB LYS 41 -7.544 -7.116 -7.867 289 2HB LYS 41 3HB LYS 41 -9.222 -7.309 -7.405 290 1HG LYS 41 2HG LYS 41 -9.963 -6.134 -9.211 291 2HG LYS 41 3HG LYS 41 -8.827 -4.830 -8.931 292 1HD LYS 41 2HD LYS 41 -7.044 -6.598 -9.852 293 2HD LYS 41 3HD LYS 41 -8.459 -7.347 -10.567 294 1HE LYS 41 2HE LYS 41 -8.664 -4.518 -11.057 295 2HE LYS 41 3HE LYS 41 -7.023 -4.991 -11.454 296 1HZ LYS 41 1HZ LYS 41 -9.473 -6.246 -12.483 297 2HZ LYS 41 2HZ LYS 41 -8.438 -5.304 -13.325 298 3HZ LYS 41 3HZ LYS 41 -7.961 -6.776 -12.804 299 H LYS 42 HN LYS 42 -8.472 -3.499 -5.012 300 HA LYS 42 HA LYS 42 -10.508 -2.132 -6.438 301 1HB LYS 42 2HB LYS 42 -11.932 -3.864 -5.489 302 2HB LYS 42 3HB LYS 42 -11.309 -3.552 -3.882 303 1HG LYS 42 2HG LYS 42 -12.115 -1.096 -4.238 304 2HG LYS 42 3HG LYS 42 -13.013 -1.716 -5.608 305 1HD LYS 42 2HD LYS 42 -13.460 -3.454 -3.322 306 2HD LYS 42 3HD LYS 42 -13.756 -1.795 -2.843 307 1HE LYS 42 2HE LYS 42 -15.347 -1.480 -4.691 308 2HE LYS 42 3HE LYS 42 -14.958 -3.056 -5.352 309 1HZ LYS 42 1HZ LYS 42 -16.100 -4.096 -3.717 310 2HZ LYS 42 2HZ LYS 42 -15.864 -2.929 -2.601 311 3HZ LYS 42 3HZ LYS 42 -16.975 -2.719 -3.780 312 H SER 43 HN SER 43 -9.813 -2.457 -2.895 313 HA SER 43 HA SER 43 -9.600 0.273 -2.555 314 1HB SER 43 2HB SER 43 -9.474 -2.073 -0.943 315 2HB SER 43 3HB SER 43 -8.005 -1.182 -0.600 316 HG SER 43 HG SER 43 -9.140 0.269 0.485 317 H ALA 44 HN ALA 44 -7.065 -2.296 -2.927 318 HA ALA 44 HA ALA 44 -4.877 -0.571 -2.678 319 1HB ALA 44 1HB ALA 44 -3.807 -2.546 -2.774 320 2HB ALA 44 2HB ALA 44 -5.382 -3.325 -3.057 321 3HB ALA 44 3HB ALA 44 -4.375 -2.826 -4.438 322 H HIS 45 HN HIS 45 -7.297 -0.832 -5.105 323 HA HIS 45 HA HIS 45 -5.501 0.470 -7.020 324 1HB HIS 45 2HB HIS 45 -7.689 -1.531 -7.347 325 2HB HIS 45 3HB HIS 45 -7.535 -0.301 -8.586 326 HD1 HIS 45 HD1 HIS 45 -6.831 -2.256 -10.248 327 HD2 HIS 45 HD2 HIS 45 -4.158 -1.527 -7.098 328 HE1 HIS 45 HE1 HIS 45 -4.657 -3.440 -10.866 329 H LYS 46 HN LYS 46 -7.630 1.174 -4.647 330 HA LYS 46 HA LYS 46 -8.995 3.242 -6.220 331 1HB LYS 46 2HB LYS 46 -10.502 1.683 -5.093 332 2HB LYS 46 3HB LYS 46 -9.728 1.998 -3.553 333 1HG LYS 46 2HG LYS 46 -10.303 4.541 -4.116 334 2HG LYS 46 3HG LYS 46 -11.483 3.833 -5.201 335 1HD LYS 46 2HD LYS 46 -11.915 2.342 -2.913 336 2HD LYS 46 3HD LYS 46 -11.438 3.880 -2.222 337 1HE LYS 46 2HE LYS 46 -13.197 5.061 -3.438 338 2HE LYS 46 3HE LYS 46 -13.575 3.638 -4.388 339 1HZ LYS 46 1HZ LYS 46 -14.343 2.548 -2.443 340 2HZ LYS 46 2HZ LYS 46 -13.835 3.754 -1.464 341 3HZ LYS 46 3HZ LYS 46 -15.070 4.009 -2.502 342 H ASP 47 HN ASP 47 -8.904 3.568 -2.759 343 HA ASP 47 HA ASP 47 -6.981 5.719 -3.130 344 1HB ASP 47 2HB ASP 47 -9.446 5.358 -1.493 345 2HB ASP 47 3HB ASP 47 -8.126 6.138 -0.645 346 H ALA 48 HN ALA 48 -7.605 2.612 -1.703 347 HA ALA 48 HA ALA 48 -6.334 2.633 0.699 348 1HB ALA 48 1HB ALA 48 -5.859 0.399 -1.273 349 2HB ALA 48 2HB ALA 48 -6.238 0.311 0.464 350 3HB ALA 48 3HB ALA 48 -7.509 0.747 -0.704 351 H CYS 49 HN CYS 49 -4.792 2.046 -2.543 352 HA CYS 49 HA CYS 49 -2.215 2.508 -1.274 353 1HB CYS 49 2HB CYS 49 -3.168 0.963 -3.566 354 2HB CYS 49 3HB CYS 49 -1.752 1.925 -3.943 355 H LYS 50 HN LYS 50 -3.806 3.357 -4.445 356 HA LYS 50 HA LYS 50 -2.226 5.561 -4.958 357 1HB LYS 50 2HB LYS 50 -4.993 4.751 -5.857 358 2HB LYS 50 3HB LYS 50 -4.244 6.230 -6.421 359 1HG LYS 50 2HG LYS 50 -2.171 4.472 -6.808 360 2HG LYS 50 3HG LYS 50 -3.531 3.390 -7.028 361 1HD LYS 50 2HD LYS 50 -3.299 6.072 -8.465 362 2HD LYS 50 3HD LYS 50 -2.697 4.574 -9.146 363 1HE LYS 50 2HE LYS 50 -5.441 4.229 -8.179 364 2HE LYS 50 3HE LYS 50 -5.350 5.575 -9.297 365 1HZ LYS 50 1HZ LYS 50 -5.176 4.135 -10.930 366 2HZ LYS 50 2HZ LYS 50 -3.816 3.485 -10.300 367 3HZ LYS 50 3HZ LYS 50 -5.277 2.881 -9.890 368 H THR 51 HN THR 51 -1.876 6.857 -3.124 369 HA THR 51 HA THR 51 -3.682 8.950 -2.747 370 HB THR 51 HB THR 51 -3.972 6.555 -0.938 371 HG1 THR 51 HG1 THR 51 -5.680 7.158 -2.367 372 1HG2 THR 51 1HG THR 51 -3.132 8.581 0.485 373 2HG2 THR 51 2HG THR 51 -4.646 9.379 -0.004 374 3HG2 THR 51 3HG THR 51 -4.700 7.870 0.937 375 H CYS 52 HN CYS 52 -1.272 6.908 -0.972 376 HA CYS 52 HA CYS 52 -0.083 9.263 0.130 377 1HB CYS 52 2HB CYS 52 -0.227 6.714 0.983 378 2HB CYS 52 3HB CYS 52 1.347 6.662 0.216 379 H HIS 53 HN HIS 53 0.950 6.598 -2.134 380 HA HIS 53 HA HIS 53 3.356 7.614 -2.874 381 1HB HIS 53 2HB HIS 53 1.324 6.085 -4.519 382 2HB HIS 53 3HB HIS 53 2.973 6.374 -5.034 383 HD1 HIS 53 HD1 HIS 53 3.327 3.744 -5.013 384 HD2 HIS 53 HD2 HIS 53 2.562 5.473 -1.269 385 HE1 HIS 53 HE1 HIS 53 3.958 1.989 -3.272 386 H LYS 54 HN LYS 54 0.237 8.119 -4.685 387 HA LYS 54 HA LYS 54 1.405 10.192 -6.245 388 1HB LYS 54 2HB LYS 54 -0.930 10.457 -7.090 389 2HB LYS 54 3HB LYS 54 -0.283 8.836 -7.244 390 1HG LYS 54 2HG LYS 54 -1.588 8.004 -5.424 391 2HG LYS 54 3HG LYS 54 -1.901 9.608 -4.793 392 1HD LYS 54 2HD LYS 54 -2.959 9.778 -7.365 393 2HD LYS 54 3HD LYS 54 -3.313 8.117 -6.932 394 1HE LYS 54 2HE LYS 54 -4.196 9.103 -4.669 395 2HE LYS 54 3HE LYS 54 -4.178 10.651 -5.491 396 1HZ LYS 54 1HZ LYS 54 -5.666 8.258 -6.314 397 2HZ LYS 54 2HZ LYS 54 -6.290 9.666 -5.770 398 3HZ LYS 54 3HZ LYS 54 -5.553 9.608 -7.226 399 H SER 55 HN SER 55 2.186 11.129 -3.966 400 HA SER 55 HA SER 55 0.439 13.373 -3.554 401 1HB SER 55 2HB SER 55 -0.044 11.436 -1.828 402 2HB SER 55 3HB SER 55 1.463 11.941 -1.088 403 HG SER 55 HG SER 55 0.612 13.998 -0.676 404 H ASN 56 HN ASN 56 3.462 11.612 -2.608 405 HA ASN 56 HA ASN 56 4.769 14.217 -2.539 406 1HB ASN 56 2HB ASN 56 4.739 12.178 -0.597 407 2HB ASN 56 3HB ASN 56 6.277 11.932 -1.399 408 1HD2 ASN 56 1HD ASN 56 5.828 12.801 1.281 409 2HD2 ASN 56 2HD ASN 56 6.526 14.375 1.476 410 H ASN 57 HN ASN 57 5.689 10.703 -2.926 411 HA ASN 57 HA ASN 57 6.380 10.946 -5.597 412 1HB ASN 57 2HB ASN 57 8.888 10.769 -5.379 413 2HB ASN 57 3HB ASN 57 8.278 12.317 -4.833 414 1HD2 ASN 57 1HD ASN 57 10.336 9.880 -4.139 415 2HD2 ASN 57 2HD ASN 57 10.498 10.039 -2.422 416 H GLY 58 HN GLY 58 6.443 8.799 -6.357 417 1HA GLY 58 1HA GLY 58 7.726 6.641 -5.333 418 2HA GLY 58 2HA GLY 58 6.227 6.672 -4.425 419 HA PRO 59 HA PRO 59 5.367 4.557 -8.358 420 1HB PRO 59 2HB PRO 59 4.443 2.200 -7.329 421 2HB PRO 59 3HB PRO 59 6.105 2.439 -7.834 422 1HG PRO 59 2HG PRO 59 4.999 2.323 -5.095 423 2HG PRO 59 3HG PRO 59 6.661 2.135 -5.616 424 1HD PRO 59 2HD PRO 59 5.501 4.451 -4.386 425 2HD PRO 59 3HD PRO 59 7.130 4.303 -5.012 426 H THR 60 HN THR 60 3.603 5.137 -9.446 427 HA THR 60 HA THR 60 1.052 4.490 -8.483 428 HB THR 60 HB THR 60 1.543 6.248 -6.789 429 HG1 THR 60 HG1 THR 60 -0.143 7.151 -9.017 430 1HG2 THR 60 1HG THR 60 2.714 8.117 -7.385 431 2HG2 THR 60 2HG THR 60 2.689 7.617 -9.093 432 3HG2 THR 60 3HG THR 60 1.353 8.588 -8.431 433 H LYS 61 HN LYS 61 2.353 3.993 -10.854 434 HA LYS 61 HA LYS 61 0.568 5.336 -12.659 435 1HB LYS 61 2HB LYS 61 2.295 6.179 -14.160 436 2HB LYS 61 3HB LYS 61 2.391 6.955 -12.592 437 1HG LYS 61 2HG LYS 61 4.158 5.146 -11.985 438 2HG LYS 61 3HG LYS 61 4.194 4.762 -13.694 439 1HD LYS 61 2HD LYS 61 4.431 7.670 -13.033 440 2HD LYS 61 3HD LYS 61 5.777 6.674 -12.518 441 1HE LYS 61 2HE LYS 61 5.996 5.768 -14.845 442 2HE LYS 61 3HE LYS 61 4.653 6.769 -15.360 443 1HZ LYS 61 1HZ LYS 61 7.292 7.493 -15.193 444 2HZ LYS 61 2HZ LYS 61 6.028 8.458 -15.562 445 3HZ LYS 61 3HZ LYS 61 6.539 8.339 -14.017 446 H CYS 62 HN CYS 62 0.963 2.644 -11.538 447 HA CYS 62 HA CYS 62 0.651 0.619 -12.392 448 1HB CYS 62 2HB CYS 62 0.060 1.900 -14.579 449 2HB CYS 62 3HB CYS 62 1.655 1.408 -15.111 450 H GLY 63 HN GLY 63 3.418 1.967 -14.344 451 1HA GLY 63 1HA GLY 63 5.117 -0.232 -13.769 452 2HA GLY 63 2HA GLY 63 5.558 1.285 -14.528 453 H GLY 64 HN GLY 64 4.382 0.234 -11.243 454 1HA GLY 64 1HA GLY 64 6.754 1.530 -10.076 455 2HA GLY 64 2HA GLY 64 5.155 1.997 -9.528 456 H CYS 65 HN CYS 65 3.762 0.394 -8.468 457 HA CYS 65 HA CYS 65 5.176 -1.213 -6.694 458 1HB CYS 65 2HB CYS 65 2.260 -1.563 -7.375 459 2HB CYS 65 3HB CYS 65 3.071 -1.918 -5.863 460 H HIS 66 HN HIS 66 3.154 -1.990 -9.615 461 HA HIS 66 HA HIS 66 3.647 -4.747 -9.484 462 1HB HIS 66 2HB HIS 66 2.487 -2.838 -11.461 463 2HB HIS 66 3HB HIS 66 2.993 -4.405 -12.061 464 HD1 HIS 66 HD1 HIS 66 1.114 -6.034 -12.095 465 HD2 HIS 66 HD2 HIS 66 0.785 -3.336 -8.900 466 HE1 HIS 66 HE1 HIS 66 -1.025 -6.656 -10.851 467 H ILE 67 HN ILE 67 5.157 -6.070 -10.556 468 HA ILE 67 HA ILE 67 7.291 -4.621 -11.952 469 HB ILE 67 HB ILE 67 7.655 -6.818 -9.912 470 1HG1 ILE 67 2HG ILE 67 7.022 -4.380 -9.180 471 2HG1 ILE 67 3HG ILE 67 8.288 -5.263 -8.352 472 1HG2 ILE 67 1HG ILE 67 9.663 -5.272 -11.571 473 2HG2 ILE 67 2HG ILE 67 10.071 -6.335 -10.205 474 3HG2 ILE 67 3HG ILE 67 9.303 -7.012 -11.660 475 1HD1 ILE 67 1HD ILE 67 9.022 -2.959 -8.879 476 2HD1 ILE 67 2HD ILE 67 10.011 -4.147 -9.761 477 3HD1 ILE 67 3HD ILE 67 8.726 -3.254 -10.609 478 H LYS 68 HN LYS 68 7.182 -5.251 -14.039 479 HA LYS 68 HA LYS 68 6.031 -7.795 -14.696 480 1HB LYS 68 2HB LYS 68 6.214 -7.060 -16.976 481 2HB LYS 68 3HB LYS 68 5.599 -5.736 -16.006 482 1HG LYS 68 2HG LYS 68 8.228 -5.152 -15.802 483 2HG LYS 68 3HG LYS 68 8.298 -6.045 -17.307 484 1HD LYS 68 2HD LYS 68 6.045 -4.141 -17.257 485 2HD LYS 68 3HD LYS 68 7.587 -3.342 -17.013 486 1HE LYS 68 2HE LYS 68 8.338 -4.910 -19.065 487 2HE LYS 68 3HE LYS 68 6.618 -4.913 -19.403 488 1HZ LYS 68 1HZ LYS 68 8.178 -2.459 -18.988 489 2HZ LYS 68 2HZ LYS 68 7.857 -3.094 -20.458 490 3HZ LYS 68 3HZ LYS 68 6.635 -2.562 -19.514 491 HHA HEC 98 HGM HEC 98 -4.143 -5.306 7.964 492 HHB HEC 98 HDM HEC 98 -1.609 -2.846 13.112 493 HHC HEC 98 HAM HEC 98 1.718 1.110 9.452 494 HHD HEC 98 HBM HEC 98 -1.256 -1.156 4.469 495 1HMA HEC 98 1HM HEC 98 -3.278 -6.361 13.029 496 2HMA HEC 98 2HM HEC 98 -2.013 -5.226 13.554 497 3HMA HEC 98 3HM HEC 98 -3.724 -4.741 13.615 498 1HAA HEC 98 1HA HEC 98 -4.387 -7.041 11.263 499 2HAA HEC 98 2HA HEC 98 -5.101 -6.303 9.809 500 1HBA HEC 98 3HB HEC 98 -4.059 -7.962 8.600 501 2HBA HEC 98 4HB HEC 98 -2.528 -7.129 8.960 502 1HMB HEC 98 1HM HEC 98 -1.167 -0.215 14.331 503 2HMB HEC 98 2HM HEC 98 -0.305 -1.763 14.491 504 3HMB HEC 98 3HM HEC 98 0.593 -0.230 14.592 505 HAB HEC 98 HT2 HEC 98 2.193 1.573 11.351 506 1HBB HEC 98 1HT HEC 98 3.741 1.326 13.204 507 2HBB HEC 98 2HT HEC 98 2.919 -0.197 13.617 508 3HBB HEC 98 3HT HEC 98 3.694 -0.007 12.026 509 1HMC HEC 98 1HM HEC 98 1.737 3.012 7.622 510 2HMC HEC 98 2HM HEC 98 3.019 1.780 7.679 511 3HMC HEC 98 3HM HEC 98 2.492 2.446 6.115 512 HAC HEC 98 HT4 HEC 98 -0.755 1.571 4.336 513 1HBC HEC 98 1HT HEC 98 1.523 0.855 2.775 514 2HBC HEC 98 2HT HEC 98 1.124 -0.551 3.791 515 3HBC HEC 98 3HT HEC 98 -0.111 0.153 2.719 516 1HMD HEC 98 1HM HEC 98 -2.013 -2.389 2.961 517 2HMD HEC 98 2HM HEC 98 -3.152 -3.753 2.864 518 3HMD HEC 98 3HM HEC 98 -3.760 -2.107 3.160 519 1HAD HEC 98 1HA HEC 98 -4.694 -5.732 5.778 520 2HAD HEC 98 2HA HEC 98 -4.733 -4.898 4.206 521 1HBD HEC 98 3HB HEC 98 -2.375 -5.834 3.862 522 2HBD HEC 98 4HB HEC 98 -2.749 -6.912 5.229 523 HHA HEC 128 HGM HEC 128 8.523 3.193 -1.310 524 HHB HEC 128 HDM HEC 128 4.410 -1.108 -3.197 525 HHC HEC 128 HAM HEC 128 0.111 1.456 0.683 526 HHD HEC 128 HBM HEC 128 4.204 5.938 2.094 527 1HMA HEC 128 1HM HEC 128 7.058 -1.059 -4.684 528 2HMA HEC 128 2HM HEC 128 8.221 -1.624 -3.461 529 3HMA HEC 128 3HM HEC 128 6.510 -2.099 -3.350 530 1HAA HEC 128 1HA HEC 128 9.789 1.203 -1.565 531 2HAA HEC 128 2HA HEC 128 9.684 -0.007 -2.867 532 1HBA HEC 128 3HB HEC 128 8.594 2.547 -3.803 533 2HBA HEC 128 4HB HEC 128 10.233 2.796 -3.156 534 1HMB HEC 128 1HM HEC 128 2.682 -1.794 -3.910 535 2HMB HEC 128 2HM HEC 128 1.643 -2.768 -2.844 536 3HMB HEC 128 3HM HEC 128 0.926 -1.507 -3.874 537 HAB HEC 128 HT2 HEC 128 -0.902 0.080 -0.507 538 1HBB HEC 128 1HT HEC 128 -1.245 -2.569 -0.230 539 2HBB HEC 128 2HT HEC 128 0.446 -2.323 0.268 540 3HBB HEC 128 3HT HEC 128 -0.853 -1.379 1.035 541 1HMC HEC 128 1HM HEC 128 -1.287 3.978 1.613 542 2HMC HEC 128 2HM HEC 128 -0.860 2.346 2.180 543 3HMC HEC 128 3HM HEC 128 -0.712 3.736 3.279 544 HAC HEC 128 HT4 HEC 128 2.176 6.356 3.303 545 1HBC HEC 128 1HT HEC 128 -0.811 5.925 2.901 546 2HBC HEC 128 2HT HEC 128 0.110 5.241 4.261 547 3HBC HEC 128 3HT HEC 128 -0.016 7.006 4.069 548 1HMD HEC 128 1HM HEC 128 6.764 6.811 2.953 549 2HMD HEC 128 2HM HEC 128 7.373 7.639 1.501 550 3HMD HEC 128 3HM HEC 128 5.624 7.590 1.829 551 1HAD HEC 128 1HA HEC 128 9.393 5.388 -0.425 552 2HAD HEC 128 2HA HEC 128 9.030 6.452 0.953 553 1HBD HEC 128 3HB HEC 128 9.525 4.758 2.518 554 2HBD HEC 128 4HB HEC 128 9.541 3.498 1.261 555 HHA HEC 158 HGM HEC 158 -3.516 -7.435 -6.575 556 HHB HEC 158 HDM HEC 158 -3.219 -6.008 -12.645 557 HHC HEC 158 HAM HEC 158 -0.929 -0.313 -11.083 558 HHD HEC 158 HBM HEC 158 -0.866 -2.086 -5.110 559 1HMA HEC 158 1HM HEC 158 -5.584 -7.664 -11.989 560 2HMA HEC 158 2HM HEC 158 -3.963 -8.266 -12.409 561 3HMA HEC 158 3HM HEC 158 -4.980 -9.174 -11.266 562 1HAA HEC 158 1HA HEC 158 -4.831 -8.626 -7.328 563 2HAA HEC 158 2HA HEC 158 -5.949 -8.864 -8.692 564 1HBA HEC 158 3HB HEC 158 -3.812 -10.020 -9.835 565 2HBA HEC 158 4HB HEC 158 -3.277 -10.217 -8.149 566 1HMB HEC 158 1HM HEC 158 -1.487 -3.809 -15.151 567 2HMB HEC 158 2HM HEC 158 -1.875 -5.355 -14.361 568 3HMB HEC 158 3HM HEC 158 -3.184 -4.260 -14.863 569 HAB HEC 158 HT2 HEC 158 -0.423 -0.758 -13.352 570 1HBB HEC 158 1HT HEC 158 -3.327 -0.277 -13.658 571 2HBB HEC 158 2HT HEC 158 -2.117 0.552 -12.650 572 3HBB HEC 158 3HT HEC 158 -2.070 0.726 -14.420 573 1HMC HEC 158 1HM HEC 158 0.918 1.681 -8.760 574 2HMC HEC 158 2HM HEC 158 0.297 1.107 -10.327 575 3HMC HEC 158 3HM HEC 158 -0.766 2.012 -9.225 576 HAC HEC 158 HT4 HEC 158 0.235 -0.218 -5.233 577 1HBC HEC 158 1HT HEC 158 0.676 2.109 -5.070 578 2HBC HEC 158 2HT HEC 158 0.869 2.284 -6.831 579 3HBC HEC 158 3HT HEC 158 -0.744 1.993 -6.138 580 1HMD HEC 158 1HM HEC 158 -1.108 -2.759 -3.273 581 2HMD HEC 158 2HM HEC 158 -2.162 -3.974 -2.511 582 3HMD HEC 158 3HM HEC 158 -0.474 -4.382 -2.906 583 1HAD HEC 158 1HA HEC 158 -2.953 -5.956 -2.848 584 2HAD HEC 158 2HA HEC 158 -4.215 -6.472 -3.994 585 1HBD HEC 158 3HB HEC 158 -1.686 -7.756 -4.570 586 2HBD HEC 158 4HB HEC 158 -2.197 -8.035 -2.888 Start of MODEL 4 1 H ALA 1 HN ALA 1 2.379 -6.430 10.594 2 HA ALA 1 HA ALA 1 4.647 -7.964 11.563 3 1HB ALA 1 1HB ALA 1 2.967 -8.781 9.821 4 2HB ALA 1 2HB ALA 1 3.682 -7.590 8.707 5 3HB ALA 1 3HB ALA 1 4.683 -8.907 9.366 6 H ASP 2 HN ASP 2 6.245 -7.595 9.138 7 HA ASP 2 HA ASP 2 7.172 -4.896 9.725 8 1HB ASP 2 2HB ASP 2 8.694 -7.318 8.649 9 2HB ASP 2 3HB ASP 2 9.401 -5.734 8.894 10 H VAL 3 HN VAL 3 7.403 -7.436 7.106 11 HA VAL 3 HA VAL 3 6.495 -5.431 5.185 12 HB VAL 3 HB VAL 3 9.029 -7.064 5.025 13 1HG1 VAL 3 1HG VAL 3 9.000 -7.035 2.789 14 2HG1 VAL 3 2HG VAL 3 7.282 -6.585 2.902 15 3HG1 VAL 3 3HG VAL 3 8.526 -5.320 2.745 16 1HG2 VAL 3 1HG VAL 3 10.165 -5.143 5.341 17 2HG2 VAL 3 2HG VAL 3 9.043 -4.195 4.334 18 3HG2 VAL 3 3HG VAL 3 8.636 -4.548 6.031 19 H VAL 4 HN VAL 4 4.737 -6.251 4.186 20 HA VAL 4 HA VAL 4 4.365 -9.129 4.242 21 HB VAL 4 HB VAL 4 2.658 -6.716 3.775 22 1HG1 VAL 4 1HG VAL 4 1.975 -9.538 2.890 23 2HG1 VAL 4 2HG VAL 4 0.780 -8.237 3.105 24 3HG1 VAL 4 3HG VAL 4 2.061 -8.075 1.880 25 1HG2 VAL 4 1HG VAL 4 2.077 -9.195 5.411 26 2HG2 VAL 4 2HG VAL 4 3.048 -7.842 6.039 27 3HG2 VAL 4 3HG VAL 4 1.356 -7.574 5.553 28 H THR 5 HN THR 5 3.664 -10.281 2.243 29 HA THR 5 HA THR 5 4.722 -9.018 -0.191 30 HB THR 5 HB THR 5 5.324 -11.816 0.906 31 HG1 THR 5 HG1 THR 5 6.819 -9.374 0.251 32 1HG2 THR 5 1HG THR 5 5.633 -12.347 -1.316 33 2HG2 THR 5 2HG THR 5 5.511 -10.645 -1.823 34 3HG2 THR 5 3HG THR 5 7.056 -11.281 -1.208 35 H TYR 6 HN TYR 6 3.298 -8.995 -1.808 36 HA TYR 6 HA TYR 6 1.153 -11.008 -1.690 37 1HB TYR 6 2HB TYR 6 1.303 -8.036 -1.922 38 2HB TYR 6 3HB TYR 6 0.348 -8.741 -3.212 39 HD1 TYR 6 HD1 TYR 6 -1.126 -10.904 -2.013 40 HD2 TYR 6 HD2 TYR 6 -0.096 -7.112 -0.322 41 HE1 TYR 6 HE1 TYR 6 -3.124 -11.051 -0.447 42 HE2 TYR 6 HE2 TYR 6 -2.098 -7.271 1.237 43 HH TYR 6 HH TYR 6 -4.025 -10.204 1.402 44 H GLU 7 HN GLU 7 2.089 -12.513 -3.119 45 HA GLU 7 HA GLU 7 3.161 -11.563 -5.585 46 1HB GLU 7 2HB GLU 7 2.772 -14.284 -4.315 47 2HB GLU 7 3HB GLU 7 3.195 -14.167 -6.012 48 1HG GLU 7 2HG GLU 7 4.999 -12.392 -4.895 49 2HG GLU 7 3HG GLU 7 4.842 -13.566 -3.603 50 H ASN 8 HN ASN 8 2.175 -11.555 -7.608 51 HA ASN 8 HA ASN 8 -0.484 -12.730 -7.708 52 1HB ASN 8 2HB ASN 8 0.323 -9.999 -8.842 53 2HB ASN 8 3HB ASN 8 -1.248 -10.745 -9.052 54 1HD2 ASN 8 1HD ASN 8 1.082 -9.780 -6.552 55 2HD2 ASN 8 2HD ASN 8 -0.067 -9.271 -5.358 56 H LYS 9 HN LYS 9 -1.204 -12.749 -10.209 57 HA LYS 9 HA LYS 9 0.573 -14.298 -11.614 58 1HB LYS 9 2HB LYS 9 -1.969 -13.906 -11.908 59 2HB LYS 9 3HB LYS 9 -1.512 -12.574 -12.951 60 1HG LYS 9 2HG LYS 9 -1.528 -14.222 -14.563 61 2HG LYS 9 3HG LYS 9 0.114 -14.469 -14.005 62 1HD LYS 9 2HD LYS 9 -0.850 -16.160 -12.307 63 2HD LYS 9 3HD LYS 9 -2.368 -16.033 -13.173 64 1HE LYS 9 2HE LYS 9 -1.562 -17.148 -15.050 65 2HE LYS 9 3HE LYS 9 0.070 -16.543 -14.849 66 1HZ LYS 9 1HZ LYS 9 -0.121 -18.030 -12.705 67 2HZ LYS 9 2HZ LYS 9 -1.174 -18.848 -13.648 68 3HZ LYS 9 3HZ LYS 9 0.368 -18.633 -14.142 69 H LYS 10 HN LYS 10 -0.284 -10.852 -12.412 70 HA LYS 10 HA LYS 10 1.648 -10.440 -14.280 71 1HB LYS 10 2HB LYS 10 0.099 -8.719 -12.415 72 2HB LYS 10 3HB LYS 10 1.510 -7.989 -13.151 73 1HG LYS 10 2HG LYS 10 0.692 -8.371 -15.378 74 2HG LYS 10 3HG LYS 10 -0.508 -9.525 -14.830 75 1HD LYS 10 2HD LYS 10 -1.846 -7.794 -13.793 76 2HD LYS 10 3HD LYS 10 -0.563 -6.610 -13.944 77 1HE LYS 10 2HE LYS 10 -1.158 -6.086 -16.082 78 2HE LYS 10 3HE LYS 10 -1.244 -7.769 -16.557 79 1HZ LYS 10 1HZ LYS 10 -3.362 -6.995 -14.825 80 2HZ LYS 10 2HZ LYS 10 -3.348 -6.145 -16.219 81 3HZ LYS 10 3HZ LYS 10 -3.425 -7.776 -16.258 82 H GLY 11 HN GLY 11 1.988 -9.357 -10.825 83 1HA GLY 11 1HA GLY 11 4.727 -10.362 -10.807 84 2HA GLY 11 2HA GLY 11 4.524 -8.627 -10.676 85 H ASN 12 HN ASN 12 5.161 -8.340 -8.522 86 HA ASN 12 HA ASN 12 3.232 -9.309 -6.615 87 1HB ASN 12 2HB ASN 12 4.992 -10.103 -5.050 88 2HB ASN 12 3HB ASN 12 5.074 -11.000 -6.554 89 1HD2 ASN 12 1HD ASN 12 6.832 -9.438 -4.275 90 2HD2 ASN 12 2HD ASN 12 8.271 -9.049 -5.157 91 H VAL 13 HN VAL 13 3.414 -8.028 -4.522 92 HA VAL 13 HA VAL 13 5.006 -5.585 -4.847 93 HB VAL 13 HB VAL 13 3.186 -4.235 -4.151 94 1HG1 VAL 13 1HG VAL 13 3.289 -5.124 -6.573 95 2HG1 VAL 13 2HG VAL 13 1.878 -6.112 -6.122 96 3HG1 VAL 13 3HG VAL 13 1.788 -4.337 -6.030 97 1HG2 VAL 13 1HG VAL 13 2.001 -5.357 -2.514 98 2HG2 VAL 13 2HG VAL 13 0.864 -5.437 -3.881 99 3HG2 VAL 13 3HG VAL 13 1.868 -6.849 -3.475 100 H THR 14 HN THR 14 6.568 -5.875 -3.315 101 HA THR 14 HA THR 14 6.079 -7.328 -0.924 102 HB THR 14 HB THR 14 8.284 -7.037 -2.226 103 HG1 THR 14 HG1 THR 14 8.137 -7.813 0.006 104 1HG2 THR 14 1HG THR 14 7.892 -4.359 -2.084 105 2HG2 THR 14 2HG THR 14 8.726 -4.585 -0.527 106 3HG2 THR 14 3HG THR 14 9.526 -5.064 -2.043 107 H PHE 15 HN PHE 15 4.180 -6.353 -0.024 108 HA PHE 15 HA PHE 15 3.801 -3.728 0.523 109 1HB PHE 15 2HB PHE 15 3.139 -6.396 1.779 110 2HB PHE 15 3HB PHE 15 2.825 -4.994 2.782 111 HD1 PHE 15 HD1 PHE 15 2.508 -4.505 -0.785 112 HD2 PHE 15 HD2 PHE 15 0.432 -5.685 2.723 113 HE1 PHE 15 HE1 PHE 15 0.318 -4.152 -1.961 114 HE2 PHE 15 HE2 PHE 15 -1.757 -5.333 1.546 115 HZ PHE 15 HZ PHE 15 -1.788 -4.570 -0.782 116 H ASP 16 HN ASP 16 3.840 -2.644 2.778 117 HA ASP 16 HA ASP 16 6.259 -3.409 4.192 118 1HB ASP 16 2HB ASP 16 5.499 -0.615 3.224 119 2HB ASP 16 3HB ASP 16 6.736 -0.898 4.434 120 H HIS 17 HN HIS 17 5.757 -3.572 6.386 121 HA HIS 17 HA HIS 17 3.334 -2.200 7.271 122 1HB HIS 17 2HB HIS 17 4.093 -4.858 7.479 123 2HB HIS 17 3HB HIS 17 4.475 -4.218 9.065 124 HD1 HIS 17 HD1 HIS 17 1.846 -5.927 7.538 125 HD2 HIS 17 HD2 HIS 17 1.978 -2.435 9.859 126 HE1 HIS 17 HE1 HIS 17 -0.503 -5.608 8.482 127 H LYS 18 HN LYS 18 6.590 -3.208 8.550 128 HA LYS 18 HA LYS 18 6.481 -1.016 10.429 129 1HB LYS 18 2HB LYS 18 7.276 -3.213 11.157 130 2HB LYS 18 3HB LYS 18 8.552 -3.180 9.957 131 1HG LYS 18 2HG LYS 18 9.874 -2.097 11.442 132 2HG LYS 18 3HG LYS 18 8.793 -0.720 11.359 133 1HD LYS 18 2HD LYS 18 8.633 -1.156 13.631 134 2HD LYS 18 3HD LYS 18 7.332 -2.189 13.069 135 1HE LYS 18 2HE LYS 18 9.377 -3.953 12.808 136 2HE LYS 18 3HE LYS 18 10.068 -2.947 14.066 137 1HZ LYS 18 1HZ LYS 18 8.661 -3.787 15.525 138 2HZ LYS 18 2HZ LYS 18 7.353 -3.544 14.577 139 3HZ LYS 18 3HZ LYS 18 8.237 -4.908 14.415 140 H ALA 19 HN ALA 19 7.948 -1.874 7.313 141 HA ALA 19 HA ALA 19 9.934 0.140 7.364 142 1HB ALA 19 1HB ALA 19 10.540 -0.834 5.414 143 2HB ALA 19 2HB ALA 19 9.299 -2.052 5.794 144 3HB ALA 19 3HB ALA 19 8.904 -0.683 4.728 145 H HIS 20 HN HIS 20 6.468 0.036 6.629 146 HA HIS 20 HA HIS 20 6.604 2.665 5.417 147 1HB HIS 20 2HB HIS 20 4.691 0.422 5.462 148 2HB HIS 20 3HB HIS 20 3.943 2.004 5.561 149 HD1 HIS 20 HD1 HIS 20 7.121 1.535 3.571 150 HD2 HIS 20 HD2 HIS 20 2.991 1.869 2.914 151 HE1 HIS 20 HE1 HIS 20 6.819 1.854 1.057 152 H ALA 21 HN ALA 21 5.076 0.973 8.236 153 HA ALA 21 HA ALA 21 3.707 2.940 9.408 154 1HB ALA 21 1HB ALA 21 5.482 0.755 10.477 155 2HB ALA 21 2HB ALA 21 4.730 1.901 11.613 156 3HB ALA 21 3HB ALA 21 3.710 0.909 10.542 157 H GLU 22 HN GLU 22 7.235 2.763 9.013 158 HA GLU 22 HA GLU 22 7.993 4.566 10.919 159 1HB GLU 22 2HB GLU 22 9.191 4.252 8.132 160 2HB GLU 22 3HB GLU 22 10.009 4.908 9.536 161 1HG GLU 22 2HG GLU 22 8.971 2.383 10.361 162 2HG GLU 22 3HG GLU 22 9.646 2.118 8.766 163 H LYS 23 HN LYS 23 6.988 5.164 7.485 164 HA LYS 23 HA LYS 23 7.004 8.022 8.025 165 1HB LYS 23 2HB LYS 23 6.605 6.435 5.473 166 2HB LYS 23 3HB LYS 23 6.554 8.183 5.571 167 1HG LYS 23 2HG LYS 23 8.923 7.777 6.836 168 2HG LYS 23 3HG LYS 23 8.905 6.329 5.849 169 1HD LYS 23 2HD LYS 23 8.124 8.246 4.006 170 2HD LYS 23 3HD LYS 23 9.203 9.175 5.028 171 1HE LYS 23 2HE LYS 23 10.757 6.982 4.759 172 2HE LYS 23 3HE LYS 23 9.817 6.788 3.293 173 1HZ LYS 23 1HZ LYS 23 11.816 8.705 3.892 174 2HZ LYS 23 2HZ LYS 23 11.226 8.241 2.441 175 3HZ LYS 23 3HZ LYS 23 10.464 9.404 3.297 176 H LEU 24 HN LEU 24 4.736 5.490 6.736 177 HA LEU 24 HA LEU 24 2.480 7.003 6.626 178 1HB LEU 24 2HB LEU 24 2.890 4.101 7.331 179 2HB LEU 24 3HB LEU 24 1.298 4.807 7.130 180 HG LEU 24 HG LEU 24 2.010 5.506 4.797 181 1HD1 LEU 24 1HD LEU 24 4.315 5.460 4.720 182 2HD1 LEU 24 2HD LEU 24 4.428 3.924 5.612 183 3HD1 LEU 24 3HD LEU 24 3.894 3.931 3.914 184 1HD2 LEU 24 1HD LEU 24 1.425 3.420 3.835 185 2HD2 LEU 24 2HD LEU 24 2.048 2.514 5.235 186 3HD2 LEU 24 3HD LEU 24 0.581 3.509 5.400 187 H GLY 25 HN GLY 25 2.713 4.643 9.331 188 1HA GLY 25 1HA GLY 25 2.927 5.479 11.614 189 2HA GLY 25 2HA GLY 25 1.901 6.825 11.158 190 H CYS 26 HN CYS 26 1.245 3.620 9.799 191 HA CYS 26 HA CYS 26 -0.361 2.156 10.116 192 1HB CYS 26 2HB CYS 26 -1.199 3.083 12.802 193 2HB CYS 26 3HB CYS 26 -0.926 1.461 12.199 194 H ASP 27 HN ASP 27 -1.526 4.995 12.083 195 HA ASP 27 HA ASP 27 -4.079 4.989 11.469 196 1HB ASP 27 2HB ASP 27 -2.282 7.459 11.412 197 2HB ASP 27 3HB ASP 27 -4.023 7.506 11.604 198 H ALA 28 HN ALA 28 -1.368 5.821 9.310 199 HA ALA 28 HA ALA 28 -2.626 7.250 7.337 200 1HB ALA 28 1HB ALA 28 -0.598 7.032 6.378 201 2HB ALA 28 2HB ALA 28 -0.146 6.024 7.773 202 3HB ALA 28 3HB ALA 28 -0.757 5.262 6.286 203 H CYS 29 HN CYS 29 -2.519 3.682 7.880 204 HA CYS 29 HA CYS 29 -4.424 3.406 5.681 205 1HB CYS 29 2HB CYS 29 -2.997 1.142 7.062 206 2HB CYS 29 3HB CYS 29 -3.798 1.141 5.503 207 H HIS 30 HN HIS 30 -3.700 2.342 9.083 208 HA HIS 30 HA HIS 30 -6.516 1.678 9.388 209 1HB HIS 30 2HB HIS 30 -4.351 1.186 11.426 210 2HB HIS 30 3HB HIS 30 -5.897 0.378 11.253 211 HD1 HIS 30 HD1 HIS 30 -5.877 -1.801 10.005 212 HD2 HIS 30 HD2 HIS 30 -2.502 0.545 9.168 213 HE1 HIS 30 HE1 HIS 30 -4.353 -3.237 8.548 214 H GLU 31 HN GLU 31 -6.310 2.054 12.364 215 HA GLU 31 HA GLU 31 -6.055 4.937 12.493 216 1HB GLU 31 2HB GLU 31 -8.512 3.500 13.573 217 2HB GLU 31 3HB GLU 31 -8.237 5.230 13.520 218 1HG GLU 31 2HG GLU 31 -9.351 5.199 11.534 219 2HG GLU 31 3HG GLU 31 -7.891 4.511 10.852 220 H GLY 32 HN GLY 32 -7.329 4.977 15.196 221 1HA GLY 32 1HA GLY 32 -5.124 4.617 16.803 222 2HA GLY 32 2HA GLY 32 -6.788 4.656 17.355 223 H THR 33 HN THR 33 -7.311 2.203 15.468 224 HA THR 33 HA THR 33 -5.782 0.126 16.774 225 HB THR 33 HB THR 33 -8.774 0.559 17.267 226 HG1 THR 33 HG1 THR 33 -6.361 0.214 18.908 227 1HG2 THR 33 1HG THR 33 -6.934 -1.822 17.775 228 2HG2 THR 33 2HG THR 33 -8.354 -1.510 18.802 229 3HG2 THR 33 3HG THR 33 -8.566 -1.829 17.064 230 HA PRO 34 HA PRO 34 -6.627 -1.147 12.676 231 1HB PRO 34 2HB PRO 34 -4.513 -2.865 12.452 232 2HB PRO 34 3HB PRO 34 -4.405 -1.156 12.074 233 1HG PRO 34 2HG PRO 34 -3.378 -2.598 14.441 234 2HG PRO 34 3HG PRO 34 -2.928 -1.016 13.840 235 1HD PRO 34 2HD PRO 34 -4.623 -1.578 16.083 236 2HD PRO 34 3HD PRO 34 -4.265 -0.001 15.410 237 H ALA 35 HN ALA 35 -6.187 -3.688 11.714 238 HA ALA 35 HA ALA 35 -6.927 -5.717 13.418 239 1HB ALA 35 1HB ALA 35 -9.397 -5.888 12.708 240 2HB ALA 35 2HB ALA 35 -8.993 -4.667 13.938 241 3HB ALA 35 3HB ALA 35 -9.262 -4.174 12.250 242 H LYS 36 HN LYS 36 -7.720 -4.256 10.194 243 HA LYS 36 HA LYS 36 -6.157 -6.054 8.778 244 1HB LYS 36 2HB LYS 36 -7.523 -7.750 8.046 245 2HB LYS 36 3HB LYS 36 -8.070 -7.577 9.701 246 1HG LYS 36 2HG LYS 36 -10.163 -7.294 8.866 247 2HG LYS 36 3HG LYS 36 -9.643 -5.709 8.327 248 1HD LYS 36 2HD LYS 36 -10.114 -6.431 6.220 249 2HD LYS 36 3HD LYS 36 -8.630 -7.358 6.325 250 1HE LYS 36 2HE LYS 36 -10.283 -8.963 5.709 251 2HE LYS 36 3HE LYS 36 -10.039 -9.232 7.424 252 1HZ LYS 36 1HZ LYS 36 -12.401 -8.836 6.343 253 2HZ LYS 36 2HZ LYS 36 -12.066 -8.452 7.895 254 3HZ LYS 36 3HZ LYS 36 -12.051 -7.292 6.746 255 H ILE 37 HN ILE 37 -7.163 -6.086 6.299 256 HA ILE 37 HA ILE 37 -8.500 -3.586 5.757 257 HB ILE 37 HB ILE 37 -5.645 -4.094 4.922 258 1HG1 ILE 37 2HG ILE 37 -6.976 -2.006 6.658 259 2HG1 ILE 37 3HG ILE 37 -5.727 -3.149 7.109 260 1HG2 ILE 37 1HG ILE 37 -7.191 -3.239 3.081 261 2HG2 ILE 37 2HG ILE 37 -7.338 -1.752 4.048 262 3HG2 ILE 37 3HG ILE 37 -5.745 -2.267 3.445 263 1HD1 ILE 37 1HD ILE 37 -5.500 -0.604 5.533 264 2HD1 ILE 37 2HD ILE 37 -4.392 -1.293 6.745 265 3HD1 ILE 37 3HD ILE 37 -4.409 -1.939 5.086 266 H ALA 38 HN ALA 38 -9.404 -3.523 3.623 267 HA ALA 38 HA ALA 38 -9.636 -6.197 2.491 268 1HB ALA 38 1HB ALA 38 -11.175 -3.718 1.677 269 2HB ALA 38 2HB ALA 38 -11.659 -5.426 1.542 270 3HB ALA 38 3HB ALA 38 -11.602 -4.639 3.139 271 H ILE 39 HN ILE 39 -7.842 -6.593 1.216 272 HA ILE 39 HA ILE 39 -7.406 -4.635 -0.929 273 HB ILE 39 HB ILE 39 -5.381 -6.168 0.694 274 1HG1 ILE 39 2HG ILE 39 -6.389 -3.841 1.361 275 2HG1 ILE 39 3HG ILE 39 -4.671 -4.151 1.517 276 1HG2 ILE 39 1HG ILE 39 -4.653 -6.461 -1.544 277 2HG2 ILE 39 2HG ILE 39 -5.048 -4.779 -1.971 278 3HG2 ILE 39 3HG ILE 39 -3.694 -5.123 -0.867 279 1HD1 ILE 39 1HD ILE 39 -5.135 -1.954 0.423 280 2HD1 ILE 39 2HD ILE 39 -4.230 -3.051 -0.648 281 3HD1 ILE 39 3HD ILE 39 -5.977 -2.807 -0.895 282 H ASP 40 HN ASP 40 -7.046 -5.486 -3.016 283 HA ASP 40 HA ASP 40 -6.630 -8.181 -3.483 284 1HB ASP 40 2HB ASP 40 -9.176 -7.933 -2.643 285 2HB ASP 40 3HB ASP 40 -9.441 -7.442 -4.305 286 H LYS 41 HN LYS 41 -8.910 -5.680 -4.860 287 HA LYS 41 HA LYS 41 -7.145 -4.653 -6.732 288 1HB LYS 41 2HB LYS 41 -7.512 -7.161 -7.507 289 2HB LYS 41 3HB LYS 41 -8.994 -6.514 -8.180 290 1HG LYS 41 2HG LYS 41 -6.715 -4.747 -8.743 291 2HG LYS 41 3HG LYS 41 -6.413 -6.372 -9.325 292 1HD LYS 41 2HD LYS 41 -8.605 -6.348 -10.533 293 2HD LYS 41 3HD LYS 41 -8.911 -4.724 -9.949 294 1HE LYS 41 2HE LYS 41 -7.619 -3.807 -11.581 295 2HE LYS 41 3HE LYS 41 -6.269 -4.853 -11.190 296 1HZ LYS 41 1HZ LYS 41 -7.764 -6.590 -12.394 297 2HZ LYS 41 2HZ LYS 41 -8.391 -5.267 -13.116 298 3HZ LYS 41 3HZ LYS 41 -6.795 -5.588 -13.244 299 H LYS 42 HN LYS 42 -8.476 -3.076 -5.337 300 HA LYS 42 HA LYS 42 -10.401 -1.900 -7.019 301 1HB LYS 42 2HB LYS 42 -11.565 -3.943 -5.715 302 2HB LYS 42 3HB LYS 42 -11.732 -2.713 -4.479 303 1HG LYS 42 2HG LYS 42 -13.426 -1.732 -5.620 304 2HG LYS 42 3HG LYS 42 -12.403 -1.520 -7.028 305 1HD LYS 42 2HD LYS 42 -13.103 -3.533 -8.022 306 2HD LYS 42 3HD LYS 42 -13.524 -4.271 -6.488 307 1HE LYS 42 2HE LYS 42 -15.555 -2.984 -6.300 308 2HE LYS 42 3HE LYS 42 -15.061 -1.871 -7.560 309 1HZ LYS 42 1HZ LYS 42 -15.124 -4.587 -8.415 310 2HZ LYS 42 2HZ LYS 42 -16.583 -4.036 -7.933 311 3HZ LYS 42 3HZ LYS 42 -15.768 -3.261 -9.116 312 H SER 43 HN SER 43 -9.822 -2.211 -3.439 313 HA SER 43 HA SER 43 -9.849 0.608 -3.196 314 1HB SER 43 2HB SER 43 -10.170 -1.591 -1.474 315 2HB SER 43 3HB SER 43 -8.671 -0.861 -0.935 316 HG SER 43 HG SER 43 -9.828 0.665 0.002 317 H ALA 44 HN ALA 44 -7.350 -2.012 -3.018 318 HA ALA 44 HA ALA 44 -5.184 -0.435 -2.350 319 1HB ALA 44 1HB ALA 44 -4.024 -2.370 -2.668 320 2HB ALA 44 2HB ALA 44 -5.647 -3.083 -2.838 321 3HB ALA 44 3HB ALA 44 -4.715 -2.638 -4.288 322 H HIS 45 HN HIS 45 -7.116 -0.480 -5.240 323 HA HIS 45 HA HIS 45 -4.972 0.816 -6.736 324 1HB HIS 45 2HB HIS 45 -7.488 -0.632 -7.495 325 2HB HIS 45 3HB HIS 45 -6.831 0.565 -8.593 326 HD1 HIS 45 HD1 HIS 45 -6.920 -2.440 -9.368 327 HD2 HIS 45 HD2 HIS 45 -3.604 -0.543 -7.635 328 HE1 HIS 45 HE1 HIS 45 -4.884 -3.844 -9.996 329 H LYS 46 HN LYS 46 -7.088 1.733 -4.474 330 HA LYS 46 HA LYS 46 -7.817 4.184 -5.923 331 1HB LYS 46 2HB LYS 46 -9.457 2.329 -4.441 332 2HB LYS 46 3HB LYS 46 -9.476 3.891 -3.645 333 1HG LYS 46 2HG LYS 46 -10.422 4.985 -5.490 334 2HG LYS 46 3HG LYS 46 -9.751 3.854 -6.647 335 1HD LYS 46 2HD LYS 46 -11.430 2.236 -5.089 336 2HD LYS 46 3HD LYS 46 -12.319 3.742 -5.189 337 1HE LYS 46 2HE LYS 46 -11.125 2.928 -7.778 338 2HE LYS 46 3HE LYS 46 -12.267 1.756 -7.151 339 1HZ LYS 46 1HZ LYS 46 -13.682 3.859 -6.746 340 2HZ LYS 46 2HZ LYS 46 -12.731 4.525 -7.894 341 3HZ LYS 46 3HZ LYS 46 -13.619 3.198 -8.238 342 H ASP 47 HN ASP 47 -8.603 5.628 -3.564 343 HA ASP 47 HA ASP 47 -6.366 6.890 -2.910 344 1HB ASP 47 2HB ASP 47 -8.541 6.284 -0.858 345 2HB ASP 47 3HB ASP 47 -7.516 7.704 -0.907 346 H ALA 48 HN ALA 48 -7.485 3.727 -1.766 347 HA ALA 48 HA ALA 48 -6.331 3.335 0.616 348 1HB ALA 48 1HB ALA 48 -7.544 1.735 -1.088 349 2HB ALA 48 2HB ALA 48 -5.885 1.299 -1.564 350 3HB ALA 48 3HB ALA 48 -6.420 1.056 0.115 351 H CYS 49 HN CYS 49 -4.607 3.034 -2.571 352 HA CYS 49 HA CYS 49 -2.135 3.496 -1.065 353 1HB CYS 49 2HB CYS 49 -2.443 1.848 -3.582 354 2HB CYS 49 3HB CYS 49 -0.951 2.148 -2.712 355 H LYS 50 HN LYS 50 -3.686 3.667 -4.358 356 HA LYS 50 HA LYS 50 -2.108 5.259 -5.727 357 1HB LYS 50 2HB LYS 50 -5.064 5.078 -5.486 358 2HB LYS 50 3HB LYS 50 -4.445 6.485 -6.327 359 1HG LYS 50 2HG LYS 50 -3.017 4.051 -7.146 360 2HG LYS 50 3HG LYS 50 -4.746 3.880 -7.384 361 1HD LYS 50 2HD LYS 50 -3.909 6.534 -8.247 362 2HD LYS 50 3HD LYS 50 -2.894 5.326 -9.012 363 1HE LYS 50 2HE LYS 50 -5.738 4.536 -9.004 364 2HE LYS 50 3HE LYS 50 -5.483 6.067 -9.818 365 1HZ LYS 50 1HZ LYS 50 -3.458 4.478 -10.682 366 2HZ LYS 50 2HZ LYS 50 -4.747 3.475 -10.650 367 3HZ LYS 50 3HZ LYS 50 -4.809 4.858 -11.518 368 H THR 51 HN THR 51 -4.738 6.935 -3.885 369 HA THR 51 HA THR 51 -3.829 9.425 -3.891 370 HB THR 51 HB THR 51 -5.090 7.763 -1.668 371 HG1 THR 51 HG1 THR 51 -6.901 9.050 -2.519 372 1HG2 THR 51 1HG THR 51 -5.833 10.320 -1.082 373 2HG2 THR 51 2HG THR 51 -4.468 9.518 -0.269 374 3HG2 THR 51 3HG THR 51 -4.167 10.625 -1.630 375 H CYS 52 HN CYS 52 -3.056 7.622 -0.872 376 HA CYS 52 HA CYS 52 -0.876 9.264 -0.336 377 1HB CYS 52 2HB CYS 52 -2.254 7.800 1.250 378 2HB CYS 52 3HB CYS 52 -1.231 6.471 0.742 379 H HIS 53 HN HIS 53 0.492 9.343 -2.214 380 HA HIS 53 HA HIS 53 2.638 7.759 -2.302 381 1HB HIS 53 2HB HIS 53 0.375 6.308 -3.390 382 2HB HIS 53 3HB HIS 53 1.612 6.521 -4.612 383 HD1 HIS 53 HD1 HIS 53 4.214 6.048 -3.299 384 HD2 HIS 53 HD2 HIS 53 0.784 3.924 -2.152 385 HE1 HIS 53 HE1 HIS 53 5.040 3.919 -2.160 386 H LYS 54 HN LYS 54 0.195 8.783 -4.800 387 HA LYS 54 HA LYS 54 2.232 9.965 -6.401 388 1HB LYS 54 2HB LYS 54 0.280 10.750 -7.754 389 2HB LYS 54 3HB LYS 54 0.348 9.017 -7.507 390 1HG LYS 54 2HG LYS 54 -1.411 9.051 -5.888 391 2HG LYS 54 3HG LYS 54 -1.250 10.775 -5.614 392 1HD LYS 54 2HD LYS 54 -2.593 11.308 -7.389 393 2HD LYS 54 3HD LYS 54 -1.842 10.123 -8.438 394 1HE LYS 54 2HE LYS 54 -3.240 8.352 -7.646 395 2HE LYS 54 3HE LYS 54 -3.696 9.231 -6.202 396 1HZ LYS 54 1HZ LYS 54 -5.446 9.297 -7.799 397 2HZ LYS 54 2HZ LYS 54 -4.852 10.809 -7.633 398 3HZ LYS 54 3HZ LYS 54 -4.472 9.923 -8.951 399 H SER 55 HN SER 55 3.094 11.191 -4.401 400 HA SER 55 HA SER 55 2.019 13.848 -4.624 401 1HB SER 55 2HB SER 55 1.914 12.191 -2.126 402 2HB SER 55 3HB SER 55 2.404 13.863 -1.933 403 HG SER 55 HG SER 55 -0.076 12.825 -2.964 404 H ASN 56 HN ASN 56 4.428 11.604 -3.120 405 HA ASN 56 HA ASN 56 6.365 13.766 -3.285 406 1HB ASN 56 2HB ASN 56 5.834 12.135 -1.162 407 2HB ASN 56 3HB ASN 56 7.030 11.136 -1.965 408 1HD2 ASN 56 1HD ASN 56 6.390 14.412 -0.783 409 2HD2 ASN 56 2HD ASN 56 8.019 14.829 -0.370 410 H ASN 57 HN ASN 57 6.360 10.117 -3.485 411 HA ASN 57 HA ASN 57 7.159 10.070 -6.148 412 1HB ASN 57 2HB ASN 57 9.368 10.739 -5.620 413 2HB ASN 57 3HB ASN 57 9.331 9.978 -4.041 414 1HD2 ASN 57 1HD ASN 57 9.558 7.728 -3.849 415 2HD2 ASN 57 2HD ASN 57 10.315 6.768 -5.075 416 H GLY 58 HN GLY 58 7.608 7.728 -6.817 417 1HA GLY 58 1HA GLY 58 7.875 5.460 -5.681 418 2HA GLY 58 2HA GLY 58 6.369 5.873 -4.887 419 HA PRO 59 HA PRO 59 5.083 3.841 -8.676 420 1HB PRO 59 2HB PRO 59 3.079 2.344 -7.575 421 2HB PRO 59 3HB PRO 59 4.722 1.761 -7.759 422 1HG PRO 59 2HG PRO 59 3.338 2.665 -5.308 423 2HG PRO 59 3HG PRO 59 4.793 1.699 -5.454 424 1HD PRO 59 2HD PRO 59 4.642 4.482 -4.777 425 2HD PRO 59 3HD PRO 59 6.099 3.544 -5.037 426 H THR 60 HN THR 60 3.708 4.587 -10.197 427 HA THR 60 HA THR 60 1.140 5.507 -9.469 428 HB THR 60 HB THR 60 3.425 7.497 -9.637 429 HG1 THR 60 HG1 THR 60 0.923 7.038 -8.175 430 1HG2 THR 60 1HG THR 60 0.504 8.292 -9.957 431 2HG2 THR 60 2HG THR 60 1.956 9.290 -10.208 432 3HG2 THR 60 3HG THR 60 1.530 8.027 -11.388 433 H LYS 61 HN LYS 61 3.901 5.587 -11.758 434 HA LYS 61 HA LYS 61 2.070 5.899 -13.973 435 1HB LYS 61 2HB LYS 61 4.019 6.120 -15.325 436 2HB LYS 61 3HB LYS 61 4.287 7.053 -13.866 437 1HG LYS 61 2HG LYS 61 5.440 4.891 -12.934 438 2HG LYS 61 3HG LYS 61 5.464 4.348 -14.600 439 1HD LYS 61 2HD LYS 61 6.414 7.128 -14.330 440 2HD LYS 61 3HD LYS 61 7.366 6.013 -13.370 441 1HE LYS 61 2HE LYS 61 7.903 4.653 -15.304 442 2HE LYS 61 3HE LYS 61 6.701 5.458 -16.293 443 1HZ LYS 61 1HZ LYS 61 8.302 7.454 -15.382 444 2HZ LYS 61 2HZ LYS 61 9.347 6.249 -15.731 445 3HZ LYS 61 3HZ LYS 61 8.328 6.803 -16.880 446 H CYS 62 HN CYS 62 1.351 3.668 -12.497 447 HA CYS 62 HA CYS 62 0.837 1.552 -12.763 448 1HB CYS 62 2HB CYS 62 0.541 2.279 -15.173 449 2HB CYS 62 3HB CYS 62 2.128 1.607 -15.492 450 H GLY 63 HN GLY 63 3.891 1.650 -14.736 451 1HA GLY 63 1HA GLY 63 5.028 -0.609 -13.531 452 2HA GLY 63 2HA GLY 63 5.863 0.605 -14.480 453 H GLY 64 HN GLY 64 4.615 -0.129 -11.174 454 1HA GLY 64 1HA GLY 64 6.965 1.173 -10.044 455 2HA GLY 64 2HA GLY 64 5.412 1.866 -9.622 456 H CYS 65 HN CYS 65 3.666 0.121 -8.931 457 HA CYS 65 HA CYS 65 4.781 -1.214 -6.703 458 1HB CYS 65 2HB CYS 65 2.000 -1.183 -7.883 459 2HB CYS 65 3HB CYS 65 2.418 -2.072 -6.431 460 H HIS 66 HN HIS 66 3.069 -2.304 -9.730 461 HA HIS 66 HA HIS 66 3.729 -5.023 -9.236 462 1HB HIS 66 2HB HIS 66 2.411 -3.494 -11.462 463 2HB HIS 66 3HB HIS 66 2.909 -5.153 -11.728 464 HD1 HIS 66 HD1 HIS 66 1.185 -6.865 -11.160 465 HD2 HIS 66 HD2 HIS 66 0.658 -3.319 -8.982 466 HE1 HIS 66 HE1 HIS 66 -0.945 -7.178 -9.789 467 H ILE 67 HN ILE 67 5.998 -5.181 -9.021 468 HA ILE 67 HA ILE 67 7.909 -3.997 -10.519 469 HB ILE 67 HB ILE 67 8.071 -5.584 -8.525 470 1HG1 ILE 67 2HG ILE 67 10.137 -5.891 -10.721 471 2HG1 ILE 67 3HG ILE 67 9.967 -4.458 -9.727 472 1HG2 ILE 67 1HG ILE 67 8.378 -7.883 -8.862 473 2HG2 ILE 67 2HG ILE 67 6.943 -7.473 -9.832 474 3HG2 ILE 67 3HG ILE 67 8.518 -7.701 -10.627 475 1HD1 ILE 67 1HD ILE 67 11.326 -5.459 -8.214 476 2HD1 ILE 67 2HD ILE 67 9.993 -6.589 -7.872 477 3HD1 ILE 67 3HD ILE 67 11.233 -7.011 -9.078 478 H LYS 68 HN LYS 68 7.951 -3.708 -12.687 479 HA LYS 68 HA LYS 68 7.339 -6.071 -14.322 480 1HB LYS 68 2HB LYS 68 5.940 -3.733 -14.317 481 2HB LYS 68 3HB LYS 68 7.126 -3.389 -15.559 482 1HG LYS 68 2HG LYS 68 6.353 -6.013 -16.157 483 2HG LYS 68 3HG LYS 68 4.858 -5.288 -15.603 484 1HD LYS 68 2HD LYS 68 4.683 -3.936 -17.443 485 2HD LYS 68 3HD LYS 68 6.383 -3.515 -17.417 486 1HE LYS 68 2HE LYS 68 6.914 -5.104 -18.971 487 2HE LYS 68 3HE LYS 68 5.982 -6.339 -18.149 488 1HZ LYS 68 1HZ LYS 68 4.889 -4.267 -19.923 489 2HZ LYS 68 2HZ LYS 68 5.040 -5.855 -20.274 490 3HZ LYS 68 3HZ LYS 68 3.990 -5.370 -19.120 491 HHA HEC 98 HGM HEC 98 -4.069 -6.216 8.383 492 HHB HEC 98 HDM HEC 98 -1.813 -3.454 13.507 493 HHC HEC 98 HAM HEC 98 1.239 0.678 9.804 494 HHD HEC 98 HBM HEC 98 -1.472 -1.922 4.834 495 1HMA HEC 98 1HM HEC 98 -3.257 -5.208 14.161 496 2HMA HEC 98 2HM HEC 98 -3.734 -6.811 13.553 497 3HMA HEC 98 3HM HEC 98 -2.012 -6.424 13.789 498 1HAA HEC 98 1HA HEC 98 -4.321 -7.838 11.716 499 2HAA HEC 98 2HA HEC 98 -4.914 -7.267 10.139 500 1HBA HEC 98 3HB HEC 98 -3.700 -9.087 9.336 501 2HBA HEC 98 4HB HEC 98 -2.334 -7.954 9.457 502 1HMB HEC 98 1HM HEC 98 -0.981 -0.235 14.760 503 2HMB HEC 98 2HM HEC 98 -1.386 -1.967 14.745 504 3HMB HEC 98 3HM HEC 98 0.296 -1.450 15.006 505 HAB HEC 98 HT2 HEC 98 1.518 1.312 11.718 506 1HBB HEC 98 1HT HEC 98 3.366 1.154 13.082 507 2HBB HEC 98 2HT HEC 98 2.704 -0.256 13.943 508 3HBB HEC 98 3HT HEC 98 3.144 -0.389 12.225 509 1HMC HEC 98 1HM HEC 98 1.141 2.603 7.084 510 2HMC HEC 98 2HM HEC 98 1.929 1.843 8.487 511 3HMC HEC 98 3HM HEC 98 2.521 1.506 6.844 512 HAC HEC 98 HT4 HEC 98 -1.181 0.626 4.557 513 1HBC HEC 98 1HT HEC 98 0.230 -1.075 3.597 514 2HBC HEC 98 2HT HEC 98 0.661 0.467 2.821 515 3HBC HEC 98 3HT HEC 98 1.708 -0.214 4.088 516 1HMD HEC 98 1HM HEC 98 -2.313 -4.395 3.227 517 2HMD HEC 98 2HM HEC 98 -4.026 -3.954 3.430 518 3HMD HEC 98 3HM HEC 98 -2.772 -2.691 3.468 519 1HAD HEC 98 1HA HEC 98 -4.270 -6.896 6.234 520 2HAD HEC 98 2HA HEC 98 -4.854 -5.935 4.855 521 1HBD HEC 98 3HB HEC 98 -3.472 -7.990 4.326 522 2HBD HEC 98 4HB HEC 98 -2.970 -6.466 3.553 523 HHA HEC 128 HGM HEC 128 8.026 3.480 -1.381 524 HHB HEC 128 HDM HEC 128 4.004 -0.957 -3.142 525 HHC HEC 128 HAM HEC 128 -0.317 1.572 0.736 526 HHD HEC 128 HBM HEC 128 3.675 6.179 2.019 527 1HMA HEC 128 1HM HEC 128 6.450 -1.972 -3.065 528 2HMA HEC 128 2HM HEC 128 6.270 -1.026 -4.561 529 3HMA HEC 128 3HM HEC 128 7.861 -1.151 -3.774 530 1HAA HEC 128 1HA HEC 128 9.028 1.163 -3.608 531 2HAA HEC 128 2HA HEC 128 9.166 2.196 -2.165 532 1HBA HEC 128 3HB HEC 128 9.826 0.399 -0.774 533 2HBA HEC 128 4HB HEC 128 9.012 -0.818 -1.786 534 1HMB HEC 128 1HM HEC 128 2.079 -1.470 -4.009 535 2HMB HEC 128 2HM HEC 128 1.639 -2.682 -2.783 536 3HMB HEC 128 3HM HEC 128 0.376 -1.680 -3.536 537 HAB HEC 128 HT2 HEC 128 -1.351 0.188 -0.571 538 1HBB HEC 128 1HT HEC 128 -0.323 -2.488 0.219 539 2HBB HEC 128 2HT HEC 128 -0.515 -1.047 1.246 540 3HBB HEC 128 3HT HEC 128 -1.944 -1.815 0.515 541 1HMC HEC 128 1HM HEC 128 -1.165 3.858 3.307 542 2HMC HEC 128 2HM HEC 128 -1.768 4.090 1.648 543 3HMC HEC 128 3HM HEC 128 -1.303 2.466 2.205 544 HAC HEC 128 HT4 HEC 128 1.745 6.723 2.922 545 1HBC HEC 128 1HT HEC 128 0.134 6.978 4.545 546 2HBC HEC 128 2HT HEC 128 -1.138 6.212 3.563 547 3HBC HEC 128 3HT HEC 128 0.078 5.206 4.386 548 1HMD HEC 128 1HM HEC 128 6.259 7.135 2.825 549 2HMD HEC 128 2HM HEC 128 6.768 7.964 1.335 550 3HMD HEC 128 3HM HEC 128 5.039 7.843 1.740 551 1HAD HEC 128 1HA HEC 128 8.548 6.511 1.242 552 2HAD HEC 128 2HA HEC 128 9.058 4.908 0.661 553 1HBD HEC 128 3HB HEC 128 9.497 5.668 -1.390 554 2HBD HEC 128 4HB HEC 128 8.018 6.658 -1.446 555 HHA HEC 158 HGM HEC 158 -3.740 -7.389 -7.154 556 HHB HEC 158 HDM HEC 158 -2.982 -5.572 -13.078 557 HHC HEC 158 HAM HEC 158 -0.612 -0.087 -10.979 558 HHD HEC 158 HBM HEC 158 -1.017 -2.256 -5.152 559 1HMA HEC 158 1HM HEC 158 -5.066 -8.695 -12.017 560 2HMA HEC 158 2HM HEC 158 -5.346 -7.109 -12.774 561 3HMA HEC 158 3HM HEC 158 -3.786 -7.935 -12.993 562 1HAA HEC 158 1HA HEC 158 -5.181 -8.400 -8.090 563 2HAA HEC 158 2HA HEC 158 -6.016 -8.670 -9.637 564 1HBA HEC 158 3HB HEC 158 -3.416 -9.628 -10.144 565 2HBA HEC 158 4HB HEC 158 -3.713 -10.140 -8.466 566 1HMB HEC 158 1HM HEC 158 -1.527 -3.015 -15.426 567 2HMB HEC 158 2HM HEC 158 -0.992 -4.577 -14.764 568 3HMB HEC 158 3HM HEC 158 -2.729 -4.231 -14.933 569 HAB HEC 158 HT2 HEC 158 0.058 -0.430 -13.265 570 1HBB HEC 158 1HT HEC 158 -2.164 0.799 -14.460 571 2HBB HEC 158 2HT HEC 158 -2.554 0.313 -12.793 572 3HBB HEC 158 3HT HEC 158 -1.117 1.312 -13.115 573 1HMC HEC 158 1HM HEC 158 1.044 1.745 -8.326 574 2HMC HEC 158 2HM HEC 158 0.740 1.201 -9.994 575 3HMC HEC 158 3HM HEC 158 -0.530 2.061 -9.093 576 HAC HEC 158 HT4 HEC 158 0.710 -0.754 -5.279 577 1HBC HEC 158 1HT HEC 158 0.195 2.135 -5.336 578 2HBC HEC 158 2HT HEC 158 -1.289 1.178 -5.553 579 3HBC HEC 158 3HT HEC 158 -0.265 0.919 -4.120 580 1HMD HEC 158 1HM HEC 158 -2.591 -3.795 -2.890 581 2HMD HEC 158 2HM HEC 158 -1.238 -4.950 -2.931 582 3HMD HEC 158 3HM HEC 158 -0.982 -3.263 -3.435 583 1HAD HEC 158 1HA HEC 158 -4.066 -5.969 -3.572 584 2HAD HEC 158 2HA HEC 158 -4.208 -7.153 -4.893 585 1HBD HEC 158 3HB HEC 158 -1.798 -7.794 -4.340 586 2HBD HEC 158 4HB HEC 158 -2.035 -6.875 -2.834 Start of MODEL 5 1 H ALA 1 HN ALA 1 3.715 -9.291 10.533 2 HA ALA 1 HA ALA 1 6.364 -9.131 10.035 3 1HB ALA 1 1HB ALA 1 4.899 -10.446 8.657 4 2HB ALA 1 2HB ALA 1 3.989 -9.006 8.143 5 3HB ALA 1 3HB ALA 1 5.665 -9.242 7.594 6 H ASP 2 HN ASP 2 7.834 -7.655 9.163 7 HA ASP 2 HA ASP 2 7.094 -4.949 9.493 8 1HB ASP 2 2HB ASP 2 9.496 -4.650 8.456 9 2HB ASP 2 3HB ASP 2 9.334 -5.346 10.056 10 H VAL 3 HN VAL 3 8.121 -7.086 6.732 11 HA VAL 3 HA VAL 3 6.728 -5.248 4.926 12 HB VAL 3 HB VAL 3 9.484 -6.438 4.552 13 1HG1 VAL 3 1HG VAL 3 9.512 -5.704 2.340 14 2HG1 VAL 3 2HG VAL 3 7.867 -6.362 2.513 15 3HG1 VAL 3 3HG VAL 3 8.134 -4.603 2.579 16 1HG2 VAL 3 1HG VAL 3 9.131 -3.550 4.180 17 2HG2 VAL 3 2HG VAL 3 8.752 -4.096 5.832 18 3HG2 VAL 3 3HG VAL 3 10.347 -4.446 5.123 19 H VAL 4 HN VAL 4 5.258 -6.292 3.674 20 HA VAL 4 HA VAL 4 5.574 -9.207 3.463 21 HB VAL 4 HB VAL 4 3.129 -9.310 3.371 22 1HG1 VAL 4 1HG VAL 4 3.921 -9.756 5.514 23 2HG1 VAL 4 2HG VAL 4 4.485 -8.087 5.767 24 3HG1 VAL 4 3HG VAL 4 2.744 -8.453 5.803 25 1HG2 VAL 4 1HG VAL 4 3.333 -6.313 3.741 26 2HG2 VAL 4 2HG VAL 4 2.463 -7.222 2.482 27 3HG2 VAL 4 3HG VAL 4 1.866 -7.229 4.159 28 H THR 5 HN THR 5 5.068 -10.181 1.428 29 HA THR 5 HA THR 5 4.637 -8.297 -0.776 30 HB THR 5 HB THR 5 6.913 -10.301 -0.413 31 HG1 THR 5 HG1 THR 5 7.950 -8.343 -0.274 32 1HG2 THR 5 1HG THR 5 7.034 -8.820 -2.899 33 2HG2 THR 5 2HG THR 5 7.053 -10.585 -2.674 34 3HG2 THR 5 3HG THR 5 5.504 -9.729 -2.861 35 H TYR 6 HN TYR 6 2.563 -8.894 -1.231 36 HA TYR 6 HA TYR 6 1.721 -11.593 -1.143 37 1HB TYR 6 2HB TYR 6 0.721 -9.015 -2.504 38 2HB TYR 6 3HB TYR 6 -0.245 -10.474 -2.420 39 HD1 TYR 6 HD1 TYR 6 1.179 -7.688 -0.468 40 HD2 TYR 6 HD2 TYR 6 -1.326 -11.154 -0.354 41 HE1 TYR 6 HE1 TYR 6 0.268 -6.965 1.794 42 HE2 TYR 6 HE2 TYR 6 -2.228 -10.420 1.907 43 HH TYR 6 HH TYR 6 -1.925 -9.053 3.604 44 H GLU 7 HN GLU 7 2.947 -12.979 -2.444 45 HA GLU 7 HA GLU 7 3.671 -12.250 -5.057 46 1HB GLU 7 2HB GLU 7 3.606 -14.938 -3.623 47 2HB GLU 7 3HB GLU 7 4.260 -14.728 -5.235 48 1HG GLU 7 2HG GLU 7 6.162 -13.692 -4.474 49 2HG GLU 7 3HG GLU 7 5.294 -12.752 -3.278 50 H ASN 8 HN ASN 8 2.446 -12.259 -6.892 51 HA ASN 8 HA ASN 8 0.146 -14.046 -6.886 52 1HB ASN 8 2HB ASN 8 -1.087 -12.267 -8.201 53 2HB ASN 8 3HB ASN 8 -0.707 -11.765 -6.565 54 1HD2 ASN 8 1HD ASN 8 -0.273 -9.699 -6.565 55 2HD2 ASN 8 2HD ASN 8 0.770 -8.844 -7.652 56 H LYS 9 HN LYS 9 -0.732 -13.639 -9.519 57 HA LYS 9 HA LYS 9 1.412 -14.833 -11.004 58 1HB LYS 9 2HB LYS 9 -1.520 -14.421 -11.345 59 2HB LYS 9 3HB LYS 9 -0.569 -14.577 -12.808 60 1HG LYS 9 2HG LYS 9 -0.585 -16.825 -12.505 61 2HG LYS 9 3HG LYS 9 0.443 -16.594 -11.104 62 1HD LYS 9 2HD LYS 9 -1.233 -17.313 -9.763 63 2HD LYS 9 3HD LYS 9 -2.207 -15.942 -10.254 64 1HE LYS 9 2HE LYS 9 -2.023 -18.514 -11.887 65 2HE LYS 9 3HE LYS 9 -3.255 -18.245 -10.671 66 1HZ LYS 9 1HZ LYS 9 -2.808 -16.376 -12.887 67 2HZ LYS 9 2HZ LYS 9 -3.854 -17.626 -12.986 68 3HZ LYS 9 3HZ LYS 9 -4.095 -16.445 -11.884 69 H LYS 10 HN LYS 10 -0.388 -11.717 -10.944 70 HA LYS 10 HA LYS 10 1.184 -10.739 -13.166 71 1HB LYS 10 2HB LYS 10 -1.080 -9.603 -11.516 72 2HB LYS 10 3HB LYS 10 -0.190 -8.629 -12.669 73 1HG LYS 10 2HG LYS 10 -1.079 -11.273 -13.719 74 2HG LYS 10 3HG LYS 10 -2.387 -10.187 -13.294 75 1HD LYS 10 2HD LYS 10 -0.274 -8.754 -14.737 76 2HD LYS 10 3HD LYS 10 -0.831 -10.134 -15.662 77 1HE LYS 10 2HE LYS 10 -3.252 -9.247 -15.007 78 2HE LYS 10 3HE LYS 10 -2.417 -7.737 -14.700 79 1HZ LYS 10 1HZ LYS 10 -2.848 -7.528 -16.887 80 2HZ LYS 10 2HZ LYS 10 -1.410 -8.289 -17.030 81 3HZ LYS 10 3HZ LYS 10 -2.800 -9.128 -17.206 82 H GLY 11 HN GLY 11 2.946 -11.534 -11.249 83 1HA GLY 11 1HA GLY 11 4.880 -10.536 -10.478 84 2HA GLY 11 2HA GLY 11 4.079 -8.979 -10.419 85 H ASN 12 HN ASN 12 3.980 -8.227 -8.350 86 HA ASN 12 HA ASN 12 2.512 -9.522 -6.426 87 1HB ASN 12 2HB ASN 12 4.177 -10.319 -4.839 88 2HB ASN 12 3HB ASN 12 4.556 -11.057 -6.382 89 1HD2 ASN 12 1HD ASN 12 6.495 -10.800 -7.237 90 2HD2 ASN 12 2HD ASN 12 7.729 -9.717 -6.686 91 H VAL 13 HN VAL 13 2.156 -8.020 -4.673 92 HA VAL 13 HA VAL 13 3.357 -5.417 -5.099 93 HB VAL 13 HB VAL 13 0.983 -5.502 -4.899 94 1HG1 VAL 13 1HG VAL 13 0.484 -7.512 -3.798 95 2HG1 VAL 13 2HG VAL 13 1.517 -7.116 -2.403 96 3HG1 VAL 13 3HG VAL 13 -0.023 -6.256 -2.643 97 1HG2 VAL 13 1HG VAL 13 2.638 -3.956 -3.211 98 2HG2 VAL 13 2HG VAL 13 0.985 -3.584 -3.760 99 3HG2 VAL 13 3HG VAL 13 1.241 -4.445 -2.223 100 H THR 14 HN THR 14 5.076 -4.688 -3.962 101 HA THR 14 HA THR 14 5.959 -6.285 -1.692 102 HB THR 14 HB THR 14 7.187 -4.110 -3.452 103 HG1 THR 14 HG1 THR 14 8.407 -5.993 -4.067 104 1HG2 THR 14 1HG THR 14 9.334 -4.939 -2.168 105 2HG2 THR 14 2HG THR 14 8.320 -3.699 -1.391 106 3HG2 THR 14 3HG THR 14 8.192 -5.400 -0.883 107 H PHE 15 HN PHE 15 4.066 -5.629 -0.367 108 HA PHE 15 HA PHE 15 3.567 -3.011 0.338 109 1HB PHE 15 2HB PHE 15 3.093 -5.786 1.284 110 2HB PHE 15 3HB PHE 15 3.194 -4.669 2.632 111 HD1 PHE 15 HD1 PHE 15 1.311 -5.548 -0.395 112 HD2 PHE 15 HD2 PHE 15 1.481 -3.021 3.009 113 HE1 PHE 15 HE1 PHE 15 -1.072 -4.862 -0.786 114 HE2 PHE 15 HE2 PHE 15 -0.902 -2.335 2.620 115 HZ PHE 15 HZ PHE 15 -2.150 -3.264 0.728 116 H ASP 16 HN ASP 16 3.873 -2.181 2.729 117 HA ASP 16 HA ASP 16 6.465 -2.911 3.748 118 1HB ASP 16 2HB ASP 16 5.701 -0.087 2.877 119 2HB ASP 16 3HB ASP 16 7.067 -0.428 3.920 120 H HIS 17 HN HIS 17 5.893 -3.343 5.889 121 HA HIS 17 HA HIS 17 3.763 -1.752 7.063 122 1HB HIS 17 2HB HIS 17 4.419 -4.468 7.149 123 2HB HIS 17 3HB HIS 17 4.874 -3.868 8.730 124 HD1 HIS 17 HD1 HIS 17 2.927 -5.042 9.954 125 HD2 HIS 17 HD2 HIS 17 1.684 -2.406 6.938 126 HE1 HIS 17 HE1 HIS 17 0.409 -4.755 10.250 127 H LYS 18 HN LYS 18 7.173 -2.806 7.691 128 HA LYS 18 HA LYS 18 7.343 -0.747 9.749 129 1HB LYS 18 2HB LYS 18 8.288 -3.361 9.607 130 2HB LYS 18 3HB LYS 18 9.717 -2.395 9.303 131 1HG LYS 18 2HG LYS 18 8.505 -1.002 11.392 132 2HG LYS 18 3HG LYS 18 8.118 -2.664 11.786 133 1HD LYS 18 2HD LYS 18 10.271 -3.137 12.368 134 2HD LYS 18 3HD LYS 18 10.910 -2.406 10.910 135 1HE LYS 18 2HE LYS 18 10.481 -0.115 12.015 136 2HE LYS 18 3HE LYS 18 10.154 -0.985 13.500 137 1HZ LYS 18 1HZ LYS 18 12.382 -2.045 13.132 138 2HZ LYS 18 2HZ LYS 18 12.661 -0.909 11.992 139 3HZ LYS 18 3HZ LYS 18 12.401 -0.464 13.542 140 H ALA 19 HN ALA 19 7.933 -1.262 6.406 141 HA ALA 19 HA ALA 19 10.231 0.457 6.254 142 1HB ALA 19 1HB ALA 19 10.425 -0.717 4.348 143 2HB ALA 19 2HB ALA 19 8.802 -1.413 4.573 144 3HB ALA 19 3HB ALA 19 8.996 0.135 3.715 145 H HIS 20 HN HIS 20 6.719 0.731 6.261 146 HA HIS 20 HA HIS 20 6.946 3.471 5.279 147 1HB HIS 20 2HB HIS 20 4.622 1.554 5.520 148 2HB HIS 20 3HB HIS 20 4.388 3.268 5.238 149 HD1 HIS 20 HD1 HIS 20 7.405 2.002 3.543 150 HD2 HIS 20 HD2 HIS 20 3.311 2.304 2.681 151 HE1 HIS 20 HE1 HIS 20 7.181 1.692 1.020 152 H ALA 21 HN ALA 21 5.333 1.525 7.895 153 HA ALA 21 HA ALA 21 4.354 3.475 9.449 154 1HB ALA 21 1HB ALA 21 4.939 1.935 11.385 155 2HB ALA 21 2HB ALA 21 4.094 1.157 10.023 156 3HB ALA 21 3HB ALA 21 5.850 0.944 10.220 157 H GLU 22 HN GLU 22 7.810 2.448 9.239 158 HA GLU 22 HA GLU 22 8.927 3.742 11.245 159 1HB GLU 22 2HB GLU 22 10.886 4.212 9.662 160 2HB GLU 22 3HB GLU 22 10.327 2.553 9.722 161 1HG GLU 22 2HG GLU 22 9.667 2.576 7.538 162 2HG GLU 22 3HG GLU 22 8.861 4.123 7.707 163 H LYS 23 HN LYS 23 7.329 5.243 8.461 164 HA LYS 23 HA LYS 23 8.031 7.868 9.581 165 1HB LYS 23 2HB LYS 23 7.353 7.292 6.687 166 2HB LYS 23 3HB LYS 23 7.940 8.795 7.369 167 1HG LYS 23 2HG LYS 23 9.514 6.180 7.460 168 2HG LYS 23 3HG LYS 23 9.711 7.381 6.198 169 1HD LYS 23 2HD LYS 23 9.843 8.684 8.800 170 2HD LYS 23 3HD LYS 23 10.957 7.332 8.771 171 1HE LYS 23 2HE LYS 23 12.254 8.245 7.047 172 2HE LYS 23 3HE LYS 23 10.911 9.133 6.356 173 1HZ LYS 23 1HZ LYS 23 12.187 10.725 7.393 174 2HZ LYS 23 2HZ LYS 23 11.014 10.461 8.498 175 3HZ LYS 23 3HZ LYS 23 12.498 9.814 8.712 176 H LEU 24 HN LEU 24 5.517 6.003 7.744 177 HA LEU 24 HA LEU 24 3.456 7.749 7.926 178 1HB LEU 24 2HB LEU 24 3.560 4.746 8.042 179 2HB LEU 24 3HB LEU 24 2.034 5.608 8.083 180 HG LEU 24 HG LEU 24 2.777 4.746 5.829 181 1HD1 LEU 24 1HD LEU 24 1.626 7.303 6.543 182 2HD1 LEU 24 2HD LEU 24 2.469 7.396 4.977 183 3HD1 LEU 24 3HD LEU 24 1.193 6.181 5.230 184 1HD2 LEU 24 1HD LEU 24 4.405 6.159 4.583 185 2HD2 LEU 24 2HD LEU 24 4.821 6.962 6.115 186 3HD2 LEU 24 3HD LEU 24 5.131 5.221 5.911 187 H GLY 25 HN GLY 25 3.294 4.934 10.148 188 1HA GLY 25 1HA GLY 25 3.631 5.461 12.571 189 2HA GLY 25 2HA GLY 25 2.568 6.828 12.302 190 H CYS 26 HN CYS 26 1.590 4.328 10.221 191 HA CYS 26 HA CYS 26 0.138 2.640 10.386 192 1HB CYS 26 2HB CYS 26 -0.529 3.196 13.255 193 2HB CYS 26 3HB CYS 26 -0.619 1.690 12.365 194 H ASP 27 HN ASP 27 -0.977 5.152 12.783 195 HA ASP 27 HA ASP 27 -3.543 5.259 12.190 196 1HB ASP 27 2HB ASP 27 -1.847 7.785 12.436 197 2HB ASP 27 3HB ASP 27 -3.532 7.611 12.887 198 H ALA 28 HN ALA 28 -0.831 6.316 10.160 199 HA ALA 28 HA ALA 28 -2.006 8.118 8.469 200 1HB ALA 28 1HB ALA 28 -0.345 7.138 6.779 201 2HB ALA 28 2HB ALA 28 0.336 7.688 8.329 202 3HB ALA 28 3HB ALA 28 0.077 5.952 8.038 203 H CYS 29 HN CYS 29 -2.060 4.498 8.318 204 HA CYS 29 HA CYS 29 -4.065 4.735 6.211 205 1HB CYS 29 2HB CYS 29 -2.926 2.102 7.015 206 2HB CYS 29 3HB CYS 29 -3.469 2.662 5.447 207 H HIS 30 HN HIS 30 -3.294 3.039 9.332 208 HA HIS 30 HA HIS 30 -6.049 2.243 9.594 209 1HB HIS 30 2HB HIS 30 -3.803 1.885 11.588 210 2HB HIS 30 3HB HIS 30 -5.319 1.010 11.517 211 HD1 HIS 30 HD1 HIS 30 -5.495 -0.978 9.886 212 HD2 HIS 30 HD2 HIS 30 -1.875 1.124 9.597 213 HE1 HIS 30 HE1 HIS 30 -3.954 -2.404 8.436 214 H GLU 31 HN GLU 31 -6.454 2.482 12.372 215 HA GLU 31 HA GLU 31 -5.841 4.853 13.517 216 1HB GLU 31 2HB GLU 31 -7.438 5.401 11.277 217 2HB GLU 31 3HB GLU 31 -8.576 5.455 12.608 218 1HG GLU 31 2HG GLU 31 -5.931 6.849 12.984 219 2HG GLU 31 3HG GLU 31 -7.093 7.598 11.907 220 H GLY 32 HN GLY 32 -5.998 3.724 15.452 221 1HA GLY 32 1HA GLY 32 -7.084 3.043 17.320 222 2HA GLY 32 2HA GLY 32 -8.624 3.341 16.540 223 H THR 33 HN THR 33 -5.895 1.012 16.804 224 HA THR 33 HA THR 33 -5.890 -1.219 16.763 225 HB THR 33 HB THR 33 -8.918 -1.143 16.356 226 HG1 THR 33 HG1 THR 33 -7.181 -0.892 18.711 227 1HG2 THR 33 1HG THR 33 -8.664 -3.390 16.707 228 2HG2 THR 33 2HG THR 33 -6.926 -3.192 17.031 229 3HG2 THR 33 3HG THR 33 -8.105 -2.989 18.348 230 HA PRO 34 HA PRO 34 -5.657 -1.340 12.388 231 1HB PRO 34 2HB PRO 34 -3.417 -2.900 12.253 232 2HB PRO 34 3HB PRO 34 -3.363 -1.151 12.353 233 1HG PRO 34 2HG PRO 34 -2.787 -3.146 14.457 234 2HG PRO 34 3HG PRO 34 -2.339 -1.453 14.397 235 1HD PRO 34 2HD PRO 34 -4.448 -2.617 15.955 236 2HD PRO 34 3HD PRO 34 -4.074 -0.912 15.806 237 H ALA 35 HN ALA 35 -5.620 -3.057 10.666 238 HA ALA 35 HA ALA 35 -6.075 -5.707 11.453 239 1HB ALA 35 1HB ALA 35 -8.653 -5.254 10.487 240 2HB ALA 35 2HB ALA 35 -8.206 -5.564 12.182 241 3HB ALA 35 3HB ALA 35 -8.375 -3.892 11.598 242 H LYS 36 HN LYS 36 -7.345 -6.844 9.428 243 HA LYS 36 HA LYS 36 -5.732 -6.125 7.184 244 1HB LYS 36 2HB LYS 36 -6.394 -8.161 6.269 245 2HB LYS 36 3HB LYS 36 -6.384 -8.477 7.992 246 1HG LYS 36 2HG LYS 36 -8.472 -9.348 7.471 247 2HG LYS 36 3HG LYS 36 -8.940 -7.697 7.830 248 1HD LYS 36 2HD LYS 36 -9.975 -7.943 5.763 249 2HD LYS 36 3HD LYS 36 -8.427 -7.316 5.232 250 1HE LYS 36 2HE LYS 36 -8.704 -9.199 3.841 251 2HE LYS 36 3HE LYS 36 -7.679 -9.830 5.116 252 1HZ LYS 36 1HZ LYS 36 -9.758 -10.564 6.217 253 2HZ LYS 36 2HZ LYS 36 -10.583 -10.157 4.868 254 3HZ LYS 36 3HZ LYS 36 -9.442 -11.324 4.806 255 H ILE 37 HN ILE 37 -6.219 -4.371 5.973 256 HA ILE 37 HA ILE 37 -8.920 -3.438 5.821 257 HB ILE 37 HB ILE 37 -6.422 -2.522 4.394 258 1HG1 ILE 37 2HG ILE 37 -7.657 -1.254 6.839 259 2HG1 ILE 37 3HG ILE 37 -6.458 -2.523 6.974 260 1HG2 ILE 37 1HG ILE 37 -8.269 -1.686 3.185 261 2HG2 ILE 37 2HG ILE 37 -9.178 -1.316 4.669 262 3HG2 ILE 37 3HG ILE 37 -7.739 -0.358 4.243 263 1HD1 ILE 37 1HD ILE 37 -6.004 0.254 6.520 264 2HD1 ILE 37 2HD ILE 37 -4.792 -1.049 6.561 265 3HD1 ILE 37 3HD ILE 37 -5.547 -0.585 5.018 266 H ALA 38 HN ALA 38 -9.913 -2.934 3.605 267 HA ALA 38 HA ALA 38 -9.944 -5.408 2.136 268 1HB ALA 38 1HB ALA 38 -11.532 -2.842 2.177 269 2HB ALA 38 2HB ALA 38 -11.690 -3.963 0.804 270 3HB ALA 38 3HB ALA 38 -12.079 -4.514 2.450 271 H ILE 39 HN ILE 39 -8.074 -5.690 0.937 272 HA ILE 39 HA ILE 39 -7.496 -3.529 -0.968 273 HB ILE 39 HB ILE 39 -5.635 -5.321 0.576 274 1HG1 ILE 39 2HG ILE 39 -6.519 -3.007 1.395 275 2HG1 ILE 39 3HG ILE 39 -4.821 -3.408 1.561 276 1HG2 ILE 39 1HG ILE 39 -4.378 -5.499 -1.262 277 2HG2 ILE 39 2HG ILE 39 -5.315 -4.265 -2.137 278 3HG2 ILE 39 3HG ILE 39 -4.014 -3.774 -1.025 279 1HD1 ILE 39 1HD ILE 39 -5.677 -1.097 0.432 280 2HD1 ILE 39 2HD ILE 39 -4.154 -1.885 -0.042 281 3HD1 ILE 39 3HD ILE 39 -5.620 -2.119 -1.024 282 H ASP 40 HN ASP 40 -7.374 -4.083 -3.123 283 HA ASP 40 HA ASP 40 -6.717 -6.450 -4.176 284 1HB ASP 40 2HB ASP 40 -9.384 -6.575 -2.965 285 2HB ASP 40 3HB ASP 40 -9.482 -6.864 -4.690 286 H LYS 41 HN LYS 41 -7.891 -6.712 -6.518 287 HA LYS 41 HA LYS 41 -7.468 -4.551 -8.015 288 1HB LYS 41 2HB LYS 41 -8.379 -7.043 -8.497 289 2HB LYS 41 3HB LYS 41 -9.856 -6.149 -8.794 290 1HG LYS 41 2HG LYS 41 -8.029 -4.565 -10.121 291 2HG LYS 41 3HG LYS 41 -7.294 -6.142 -10.325 292 1HD LYS 41 2HD LYS 41 -8.866 -6.779 -11.841 293 2HD LYS 41 3HD LYS 41 -10.181 -6.299 -10.785 294 1HE LYS 41 2HE LYS 41 -9.603 -3.848 -11.488 295 2HE LYS 41 3HE LYS 41 -8.656 -4.570 -12.773 296 1HZ LYS 41 1HZ LYS 41 -11.376 -4.183 -12.720 297 2HZ LYS 41 2HZ LYS 41 -10.505 -4.929 -13.883 298 3HZ LYS 41 3HZ LYS 41 -11.159 -5.800 -12.666 299 H LYS 42 HN LYS 42 -8.414 -2.609 -8.546 300 HA LYS 42 HA LYS 42 -10.048 -1.065 -8.693 301 1HB LYS 42 2HB LYS 42 -11.644 -3.178 -8.292 302 2HB LYS 42 3HB LYS 42 -11.891 -2.384 -6.749 303 1HG LYS 42 2HG LYS 42 -12.788 -0.426 -7.743 304 2HG LYS 42 3HG LYS 42 -12.039 -0.747 -9.295 305 1HD LYS 42 2HD LYS 42 -14.022 -1.636 -9.954 306 2HD LYS 42 3HD LYS 42 -13.673 -2.994 -8.903 307 1HE LYS 42 2HE LYS 42 -15.211 -2.341 -7.332 308 2HE LYS 42 3HE LYS 42 -14.758 -0.652 -7.445 309 1HZ LYS 42 1HZ LYS 42 -16.471 -2.107 -9.339 310 2HZ LYS 42 2HZ LYS 42 -16.951 -0.963 -8.277 311 3HZ LYS 42 3HZ LYS 42 -15.992 -0.558 -9.535 312 H SER 43 HN SER 43 -10.434 -2.380 -5.331 313 HA SER 43 HA SER 43 -10.337 0.053 -4.120 314 1HB SER 43 2HB SER 43 -9.797 -2.772 -3.252 315 2HB SER 43 3HB SER 43 -9.323 -1.495 -2.150 316 HG SER 43 HG SER 43 -11.895 -1.171 -3.244 317 H ALA 44 HN ALA 44 -7.616 -2.369 -4.308 318 HA ALA 44 HA ALA 44 -5.668 -0.676 -3.294 319 1HB ALA 44 1HB ALA 44 -5.794 -3.285 -3.911 320 2HB ALA 44 2HB ALA 44 -4.947 -2.713 -5.369 321 3HB ALA 44 3HB ALA 44 -4.244 -2.424 -3.760 322 H HIS 45 HN HIS 45 -7.373 -0.599 -6.310 323 HA HIS 45 HA HIS 45 -5.234 0.961 -7.537 324 1HB HIS 45 2HB HIS 45 -7.640 -0.499 -8.606 325 2HB HIS 45 3HB HIS 45 -6.887 0.772 -9.549 326 HD1 HIS 45 HD1 HIS 45 -6.457 -1.391 -11.202 327 HD2 HIS 45 HD2 HIS 45 -4.182 -1.178 -7.684 328 HE1 HIS 45 HE1 HIS 45 -4.472 -2.958 -11.538 329 H LYS 46 HN LYS 46 -7.717 1.450 -5.427 330 HA LYS 46 HA LYS 46 -8.534 3.962 -6.702 331 1HB LYS 46 2HB LYS 46 -10.121 1.969 -5.726 332 2HB LYS 46 3HB LYS 46 -9.993 2.997 -4.314 333 1HG LYS 46 2HG LYS 46 -10.445 4.932 -6.150 334 2HG LYS 46 3HG LYS 46 -11.204 3.602 -7.003 335 1HD LYS 46 2HD LYS 46 -13.049 4.022 -5.737 336 2HD LYS 46 3HD LYS 46 -12.181 3.271 -4.412 337 1HE LYS 46 2HE LYS 46 -11.599 5.319 -3.437 338 2HE LYS 46 3HE LYS 46 -11.610 6.178 -4.964 339 1HZ LYS 46 1HZ LYS 46 -14.079 5.755 -4.934 340 2HZ LYS 46 2HZ LYS 46 -13.911 5.349 -3.362 341 3HZ LYS 46 3HZ LYS 46 -13.514 6.850 -3.864 342 H ASP 47 HN ASP 47 -9.475 5.015 -4.080 343 HA ASP 47 HA ASP 47 -7.307 6.502 -3.438 344 1HB ASP 47 2HB ASP 47 -9.842 5.732 -2.000 345 2HB ASP 47 3HB ASP 47 -8.617 6.579 -1.077 346 H ALA 48 HN ALA 48 -8.141 3.199 -2.556 347 HA ALA 48 HA ALA 48 -7.058 2.745 -0.145 348 1HB ALA 48 1HB ALA 48 -6.802 0.501 -0.838 349 2HB ALA 48 2HB ALA 48 -8.064 1.141 -1.916 350 3HB ALA 48 3HB ALA 48 -6.394 0.968 -2.507 351 H CYS 49 HN CYS 49 -5.173 2.785 -3.257 352 HA CYS 49 HA CYS 49 -2.792 3.216 -1.611 353 1HB CYS 49 2HB CYS 49 -3.319 1.640 -4.034 354 2HB CYS 49 3HB CYS 49 -1.877 2.631 -4.137 355 H LYS 50 HN LYS 50 -4.194 4.020 -4.883 356 HA LYS 50 HA LYS 50 -2.600 6.225 -5.357 357 1HB LYS 50 2HB LYS 50 -5.396 5.559 -6.319 358 2HB LYS 50 3HB LYS 50 -4.425 6.869 -6.961 359 1HG LYS 50 2HG LYS 50 -2.584 5.121 -7.413 360 2HG LYS 50 3HG LYS 50 -3.770 3.891 -7.023 361 1HD LYS 50 2HD LYS 50 -4.573 4.006 -9.137 362 2HD LYS 50 3HD LYS 50 -5.052 5.669 -8.857 363 1HE LYS 50 2HE LYS 50 -2.349 5.997 -9.270 364 2HE LYS 50 3HE LYS 50 -2.654 4.600 -10.283 365 1HZ LYS 50 1HZ LYS 50 -3.017 6.958 -11.196 366 2HZ LYS 50 2HZ LYS 50 -4.079 5.779 -11.590 367 3HZ LYS 50 3HZ LYS 50 -4.463 6.873 -10.440 368 H THR 51 HN THR 51 -2.286 7.706 -3.727 369 HA THR 51 HA THR 51 -3.984 9.783 -3.364 370 HB THR 51 HB THR 51 -4.781 7.382 -1.761 371 HG1 THR 51 HG1 THR 51 -5.881 9.965 -2.624 372 1HG2 THR 51 1HG THR 51 -5.806 9.141 -0.083 373 2HG2 THR 51 2HG THR 51 -4.131 8.600 0.184 374 3HG2 THR 51 3HG THR 51 -4.447 10.172 -0.591 375 H CYS 52 HN CYS 52 -2.451 7.742 -0.792 376 HA CYS 52 HA CYS 52 -1.006 9.989 0.139 377 1HB CYS 52 2HB CYS 52 -1.524 8.510 1.822 378 2HB CYS 52 3HB CYS 52 -1.173 7.093 0.852 379 H HIS 53 HN HIS 53 -0.678 7.940 -2.550 380 HA HIS 53 HA HIS 53 2.232 8.067 -2.508 381 1HB HIS 53 2HB HIS 53 0.213 6.305 -3.736 382 2HB HIS 53 3HB HIS 53 1.534 6.730 -4.806 383 HD1 HIS 53 HD1 HIS 53 2.588 4.372 -4.762 384 HD2 HIS 53 HD2 HIS 53 2.247 6.145 -0.975 385 HE1 HIS 53 HE1 HIS 53 3.961 2.927 -3.170 386 H LYS 54 HN LYS 54 0.466 10.460 -2.823 387 HA LYS 54 HA LYS 54 1.109 11.141 -5.602 388 1HB LYS 54 2HB LYS 54 -0.929 12.332 -3.698 389 2HB LYS 54 3HB LYS 54 -0.574 12.957 -5.296 390 1HG LYS 54 2HG LYS 54 -1.068 10.533 -6.148 391 2HG LYS 54 3HG LYS 54 -1.783 10.262 -4.571 392 1HD LYS 54 2HD LYS 54 -3.682 11.323 -5.208 393 2HD LYS 54 3HD LYS 54 -2.781 12.781 -5.572 394 1HE LYS 54 2HE LYS 54 -2.181 11.021 -7.712 395 2HE LYS 54 3HE LYS 54 -3.891 10.783 -7.412 396 1HZ LYS 54 1HZ LYS 54 -3.465 12.597 -8.933 397 2HZ LYS 54 2HZ LYS 54 -4.212 13.141 -7.587 398 3HZ LYS 54 3HZ LYS 54 -2.614 13.402 -7.796 399 H SER 55 HN SER 55 1.154 12.397 -2.201 400 HA SER 55 HA SER 55 2.916 14.492 -3.012 401 1HB SER 55 2HB SER 55 1.076 14.528 -1.145 402 2HB SER 55 3HB SER 55 2.275 13.734 -0.144 403 HG SER 55 HG SER 55 2.043 16.339 -0.541 404 H ASN 56 HN ASN 56 4.205 12.250 -3.791 405 HA ASN 56 HA ASN 56 6.594 12.374 -2.470 406 1HB ASN 56 2HB ASN 56 4.913 10.910 -0.868 407 2HB ASN 56 3HB ASN 56 5.509 9.625 -1.899 408 1HD2 ASN 56 1HD ASN 56 6.306 12.060 0.458 409 2HD2 ASN 56 2HD ASN 56 7.891 11.500 0.876 410 H ASN 57 HN ASN 57 7.530 9.651 -2.923 411 HA ASN 57 HA ASN 57 7.885 9.707 -5.651 412 1HB ASN 57 2HB ASN 57 8.161 7.393 -3.662 413 2HB ASN 57 3HB ASN 57 8.765 7.330 -5.306 414 1HD2 ASN 57 1HD ASN 57 10.527 6.926 -3.381 415 2HD2 ASN 57 2HD ASN 57 11.597 8.268 -3.155 416 H GLY 58 HN GLY 58 6.225 7.089 -3.720 417 1HA GLY 58 1HA GLY 58 4.684 5.559 -4.392 418 2HA GLY 58 2HA GLY 58 3.754 7.008 -4.720 419 HA PRO 59 HA PRO 59 5.615 5.327 -8.774 420 1HB PRO 59 2HB PRO 59 6.249 2.669 -8.826 421 2HB PRO 59 3HB PRO 59 7.438 3.934 -8.583 422 1HG PRO 59 2HG PRO 59 6.283 2.070 -6.600 423 2HG PRO 59 3HG PRO 59 7.745 3.030 -6.484 424 1HD PRO 59 2HD PRO 59 5.226 3.577 -5.224 425 2HD PRO 59 3HD PRO 59 6.652 4.596 -5.202 426 H THR 60 HN THR 60 3.137 5.804 -8.296 427 HA THR 60 HA THR 60 1.590 3.411 -8.849 428 HB THR 60 HB THR 60 0.857 5.120 -7.164 429 HG1 THR 60 HG1 THR 60 -0.638 5.030 -9.691 430 1HG2 THR 60 1HG THR 60 0.037 7.302 -7.923 431 2HG2 THR 60 2HG THR 60 1.740 7.160 -8.420 432 3HG2 THR 60 3HG THR 60 0.441 6.911 -9.612 433 H LYS 61 HN LYS 61 3.414 3.810 -10.896 434 HA LYS 61 HA LYS 61 1.677 4.874 -13.014 435 1HB LYS 61 2HB LYS 61 3.636 5.470 -14.253 436 2HB LYS 61 3HB LYS 61 3.779 6.152 -12.647 437 1HG LYS 61 2HG LYS 61 5.130 4.042 -12.012 438 2HG LYS 61 3HG LYS 61 5.169 3.662 -13.723 439 1HD LYS 61 2HD LYS 61 7.061 4.941 -13.767 440 2HD LYS 61 3HD LYS 61 5.962 6.305 -13.771 441 1HE LYS 61 2HE LYS 61 6.094 5.715 -11.061 442 2HE LYS 61 3HE LYS 61 7.711 5.292 -11.587 443 1HZ LYS 61 1HZ LYS 61 7.066 7.724 -10.978 444 2HZ LYS 61 2HZ LYS 61 8.153 7.416 -12.157 445 3HZ LYS 61 3HZ LYS 61 6.612 7.794 -12.544 446 H CYS 62 HN CYS 62 1.577 2.196 -11.717 447 HA CYS 62 HA CYS 62 1.000 0.222 -12.608 448 1HB CYS 62 2HB CYS 62 1.276 1.537 -14.936 449 2HB CYS 62 3HB CYS 62 2.638 0.444 -15.077 450 H GLY 63 HN GLY 63 4.261 0.868 -14.087 451 1HA GLY 63 1HA GLY 63 5.389 -1.505 -13.007 452 2HA GLY 63 2HA GLY 63 6.228 -0.203 -13.827 453 H GLY 64 HN GLY 64 4.520 -0.840 -10.678 454 1HA GLY 64 1HA GLY 64 6.813 0.379 -9.295 455 2HA GLY 64 2HA GLY 64 5.199 0.988 -8.987 456 H CYS 65 HN CYS 65 3.592 -1.280 -8.965 457 HA CYS 65 HA CYS 65 4.644 -2.620 -6.605 458 1HB CYS 65 2HB CYS 65 1.895 -3.253 -7.276 459 2HB CYS 65 3HB CYS 65 2.578 -2.614 -5.794 460 H HIS 66 HN HIS 66 3.159 -3.166 -9.859 461 HA HIS 66 HA HIS 66 3.622 -6.007 -9.613 462 1HB HIS 66 2HB HIS 66 2.394 -4.317 -11.808 463 2HB HIS 66 3HB HIS 66 2.560 -6.061 -11.883 464 HD1 HIS 66 HD1 HIS 66 0.673 -7.410 -10.915 465 HD2 HIS 66 HD2 HIS 66 0.685 -3.453 -9.525 466 HE1 HIS 66 HE1 HIS 66 -1.457 -7.129 -9.538 467 H ILE 67 HN ILE 67 5.730 -6.625 -9.813 468 HA ILE 67 HA ILE 67 7.314 -5.272 -11.871 469 HB ILE 67 HB ILE 67 8.104 -6.892 -9.449 470 1HG1 ILE 67 2HG ILE 67 8.886 -4.041 -9.947 471 2HG1 ILE 67 3HG ILE 67 7.265 -4.383 -9.378 472 1HG2 ILE 67 1HG ILE 67 10.386 -6.586 -10.025 473 2HG2 ILE 67 2HG ILE 67 9.579 -7.257 -11.462 474 3HG2 ILE 67 3HG ILE 67 9.974 -5.524 -11.393 475 1HD1 ILE 67 1HD ILE 67 9.695 -5.599 -8.015 476 2HD1 ILE 67 2HD ILE 67 9.090 -3.982 -7.584 477 3HD1 ILE 67 3HD ILE 67 8.048 -5.408 -7.370 478 H LYS 68 HN LYS 68 6.770 -6.293 -13.782 479 HA LYS 68 HA LYS 68 6.257 -9.046 -13.950 480 1HB LYS 68 2HB LYS 68 5.951 -6.849 -15.585 481 2HB LYS 68 3HB LYS 68 7.235 -7.726 -16.393 482 1HG LYS 68 2HG LYS 68 4.988 -9.433 -15.424 483 2HG LYS 68 3HG LYS 68 4.544 -8.283 -16.670 484 1HD LYS 68 2HD LYS 68 5.784 -9.348 -18.293 485 2HD LYS 68 3HD LYS 68 7.098 -9.720 -17.195 486 1HE LYS 68 2HE LYS 68 6.336 -11.851 -17.039 487 2HE LYS 68 3HE LYS 68 4.873 -11.256 -16.279 488 1HZ LYS 68 1HZ LYS 68 3.808 -11.142 -18.317 489 2HZ LYS 68 2HZ LYS 68 5.187 -11.217 -19.188 490 3HZ LYS 68 3HZ LYS 68 4.640 -12.544 -18.410 491 HHA HEC 98 HGM HEC 98 -3.882 -5.423 7.453 492 HHB HEC 98 HDM HEC 98 -1.051 -3.465 12.661 493 HHC HEC 98 HAM HEC 98 1.661 1.177 9.313 494 HHD HEC 98 HBM HEC 98 -1.608 -0.643 4.330 495 1HMA HEC 98 1HM HEC 98 -2.258 -5.276 13.199 496 2HMA HEC 98 2HM HEC 98 -3.123 -6.659 12.486 497 3HMA HEC 98 3HM HEC 98 -1.345 -6.598 12.435 498 1HAA HEC 98 1HA HEC 98 -3.727 -7.575 10.497 499 2HAA HEC 98 2HA HEC 98 -4.593 -6.721 9.199 500 1HBA HEC 98 3HB HEC 98 -3.556 -8.220 7.775 501 2HBA HEC 98 4HB HEC 98 -2.102 -7.225 8.019 502 1HMB HEC 98 1HM HEC 98 -0.056 -2.428 14.049 503 2HMB HEC 98 2HM HEC 98 1.244 -1.235 14.265 504 3HMB HEC 98 3HM HEC 98 -0.454 -0.704 14.234 505 HAB HEC 98 HT2 HEC 98 2.284 1.419 11.208 506 1HBB HEC 98 1HT HEC 98 3.995 1.054 12.901 507 2HBB HEC 98 2HT HEC 98 3.310 -0.570 13.156 508 3HBB HEC 98 3HT HEC 98 3.938 -0.110 11.555 509 1HMC HEC 98 1HM HEC 98 1.847 2.843 8.155 510 2HMC HEC 98 2HM HEC 98 2.814 2.225 6.796 511 3HMC HEC 98 3HM HEC 98 1.503 3.389 6.497 512 HAC HEC 98 HT4 HEC 98 -1.295 2.137 4.547 513 1HBC HEC 98 1HT HEC 98 0.318 1.855 2.472 514 2HBC HEC 98 2HT HEC 98 1.024 0.548 3.452 515 3HBC HEC 98 3HT HEC 98 -0.699 0.495 3.007 516 1HMD HEC 98 1HM HEC 98 -3.082 -3.100 2.484 517 2HMD HEC 98 2HM HEC 98 -4.323 -1.958 3.052 518 3HMD HEC 98 3HM HEC 98 -2.638 -1.418 2.865 519 1HAD HEC 98 1HA HEC 98 -4.529 -5.652 5.287 520 2HAD HEC 98 2HA HEC 98 -4.903 -4.578 3.918 521 1HBD HEC 98 3HB HEC 98 -2.550 -5.150 3.075 522 2HBD HEC 98 4HB HEC 98 -2.603 -6.484 4.253 523 HHA HEC 128 HGM HEC 128 8.365 3.856 -0.830 524 HHB HEC 128 HDM HEC 128 4.481 -0.305 -3.396 525 HHC HEC 128 HAM HEC 128 -0.171 1.941 0.267 526 HHD HEC 128 HBM HEC 128 3.732 6.317 2.373 527 1HMA HEC 128 1HM HEC 128 8.208 -0.211 -4.135 528 2HMA HEC 128 2HM HEC 128 7.455 -1.343 -2.988 529 3HMA HEC 128 3HM HEC 128 6.488 -0.635 -4.303 530 1HAA HEC 128 1HA HEC 128 9.609 1.276 -3.052 531 2HAA HEC 128 2HA HEC 128 9.518 2.761 -2.075 532 1HBA HEC 128 3HB HEC 128 9.211 0.855 -0.100 533 2HBA HEC 128 4HB HEC 128 10.253 -0.034 -1.237 534 1HMB HEC 128 1HM HEC 128 0.991 -1.589 -3.688 535 2HMB HEC 128 2HM HEC 128 1.858 -0.388 -4.674 536 3HMB HEC 128 3HM HEC 128 2.769 -1.625 -3.775 537 HAB HEC 128 HT2 HEC 128 -1.093 0.722 -1.307 538 1HBB HEC 128 1HT HEC 128 -0.673 -0.554 0.528 539 2HBB HEC 128 2HT HEC 128 -1.771 -1.484 -0.519 540 3HBB HEC 128 3HT HEC 128 -0.045 -1.910 -0.437 541 1HMC HEC 128 1HM HEC 128 -1.673 4.400 1.277 542 2HMC HEC 128 2HM HEC 128 -1.288 2.716 1.706 543 3HMC HEC 128 3HM HEC 128 -1.239 3.986 2.952 544 HAC HEC 128 HT4 HEC 128 1.637 6.672 3.369 545 1HBC HEC 128 1HT HEC 128 -0.569 7.171 4.156 546 2HBC HEC 128 2HT HEC 128 -1.327 6.208 2.864 547 3HBC HEC 128 3HT HEC 128 -0.428 5.396 4.169 548 1HMD HEC 128 1HM HEC 128 5.065 7.768 2.672 549 2HMD HEC 128 2HM HEC 128 6.572 7.192 3.423 550 3HMD HEC 128 3HM HEC 128 6.638 8.232 1.980 551 1HAD HEC 128 1HA HEC 128 9.248 5.416 0.548 552 2HAD HEC 128 2HA HEC 128 8.709 7.023 1.092 553 1HBD HEC 128 3HB HEC 128 8.682 6.373 3.341 554 2HBD HEC 128 4HB HEC 128 8.745 4.641 2.933 555 HHA HEC 158 HGM HEC 158 -3.979 -7.246 -6.871 556 HHB HEC 158 HDM HEC 158 -3.190 -6.002 -12.937 557 HHC HEC 158 HAM HEC 158 -0.855 -0.330 -11.359 558 HHD HEC 158 HBM HEC 158 -1.287 -1.932 -5.354 559 1HMA HEC 158 1HM HEC 158 -4.114 -8.021 -12.798 560 2HMA HEC 158 2HM HEC 158 -4.907 -9.145 -11.669 561 3HMA HEC 158 3HM HEC 158 -5.782 -7.714 -12.258 562 1HAA HEC 158 1HA HEC 158 -5.366 -8.370 -7.704 563 2HAA HEC 158 2HA HEC 158 -6.252 -8.738 -9.202 564 1HBA HEC 158 3HB HEC 158 -3.888 -9.884 -9.876 565 2HBA HEC 158 4HB HEC 158 -3.723 -10.007 -8.109 566 1HMB HEC 158 1HM HEC 158 -2.187 -3.683 -15.517 567 2HMB HEC 158 2HM HEC 158 -0.968 -4.813 -14.882 568 3HMB HEC 158 3HM HEC 158 -2.700 -5.189 -14.720 569 HAB HEC 158 HT2 HEC 158 -0.052 -1.122 -13.820 570 1HBB HEC 158 1HT HEC 158 -2.038 0.620 -14.504 571 2HBB HEC 158 2HT HEC 158 -2.455 0.035 -12.876 572 3HBB HEC 158 3HT HEC 158 -0.846 0.729 -13.188 573 1HMC HEC 158 1HM HEC 158 1.110 1.219 -9.666 574 2HMC HEC 158 2HM HEC 158 -0.445 1.428 -10.504 575 3HMC HEC 158 3HM HEC 158 -0.197 2.149 -8.897 576 HAC HEC 158 HT4 HEC 158 -0.192 -0.023 -5.442 577 1HBC HEC 158 1HT HEC 158 1.013 2.270 -6.979 578 2HBC HEC 158 2HT HEC 158 -0.757 2.192 -6.800 579 3HBC HEC 158 3HT HEC 158 0.282 2.246 -5.356 580 1HMD HEC 158 1HM HEC 158 -2.698 -3.966 -2.747 581 2HMD HEC 158 2HM HEC 158 -0.973 -3.953 -3.187 582 3HMD HEC 158 3HM HEC 158 -1.972 -2.507 -3.466 583 1HAD HEC 158 1HA HEC 158 -4.032 -5.517 -3.268 584 2HAD HEC 158 2HA HEC 158 -4.684 -6.538 -4.571 585 1HBD HEC 158 3HB HEC 158 -2.035 -6.862 -3.157 586 2HBD HEC 158 4HB HEC 158 -3.472 -7.904 -3.018 Start of MODEL 6 1 H ALA 1 HN ALA 1 5.936 -5.621 13.180 2 HA ALA 1 HA ALA 1 5.006 -7.032 11.534 3 1HB ALA 1 1HB ALA 1 3.052 -5.788 10.976 4 2HB ALA 1 2HB ALA 1 4.004 -4.384 10.437 5 3HB ALA 1 3HB ALA 1 4.000 -5.882 9.474 6 H ASP 2 HN ASP 2 5.617 -6.754 8.840 7 HA ASP 2 HA ASP 2 7.973 -5.283 8.458 8 1HB ASP 2 2HB ASP 2 8.514 -8.244 8.323 9 2HB ASP 2 3HB ASP 2 9.645 -6.927 8.557 10 H VAL 3 HN VAL 3 6.510 -4.771 6.606 11 HA VAL 3 HA VAL 3 5.837 -4.960 4.511 12 HB VAL 3 HB VAL 3 7.777 -7.279 4.406 13 1HG1 VAL 3 1HG VAL 3 6.517 -5.643 2.178 14 2HG1 VAL 3 2HG VAL 3 7.830 -6.826 1.968 15 3HG1 VAL 3 3HG VAL 3 6.230 -7.364 2.531 16 1HG2 VAL 3 1HG VAL 3 8.178 -4.419 4.626 17 2HG2 VAL 3 2HG VAL 3 9.373 -5.738 4.637 18 3HG2 VAL 3 3HG VAL 3 8.842 -5.031 3.092 19 H VAL 4 HN VAL 4 4.497 -6.331 2.991 20 HA VAL 4 HA VAL 4 3.414 -8.716 4.253 21 HB VAL 4 HB VAL 4 1.780 -6.276 3.533 22 1HG1 VAL 4 1HG VAL 4 0.186 -8.236 4.819 23 2HG1 VAL 4 2HG VAL 4 0.057 -7.637 3.148 24 3HG1 VAL 4 3HG VAL 4 1.061 -9.062 3.507 25 1HG2 VAL 4 1HG VAL 4 2.664 -5.900 5.677 26 2HG2 VAL 4 2HG VAL 4 1.050 -6.587 5.985 27 3HG2 VAL 4 3HG VAL 4 2.499 -7.609 6.147 28 H THR 5 HN THR 5 5.040 -9.085 2.254 29 HA THR 5 HA THR 5 4.442 -8.566 -0.321 30 HB THR 5 HB THR 5 6.298 -10.036 0.853 31 HG1 THR 5 HG1 THR 5 5.769 -9.501 -1.533 32 1HG2 THR 5 1HG THR 5 4.838 -11.879 1.653 33 2HG2 THR 5 2HG THR 5 4.216 -12.118 0.002 34 3HG2 THR 5 3HG THR 5 5.919 -12.479 0.373 35 H TYR 6 HN TYR 6 3.398 -9.847 -2.055 36 HA TYR 6 HA TYR 6 1.107 -11.393 -1.124 37 1HB TYR 6 2HB TYR 6 1.206 -8.643 -2.254 38 2HB TYR 6 3HB TYR 6 0.227 -9.698 -3.252 39 HD1 TYR 6 HD1 TYR 6 0.468 -7.946 -0.058 40 HD2 TYR 6 HD2 TYR 6 -1.826 -10.753 -2.330 41 HE1 TYR 6 HE1 TYR 6 -1.494 -7.639 1.528 42 HE2 TYR 6 HE2 TYR 6 -3.780 -10.436 -0.736 43 HH TYR 6 HH TYR 6 -4.617 -8.930 0.803 44 H GLU 7 HN GLU 7 1.371 -13.306 -2.170 45 HA GLU 7 HA GLU 7 2.882 -13.524 -4.494 46 1HB GLU 7 2HB GLU 7 0.856 -15.428 -3.242 47 2HB GLU 7 3HB GLU 7 1.926 -15.870 -4.558 48 1HG GLU 7 2HG GLU 7 3.702 -16.138 -3.160 49 2HG GLU 7 3HG GLU 7 3.424 -14.592 -2.383 50 H ASN 8 HN ASN 8 2.368 -13.297 -6.644 51 HA ASN 8 HA ASN 8 -0.446 -13.388 -7.326 52 1HB ASN 8 2HB ASN 8 1.478 -11.082 -7.786 53 2HB ASN 8 3HB ASN 8 0.204 -11.369 -8.956 54 1HD2 ASN 8 1HD ASN 8 1.023 -9.717 -6.252 55 2HD2 ASN 8 2HD ASN 8 -0.533 -9.364 -5.579 56 H LYS 9 HN LYS 9 -0.398 -12.998 -10.019 57 HA LYS 9 HA LYS 9 1.414 -15.076 -10.933 58 1HB LYS 9 2HB LYS 9 -1.045 -15.169 -11.388 59 2HB LYS 9 3HB LYS 9 -0.887 -13.734 -12.380 60 1HG LYS 9 2HG LYS 9 0.956 -16.062 -12.933 61 2HG LYS 9 3HG LYS 9 -0.715 -16.188 -13.445 62 1HD LYS 9 2HD LYS 9 -0.506 -14.521 -15.047 63 2HD LYS 9 3HD LYS 9 0.664 -13.612 -14.111 64 1HE LYS 9 2HE LYS 9 2.465 -15.130 -14.716 65 2HE LYS 9 3HE LYS 9 1.343 -16.293 -15.396 66 1HZ LYS 9 1HZ LYS 9 1.679 -13.566 -16.437 67 2HZ LYS 9 2HZ LYS 9 2.445 -14.874 -17.044 68 3HZ LYS 9 3HZ LYS 9 0.817 -14.774 -17.119 69 H LYS 10 HN LYS 10 0.678 -11.595 -11.361 70 HA LYS 10 HA LYS 10 2.909 -11.429 -13.246 71 1HB LYS 10 2HB LYS 10 0.587 -9.586 -12.645 72 2HB LYS 10 3HB LYS 10 1.963 -9.089 -13.608 73 1HG LYS 10 2HG LYS 10 1.335 -11.535 -14.762 74 2HG LYS 10 3HG LYS 10 -0.250 -10.953 -14.294 75 1HD LYS 10 2HD LYS 10 1.172 -8.726 -15.436 76 2HD LYS 10 3HD LYS 10 1.401 -10.092 -16.509 77 1HE LYS 10 2HE LYS 10 -1.314 -10.281 -15.862 78 2HE LYS 10 3HE LYS 10 -1.060 -8.549 -15.930 79 1HZ LYS 10 1HZ LYS 10 -1.576 -9.825 -18.064 80 2HZ LYS 10 2HZ LYS 10 -0.425 -8.666 -18.112 81 3HZ LYS 10 3HZ LYS 10 0.004 -10.242 -18.051 82 H GLY 11 HN GLY 11 3.863 -12.059 -10.814 83 1HA GLY 11 1HA GLY 11 5.491 -11.328 -9.420 84 2HA GLY 11 2HA GLY 11 5.365 -9.723 -10.110 85 H ASN 12 HN ASN 12 5.456 -10.813 -7.219 86 HA ASN 12 HA ASN 12 2.910 -10.282 -6.154 87 1HB ASN 12 2HB ASN 12 4.263 -10.199 -3.944 88 2HB ASN 12 3HB ASN 12 4.357 -11.695 -4.851 89 1HD2 ASN 12 1HD ASN 12 6.286 -12.514 -5.032 90 2HD2 ASN 12 2HD ASN 12 7.794 -11.665 -5.086 91 H VAL 13 HN VAL 13 2.297 -8.374 -4.847 92 HA VAL 13 HA VAL 13 3.654 -5.969 -5.754 93 HB VAL 13 HB VAL 13 1.295 -6.026 -6.070 94 1HG1 VAL 13 1HG VAL 13 -0.226 -6.166 -3.998 95 2HG1 VAL 13 2HG VAL 13 0.492 -7.678 -4.602 96 3HG1 VAL 13 3HG VAL 13 1.182 -6.874 -3.171 97 1HG2 VAL 13 1HG VAL 13 2.101 -4.251 -3.747 98 2HG2 VAL 13 2HG VAL 13 2.087 -3.849 -5.481 99 3HG2 VAL 13 3HG VAL 13 0.553 -4.101 -4.612 100 H THR 14 HN THR 14 5.610 -6.445 -4.440 101 HA THR 14 HA THR 14 5.803 -6.878 -1.803 102 HB THR 14 HB THR 14 7.320 -5.046 -3.704 103 HG1 THR 14 HG1 THR 14 7.747 -7.551 -2.230 104 1HG2 THR 14 1HG THR 14 9.149 -4.996 -2.016 105 2HG2 THR 14 2HG THR 14 7.708 -4.164 -1.384 106 3HG2 THR 14 3HG THR 14 8.093 -5.814 -0.840 107 H PHE 15 HN PHE 15 4.649 -6.167 -0.126 108 HA PHE 15 HA PHE 15 3.549 -3.508 -0.218 109 1HB PHE 15 2HB PHE 15 3.272 -6.088 1.244 110 2HB PHE 15 3HB PHE 15 3.157 -4.714 2.327 111 HD1 PHE 15 HD1 PHE 15 1.198 -3.400 2.414 112 HD2 PHE 15 HD2 PHE 15 1.681 -6.228 -0.711 113 HE1 PHE 15 HE1 PHE 15 -1.203 -3.080 1.754 114 HE2 PHE 15 HE2 PHE 15 -0.720 -5.909 -1.372 115 HZ PHE 15 HZ PHE 15 -2.132 -4.338 -0.131 116 H ASP 16 HN ASP 16 3.564 -2.688 2.429 117 HA ASP 16 HA ASP 16 6.282 -2.744 3.332 118 1HB ASP 16 2HB ASP 16 4.892 -0.171 2.456 119 2HB ASP 16 3HB ASP 16 6.343 -0.195 3.437 120 H HIS 17 HN HIS 17 5.877 -3.238 5.498 121 HA HIS 17 HA HIS 17 3.586 -1.905 6.740 122 1HB HIS 17 2HB HIS 17 4.420 -4.637 6.678 123 2HB HIS 17 3HB HIS 17 4.582 -4.069 8.328 124 HD1 HIS 17 HD1 HIS 17 2.505 -6.049 8.273 125 HD2 HIS 17 HD2 HIS 17 1.663 -2.131 7.031 126 HE1 HIS 17 HE1 HIS 17 -0.028 -5.777 8.431 127 H LYS 18 HN LYS 18 6.922 -3.155 7.480 128 HA LYS 18 HA LYS 18 7.109 -1.280 9.668 129 1HB LYS 18 2HB LYS 18 7.953 -3.703 9.658 130 2HB LYS 18 3HB LYS 18 9.269 -3.133 8.652 131 1HG LYS 18 2HG LYS 18 8.740 -1.478 11.080 132 2HG LYS 18 3HG LYS 18 9.300 -3.106 11.406 133 1HD LYS 18 2HD LYS 18 11.415 -2.620 10.721 134 2HD LYS 18 3HD LYS 18 10.846 -1.902 9.228 135 1HE LYS 18 2HE LYS 18 11.259 0.173 10.043 136 2HE LYS 18 3HE LYS 18 10.134 -0.103 11.359 137 1HZ LYS 18 1HZ LYS 18 11.918 -0.039 12.636 138 2HZ LYS 18 2HZ LYS 18 12.322 -1.515 12.067 139 3HZ LYS 18 3HZ LYS 18 12.963 -0.175 11.389 140 H ALA 19 HN ALA 19 8.650 -1.878 6.450 141 HA ALA 19 HA ALA 19 10.432 0.255 6.571 142 1HB ALA 19 1HB ALA 19 10.975 -1.059 4.800 143 2HB ALA 19 2HB ALA 19 9.291 -1.577 4.542 144 3HB ALA 19 3HB ALA 19 9.851 -0.014 3.900 145 H HIS 20 HN HIS 20 6.945 0.109 6.070 146 HA HIS 20 HA HIS 20 6.929 2.830 5.058 147 1HB HIS 20 2HB HIS 20 5.112 0.521 4.992 148 2HB HIS 20 3HB HIS 20 4.298 2.033 5.338 149 HD1 HIS 20 HD1 HIS 20 7.316 1.871 3.046 150 HD2 HIS 20 HD2 HIS 20 3.149 2.276 2.801 151 HE1 HIS 20 HE1 HIS 20 6.800 2.498 0.628 152 H ALA 21 HN ALA 21 5.632 0.855 7.810 153 HA ALA 21 HA ALA 21 4.335 2.779 9.207 154 1HB ALA 21 1HB ALA 21 5.211 1.428 11.250 155 2HB ALA 21 2HB ALA 21 4.252 0.570 10.020 156 3HB ALA 21 3HB ALA 21 6.024 0.410 10.038 157 H GLU 22 HN GLU 22 7.887 2.179 9.044 158 HA GLU 22 HA GLU 22 8.689 3.846 11.022 159 1HB GLU 22 2HB GLU 22 10.797 4.134 9.592 160 2HB GLU 22 3HB GLU 22 10.318 2.484 9.936 161 1HG GLU 22 2HG GLU 22 9.968 2.019 7.735 162 2HG GLU 22 3HG GLU 22 9.003 3.464 7.504 163 H LYS 23 HN LYS 23 7.180 4.646 7.960 164 HA LYS 23 HA LYS 23 7.779 7.479 8.462 165 1HB LYS 23 2HB LYS 23 7.471 5.944 5.881 166 2HB LYS 23 3HB LYS 23 7.228 7.678 5.944 167 1HG LYS 23 2HG LYS 23 9.608 7.375 7.359 168 2HG LYS 23 3HG LYS 23 9.744 6.118 6.145 169 1HD LYS 23 2HD LYS 23 10.247 7.662 4.566 170 2HD LYS 23 3HD LYS 23 8.714 8.466 4.834 171 1HE LYS 23 2HE LYS 23 11.170 8.927 6.589 172 2HE LYS 23 3HE LYS 23 10.785 9.922 5.199 173 1HZ LYS 23 1HZ LYS 23 8.508 10.083 6.385 174 2HZ LYS 23 2HZ LYS 23 9.364 9.695 7.720 175 3HZ LYS 23 3HZ LYS 23 9.748 11.032 6.865 176 H LEU 24 HN LEU 24 5.319 5.415 6.748 177 HA LEU 24 HA LEU 24 3.229 7.073 6.763 178 1HB LEU 24 2HB LEU 24 3.371 4.111 7.271 179 2HB LEU 24 3HB LEU 24 1.834 4.949 7.172 180 HG LEU 24 HG LEU 24 2.494 5.754 4.882 181 1HD1 LEU 24 1HD LEU 24 4.843 5.637 4.872 182 2HD1 LEU 24 2HD LEU 24 4.849 3.938 5.400 183 3HD1 LEU 24 3HD LEU 24 4.303 4.358 3.758 184 1HD2 LEU 24 1HD LEU 24 1.865 3.735 3.776 185 2HD2 LEU 24 2HD LEU 24 2.447 2.738 5.132 186 3HD2 LEU 24 3HD LEU 24 1.018 3.779 5.341 187 H GLY 25 HN GLY 25 3.426 4.617 9.421 188 1HA GLY 25 1HA GLY 25 3.617 5.472 11.712 189 2HA GLY 25 2HA GLY 25 2.493 6.739 11.264 190 H CYS 26 HN CYS 26 1.717 3.834 9.611 191 HA CYS 26 HA CYS 26 0.259 2.206 9.937 192 1HB CYS 26 2HB CYS 26 -0.351 2.850 12.778 193 2HB CYS 26 3HB CYS 26 -0.194 1.298 11.982 194 H ASP 27 HN ASP 27 -0.713 4.951 12.137 195 HA ASP 27 HA ASP 27 -3.340 4.897 11.813 196 1HB ASP 27 2HB ASP 27 -3.355 7.308 12.248 197 2HB ASP 27 3HB ASP 27 -2.073 6.561 13.179 198 H ALA 28 HN ALA 28 -0.880 5.781 9.416 199 HA ALA 28 HA ALA 28 -2.330 7.331 7.662 200 1HB ALA 28 1HB ALA 28 -0.375 7.196 6.563 201 2HB ALA 28 2HB ALA 28 0.170 6.006 7.770 202 3HB ALA 28 3HB ALA 28 -0.612 5.457 6.268 203 H CYS 29 HN CYS 29 -2.240 3.758 8.102 204 HA CYS 29 HA CYS 29 -4.305 3.559 6.044 205 1HB CYS 29 2HB CYS 29 -2.867 1.224 7.280 206 2HB CYS 29 3HB CYS 29 -3.731 1.304 5.758 207 H HIS 30 HN HIS 30 -3.358 2.247 9.311 208 HA HIS 30 HA HIS 30 -6.115 1.584 9.827 209 1HB HIS 30 2HB HIS 30 -3.743 1.325 11.689 210 2HB HIS 30 3HB HIS 30 -5.293 0.515 11.814 211 HD1 HIS 30 HD1 HIS 30 -5.685 -1.588 10.358 212 HD2 HIS 30 HD2 HIS 30 -1.978 0.265 9.704 213 HE1 HIS 30 HE1 HIS 30 -4.304 -3.222 8.966 214 H GLU 31 HN GLU 31 -6.555 2.121 12.458 215 HA GLU 31 HA GLU 31 -5.712 4.544 13.404 216 1HB GLU 31 2HB GLU 31 -7.152 5.117 11.179 217 2HB GLU 31 3HB GLU 31 -8.471 5.039 12.331 218 1HG GLU 31 2HG GLU 31 -7.423 6.735 13.753 219 2HG GLU 31 3HG GLU 31 -5.955 6.704 12.798 220 H GLY 32 HN GLY 32 -5.872 3.686 15.460 221 1HA GLY 32 1HA GLY 32 -7.003 3.350 17.417 222 2HA GLY 32 2HA GLY 32 -8.532 3.389 16.562 223 H THR 33 HN THR 33 -5.578 1.355 17.057 224 HA THR 33 HA THR 33 -5.324 -0.847 17.246 225 HB THR 33 HB THR 33 -8.370 -0.874 17.583 226 HG1 THR 33 HG1 THR 33 -7.807 -0.316 19.709 227 1HG2 THR 33 1HG THR 33 -6.854 -3.102 17.337 228 2HG2 THR 33 2HG THR 33 -6.449 -2.703 19.023 229 3HG2 THR 33 3HG THR 33 -8.143 -2.991 18.559 230 HA PRO 34 HA PRO 34 -5.967 -1.711 13.001 231 1HB PRO 34 2HB PRO 34 -3.655 -3.119 12.629 232 2HB PRO 34 3HB PRO 34 -3.759 -1.380 12.442 233 1HG PRO 34 2HG PRO 34 -2.573 -2.940 14.657 234 2HG PRO 34 3HG PRO 34 -2.319 -1.256 14.241 235 1HD PRO 34 2HD PRO 34 -3.942 -2.271 16.376 236 2HD PRO 34 3HD PRO 34 -3.780 -0.595 15.888 237 H ALA 35 HN ALA 35 -6.695 -3.448 11.742 238 HA ALA 35 HA ALA 35 -6.681 -5.996 13.162 239 1HB ALA 35 1HB ALA 35 -8.887 -5.991 13.606 240 2HB ALA 35 2HB ALA 35 -8.895 -4.260 13.192 241 3HB ALA 35 3HB ALA 35 -9.279 -5.474 11.948 242 H LYS 36 HN LYS 36 -7.542 -4.092 10.208 243 HA LYS 36 HA LYS 36 -6.031 -5.697 8.522 244 1HB LYS 36 2HB LYS 36 -7.455 -7.219 7.552 245 2HB LYS 36 3HB LYS 36 -7.981 -7.287 9.223 246 1HG LYS 36 2HG LYS 36 -10.072 -6.826 8.462 247 2HG LYS 36 3HG LYS 36 -9.514 -5.189 8.184 248 1HD LYS 36 2HD LYS 36 -9.906 -5.498 5.972 249 2HD LYS 36 3HD LYS 36 -8.570 -6.632 5.943 250 1HE LYS 36 2HE LYS 36 -9.969 -8.410 5.697 251 2HE LYS 36 3HE LYS 36 -10.956 -7.910 7.058 252 1HZ LYS 36 1HZ LYS 36 -11.261 -7.256 4.252 253 2HZ LYS 36 2HZ LYS 36 -12.398 -7.650 5.355 254 3HZ LYS 36 3HZ LYS 36 -11.756 -6.148 5.344 255 H ILE 37 HN ILE 37 -7.122 -5.340 6.077 256 HA ILE 37 HA ILE 37 -8.226 -2.650 5.998 257 HB ILE 37 HB ILE 37 -5.631 -3.432 4.667 258 1HG1 ILE 37 2HG ILE 37 -6.319 -1.720 7.036 259 2HG1 ILE 37 3HG ILE 37 -5.052 -2.917 6.858 260 1HG2 ILE 37 1HG ILE 37 -7.039 -2.077 3.184 261 2HG2 ILE 37 2HG ILE 37 -7.200 -0.847 4.461 262 3HG2 ILE 37 3HG ILE 37 -5.607 -1.179 3.740 263 1HD1 ILE 37 1HD ILE 37 -5.150 -0.108 5.699 264 2HD1 ILE 37 2HD ILE 37 -3.917 -0.824 6.765 265 3HD1 ILE 37 3HD ILE 37 -4.032 -1.339 5.065 266 H ALA 38 HN ALA 38 -9.096 -2.116 3.824 267 HA ALA 38 HA ALA 38 -10.105 -4.556 2.598 268 1HB ALA 38 1HB ALA 38 -11.921 -3.279 1.944 269 2HB ALA 38 2HB ALA 38 -11.427 -2.390 3.405 270 3HB ALA 38 3HB ALA 38 -10.959 -1.789 1.796 271 H ILE 39 HN ILE 39 -7.986 -5.107 1.624 272 HA ILE 39 HA ILE 39 -7.299 -3.335 -0.606 273 HB ILE 39 HB ILE 39 -5.738 -5.378 0.956 274 1HG1 ILE 39 2HG ILE 39 -5.890 -3.115 1.898 275 2HG1 ILE 39 3HG ILE 39 -4.254 -3.521 1.422 276 1HG2 ILE 39 1HG ILE 39 -5.480 -4.782 -1.845 277 2HG2 ILE 39 2HG ILE 39 -4.049 -4.194 -0.966 278 3HG2 ILE 39 3HG ILE 39 -4.537 -5.900 -0.831 279 1HD1 ILE 39 1HD ILE 39 -4.805 -2.353 -0.840 280 2HD1 ILE 39 2HD ILE 39 -6.215 -1.680 0.012 281 3HD1 ILE 39 3HD ILE 39 -4.572 -1.317 0.589 282 H ASP 40 HN ASP 40 -7.405 -4.050 -2.724 283 HA ASP 40 HA ASP 40 -7.392 -6.606 -3.570 284 1HB ASP 40 2HB ASP 40 -10.044 -6.635 -4.116 285 2HB ASP 40 3HB ASP 40 -9.365 -7.411 -2.700 286 H LYS 41 HN LYS 41 -8.134 -6.731 -5.929 287 HA LYS 41 HA LYS 41 -7.394 -4.660 -7.442 288 1HB LYS 41 2HB LYS 41 -8.018 -7.016 -8.143 289 2HB LYS 41 3HB LYS 41 -9.688 -6.489 -8.196 290 1HG LYS 41 2HG LYS 41 -9.313 -5.011 -10.002 291 2HG LYS 41 3HG LYS 41 -7.600 -4.858 -9.659 292 1HD LYS 41 2HD LYS 41 -7.156 -7.118 -10.475 293 2HD LYS 41 3HD LYS 41 -8.868 -7.469 -10.603 294 1HE LYS 41 2HE LYS 41 -9.155 -6.077 -12.497 295 2HE LYS 41 3HE LYS 41 -7.737 -5.113 -12.135 296 1HZ LYS 41 1HZ LYS 41 -7.222 -6.554 -13.906 297 2HZ LYS 41 2HZ LYS 41 -6.414 -7.127 -12.608 298 3HZ LYS 41 3HZ LYS 41 -7.771 -7.877 -13.123 299 H LYS 42 HN LYS 42 -8.182 -2.716 -8.201 300 HA LYS 42 HA LYS 42 -9.728 -1.131 -8.639 301 1HB LYS 42 2HB LYS 42 -11.468 -3.065 -8.432 302 2HB LYS 42 3HB LYS 42 -11.772 -2.410 -6.836 303 1HG LYS 42 2HG LYS 42 -12.233 -0.169 -7.830 304 2HG LYS 42 3HG LYS 42 -11.894 -0.798 -9.431 305 1HD LYS 42 2HD LYS 42 -13.760 -2.530 -9.010 306 2HD LYS 42 3HD LYS 42 -14.177 -1.608 -7.578 307 1HE LYS 42 2HE LYS 42 -13.875 0.069 -10.010 308 2HE LYS 42 3HE LYS 42 -15.153 -1.125 -10.142 309 1HZ LYS 42 1HZ LYS 42 -15.602 1.142 -9.043 310 2HZ LYS 42 2HZ LYS 42 -16.282 -0.203 -8.412 311 3HZ LYS 42 3HZ LYS 42 -14.962 0.453 -7.707 312 H SER 43 HN SER 43 -10.381 -2.270 -5.247 313 HA SER 43 HA SER 43 -10.337 0.272 -4.198 314 1HB SER 43 2HB SER 43 -9.857 -2.469 -2.976 315 2HB SER 43 3HB SER 43 -9.835 -1.018 -1.993 316 HG SER 43 HG SER 43 -11.989 -2.421 -2.942 317 H ALA 44 HN ALA 44 -7.768 -2.310 -4.008 318 HA ALA 44 HA ALA 44 -5.834 -0.684 -2.852 319 1HB ALA 44 1HB ALA 44 -5.803 -3.227 -4.490 320 2HB ALA 44 2HB ALA 44 -4.286 -2.470 -3.948 321 3HB ALA 44 3HB ALA 44 -5.489 -3.008 -2.752 322 H HIS 45 HN HIS 45 -7.213 -0.658 -6.030 323 HA HIS 45 HA HIS 45 -4.862 0.679 -7.112 324 1HB HIS 45 2HB HIS 45 -7.278 -0.643 -8.321 325 2HB HIS 45 3HB HIS 45 -6.378 0.542 -9.247 326 HD1 HIS 45 HD1 HIS 45 -5.967 -1.699 -10.793 327 HD2 HIS 45 HD2 HIS 45 -3.951 -1.508 -7.119 328 HE1 HIS 45 HE1 HIS 45 -4.071 -3.401 -10.928 329 H LYS 46 HN LYS 46 -7.520 1.445 -5.285 330 HA LYS 46 HA LYS 46 -8.001 3.956 -6.716 331 1HB LYS 46 2HB LYS 46 -9.766 2.108 -5.602 332 2HB LYS 46 3HB LYS 46 -9.722 3.401 -4.421 333 1HG LYS 46 2HG LYS 46 -10.669 4.949 -5.861 334 2HG LYS 46 3HG LYS 46 -9.881 4.281 -7.277 335 1HD LYS 46 2HD LYS 46 -11.485 2.212 -6.882 336 2HD LYS 46 3HD LYS 46 -12.413 3.331 -5.903 337 1HE LYS 46 2HE LYS 46 -12.940 4.723 -7.740 338 2HE LYS 46 3HE LYS 46 -11.560 4.189 -8.677 339 1HZ LYS 46 1HZ LYS 46 -14.139 3.140 -8.654 340 2HZ LYS 46 2HZ LYS 46 -12.884 2.721 -9.610 341 3HZ LYS 46 3HZ LYS 46 -13.109 1.965 -8.179 342 H ASP 47 HN ASP 47 -8.993 5.316 -4.318 343 HA ASP 47 HA ASP 47 -6.817 6.670 -3.580 344 1HB ASP 47 2HB ASP 47 -9.101 5.979 -1.676 345 2HB ASP 47 3HB ASP 47 -8.085 7.405 -1.598 346 H ALA 48 HN ALA 48 -7.860 3.455 -2.547 347 HA ALA 48 HA ALA 48 -6.844 3.067 -0.103 348 1HB ALA 48 1HB ALA 48 -6.608 0.766 -0.706 349 2HB ALA 48 2HB ALA 48 -7.918 1.409 -1.726 350 3HB ALA 48 3HB ALA 48 -6.293 1.171 -2.411 351 H CYS 49 HN CYS 49 -4.832 2.433 -3.068 352 HA CYS 49 HA CYS 49 -2.489 2.935 -1.425 353 1HB CYS 49 2HB CYS 49 -2.876 1.653 -4.128 354 2HB CYS 49 3HB CYS 49 -1.292 2.078 -3.510 355 H LYS 50 HN LYS 50 -3.512 3.641 -4.854 356 HA LYS 50 HA LYS 50 -1.817 5.780 -5.220 357 1HB LYS 50 2HB LYS 50 -4.458 5.032 -6.485 358 2HB LYS 50 3HB LYS 50 -3.533 6.422 -7.015 359 1HG LYS 50 2HG LYS 50 -1.595 4.407 -6.888 360 2HG LYS 50 3HG LYS 50 -3.011 3.542 -7.450 361 1HD LYS 50 2HD LYS 50 -2.199 6.183 -8.718 362 2HD LYS 50 3HD LYS 50 -1.454 4.680 -9.224 363 1HE LYS 50 2HE LYS 50 -3.222 4.596 -10.691 364 2HE LYS 50 3HE LYS 50 -4.076 3.920 -9.318 365 1HZ LYS 50 1HZ LYS 50 -5.416 5.642 -9.482 366 2HZ LYS 50 2HZ LYS 50 -4.206 6.627 -9.001 367 3HZ LYS 50 3HZ LYS 50 -4.479 6.389 -10.592 368 H THR 51 HN THR 51 -1.634 7.407 -3.740 369 HA THR 51 HA THR 51 -3.353 9.495 -3.648 370 HB THR 51 HB THR 51 -4.279 7.205 -1.969 371 HG1 THR 51 HG1 THR 51 -6.205 8.756 -2.272 372 1HG2 THR 51 1HG THR 51 -3.738 8.485 -0.036 373 2HG2 THR 51 2HG THR 51 -3.944 10.031 -0.896 374 3HG2 THR 51 3HG THR 51 -5.371 9.068 -0.441 375 H CYS 52 HN CYS 52 -1.702 7.463 -1.129 376 HA CYS 52 HA CYS 52 -0.623 9.635 0.206 377 1HB CYS 52 2HB CYS 52 -0.728 6.964 0.642 378 2HB CYS 52 3HB CYS 52 0.955 7.129 0.181 379 H HIS 53 HN HIS 53 0.788 7.425 -2.318 380 HA HIS 53 HA HIS 53 3.243 8.671 -2.490 381 1HB HIS 53 2HB HIS 53 1.777 7.335 -4.773 382 2HB HIS 53 3HB HIS 53 3.509 7.500 -4.571 383 HD1 HIS 53 HD1 HIS 53 0.970 5.043 -4.238 384 HD2 HIS 53 HD2 HIS 53 4.294 6.113 -1.913 385 HE1 HIS 53 HE1 HIS 53 1.491 3.026 -2.763 386 H LYS 54 HN LYS 54 0.116 9.371 -4.133 387 HA LYS 54 HA LYS 54 0.997 11.194 -5.982 388 1HB LYS 54 2HB LYS 54 -1.582 10.901 -4.445 389 2HB LYS 54 3HB LYS 54 -1.363 12.202 -5.597 390 1HG LYS 54 2HG LYS 54 -0.419 9.980 -7.007 391 2HG LYS 54 3HG LYS 54 -1.746 9.306 -6.081 392 1HD LYS 54 2HD LYS 54 -3.307 10.969 -6.976 393 2HD LYS 54 3HD LYS 54 -2.003 11.852 -7.746 394 1HE LYS 54 2HE LYS 54 -1.733 10.264 -9.449 395 2HE LYS 54 3HE LYS 54 -2.316 8.940 -8.459 396 1HZ LYS 54 1HZ LYS 54 -3.820 10.864 -9.990 397 2HZ LYS 54 2HZ LYS 54 -4.125 9.284 -9.716 398 3HZ LYS 54 3HZ LYS 54 -4.485 10.395 -8.574 399 H SER 55 HN SER 55 0.708 11.479 -2.460 400 HA SER 55 HA SER 55 0.590 14.174 -2.186 401 1HB SER 55 2HB SER 55 0.522 12.464 -0.343 402 2HB SER 55 3HB SER 55 2.254 12.250 -0.502 403 HG SER 55 HG SER 55 2.124 13.757 1.094 404 H ASN 56 HN ASN 56 3.650 12.191 -2.075 405 HA ASN 56 HA ASN 56 5.046 14.594 -2.919 406 1HB ASN 56 2HB ASN 56 5.708 12.254 -1.195 407 2HB ASN 56 3HB ASN 56 7.001 12.703 -2.288 408 1HD2 ASN 56 1HD ASN 56 4.993 13.670 0.380 409 2HD2 ASN 56 2HD ASN 56 5.891 15.062 0.885 410 H ASN 57 HN ASN 57 5.740 11.030 -3.194 411 HA ASN 57 HA ASN 57 5.309 10.985 -5.966 412 1HB ASN 57 2HB ASN 57 7.665 10.627 -6.691 413 2HB ASN 57 3HB ASN 57 7.476 12.222 -5.990 414 1HD2 ASN 57 1HD ASN 57 9.745 10.242 -6.264 415 2HD2 ASN 57 2HD ASN 57 10.448 10.120 -4.686 416 H GLY 58 HN GLY 58 5.918 8.732 -6.836 417 1HA GLY 58 1HA GLY 58 7.060 6.683 -5.446 418 2HA GLY 58 2HA GLY 58 5.423 6.740 -4.826 419 HA PRO 59 HA PRO 59 5.211 4.294 -8.620 420 1HB PRO 59 2HB PRO 59 3.848 2.163 -7.584 421 2HB PRO 59 3HB PRO 59 5.595 2.218 -7.699 422 1HG PRO 59 2HG PRO 59 3.886 2.542 -5.310 423 2HG PRO 59 3HG PRO 59 5.596 2.171 -5.394 424 1HD PRO 59 2HD PRO 59 4.418 4.705 -4.745 425 2HD PRO 59 3HD PRO 59 6.125 4.363 -4.942 426 H THR 60 HN THR 60 3.937 6.278 -9.119 427 HA THR 60 HA THR 60 1.126 6.027 -8.540 428 HB THR 60 HB THR 60 2.880 7.980 -10.106 429 HG1 THR 60 HG1 THR 60 2.763 8.956 -8.109 430 1HG2 THR 60 1HG THR 60 0.636 8.060 -11.142 431 2HG2 THR 60 2HG THR 60 -0.130 8.055 -9.534 432 3HG2 THR 60 3HG THR 60 0.828 9.461 -10.061 433 H LYS 61 HN LYS 61 3.290 5.605 -11.388 434 HA LYS 61 HA LYS 61 0.966 4.682 -12.894 435 1HB LYS 61 2HB LYS 61 2.040 5.340 -14.773 436 2HB LYS 61 3HB LYS 61 2.887 6.387 -13.652 437 1HG LYS 61 2HG LYS 61 4.530 4.315 -13.386 438 2HG LYS 61 3HG LYS 61 3.840 3.803 -14.913 439 1HD LYS 61 2HD LYS 61 5.169 5.262 -16.024 440 2HD LYS 61 3HD LYS 61 4.441 6.604 -15.162 441 1HE LYS 61 2HE LYS 61 6.043 6.307 -13.287 442 2HE LYS 61 3HE LYS 61 6.739 4.906 -14.077 443 1HZ LYS 61 1HZ LYS 61 6.646 7.237 -15.723 444 2HZ LYS 61 2HZ LYS 61 7.591 7.406 -14.402 445 3HZ LYS 61 3HZ LYS 61 7.876 6.196 -15.460 446 H CYS 62 HN CYS 62 2.058 2.837 -14.615 447 HA CYS 62 HA CYS 62 2.080 0.553 -13.020 448 1HB CYS 62 2HB CYS 62 1.889 1.164 -15.756 449 2HB CYS 62 3HB CYS 62 3.282 0.112 -15.614 450 H GLY 63 HN GLY 63 4.098 -1.137 -13.715 451 1HA GLY 63 1HA GLY 63 6.184 -1.696 -13.066 452 2HA GLY 63 2HA GLY 63 6.670 -0.305 -14.017 453 H GLY 64 HN GLY 64 4.576 0.032 -11.150 454 1HA GLY 64 1HA GLY 64 6.781 1.461 -9.808 455 2HA GLY 64 2HA GLY 64 5.070 1.767 -9.593 456 H CYS 65 HN CYS 65 3.758 -0.322 -8.851 457 HA CYS 65 HA CYS 65 5.012 -1.134 -6.420 458 1HB CYS 65 2HB CYS 65 2.438 -2.328 -7.341 459 2HB CYS 65 3HB CYS 65 2.943 -1.845 -5.734 460 H HIS 66 HN HIS 66 3.428 -2.946 -9.164 461 HA HIS 66 HA HIS 66 4.473 -5.406 -8.489 462 1HB HIS 66 2HB HIS 66 3.655 -4.325 -11.200 463 2HB HIS 66 3HB HIS 66 3.943 -6.017 -10.848 464 HD1 HIS 66 HD1 HIS 66 2.253 -7.162 -9.076 465 HD2 HIS 66 HD2 HIS 66 1.132 -3.391 -10.532 466 HE1 HIS 66 HE1 HIS 66 -0.227 -6.896 -8.538 467 H ILE 67 HN ILE 67 6.130 -6.707 -9.723 468 HA ILE 67 HA ILE 67 8.339 -4.969 -10.575 469 HB ILE 67 HB ILE 67 8.431 -7.430 -8.833 470 1HG1 ILE 67 2HG ILE 67 9.435 -4.636 -8.248 471 2HG1 ILE 67 3HG ILE 67 7.828 -5.182 -7.811 472 1HG2 ILE 67 1HG ILE 67 10.993 -6.436 -8.932 473 2HG2 ILE 67 2HG ILE 67 10.392 -7.864 -9.808 474 3HG2 ILE 67 3HG ILE 67 10.448 -6.280 -10.619 475 1HD1 ILE 67 1HD ILE 67 9.287 -5.515 -5.893 476 2HD1 ILE 67 2HD ILE 67 8.883 -7.117 -6.556 477 3HD1 ILE 67 3HD ILE 67 10.473 -6.391 -6.890 478 H LYS 68 HN LYS 68 8.299 -5.165 -12.772 479 HA LYS 68 HA LYS 68 7.778 -7.807 -13.880 480 1HB LYS 68 2HB LYS 68 6.469 -6.044 -14.836 481 2HB LYS 68 3HB LYS 68 7.878 -5.032 -15.084 482 1HG LYS 68 2HG LYS 68 8.754 -7.088 -16.528 483 2HG LYS 68 3HG LYS 68 7.060 -7.536 -16.579 484 1HD LYS 68 2HD LYS 68 6.474 -5.740 -17.915 485 2HD LYS 68 3HD LYS 68 7.635 -4.661 -17.168 486 1HE LYS 68 2HE LYS 68 9.445 -5.483 -18.488 487 2HE LYS 68 3HE LYS 68 8.599 -6.961 -18.900 488 1HZ LYS 68 1HZ LYS 68 6.946 -5.308 -19.969 489 2HZ LYS 68 2HZ LYS 68 8.225 -4.292 -19.980 490 3HZ LYS 68 3HZ LYS 68 8.312 -5.722 -20.763 491 HHA HEC 98 HGM HEC 98 -3.990 -5.885 7.929 492 HHB HEC 98 HDM HEC 98 -1.278 -3.695 13.108 493 HHC HEC 98 HAM HEC 98 1.753 0.600 9.576 494 HHD HEC 98 HBM HEC 98 -1.396 -1.421 4.594 495 1HMA HEC 98 1HM HEC 98 -3.552 -6.657 13.128 496 2HMA HEC 98 2HM HEC 98 -1.801 -6.956 13.014 497 3HMA HEC 98 3HM HEC 98 -2.400 -5.431 13.709 498 1HAA HEC 98 1HA HEC 98 -4.082 -7.805 11.118 499 2HAA HEC 98 2HA HEC 98 -4.799 -7.039 9.681 500 1HBA HEC 98 3HB HEC 98 -3.757 -8.786 8.552 501 2HBA HEC 98 4HB HEC 98 -2.320 -7.746 8.682 502 1HMB HEC 98 1HM HEC 98 -0.227 -0.649 14.570 503 2HMB HEC 98 2HM HEC 98 -0.678 -2.365 14.438 504 3HMB HEC 98 3HM HEC 98 1.031 -1.905 14.631 505 HAB HEC 98 HT2 HEC 98 2.212 1.026 11.504 506 1HBB HEC 98 1HT HEC 98 3.979 0.602 13.177 507 2HBB HEC 98 2HT HEC 98 3.328 -1.051 13.290 508 3HBB HEC 98 3HT HEC 98 3.911 -0.428 11.728 509 1HMC HEC 98 1HM HEC 98 2.920 1.591 6.667 510 2HMC HEC 98 2HM HEC 98 1.607 2.751 6.980 511 3HMC HEC 98 3HM HEC 98 2.370 1.885 8.333 512 HAC HEC 98 HT4 HEC 98 -0.988 1.257 4.589 513 1HBC HEC 98 1HT HEC 98 -0.037 -0.589 3.363 514 2HBC HEC 98 2HT HEC 98 0.564 0.910 2.616 515 3HBC HEC 98 3HT HEC 98 1.621 -0.033 3.693 516 1HMD HEC 98 1HM HEC 98 -2.385 -2.270 3.136 517 2HMD HEC 98 2HM HEC 98 -2.923 -3.942 2.857 518 3HMD HEC 98 3HM HEC 98 -4.107 -2.690 3.298 519 1HAD HEC 98 1HA HEC 98 -4.503 -6.274 5.760 520 2HAD HEC 98 2HA HEC 98 -4.882 -5.242 4.361 521 1HBD HEC 98 3HB HEC 98 -3.001 -5.985 3.169 522 2HBD HEC 98 4HB HEC 98 -2.260 -6.703 4.620 523 HHA HEC 128 HGM HEC 128 7.988 4.132 -1.875 524 HHB HEC 128 HDM HEC 128 3.826 -0.185 -3.608 525 HHC HEC 128 HAM HEC 128 -0.180 2.087 0.741 526 HHD HEC 128 HBM HEC 128 3.918 6.606 2.010 527 1HMA HEC 128 1HM HEC 128 6.238 -0.032 -5.294 528 2HMA HEC 128 2HM HEC 128 7.628 -0.523 -4.297 529 3HMA HEC 128 3HM HEC 128 6.002 -1.143 -3.926 530 1HAA HEC 128 1HA HEC 128 8.919 1.410 -4.149 531 2HAA HEC 128 2HA HEC 128 8.908 3.015 -3.380 532 1HBA HEC 128 3HB HEC 128 9.033 1.459 -1.131 533 2HBA HEC 128 4HB HEC 128 9.855 0.370 -2.273 534 1HMB HEC 128 1HM HEC 128 1.610 -1.907 -3.231 535 2HMB HEC 128 2HM HEC 128 0.156 -0.984 -3.681 536 3HMB HEC 128 3HM HEC 128 1.733 -0.568 -4.396 537 HAB HEC 128 HT2 HEC 128 -1.259 0.738 -0.418 538 1HBB HEC 128 1HT HEC 128 0.094 -1.129 0.708 539 2HBB HEC 128 2HT HEC 128 -1.685 -1.111 0.656 540 3HBB HEC 128 3HT HEC 128 -0.772 -2.147 -0.467 541 1HMC HEC 128 1HM HEC 128 -1.551 4.512 1.894 542 2HMC HEC 128 2HM HEC 128 -1.030 2.879 2.371 543 3HMC HEC 128 3HM HEC 128 -0.832 4.241 3.498 544 HAC HEC 128 HT4 HEC 128 2.061 7.062 3.141 545 1HBC HEC 128 1HT HEC 128 0.539 5.582 4.648 546 2HBC HEC 128 2HT HEC 128 0.339 7.349 4.723 547 3HBC HEC 128 3HT HEC 128 -0.813 6.361 3.793 548 1HMD HEC 128 1HM HEC 128 5.994 7.550 2.716 549 2HMD HEC 128 2HM HEC 128 7.249 8.138 1.600 550 3HMD HEC 128 3HM HEC 128 5.540 8.537 1.306 551 1HAD HEC 128 1HA HEC 128 8.981 5.990 -0.876 552 2HAD HEC 128 2HA HEC 128 8.582 7.382 0.159 553 1HBD HEC 128 3HB HEC 128 8.951 6.028 2.146 554 2HBD HEC 128 4HB HEC 128 9.311 4.612 1.127 555 HHA HEC 158 HGM HEC 158 -3.199 -7.415 -7.052 556 HHB HEC 158 HDM HEC 158 -2.132 -6.145 -13.071 557 HHC HEC 158 HAM HEC 158 -0.485 -0.256 -11.425 558 HHD HEC 158 HBM HEC 158 -1.158 -1.846 -5.439 559 1HMA HEC 158 1HM HEC 158 -4.296 -7.849 -12.812 560 2HMA HEC 158 2HM HEC 158 -2.696 -8.624 -12.740 561 3HMA HEC 158 3HM HEC 158 -4.059 -9.311 -11.826 562 1HAA HEC 158 1HA HEC 158 -3.997 -8.889 -7.937 563 2HAA HEC 158 2HA HEC 158 -5.292 -8.873 -9.157 564 1HBA HEC 158 3HB HEC 158 -2.871 -9.966 -10.364 565 2HBA HEC 158 4HB HEC 158 -3.203 -10.839 -8.850 566 1HMB HEC 158 1HM HEC 158 -0.181 -5.195 -14.680 567 2HMB HEC 158 2HM HEC 158 -1.888 -4.901 -15.089 568 3HMB HEC 158 3HM HEC 158 -0.644 -3.716 -15.555 569 HAB HEC 158 HT2 HEC 158 0.557 -0.982 -13.815 570 1HBB HEC 158 1HT HEC 158 -1.898 -0.036 -12.928 571 2HBB HEC 158 2HT HEC 158 -0.426 0.837 -13.417 572 3HBB HEC 158 3HT HEC 158 -1.682 0.466 -14.622 573 1HMC HEC 158 1HM HEC 158 1.198 1.485 -9.651 574 2HMC HEC 158 2HM HEC 158 -0.331 1.553 -10.561 575 3HMC HEC 158 3HM HEC 158 -0.222 2.295 -8.947 576 HAC HEC 158 HT4 HEC 158 0.139 -0.110 -5.518 577 1HBC HEC 158 1HT HEC 158 -0.715 2.413 -6.969 578 2HBC HEC 158 2HT HEC 158 -1.454 1.640 -5.546 579 3HBC HEC 158 3HT HEC 158 0.109 2.477 -5.393 580 1HMD HEC 158 1HM HEC 158 -0.830 -3.893 -3.186 581 2HMD HEC 158 2HM HEC 158 -1.807 -2.467 -3.608 582 3HMD HEC 158 3HM HEC 158 -2.591 -3.911 -2.923 583 1HAD HEC 158 1HA HEC 158 -3.186 -5.841 -3.329 584 2HAD HEC 158 2HA HEC 158 -4.353 -6.347 -4.574 585 1HBD HEC 158 3HB HEC 158 -1.961 -7.702 -5.155 586 2HBD HEC 158 4HB HEC 158 -2.185 -7.812 -3.393 Start of MODEL 7 1 H ALA 1 HN ALA 1 3.648 -6.521 10.397 2 HA ALA 1 HA ALA 1 5.145 -8.741 11.602 3 1HB ALA 1 1HB ALA 1 3.430 -8.529 9.314 4 2HB ALA 1 2HB ALA 1 5.082 -8.857 8.738 5 3HB ALA 1 3HB ALA 1 4.312 -9.956 9.908 6 H ASP 2 HN ASP 2 5.508 -6.755 8.587 7 HA ASP 2 HA ASP 2 7.472 -5.128 9.240 8 1HB ASP 2 2HB ASP 2 8.468 -7.890 9.332 9 2HB ASP 2 3HB ASP 2 9.356 -6.945 8.153 10 H VAL 3 HN VAL 3 6.367 -7.716 7.041 11 HA VAL 3 HA VAL 3 6.145 -5.968 4.859 12 HB VAL 3 HB VAL 3 8.588 -6.159 4.853 13 1HG1 VAL 3 1HG VAL 3 9.751 -8.207 4.529 14 2HG1 VAL 3 2HG VAL 3 8.606 -8.492 5.862 15 3HG1 VAL 3 3HG VAL 3 8.243 -9.104 4.230 16 1HG2 VAL 3 1HG VAL 3 6.879 -7.124 2.618 17 2HG2 VAL 3 2HG VAL 3 7.988 -5.735 2.702 18 3HG2 VAL 3 3HG VAL 3 8.632 -7.374 2.446 19 H VAL 4 HN VAL 4 4.513 -6.772 3.620 20 HA VAL 4 HA VAL 4 4.020 -9.660 3.855 21 HB VAL 4 HB VAL 4 1.993 -7.440 3.525 22 1HG1 VAL 4 1HG VAL 4 1.567 -9.859 2.640 23 2HG1 VAL 4 2HG VAL 4 1.385 -10.268 4.364 24 3HG1 VAL 4 3HG VAL 4 0.319 -9.051 3.621 25 1HG2 VAL 4 1HG VAL 4 1.708 -7.305 5.765 26 2HG2 VAL 4 2HG VAL 4 2.022 -9.039 6.018 27 3HG2 VAL 4 3HG VAL 4 3.382 -7.908 5.816 28 H THR 5 HN THR 5 5.701 -9.473 1.977 29 HA THR 5 HA THR 5 4.737 -8.390 -0.480 30 HB THR 5 HB THR 5 7.034 -10.250 0.314 31 HG1 THR 5 HG1 THR 5 8.131 -8.162 -0.074 32 1HG2 THR 5 1HG THR 5 8.001 -9.663 -1.908 33 2HG2 THR 5 2HG THR 5 6.480 -10.566 -2.115 34 3HG2 THR 5 3HG THR 5 6.504 -8.800 -2.334 35 H TYR 6 HN TYR 6 3.093 -9.156 -1.638 36 HA TYR 6 HA TYR 6 2.486 -12.006 -1.397 37 1HB TYR 6 2HB TYR 6 1.113 -9.462 -2.444 38 2HB TYR 6 3HB TYR 6 0.411 -11.042 -2.726 39 HD1 TYR 6 HD1 TYR 6 0.418 -12.526 -0.373 40 HD2 TYR 6 HD2 TYR 6 0.132 -8.272 -0.723 41 HE1 TYR 6 HE1 TYR 6 -0.736 -12.410 1.890 42 HE2 TYR 6 HE2 TYR 6 -1.020 -8.170 1.541 43 HH TYR 6 HH TYR 6 -2.513 -10.047 2.885 44 H GLU 7 HN GLU 7 3.148 -13.399 -2.947 45 HA GLU 7 HA GLU 7 4.130 -12.271 -5.401 46 1HB GLU 7 2HB GLU 7 4.158 -15.126 -4.329 47 2HB GLU 7 3HB GLU 7 4.914 -14.628 -5.829 48 1HG GLU 7 2HG GLU 7 6.770 -14.177 -4.596 49 2HG GLU 7 3HG GLU 7 5.917 -12.762 -4.011 50 H ASN 8 HN ASN 8 2.815 -12.020 -7.150 51 HA ASN 8 HA ASN 8 0.563 -13.864 -7.326 52 1HB ASN 8 2HB ASN 8 -0.567 -12.045 -8.659 53 2HB ASN 8 3HB ASN 8 -0.190 -11.536 -7.024 54 1HD2 ASN 8 1HD ASN 8 0.298 -9.479 -7.071 55 2HD2 ASN 8 2HD ASN 8 1.403 -8.689 -8.146 56 H LYS 9 HN LYS 9 -0.205 -13.426 -9.986 57 HA LYS 9 HA LYS 9 2.000 -14.632 -11.399 58 1HB LYS 9 2HB LYS 9 -0.852 -14.737 -11.509 59 2HB LYS 9 3HB LYS 9 -0.282 -14.171 -13.066 60 1HG LYS 9 2HG LYS 9 0.845 -16.145 -13.539 61 2HG LYS 9 3HG LYS 9 1.251 -16.448 -11.862 62 1HD LYS 9 2HD LYS 9 -0.384 -18.051 -12.015 63 2HD LYS 9 3HD LYS 9 -1.466 -16.706 -11.714 64 1HE LYS 9 2HE LYS 9 -1.177 -16.473 -14.433 65 2HE LYS 9 3HE LYS 9 -0.958 -18.203 -14.256 66 1HZ LYS 9 1HZ LYS 9 -3.263 -17.613 -14.532 67 2HZ LYS 9 2HZ LYS 9 -3.034 -18.295 -13.066 68 3HZ LYS 9 3HZ LYS 9 -3.236 -16.680 -13.193 69 H LYS 10 HN LYS 10 0.180 -11.553 -11.296 70 HA LYS 10 HA LYS 10 1.677 -10.564 -13.573 71 1HB LYS 10 2HB LYS 10 -0.720 -9.692 -12.022 72 2HB LYS 10 3HB LYS 10 0.232 -8.446 -12.804 73 1HG LYS 10 2HG LYS 10 0.083 -10.345 -14.815 74 2HG LYS 10 3HG LYS 10 -1.459 -10.578 -14.016 75 1HD LYS 10 2HD LYS 10 -0.766 -7.721 -14.407 76 2HD LYS 10 3HD LYS 10 -0.901 -8.610 -15.911 77 1HE LYS 10 2HE LYS 10 -3.070 -9.236 -13.987 78 2HE LYS 10 3HE LYS 10 -3.037 -7.551 -14.463 79 1HZ LYS 10 1HZ LYS 10 -2.666 -8.818 -16.787 80 2HZ LYS 10 2HZ LYS 10 -3.677 -9.848 -16.022 81 3HZ LYS 10 3HZ LYS 10 -4.111 -8.289 -16.240 82 H GLY 11 HN GLY 11 3.510 -11.284 -11.732 83 1HA GLY 11 1HA GLY 11 5.424 -10.179 -11.027 84 2HA GLY 11 2HA GLY 11 4.523 -8.688 -10.843 85 H ASN 12 HN ASN 12 4.405 -8.054 -8.739 86 HA ASN 12 HA ASN 12 3.146 -9.563 -6.832 87 1HB ASN 12 2HB ASN 12 5.071 -10.101 -5.293 88 2HB ASN 12 3HB ASN 12 5.133 -11.022 -6.783 89 1HD2 ASN 12 1HD ASN 12 6.709 -8.834 -4.734 90 2HD2 ASN 12 2HD ASN 12 8.102 -8.478 -5.700 91 H VAL 13 HN VAL 13 3.075 -8.331 -4.739 92 HA VAL 13 HA VAL 13 4.099 -5.601 -5.090 93 HB VAL 13 HB VAL 13 1.807 -5.418 -5.056 94 1HG1 VAL 13 1HG VAL 13 1.154 -7.687 -4.691 95 2HG1 VAL 13 2HG VAL 13 1.772 -7.665 -3.022 96 3HG1 VAL 13 3HG VAL 13 0.336 -6.704 -3.452 97 1HG2 VAL 13 1HG VAL 13 1.502 -4.027 -3.311 98 2HG2 VAL 13 2HG VAL 13 1.842 -5.296 -2.110 99 3HG2 VAL 13 3HG VAL 13 3.186 -4.434 -2.897 100 H THR 14 HN THR 14 5.875 -5.174 -3.893 101 HA THR 14 HA THR 14 6.498 -6.862 -1.635 102 HB THR 14 HB THR 14 7.865 -4.550 -3.096 103 HG1 THR 14 HG1 THR 14 7.642 -6.853 -3.928 104 1HG2 THR 14 1HG THR 14 9.839 -5.816 -1.657 105 2HG2 THR 14 2HG THR 14 9.069 -4.301 -1.130 106 3HG2 THR 14 3HG THR 14 8.506 -5.860 -0.479 107 H PHE 15 HN PHE 15 4.115 -5.809 -0.982 108 HA PHE 15 HA PHE 15 3.937 -3.347 0.114 109 1HB PHE 15 2HB PHE 15 2.166 -5.147 -0.002 110 2HB PHE 15 3HB PHE 15 3.025 -6.075 1.210 111 HD1 PHE 15 HD1 PHE 15 2.779 -5.598 3.528 112 HD2 PHE 15 HD2 PHE 15 1.078 -2.993 0.642 113 HE1 PHE 15 HE1 PHE 15 1.477 -4.443 5.337 114 HE2 PHE 15 HE2 PHE 15 -0.225 -1.840 2.450 115 HZ PHE 15 HZ PHE 15 -0.010 -2.579 4.776 116 H ASP 16 HN ASP 16 3.833 -2.800 2.566 117 HA ASP 16 HA ASP 16 5.886 -4.176 4.047 118 1HB ASP 16 2HB ASP 16 5.950 -1.221 3.308 119 2HB ASP 16 3HB ASP 16 6.818 -1.836 4.700 120 H HIS 17 HN HIS 17 5.633 -3.799 6.386 121 HA HIS 17 HA HIS 17 3.137 -2.405 7.030 122 1HB HIS 17 2HB HIS 17 3.676 -5.072 7.365 123 2HB HIS 17 3HB HIS 17 4.126 -4.433 8.933 124 HD1 HIS 17 HD1 HIS 17 2.154 -5.246 10.305 125 HD2 HIS 17 HD2 HIS 17 0.991 -3.137 6.871 126 HE1 HIS 17 HE1 HIS 17 -0.368 -4.905 10.497 127 H LYS 18 HN LYS 18 6.362 -3.408 8.371 128 HA LYS 18 HA LYS 18 6.219 -1.239 10.275 129 1HB LYS 18 2HB LYS 18 7.158 -3.679 10.589 130 2HB LYS 18 3HB LYS 18 8.617 -3.007 9.889 131 1HG LYS 18 2HG LYS 18 8.996 -1.566 11.688 132 2HG LYS 18 3HG LYS 18 7.292 -1.413 12.070 133 1HD LYS 18 2HD LYS 18 7.287 -3.773 12.933 134 2HD LYS 18 3HD LYS 18 8.999 -3.896 12.580 135 1HE LYS 18 2HE LYS 18 9.609 -2.410 14.302 136 2HE LYS 18 3HE LYS 18 8.062 -1.590 14.292 137 1HZ LYS 18 1HZ LYS 18 8.846 -3.713 15.880 138 2HZ LYS 18 2HZ LYS 18 7.407 -2.942 15.879 139 3HZ LYS 18 3HZ LYS 18 7.631 -4.255 14.934 140 H ALA 19 HN ALA 19 8.132 -2.221 7.371 141 HA ALA 19 HA ALA 19 9.891 -0.074 7.401 142 1HB ALA 19 1HB ALA 19 9.635 -2.315 5.943 143 2HB ALA 19 2HB ALA 19 8.910 -1.166 4.792 144 3HB ALA 19 3HB ALA 19 10.574 -0.915 5.372 145 H HIS 20 HN HIS 20 6.480 -0.337 6.471 146 HA HIS 20 HA HIS 20 6.554 2.205 5.116 147 1HB HIS 20 2HB HIS 20 4.710 -0.065 5.352 148 2HB HIS 20 3HB HIS 20 3.895 1.485 5.430 149 HD1 HIS 20 HD1 HIS 20 6.977 0.846 3.289 150 HD2 HIS 20 HD2 HIS 20 2.848 1.446 2.856 151 HE1 HIS 20 HE1 HIS 20 6.553 1.119 0.788 152 H ALA 21 HN ALA 21 5.029 0.766 8.080 153 HA ALA 21 HA ALA 21 3.720 2.883 9.077 154 1HB ALA 21 1HB ALA 21 3.566 0.999 10.398 155 2HB ALA 21 2HB ALA 21 5.305 0.638 10.277 156 3HB ALA 21 3HB ALA 21 4.737 1.929 11.363 157 H GLU 22 HN GLU 22 7.225 2.520 8.702 158 HA GLU 22 HA GLU 22 8.179 4.274 10.501 159 1HB GLU 22 2HB GLU 22 9.048 3.907 7.601 160 2HB GLU 22 3HB GLU 22 10.008 4.730 8.814 161 1HG GLU 22 2HG GLU 22 9.134 2.171 9.878 162 2HG GLU 22 3HG GLU 22 9.860 1.913 8.305 163 H LYS 23 HN LYS 23 7.129 5.117 7.116 164 HA LYS 23 HA LYS 23 7.114 7.917 7.874 165 1HB LYS 23 2HB LYS 23 6.750 6.478 5.233 166 2HB LYS 23 3HB LYS 23 6.567 8.211 5.418 167 1HG LYS 23 2HG LYS 23 9.048 7.241 6.675 168 2HG LYS 23 3HG LYS 23 8.978 6.821 4.976 169 1HD LYS 23 2HD LYS 23 8.682 9.134 4.316 170 2HD LYS 23 3HD LYS 23 8.367 9.638 5.964 171 1HE LYS 23 2HE LYS 23 10.605 9.665 6.535 172 2HE LYS 23 3HE LYS 23 10.982 8.255 5.565 173 1HZ LYS 23 1HZ LYS 23 11.413 9.519 3.792 174 2HZ LYS 23 2HZ LYS 23 10.215 10.591 4.080 175 3HZ LYS 23 3HZ LYS 23 11.633 10.716 4.881 176 H LEU 24 HN LEU 24 4.858 5.335 6.721 177 HA LEU 24 HA LEU 24 2.570 6.822 6.566 178 1HB LEU 24 2HB LEU 24 3.179 3.966 7.197 179 2HB LEU 24 3HB LEU 24 1.533 4.538 7.385 180 HG LEU 24 HG LEU 24 2.174 5.485 4.881 181 1HD1 LEU 24 1HD LEU 24 4.131 3.510 5.477 182 2HD1 LEU 24 2HD LEU 24 3.018 2.829 4.267 183 3HD1 LEU 24 3HD LEU 24 3.846 4.372 3.946 184 1HD2 LEU 24 1HD LEU 24 0.225 3.988 5.965 185 2HD2 LEU 24 2HD LEU 24 0.426 4.214 4.212 186 3HD2 LEU 24 3HD LEU 24 1.047 2.741 4.995 187 H GLY 25 HN GLY 25 2.831 4.572 9.350 188 1HA GLY 25 1HA GLY 25 3.123 5.561 11.592 189 2HA GLY 25 2HA GLY 25 2.005 6.816 11.095 190 H CYS 26 HN CYS 26 1.103 3.892 9.592 191 HA CYS 26 HA CYS 26 -0.297 2.239 10.115 192 1HB CYS 26 2HB CYS 26 -0.909 3.302 12.849 193 2HB CYS 26 3HB CYS 26 -0.943 1.651 12.261 194 H ASP 27 HN ASP 27 -1.456 5.097 12.063 195 HA ASP 27 HA ASP 27 -4.036 5.001 11.523 196 1HB ASP 27 2HB ASP 27 -2.219 6.956 12.435 197 2HB ASP 27 3HB ASP 27 -3.048 7.748 11.110 198 H ALA 28 HN ALA 28 -1.403 5.836 9.289 199 HA ALA 28 HA ALA 28 -2.687 7.271 7.349 200 1HB ALA 28 1HB ALA 28 -0.312 5.570 7.607 201 2HB ALA 28 2HB ALA 28 -0.998 5.536 5.965 202 3HB ALA 28 3HB ALA 28 -0.533 7.088 6.703 203 H CYS 29 HN CYS 29 -2.690 3.711 7.933 204 HA CYS 29 HA CYS 29 -4.683 3.488 5.804 205 1HB CYS 29 2HB CYS 29 -3.371 1.116 7.072 206 2HB CYS 29 3HB CYS 29 -4.061 1.287 5.470 207 H HIS 30 HN HIS 30 -3.814 2.280 9.129 208 HA HIS 30 HA HIS 30 -6.545 1.515 9.583 209 1HB HIS 30 2HB HIS 30 -4.216 1.518 11.519 210 2HB HIS 30 3HB HIS 30 -5.739 0.669 11.701 211 HD1 HIS 30 HD1 HIS 30 -6.025 -1.579 10.469 212 HD2 HIS 30 HD2 HIS 30 -2.411 0.368 9.606 213 HE1 HIS 30 HE1 HIS 30 -4.579 -3.274 9.225 214 H GLU 31 HN GLU 31 -7.167 2.188 12.134 215 HA GLU 31 HA GLU 31 -6.562 4.907 12.650 216 1HB GLU 31 2HB GLU 31 -8.345 4.944 10.776 217 2HB GLU 31 3HB GLU 31 -9.466 4.313 11.966 218 1HG GLU 31 2HG GLU 31 -8.401 6.381 13.406 219 2HG GLU 31 3HG GLU 31 -8.211 7.028 11.789 220 H GLY 32 HN GLY 32 -6.295 4.820 14.835 221 1HA GLY 32 1HA GLY 32 -6.516 4.114 16.969 222 2HA GLY 32 2HA GLY 32 -8.218 4.430 16.697 223 H THR 33 HN THR 33 -5.688 1.954 16.874 224 HA THR 33 HA THR 33 -5.795 -0.239 17.241 225 HB THR 33 HB THR 33 -8.813 0.165 17.582 226 HG1 THR 33 HG1 THR 33 -7.940 1.503 19.143 227 1HG2 THR 33 1HG THR 33 -6.895 -2.040 18.117 228 2HG2 THR 33 2HG THR 33 -7.833 -1.553 19.549 229 3HG2 THR 33 3HG THR 33 -8.674 -2.080 18.072 230 HA PRO 34 HA PRO 34 -6.673 -1.249 13.069 231 1HB PRO 34 2HB PRO 34 -4.620 -3.026 12.756 232 2HB PRO 34 3HB PRO 34 -4.454 -1.306 12.457 233 1HG PRO 34 2HG PRO 34 -3.472 -2.893 14.749 234 2HG PRO 34 3HG PRO 34 -2.968 -1.300 14.221 235 1HD PRO 34 2HD PRO 34 -4.675 -1.910 16.443 236 2HD PRO 34 3HD PRO 34 -4.265 -0.315 15.843 237 H ALA 35 HN ALA 35 -6.274 -3.782 12.013 238 HA ALA 35 HA ALA 35 -7.126 -5.832 13.645 239 1HB ALA 35 1HB ALA 35 -9.266 -3.964 12.839 240 2HB ALA 35 2HB ALA 35 -9.601 -5.664 12.432 241 3HB ALA 35 3HB ALA 35 -9.252 -5.204 14.116 242 H LYS 36 HN LYS 36 -8.031 -4.378 10.432 243 HA LYS 36 HA LYS 36 -6.355 -6.039 8.971 244 1HB LYS 36 2HB LYS 36 -7.636 -7.816 8.224 245 2HB LYS 36 3HB LYS 36 -8.060 -7.739 9.922 246 1HG LYS 36 2HG LYS 36 -10.236 -7.540 9.317 247 2HG LYS 36 3HG LYS 36 -9.867 -5.961 8.655 248 1HD LYS 36 2HD LYS 36 -10.703 -6.985 6.743 249 2HD LYS 36 3HD LYS 36 -9.006 -7.380 6.559 250 1HE LYS 36 2HE LYS 36 -9.635 -9.563 6.468 251 2HE LYS 36 3HE LYS 36 -9.957 -9.456 8.187 252 1HZ LYS 36 1HZ LYS 36 -12.027 -8.457 6.451 253 2HZ LYS 36 2HZ LYS 36 -11.795 -10.073 6.427 254 3HZ LYS 36 3HZ LYS 36 -12.151 -9.321 7.832 255 H ILE 37 HN ILE 37 -7.132 -6.020 6.523 256 HA ILE 37 HA ILE 37 -8.792 -3.690 6.008 257 HB ILE 37 HB ILE 37 -5.963 -3.926 4.977 258 1HG1 ILE 37 2HG ILE 37 -7.165 -2.308 7.219 259 2HG1 ILE 37 3HG ILE 37 -5.733 -3.319 7.236 260 1HG2 ILE 37 1HG ILE 37 -8.016 -1.724 4.619 261 2HG2 ILE 37 2HG ILE 37 -6.344 -1.726 4.008 262 3HG2 ILE 37 3HG ILE 37 -7.523 -2.902 3.380 263 1HD1 ILE 37 1HD ILE 37 -5.048 -0.971 7.181 264 2HD1 ILE 37 2HD ILE 37 -4.624 -1.728 5.626 265 3HD1 ILE 37 3HD ILE 37 -6.056 -0.676 5.743 266 H ALA 38 HN ALA 38 -9.416 -3.556 3.680 267 HA ALA 38 HA ALA 38 -9.502 -6.269 2.573 268 1HB ALA 38 1HB ALA 38 -11.271 -3.871 1.953 269 2HB ALA 38 2HB ALA 38 -11.543 -5.565 1.481 270 3HB ALA 38 3HB ALA 38 -11.646 -5.092 3.194 271 H ILE 39 HN ILE 39 -7.547 -6.363 1.428 272 HA ILE 39 HA ILE 39 -7.358 -4.404 -0.752 273 HB ILE 39 HB ILE 39 -5.169 -5.572 0.959 274 1HG1 ILE 39 2HG ILE 39 -6.456 -3.523 1.730 275 2HG1 ILE 39 3HG ILE 39 -4.714 -3.366 1.633 276 1HG2 ILE 39 1HG ILE 39 -5.080 -4.892 -1.837 277 2HG2 ILE 39 2HG ILE 39 -4.062 -3.770 -0.901 278 3HG2 ILE 39 3HG ILE 39 -3.795 -5.526 -0.780 279 1HD1 ILE 39 1HD ILE 39 -6.037 -2.681 -0.914 280 2HD1 ILE 39 2HD ILE 39 -6.568 -1.657 0.442 281 3HD1 ILE 39 3HD ILE 39 -4.840 -1.758 0.027 282 H ASP 40 HN ASP 40 -6.954 -5.222 -2.810 283 HA ASP 40 HA ASP 40 -6.059 -7.840 -3.194 284 1HB ASP 40 2HB ASP 40 -8.266 -8.568 -2.538 285 2HB ASP 40 3HB ASP 40 -9.041 -7.291 -3.455 286 H LYS 41 HN LYS 41 -8.485 -5.507 -4.620 287 HA LYS 41 HA LYS 41 -6.759 -4.447 -6.513 288 1HB LYS 41 2HB LYS 41 -6.666 -6.649 -7.521 289 2HB LYS 41 3HB LYS 41 -8.415 -6.763 -7.554 290 1HG LYS 41 2HG LYS 41 -7.639 -4.286 -8.838 291 2HG LYS 41 3HG LYS 41 -6.678 -5.583 -9.519 292 1HD LYS 41 2HD LYS 41 -8.853 -6.908 -9.820 293 2HD LYS 41 3HD LYS 41 -9.723 -5.459 -9.354 294 1HE LYS 41 2HE LYS 41 -9.114 -4.289 -11.303 295 2HE LYS 41 3HE LYS 41 -7.657 -5.233 -11.546 296 1HZ LYS 41 1HZ LYS 41 -10.297 -5.756 -12.443 297 2HZ LYS 41 2HZ LYS 41 -8.879 -6.355 -12.988 298 3HZ LYS 41 3HZ LYS 41 -9.628 -7.059 -11.718 299 H LYS 42 HN LYS 42 -8.125 -2.909 -5.089 300 HA LYS 42 HA LYS 42 -10.113 -1.805 -6.766 301 1HB LYS 42 2HB LYS 42 -11.428 -3.669 -5.782 302 2HB LYS 42 3HB LYS 42 -11.113 -3.033 -4.180 303 1HG LYS 42 2HG LYS 42 -12.113 -0.929 -5.967 304 2HG LYS 42 3HG LYS 42 -13.220 -2.287 -5.914 305 1HD LYS 42 2HD LYS 42 -12.921 -2.170 -3.312 306 2HD LYS 42 3HD LYS 42 -12.236 -0.584 -3.597 307 1HE LYS 42 2HE LYS 42 -14.714 -0.893 -5.117 308 2HE LYS 42 3HE LYS 42 -14.995 -1.262 -3.427 309 1HZ LYS 42 1HZ LYS 42 -13.540 0.902 -3.182 310 2HZ LYS 42 2HZ LYS 42 -14.206 1.230 -4.636 311 3HZ LYS 42 3HZ LYS 42 -15.164 0.956 -3.342 312 H SER 43 HN SER 43 -9.812 -1.878 -3.157 313 HA SER 43 HA SER 43 -9.738 0.907 -3.046 314 1HB SER 43 2HB SER 43 -9.604 -1.364 -1.169 315 2HB SER 43 3HB SER 43 -8.639 -0.001 -0.637 316 HG SER 43 HG SER 43 -11.408 0.200 -1.465 317 H ALA 44 HN ALA 44 -7.194 -1.655 -2.675 318 HA ALA 44 HA ALA 44 -5.070 0.036 -2.122 319 1HB ALA 44 1HB ALA 44 -5.545 -2.742 -2.843 320 2HB ALA 44 2HB ALA 44 -4.078 -2.125 -3.640 321 3HB ALA 44 3HB ALA 44 -4.233 -2.035 -1.869 322 H HIS 45 HN HIS 45 -6.969 -0.327 -5.003 323 HA HIS 45 HA HIS 45 -4.822 0.779 -6.634 324 1HB HIS 45 2HB HIS 45 -7.479 -0.502 -7.290 325 2HB HIS 45 3HB HIS 45 -6.547 0.373 -8.489 326 HD1 HIS 45 HD1 HIS 45 -6.064 -2.568 -6.077 327 HD2 HIS 45 HD2 HIS 45 -4.680 -1.160 -9.778 328 HE1 HIS 45 HE1 HIS 45 -4.545 -4.392 -7.012 329 H LYS 46 HN LYS 46 -7.065 1.898 -4.494 330 HA LYS 46 HA LYS 46 -7.685 4.241 -6.151 331 1HB LYS 46 2HB LYS 46 -9.356 2.573 -4.554 332 2HB LYS 46 3HB LYS 46 -9.265 4.132 -3.759 333 1HG LYS 46 2HG LYS 46 -10.264 5.264 -5.535 334 2HG LYS 46 3HG LYS 46 -9.627 4.164 -6.742 335 1HD LYS 46 2HD LYS 46 -11.301 2.523 -6.321 336 2HD LYS 46 3HD LYS 46 -11.686 3.181 -4.743 337 1HE LYS 46 2HE LYS 46 -13.201 4.651 -5.609 338 2HE LYS 46 3HE LYS 46 -12.094 5.182 -6.859 339 1HZ LYS 46 1HZ LYS 46 -13.379 4.045 -8.225 340 2HZ LYS 46 2HZ LYS 46 -12.778 2.666 -7.589 341 3HZ LYS 46 3HZ LYS 46 -14.180 3.285 -7.024 342 H ASP 47 HN ASP 47 -8.363 5.978 -3.994 343 HA ASP 47 HA ASP 47 -6.126 7.265 -3.514 344 1HB ASP 47 2HB ASP 47 -8.183 6.843 -1.302 345 2HB ASP 47 3HB ASP 47 -7.185 8.261 -1.552 346 H ALA 48 HN ALA 48 -7.216 4.250 -1.965 347 HA ALA 48 HA ALA 48 -5.895 4.096 0.355 348 1HB ALA 48 1HB ALA 48 -5.669 1.824 -1.622 349 2HB ALA 48 2HB ALA 48 -6.042 1.772 0.117 350 3HB ALA 48 3HB ALA 48 -7.267 2.348 -1.039 351 H CYS 49 HN CYS 49 -4.418 3.388 -2.892 352 HA CYS 49 HA CYS 49 -1.838 4.001 -1.644 353 1HB CYS 49 2HB CYS 49 -2.107 2.093 -3.950 354 2HB CYS 49 3HB CYS 49 -0.759 2.315 -2.854 355 H LYS 50 HN LYS 50 -3.814 3.832 -4.683 356 HA LYS 50 HA LYS 50 -2.294 5.078 -6.473 357 1HB LYS 50 2HB LYS 50 -5.131 4.774 -5.999 358 2HB LYS 50 3HB LYS 50 -4.809 6.336 -6.726 359 1HG LYS 50 2HG LYS 50 -3.576 3.772 -7.817 360 2HG LYS 50 3HG LYS 50 -5.152 4.333 -8.335 361 1HD LYS 50 2HD LYS 50 -4.142 6.510 -9.051 362 2HD LYS 50 3HD LYS 50 -2.566 5.947 -8.534 363 1HE LYS 50 2HE LYS 50 -2.339 4.476 -10.325 364 2HE LYS 50 3HE LYS 50 -4.058 4.153 -10.423 365 1HZ LYS 50 1HZ LYS 50 -3.561 5.458 -12.253 366 2HZ LYS 50 2HZ LYS 50 -4.239 6.520 -11.214 367 3HZ LYS 50 3HZ LYS 50 -2.619 6.498 -11.417 368 H THR 51 HN THR 51 -4.307 6.839 -4.013 369 HA THR 51 HA THR 51 -3.203 9.360 -4.707 370 HB THR 51 HB THR 51 -4.841 8.258 -2.374 371 HG1 THR 51 HG1 THR 51 -5.503 8.658 -4.784 372 1HG2 THR 51 1HG THR 51 -4.699 11.203 -2.967 373 2HG2 THR 51 2HG THR 51 -5.000 10.378 -1.420 374 3HG2 THR 51 3HG THR 51 -3.341 10.512 -2.049 375 H CYS 52 HN CYS 52 -2.688 7.213 -1.824 376 HA CYS 52 HA CYS 52 -0.528 8.825 -0.948 377 1HB CYS 52 2HB CYS 52 -2.128 7.245 0.382 378 2HB CYS 52 3HB CYS 52 -0.974 5.998 -0.046 379 H HIS 53 HN HIS 53 1.129 8.952 -2.503 380 HA HIS 53 HA HIS 53 3.085 7.161 -2.616 381 1HB HIS 53 2HB HIS 53 0.834 6.189 -4.226 382 2HB HIS 53 3HB HIS 53 2.328 6.290 -5.135 383 HD1 HIS 53 HD1 HIS 53 2.483 3.680 -5.243 384 HD2 HIS 53 HD2 HIS 53 2.598 5.269 -1.363 385 HE1 HIS 53 HE1 HIS 53 3.252 1.785 -3.718 386 H LYS 54 HN LYS 54 0.976 9.323 -4.527 387 HA LYS 54 HA LYS 54 3.351 10.326 -5.911 388 1HB LYS 54 2HB LYS 54 1.670 11.450 -7.391 389 2HB LYS 54 3HB LYS 54 1.641 9.699 -7.440 390 1HG LYS 54 2HG LYS 54 -0.367 9.561 -6.176 391 2HG LYS 54 3HG LYS 54 -0.175 11.171 -5.510 392 1HD LYS 54 2HD LYS 54 -0.760 12.222 -7.604 393 2HD LYS 54 3HD LYS 54 -0.583 10.724 -8.494 394 1HE LYS 54 2HE LYS 54 -2.579 10.741 -6.242 395 2HE LYS 54 3HE LYS 54 -2.995 11.656 -7.677 396 1HZ LYS 54 1HZ LYS 54 -3.715 9.637 -8.296 397 2HZ LYS 54 2HZ LYS 54 -2.173 9.444 -8.794 398 3HZ LYS 54 3HZ LYS 54 -2.656 8.808 -7.370 399 H SER 55 HN SER 55 3.762 11.063 -3.475 400 HA SER 55 HA SER 55 2.616 13.741 -3.313 401 1HB SER 55 2HB SER 55 2.088 11.820 -1.484 402 2HB SER 55 3HB SER 55 3.609 12.386 -0.821 403 HG SER 55 HG SER 55 1.106 13.633 -0.869 404 H ASN 56 HN ASN 56 5.395 11.582 -2.430 405 HA ASN 56 HA ASN 56 7.070 13.961 -2.467 406 1HB ASN 56 2HB ASN 56 6.970 11.583 -0.774 407 2HB ASN 56 3HB ASN 56 8.544 11.676 -1.539 408 1HD2 ASN 56 1HD ASN 56 9.299 14.124 -1.695 409 2HD2 ASN 56 2HD ASN 56 9.305 14.973 -0.185 410 H ASN 57 HN ASN 57 7.228 10.382 -3.186 411 HA ASN 57 HA ASN 57 8.046 10.873 -5.838 412 1HB ASN 57 2HB ASN 57 10.279 9.562 -5.498 413 2HB ASN 57 3HB ASN 57 10.262 11.247 -5.020 414 1HD2 ASN 57 1HD ASN 57 11.102 11.682 -3.141 415 2HD2 ASN 57 2HD ASN 57 11.196 10.642 -1.759 416 H GLY 58 HN GLY 58 7.182 9.109 -6.954 417 1HA GLY 58 1HA GLY 58 7.570 6.432 -6.284 418 2HA GLY 58 2HA GLY 58 6.040 6.919 -5.582 419 HA PRO 59 HA PRO 59 5.667 6.147 -10.169 420 1HB PRO 59 2HB PRO 59 5.004 3.499 -10.294 421 2HB PRO 59 3HB PRO 59 6.626 4.095 -10.583 422 1HG PRO 59 2HG PRO 59 5.564 2.695 -8.207 423 2HG PRO 59 3HG PRO 59 7.232 2.917 -8.697 424 1HD PRO 59 2HD PRO 59 5.847 4.344 -6.629 425 2HD PRO 59 3HD PRO 59 7.477 4.643 -7.198 426 H THR 60 HN THR 60 3.790 6.557 -11.240 427 HA THR 60 HA THR 60 1.364 5.624 -9.929 428 HB THR 60 HB THR 60 1.728 7.769 -8.820 429 HG1 THR 60 HG1 THR 60 -0.432 7.535 -9.564 430 1HG2 THR 60 1HG THR 60 1.647 9.810 -10.580 431 2HG2 THR 60 2HG THR 60 3.199 9.121 -10.050 432 3HG2 THR 60 3HG THR 60 2.498 8.635 -11.611 433 H LYS 61 HN LYS 61 3.093 5.334 -12.512 434 HA LYS 61 HA LYS 61 1.347 6.370 -14.525 435 1HB LYS 61 2HB LYS 61 3.000 5.833 -15.969 436 2HB LYS 61 3HB LYS 61 3.963 5.773 -14.507 437 1HG LYS 61 2HG LYS 61 3.327 3.270 -14.352 438 2HG LYS 61 3HG LYS 61 2.693 3.425 -15.978 439 1HD LYS 61 2HD LYS 61 4.773 3.356 -16.894 440 2HD LYS 61 3HD LYS 61 5.365 4.606 -15.818 441 1HE LYS 61 2HE LYS 61 5.079 2.360 -14.138 442 2HE LYS 61 3HE LYS 61 5.687 1.684 -15.636 443 1HZ LYS 61 1HZ LYS 61 7.643 2.388 -14.931 444 2HZ LYS 61 2HZ LYS 61 7.168 3.911 -15.280 445 3HZ LYS 61 3HZ LYS 61 7.013 3.336 -13.760 446 H CYS 62 HN CYS 62 1.664 3.420 -12.604 447 HA CYS 62 HA CYS 62 -0.882 2.560 -13.299 448 1HB CYS 62 2HB CYS 62 -0.015 1.995 -15.466 449 2HB CYS 62 3HB CYS 62 1.344 1.139 -14.765 450 H GLY 63 HN GLY 63 1.440 -0.044 -13.234 451 1HA GLY 63 1HA GLY 63 0.650 -1.036 -10.765 452 2HA GLY 63 2HA GLY 63 2.114 -1.462 -11.629 453 H GLY 64 HN GLY 64 3.983 0.213 -11.474 454 1HA GLY 64 1HA GLY 64 5.392 1.466 -10.242 455 2HA GLY 64 2HA GLY 64 4.023 2.055 -9.321 456 H CYS 65 HN CYS 65 2.959 0.014 -7.950 457 HA CYS 65 HA CYS 65 5.139 -0.745 -6.217 458 1HB CYS 65 2HB CYS 65 3.188 -1.632 -4.806 459 2HB CYS 65 3HB CYS 65 3.399 0.101 -4.969 460 H HIS 66 HN HIS 66 3.789 -1.918 -9.024 461 HA HIS 66 HA HIS 66 3.766 -4.694 -8.152 462 1HB HIS 66 2HB HIS 66 2.704 -3.202 -10.526 463 2HB HIS 66 3HB HIS 66 3.064 -4.908 -10.696 464 HD1 HIS 66 HD1 HIS 66 1.497 -6.599 -9.531 465 HD2 HIS 66 HD2 HIS 66 0.555 -2.591 -8.731 466 HE1 HIS 66 HE1 HIS 66 -0.791 -6.615 -8.402 467 H ILE 67 HN ILE 67 5.258 -6.231 -8.879 468 HA ILE 67 HA ILE 67 7.598 -5.061 -10.192 469 HB ILE 67 HB ILE 67 7.204 -7.376 -8.318 470 1HG1 ILE 67 2HG ILE 67 9.363 -5.955 -7.457 471 2HG1 ILE 67 3HG ILE 67 8.427 -4.681 -8.215 472 1HG2 ILE 67 1HG ILE 67 9.925 -7.275 -8.898 473 2HG2 ILE 67 2HG ILE 67 8.771 -8.540 -9.383 474 3HG2 ILE 67 3HG ILE 67 9.129 -7.191 -10.488 475 1HD1 ILE 67 1HD ILE 67 6.451 -5.252 -6.870 476 2HD1 ILE 67 2HD ILE 67 7.301 -6.651 -6.172 477 3HD1 ILE 67 3HD ILE 67 7.848 -5.000 -5.796 478 H LYS 68 HN LYS 68 6.950 -5.135 -12.367 479 HA LYS 68 HA LYS 68 7.377 -7.575 -13.660 480 1HB LYS 68 2HB LYS 68 5.184 -8.198 -12.779 481 2HB LYS 68 3HB LYS 68 4.463 -6.755 -13.464 482 1HG LYS 68 2HG LYS 68 4.768 -7.513 -15.707 483 2HG LYS 68 3HG LYS 68 5.973 -8.697 -15.244 484 1HD LYS 68 2HD LYS 68 3.640 -9.372 -13.756 485 2HD LYS 68 3HD LYS 68 3.068 -8.982 -15.367 486 1HE LYS 68 2HE LYS 68 5.427 -10.540 -15.749 487 2HE LYS 68 3HE LYS 68 4.540 -11.337 -14.465 488 1HZ LYS 68 1HZ LYS 68 2.661 -11.506 -15.835 489 2HZ LYS 68 2HZ LYS 68 3.265 -10.498 -16.970 490 3HZ LYS 68 3HZ LYS 68 3.919 -11.979 -16.763 491 HHA HEC 98 HGM HEC 98 -4.360 -6.136 8.311 492 HHB HEC 98 HDM HEC 98 -1.782 -3.491 13.344 493 HHC HEC 98 HAM HEC 98 1.146 0.640 9.541 494 HHD HEC 98 HBM HEC 98 -1.876 -1.836 4.688 495 1HMA HEC 98 1HM HEC 98 -4.029 -6.151 13.694 496 2HMA HEC 98 2HM HEC 98 -2.501 -7.008 13.385 497 3HMA HEC 98 3HM HEC 98 -2.476 -5.344 14.013 498 1HAA HEC 98 1HA HEC 98 -4.477 -7.794 11.629 499 2HAA HEC 98 2HA HEC 98 -5.124 -7.199 10.082 500 1HBA HEC 98 3HB HEC 98 -3.981 -9.043 9.223 501 2HBA HEC 98 4HB HEC 98 -2.591 -7.932 9.284 502 1HMB HEC 98 1HM HEC 98 -1.179 -0.490 14.560 503 2HMB HEC 98 2HM HEC 98 -0.925 -2.250 14.618 504 3HMB HEC 98 3HM HEC 98 0.464 -1.147 14.750 505 HAB HEC 98 HT2 HEC 98 1.630 1.171 11.423 506 1HBB HEC 98 1HT HEC 98 2.723 -0.097 13.848 507 2HBB HEC 98 2HT HEC 98 3.050 -0.740 12.222 508 3HBB HEC 98 3HT HEC 98 3.482 0.940 12.617 509 1HMC HEC 98 1HM HEC 98 2.044 1.598 8.079 510 2HMC HEC 98 2HM HEC 98 2.079 1.674 6.301 511 3HMC HEC 98 3HM HEC 98 0.885 2.631 7.209 512 HAC HEC 98 HT4 HEC 98 -1.294 0.200 4.150 513 1HBC HEC 98 1HT HEC 98 0.777 -0.301 3.217 514 2HBC HEC 98 2HT HEC 98 0.732 1.467 3.009 515 3HBC HEC 98 3HT HEC 98 1.664 0.751 4.346 516 1HMD HEC 98 1HM HEC 98 -2.581 -3.214 3.199 517 2HMD HEC 98 2HM HEC 98 -3.765 -4.542 3.185 518 3HMD HEC 98 3HM HEC 98 -4.304 -2.873 3.486 519 1HAD HEC 98 1HA HEC 98 -4.648 -6.801 6.161 520 2HAD HEC 98 2HA HEC 98 -5.352 -5.792 4.876 521 1HBD HEC 98 3HB HEC 98 -2.784 -6.199 3.986 522 2HBD HEC 98 4HB HEC 98 -3.190 -7.747 4.765 523 HHA HEC 128 HGM HEC 128 7.767 3.132 -1.201 524 HHB HEC 128 HDM HEC 128 3.430 -1.015 -2.923 525 HHC HEC 128 HAM HEC 128 -0.708 1.894 0.889 526 HHD HEC 128 HBM HEC 128 3.616 6.205 2.129 527 1HMA HEC 128 1HM HEC 128 7.236 -1.411 -3.690 528 2HMA HEC 128 2HM HEC 128 5.970 -2.226 -2.741 529 3HMA HEC 128 3HM HEC 128 5.542 -1.360 -4.235 530 1HAA HEC 128 1HA HEC 128 8.926 1.108 -1.405 531 2HAA HEC 128 2HA HEC 128 8.761 -0.183 -2.620 532 1HBA HEC 128 3HB HEC 128 8.263 1.486 -4.386 533 2HBA HEC 128 4HB HEC 128 8.273 2.802 -3.189 534 1HMB HEC 128 1HM HEC 128 0.226 -1.103 -3.788 535 2HMB HEC 128 2HM HEC 128 1.738 -1.927 -3.338 536 3HMB HEC 128 3HM HEC 128 0.208 -2.381 -2.549 537 HAB HEC 128 HT2 HEC 128 -1.704 0.365 0.047 538 1HBB HEC 128 1HT HEC 128 -2.375 -2.179 -0.371 539 2HBB HEC 128 2HT HEC 128 -0.622 -2.296 -0.088 540 3HBB HEC 128 3HT HEC 128 -1.664 -1.484 1.104 541 1HMC HEC 128 1HM HEC 128 -1.819 4.891 2.297 542 2HMC HEC 128 2HM HEC 128 -1.843 3.189 1.781 543 3HMC HEC 128 3HM HEC 128 -1.332 3.610 3.431 544 HAC HEC 128 HT4 HEC 128 1.727 6.907 3.011 545 1HBC HEC 128 1HT HEC 128 0.442 6.332 4.854 546 2HBC HEC 128 2HT HEC 128 -0.665 7.453 4.025 547 3HBC HEC 128 3HT HEC 128 -0.895 5.696 3.864 548 1HMD HEC 128 1HM HEC 128 5.047 7.606 2.114 549 2HMD HEC 128 2HM HEC 128 6.561 6.996 2.823 550 3HMD HEC 128 3HM HEC 128 6.594 7.868 1.272 551 1HAD HEC 128 1HA HEC 128 8.703 5.534 -0.413 552 2HAD HEC 128 2HA HEC 128 8.470 6.335 1.159 553 1HBD HEC 128 3HB HEC 128 8.890 4.287 2.331 554 2HBD HEC 128 4HB HEC 128 8.936 3.371 0.804 555 HHA HEC 158 HGM HEC 158 -3.137 -7.723 -6.293 556 HHB HEC 158 HDM HEC 158 -3.023 -5.999 -12.292 557 HHC HEC 158 HAM HEC 158 -1.628 -0.100 -10.458 558 HHD HEC 158 HBM HEC 158 -1.333 -2.107 -4.567 559 1HMA HEC 158 1HM HEC 158 -4.092 -7.809 -12.276 560 2HMA HEC 158 2HM HEC 158 -3.536 -9.295 -11.471 561 3HMA HEC 158 3HM HEC 158 -5.202 -8.719 -11.226 562 1HAA HEC 158 1HA HEC 158 -4.199 -9.084 -7.115 563 2HAA HEC 158 2HA HEC 158 -5.334 -9.376 -8.454 564 1HBA HEC 158 3HB HEC 158 -2.639 -9.967 -9.385 565 2HBA HEC 158 4HB HEC 158 -2.907 -10.829 -7.851 566 1HMB HEC 158 1HM HEC 158 -1.451 -4.846 -14.049 567 2HMB HEC 158 2HM HEC 158 -3.191 -4.543 -14.263 568 3HMB HEC 158 3HM HEC 158 -2.005 -3.313 -14.761 569 HAB HEC 158 HT2 HEC 158 -1.081 -0.335 -12.703 570 1HBB HEC 158 1HT HEC 158 -3.459 0.291 -14.027 571 2HBB HEC 158 2HT HEC 158 -3.829 -0.243 -12.371 572 3HBB HEC 158 3HT HEC 158 -2.653 1.064 -12.642 573 1HMC HEC 158 1HM HEC 158 -1.486 1.654 -9.500 574 2HMC HEC 158 2HM HEC 158 -1.235 2.308 -7.863 575 3HMC HEC 158 3HM HEC 158 0.146 1.674 -8.789 576 HAC HEC 158 HT4 HEC 158 -0.972 0.505 -4.662 577 1HBC HEC 158 1HT HEC 158 -0.706 2.535 -5.956 578 2HBC HEC 158 2HT HEC 158 0.790 2.274 -5.026 579 3HBC HEC 158 3HT HEC 158 0.743 1.891 -6.764 580 1HMD HEC 158 1HM HEC 158 -1.700 -2.896 -2.706 581 2HMD HEC 158 2HM HEC 158 -2.214 -4.464 -2.037 582 3HMD HEC 158 3HM HEC 158 -0.526 -4.224 -2.545 583 1HAD HEC 158 1HA HEC 158 -2.852 -6.334 -2.502 584 2HAD HEC 158 2HA HEC 158 -3.980 -7.012 -3.699 585 1HBD HEC 158 3HB HEC 158 -1.829 -8.186 -4.617 586 2HBD HEC 158 4HB HEC 158 -1.212 -7.872 -2.977 Start of MODEL 8 1 H ALA 1 HN ALA 1 2.554 -7.749 10.083 2 HA ALA 1 HA ALA 1 4.674 -9.155 11.002 3 1HB ALA 1 1HB ALA 1 5.591 -9.972 8.675 4 2HB ALA 1 2HB ALA 1 4.461 -11.001 9.587 5 3HB ALA 1 3HB ALA 1 3.870 -10.019 8.225 6 H ASP 2 HN ASP 2 6.569 -7.921 10.774 7 HA ASP 2 HA ASP 2 6.395 -5.329 10.355 8 1HB ASP 2 2HB ASP 2 8.728 -7.152 9.616 9 2HB ASP 2 3HB ASP 2 8.875 -5.408 9.701 10 H VAL 3 HN VAL 3 7.452 -7.758 7.847 11 HA VAL 3 HA VAL 3 6.815 -5.756 5.794 12 HB VAL 3 HB VAL 3 8.781 -8.042 5.877 13 1HG1 VAL 3 1HG VAL 3 7.762 -6.466 3.504 14 2HG1 VAL 3 2HG VAL 3 9.353 -7.264 3.506 15 3HG1 VAL 3 3HG VAL 3 7.873 -8.231 3.705 16 1HG2 VAL 3 1HG VAL 3 9.161 -5.073 5.360 17 2HG2 VAL 3 2HG VAL 3 9.488 -5.903 6.899 18 3HG2 VAL 3 3HG VAL 3 10.441 -6.307 5.451 19 H VAL 4 HN VAL 4 5.790 -6.585 3.797 20 HA VAL 4 HA VAL 4 4.379 -9.114 4.216 21 HB VAL 4 HB VAL 4 3.154 -6.451 3.479 22 1HG1 VAL 4 1HG VAL 4 1.972 -7.866 2.086 23 2HG1 VAL 4 2HG VAL 4 2.142 -9.263 3.176 24 3HG1 VAL 4 3HG VAL 4 1.001 -7.957 3.574 25 1HG2 VAL 4 1HG VAL 4 3.252 -8.095 5.941 26 2HG2 VAL 4 2HG VAL 4 3.014 -6.343 5.734 27 3HG2 VAL 4 3HG VAL 4 1.648 -7.460 5.506 28 H THR 5 HN THR 5 3.854 -10.234 2.268 29 HA THR 5 HA THR 5 4.641 -8.999 -0.237 30 HB THR 5 HB THR 5 6.224 -11.083 1.244 31 HG1 THR 5 HG1 THR 5 6.899 -8.848 0.697 32 1HG2 THR 5 1HG THR 5 7.114 -11.494 -1.302 33 2HG2 THR 5 2HG THR 5 5.942 -12.580 -0.519 34 3HG2 THR 5 3HG THR 5 5.375 -11.312 -1.632 35 H TYR 6 HN TYR 6 3.182 -9.476 -1.751 36 HA TYR 6 HA TYR 6 1.617 -11.934 -1.322 37 1HB TYR 6 2HB TYR 6 0.952 -9.212 -2.612 38 2HB TYR 6 3HB TYR 6 -0.177 -10.548 -2.513 39 HD1 TYR 6 HD1 TYR 6 0.695 -7.521 -1.053 40 HD2 TYR 6 HD2 TYR 6 -0.434 -11.503 0.029 41 HE1 TYR 6 HE1 TYR 6 -0.104 -6.686 1.211 42 HE2 TYR 6 HE2 TYR 6 -1.230 -10.654 2.291 43 HH TYR 6 HH TYR 6 -0.946 -7.209 3.124 44 H GLU 7 HN GLU 7 1.471 -13.378 -3.003 45 HA GLU 7 HA GLU 7 3.104 -12.761 -5.285 46 1HB GLU 7 2HB GLU 7 1.761 -15.286 -4.261 47 2HB GLU 7 3HB GLU 7 2.499 -15.230 -5.850 48 1HG GLU 7 2HG GLU 7 4.683 -14.791 -4.951 49 2HG GLU 7 3HG GLU 7 4.040 -14.343 -3.383 50 H ASN 8 HN ASN 8 2.366 -12.742 -7.475 51 HA ASN 8 HA ASN 8 -0.434 -13.128 -7.923 52 1HB ASN 8 2HB ASN 8 0.895 -10.426 -8.503 53 2HB ASN 8 3HB ASN 8 -0.741 -10.861 -8.957 54 1HD2 ASN 8 1HD ASN 8 1.071 -9.261 -6.760 55 2HD2 ASN 8 2HD ASN 8 0.023 -9.252 -5.383 56 H LYS 9 HN LYS 9 -0.842 -12.646 -10.445 57 HA LYS 9 HA LYS 9 1.520 -13.650 -11.854 58 1HB LYS 9 2HB LYS 9 -0.802 -14.863 -11.758 59 2HB LYS 9 3HB LYS 9 -1.273 -13.685 -12.966 60 1HG LYS 9 2HG LYS 9 0.653 -14.364 -14.400 61 2HG LYS 9 3HG LYS 9 1.160 -15.521 -13.186 62 1HD LYS 9 2HD LYS 9 -1.181 -16.590 -13.412 63 2HD LYS 9 3HD LYS 9 -1.414 -15.571 -14.818 64 1HE LYS 9 2HE LYS 9 0.646 -16.552 -15.863 65 2HE LYS 9 3HE LYS 9 0.860 -17.584 -14.462 66 1HZ LYS 9 1HZ LYS 9 -0.722 -18.060 -16.654 67 2HZ LYS 9 2HZ LYS 9 -0.596 -18.978 -15.309 68 3HZ LYS 9 3HZ LYS 9 -1.756 -17.832 -15.411 69 H LYS 10 HN LYS 10 1.048 -10.805 -11.009 70 HA LYS 10 HA LYS 10 1.588 -9.664 -13.589 71 1HB LYS 10 2HB LYS 10 -0.900 -9.626 -13.475 72 2HB LYS 10 3HB LYS 10 -0.802 -8.667 -12.012 73 1HG LYS 10 2HG LYS 10 -0.621 -6.793 -13.270 74 2HG LYS 10 3HG LYS 10 0.907 -7.375 -13.897 75 1HD LYS 10 2HD LYS 10 -1.550 -8.585 -15.115 76 2HD LYS 10 3HD LYS 10 -1.278 -6.890 -15.466 77 1HE LYS 10 2HE LYS 10 1.158 -7.576 -16.081 78 2HE LYS 10 3HE LYS 10 0.579 -9.230 -16.055 79 1HZ LYS 10 1HZ LYS 10 0.486 -7.968 -18.226 80 2HZ LYS 10 2HZ LYS 10 -0.846 -8.813 -17.803 81 3HZ LYS 10 3HZ LYS 10 -0.814 -7.191 -17.617 82 H GLY 11 HN GLY 11 3.535 -9.942 -11.918 83 1HA GLY 11 1HA GLY 11 5.149 -8.717 -10.909 84 2HA GLY 11 2HA GLY 11 4.141 -7.289 -11.035 85 H ASN 12 HN ASN 12 5.786 -8.657 -8.758 86 HA ASN 12 HA ASN 12 3.802 -9.393 -6.879 87 1HB ASN 12 2HB ASN 12 6.592 -9.682 -7.113 88 2HB ASN 12 3HB ASN 12 6.428 -8.551 -5.786 89 1HD2 ASN 12 1HD ASN 12 5.380 -11.682 -7.031 90 2HD2 ASN 12 2HD ASN 12 5.053 -12.441 -5.509 91 H VAL 13 HN VAL 13 2.950 -8.080 -5.172 92 HA VAL 13 HA VAL 13 3.735 -5.250 -5.298 93 HB VAL 13 HB VAL 13 1.452 -5.795 -6.094 94 1HG1 VAL 13 1HG VAL 13 -0.060 -6.996 -4.928 95 2HG1 VAL 13 2HG VAL 13 1.361 -7.607 -4.050 96 3HG1 VAL 13 3HG VAL 13 0.406 -6.267 -3.372 97 1HG2 VAL 13 1HG VAL 13 0.275 -4.119 -4.629 98 2HG2 VAL 13 2HG VAL 13 1.710 -4.123 -3.576 99 3HG2 VAL 13 3HG VAL 13 1.848 -3.579 -5.265 100 H THR 14 HN THR 14 5.516 -6.431 -3.842 101 HA THR 14 HA THR 14 4.869 -7.279 -1.278 102 HB THR 14 HB THR 14 7.296 -6.102 -2.671 103 HG1 THR 14 HG1 THR 14 6.508 -8.548 -1.248 104 1HG2 THR 14 1HG THR 14 8.561 -6.837 -0.546 105 2HG2 THR 14 2HG THR 14 7.674 -5.300 -0.408 106 3HG2 THR 14 3HG THR 14 6.993 -6.788 0.295 107 H PHE 15 HN PHE 15 4.166 -6.336 0.538 108 HA PHE 15 HA PHE 15 3.956 -3.423 0.461 109 1HB PHE 15 2HB PHE 15 2.511 -5.783 1.680 110 2HB PHE 15 3HB PHE 15 2.516 -4.322 2.647 111 HD1 PHE 15 HD1 PHE 15 0.038 -4.334 2.414 112 HD2 PHE 15 HD2 PHE 15 2.595 -3.874 -0.942 113 HE1 PHE 15 HE1 PHE 15 -1.885 -3.440 1.072 114 HE2 PHE 15 HE2 PHE 15 0.672 -2.980 -2.284 115 HZ PHE 15 HZ PHE 15 -1.545 -2.773 -1.261 116 H ASP 16 HN ASP 16 3.846 -2.595 2.985 117 HA ASP 16 HA ASP 16 6.046 -3.829 4.401 118 1HB ASP 16 2HB ASP 16 5.900 -0.966 3.409 119 2HB ASP 16 3HB ASP 16 6.774 -1.322 4.885 120 H HIS 17 HN HIS 17 5.665 -3.766 6.662 121 HA HIS 17 HA HIS 17 3.297 -2.246 7.469 122 1HB HIS 17 2HB HIS 17 3.916 -4.960 7.752 123 2HB HIS 17 3HB HIS 17 4.205 -4.286 9.344 124 HD1 HIS 17 HD1 HIS 17 1.575 -5.739 7.419 125 HD2 HIS 17 HD2 HIS 17 1.791 -2.553 10.139 126 HE1 HIS 17 HE1 HIS 17 -0.808 -5.335 8.236 127 H LYS 18 HN LYS 18 6.481 -3.443 8.767 128 HA LYS 18 HA LYS 18 6.489 -1.214 10.620 129 1HB LYS 18 2HB LYS 18 7.059 -3.470 11.416 130 2HB LYS 18 3HB LYS 18 8.391 -3.552 10.281 131 1HG LYS 18 2HG LYS 18 8.563 -1.076 11.812 132 2HG LYS 18 3HG LYS 18 8.410 -2.433 12.909 133 1HD LYS 18 2HD LYS 18 10.237 -3.398 11.037 134 2HD LYS 18 3HD LYS 18 10.661 -1.700 11.123 135 1HE LYS 18 2HE LYS 18 11.967 -2.790 12.823 136 2HE LYS 18 3HE LYS 18 10.701 -1.927 13.672 137 1HZ LYS 18 1HZ LYS 18 10.479 -4.755 12.920 138 2HZ LYS 18 2HZ LYS 18 11.024 -4.251 14.374 139 3HZ LYS 18 3HZ LYS 18 9.491 -3.921 13.917 140 H ALA 19 HN ALA 19 8.037 -2.348 7.618 141 HA ALA 19 HA ALA 19 10.138 -0.447 7.681 142 1HB ALA 19 1HB ALA 19 9.713 -1.151 5.023 143 2HB ALA 19 2HB ALA 19 10.764 -2.010 6.175 144 3HB ALA 19 3HB ALA 19 9.087 -2.554 5.923 145 H HIS 20 HN HIS 20 6.731 -0.438 6.695 146 HA HIS 20 HA HIS 20 7.075 2.051 5.267 147 1HB HIS 20 2HB HIS 20 5.203 -0.112 5.247 148 2HB HIS 20 3HB HIS 20 4.326 1.356 5.633 149 HD1 HIS 20 HD1 HIS 20 7.248 0.868 3.190 150 HD2 HIS 20 HD2 HIS 20 3.244 2.119 3.243 151 HE1 HIS 20 HE1 HIS 20 6.718 1.667 0.826 152 H ALA 21 HN ALA 21 5.301 0.797 8.177 153 HA ALA 21 HA ALA 21 4.117 3.028 9.073 154 1HB ALA 21 1HB ALA 21 4.765 2.089 11.413 155 2HB ALA 21 2HB ALA 21 3.828 1.048 10.314 156 3HB ALA 21 3HB ALA 21 5.580 0.797 10.500 157 H GLU 22 HN GLU 22 7.599 2.387 8.881 158 HA GLU 22 HA GLU 22 8.571 4.136 10.693 159 1HB GLU 22 2HB GLU 22 9.612 3.538 7.891 160 2HB GLU 22 3HB GLU 22 10.549 4.351 9.128 161 1HG GLU 22 2HG GLU 22 9.488 2.018 10.380 162 2HG GLU 22 3HG GLU 22 10.033 1.498 8.797 163 H LYS 23 HN LYS 23 7.602 4.844 7.267 164 HA LYS 23 HA LYS 23 7.912 7.683 7.815 165 1HB LYS 23 2HB LYS 23 7.605 6.008 5.338 166 2HB LYS 23 3HB LYS 23 7.220 7.717 5.284 167 1HG LYS 23 2HG LYS 23 9.671 7.605 6.686 168 2HG LYS 23 3HG LYS 23 9.847 6.405 5.421 169 1HD LYS 23 2HD LYS 23 8.625 8.587 4.116 170 2HD LYS 23 3HD LYS 23 9.771 9.340 5.208 171 1HE LYS 23 2HE LYS 23 11.065 7.055 3.992 172 2HE LYS 23 3HE LYS 23 10.310 7.993 2.719 173 1HZ LYS 23 1HZ LYS 23 11.436 9.855 4.315 174 2HZ LYS 23 2HZ LYS 23 12.539 8.651 4.334 175 3HZ LYS 23 3HZ LYS 23 12.062 9.300 2.913 176 H LEU 24 HN LEU 24 5.423 5.201 7.063 177 HA LEU 24 HA LEU 24 3.308 7.068 6.880 178 1HB LEU 24 2HB LEU 24 3.384 4.085 7.336 179 2HB LEU 24 3HB LEU 24 1.901 5.001 7.142 180 HG LEU 24 HG LEU 24 2.981 5.801 4.896 181 1HD1 LEU 24 1HD LEU 24 4.593 3.311 5.501 182 2HD1 LEU 24 2HD LEU 24 4.413 4.018 3.877 183 3HD1 LEU 24 3HD LEU 24 5.198 4.953 5.173 184 1HD2 LEU 24 1HD LEU 24 0.957 4.517 4.962 185 2HD2 LEU 24 2HD LEU 24 2.038 3.799 3.744 186 3HD2 LEU 24 3HD LEU 24 1.852 3.025 5.336 187 H GLY 25 HN GLY 25 2.668 4.506 9.154 188 1HA GLY 25 1HA GLY 25 3.207 4.987 11.585 189 2HA GLY 25 2HA GLY 25 2.437 6.533 11.291 190 H CYS 26 HN CYS 26 1.507 3.313 9.934 191 HA CYS 26 HA CYS 26 -0.337 2.136 10.075 192 1HB CYS 26 2HB CYS 26 -1.349 3.213 12.620 193 2HB CYS 26 3HB CYS 26 -1.080 1.556 12.115 194 H ASP 27 HN ASP 27 -1.477 5.005 11.987 195 HA ASP 27 HA ASP 27 -3.880 5.306 10.998 196 1HB ASP 27 2HB ASP 27 -1.838 7.538 11.418 197 2HB ASP 27 3HB ASP 27 -3.558 7.824 11.247 198 H ALA 28 HN ALA 28 -0.801 6.354 9.416 199 HA ALA 28 HA ALA 28 -1.597 7.868 7.365 200 1HB ALA 28 1HB ALA 28 0.535 7.502 6.753 201 2HB ALA 28 2HB ALA 28 0.633 6.261 8.024 202 3HB ALA 28 3HB ALA 28 0.181 5.802 6.366 203 H CYS 29 HN CYS 29 -2.106 4.333 7.724 204 HA CYS 29 HA CYS 29 -3.651 4.431 5.238 205 1HB CYS 29 2HB CYS 29 -2.898 1.817 6.427 206 2HB CYS 29 3HB CYS 29 -3.064 2.290 4.747 207 H HIS 30 HN HIS 30 -3.487 2.751 8.471 208 HA HIS 30 HA HIS 30 -6.227 2.111 8.441 209 1HB HIS 30 2HB HIS 30 -4.367 2.256 10.827 210 2HB HIS 30 3HB HIS 30 -5.868 1.358 10.713 211 HD1 HIS 30 HD1 HIS 30 -5.865 -0.767 9.069 212 HD2 HIS 30 HD2 HIS 30 -2.118 0.953 9.841 213 HE1 HIS 30 HE1 HIS 30 -4.126 -2.487 8.344 214 H GLU 31 HN GLU 31 -7.017 2.874 11.119 215 HA GLU 31 HA GLU 31 -6.770 5.657 11.397 216 1HB GLU 31 2HB GLU 31 -8.397 5.335 9.382 217 2HB GLU 31 3HB GLU 31 -9.558 4.781 10.572 218 1HG GLU 31 2HG GLU 31 -9.591 6.890 11.704 219 2HG GLU 31 3HG GLU 31 -8.092 7.414 10.962 220 H GLY 32 HN GLY 32 -6.353 5.270 13.581 221 1HA GLY 32 1HA GLY 32 -6.762 4.765 15.732 222 2HA GLY 32 2HA GLY 32 -8.446 5.088 15.373 223 H THR 33 HN THR 33 -5.985 2.616 15.868 224 HA THR 33 HA THR 33 -6.137 0.438 16.295 225 HB THR 33 HB THR 33 -9.163 0.915 16.365 226 HG1 THR 33 HG1 THR 33 -6.941 1.118 18.272 227 1HG2 THR 33 1HG THR 33 -8.440 -0.828 18.408 228 2HG2 THR 33 2HG THR 33 -9.137 -1.339 16.851 229 3HG2 THR 33 3HG THR 33 -7.371 -1.352 17.083 230 HA PRO 34 HA PRO 34 -6.646 -0.735 12.103 231 1HB PRO 34 2HB PRO 34 -4.580 -2.522 12.042 232 2HB PRO 34 3HB PRO 34 -4.382 -0.817 11.690 233 1HG PRO 34 2HG PRO 34 -3.610 -2.311 14.123 234 2HG PRO 34 3HG PRO 34 -3.056 -0.740 13.577 235 1HD PRO 34 2HD PRO 34 -4.954 -1.260 15.664 236 2HD PRO 34 3HD PRO 34 -4.487 0.309 15.039 237 H ALA 35 HN ALA 35 -6.439 -3.154 11.029 238 HA ALA 35 HA ALA 35 -7.313 -5.225 12.678 239 1HB ALA 35 1HB ALA 35 -9.594 -4.024 11.081 240 2HB ALA 35 2HB ALA 35 -9.660 -5.283 12.338 241 3HB ALA 35 3HB ALA 35 -9.309 -3.596 12.785 242 H LYS 36 HN LYS 36 -7.886 -3.705 9.428 243 HA LYS 36 HA LYS 36 -6.249 -5.464 8.068 244 1HB LYS 36 2HB LYS 36 -7.568 -7.170 7.233 245 2HB LYS 36 3HB LYS 36 -8.115 -7.065 8.895 246 1HG LYS 36 2HG LYS 36 -10.224 -6.744 8.129 247 2HG LYS 36 3HG LYS 36 -9.716 -5.190 7.496 248 1HD LYS 36 2HD LYS 36 -10.470 -6.179 5.530 249 2HD LYS 36 3HD LYS 36 -8.785 -6.658 5.469 250 1HE LYS 36 2HE LYS 36 -9.246 -8.883 5.979 251 2HE LYS 36 3HE LYS 36 -10.632 -8.487 6.975 252 1HZ LYS 36 1HZ LYS 36 -10.511 -8.978 4.167 253 2HZ LYS 36 2HZ LYS 36 -11.767 -9.137 5.199 254 3HZ LYS 36 3HZ LYS 36 -11.417 -7.676 4.557 255 H ILE 37 HN ILE 37 -7.198 -5.520 5.548 256 HA ILE 37 HA ILE 37 -8.591 -3.080 4.949 257 HB ILE 37 HB ILE 37 -5.682 -3.398 4.198 258 1HG1 ILE 37 2HG ILE 37 -7.106 -1.502 6.081 259 2HG1 ILE 37 3HG ILE 37 -5.860 -2.668 6.477 260 1HG2 ILE 37 1HG ILE 37 -7.599 -1.168 3.471 261 2HG2 ILE 37 2HG ILE 37 -5.888 -1.316 3.004 262 3HG2 ILE 37 3HG ILE 37 -7.086 -2.472 2.374 263 1HD1 ILE 37 1HD ILE 37 -4.546 -1.247 4.549 264 2HD1 ILE 37 2HD ILE 37 -5.608 0.020 5.206 265 3HD1 ILE 37 3HD ILE 37 -4.481 -0.841 6.281 266 H ALA 38 HN ALA 38 -9.507 -3.127 2.869 267 HA ALA 38 HA ALA 38 -9.735 -5.727 1.756 268 1HB ALA 38 1HB ALA 38 -10.792 -3.890 -0.067 269 2HB ALA 38 2HB ALA 38 -11.676 -4.699 1.249 270 3HB ALA 38 3HB ALA 38 -10.974 -3.085 1.510 271 H ILE 39 HN ILE 39 -7.744 -6.497 1.005 272 HA ILE 39 HA ILE 39 -6.569 -4.895 -1.161 273 HB ILE 39 HB ILE 39 -5.181 -6.812 0.716 274 1HG1 ILE 39 2HG ILE 39 -5.896 -4.762 1.864 275 2HG1 ILE 39 3HG ILE 39 -4.152 -4.862 1.724 276 1HG2 ILE 39 1HG ILE 39 -3.788 -4.899 -1.129 277 2HG2 ILE 39 2HG ILE 39 -3.204 -6.415 -0.401 278 3HG2 ILE 39 3HG ILE 39 -4.372 -6.464 -1.744 279 1HD1 ILE 39 1HD ILE 39 -4.083 -2.902 0.595 280 2HD1 ILE 39 2HD ILE 39 -5.212 -3.531 -0.629 281 3HD1 ILE 39 3HD ILE 39 -5.840 -2.747 0.840 282 H ASP 40 HN ASP 40 -7.175 -5.721 -3.087 283 HA ASP 40 HA ASP 40 -6.548 -8.372 -3.696 284 1HB ASP 40 2HB ASP 40 -8.591 -8.972 -2.531 285 2HB ASP 40 3HB ASP 40 -9.483 -7.666 -3.287 286 H LYS 41 HN LYS 41 -9.298 -6.146 -4.598 287 HA LYS 41 HA LYS 41 -7.937 -5.054 -6.818 288 1HB LYS 41 2HB LYS 41 -8.608 -7.546 -7.446 289 2HB LYS 41 3HB LYS 41 -10.176 -6.820 -7.733 290 1HG LYS 41 2HG LYS 41 -9.441 -5.599 -9.553 291 2HG LYS 41 3HG LYS 41 -7.859 -5.306 -8.858 292 1HD LYS 41 2HD LYS 41 -6.942 -7.161 -9.839 293 2HD LYS 41 3HD LYS 41 -8.330 -8.165 -9.466 294 1HE LYS 41 2HE LYS 41 -9.592 -7.088 -11.363 295 2HE LYS 41 3HE LYS 41 -8.170 -6.141 -11.752 296 1HZ LYS 41 1HZ LYS 41 -7.286 -7.871 -12.770 297 2HZ LYS 41 2HZ LYS 41 -7.561 -8.892 -11.524 298 3HZ LYS 41 3HZ LYS 41 -8.723 -8.636 -12.643 299 H LYS 42 HN LYS 42 -8.827 -3.480 -5.060 300 HA LYS 42 HA LYS 42 -10.972 -2.112 -6.215 301 1HB LYS 42 2HB LYS 42 -12.093 -4.161 -5.021 302 2HB LYS 42 3HB LYS 42 -11.805 -3.246 -3.556 303 1HG LYS 42 2HG LYS 42 -13.671 -2.038 -3.999 304 2HG LYS 42 3HG LYS 42 -12.855 -1.355 -5.392 305 1HD LYS 42 2HD LYS 42 -13.643 -3.255 -6.803 306 2HD LYS 42 3HD LYS 42 -14.428 -3.976 -5.412 307 1HE LYS 42 2HE LYS 42 -15.343 -1.263 -5.536 308 2HE LYS 42 3HE LYS 42 -15.415 -1.884 -7.174 309 1HZ LYS 42 1HZ LYS 42 -17.008 -2.569 -4.944 310 2HZ LYS 42 2HZ LYS 42 -17.270 -2.859 -6.530 311 3HZ LYS 42 3HZ LYS 42 -16.376 -3.902 -5.646 312 H SER 43 HN SER 43 -10.026 -2.689 -2.756 313 HA SER 43 HA SER 43 -9.666 0.103 -2.424 314 1HB SER 43 2HB SER 43 -10.063 -2.172 -0.750 315 2HB SER 43 3HB SER 43 -8.526 -1.483 -0.267 316 HG SER 43 HG SER 43 -9.609 0.603 -0.048 317 H ALA 44 HN ALA 44 -7.615 -2.779 -2.945 318 HA ALA 44 HA ALA 44 -5.168 -1.631 -2.222 319 1HB ALA 44 1HB ALA 44 -4.693 -3.807 -2.527 320 2HB ALA 44 2HB ALA 44 -6.193 -4.057 -3.452 321 3HB ALA 44 3HB ALA 44 -4.717 -3.509 -4.282 322 H HIS 45 HN HIS 45 -7.354 -0.845 -4.734 323 HA HIS 45 HA HIS 45 -5.170 0.463 -6.186 324 1HB HIS 45 2HB HIS 45 -7.461 -1.162 -7.164 325 2HB HIS 45 3HB HIS 45 -7.088 0.284 -8.080 326 HD1 HIS 45 HD1 HIS 45 -5.617 -0.251 -10.012 327 HD2 HIS 45 HD2 HIS 45 -4.720 -2.613 -6.663 328 HE1 HIS 45 HE1 HIS 45 -3.678 -1.761 -10.700 329 H LYS 46 HN LYS 46 -7.398 1.023 -3.925 330 HA LYS 46 HA LYS 46 -7.967 3.680 -4.997 331 1HB LYS 46 2HB LYS 46 -10.018 1.780 -3.830 332 2HB LYS 46 3HB LYS 46 -10.279 3.504 -3.992 333 1HG LYS 46 2HG LYS 46 -9.752 3.284 -6.475 334 2HG LYS 46 3HG LYS 46 -9.685 1.547 -6.258 335 1HD LYS 46 2HD LYS 46 -11.917 1.678 -6.808 336 2HD LYS 46 3HD LYS 46 -12.097 2.004 -5.096 337 1HE LYS 46 2HE LYS 46 -11.649 4.537 -5.872 338 2HE LYS 46 3HE LYS 46 -12.211 3.931 -7.417 339 1HZ LYS 46 1HZ LYS 46 -13.986 4.777 -6.000 340 2HZ LYS 46 2HZ LYS 46 -14.216 3.207 -6.387 341 3HZ LYS 46 3HZ LYS 46 -13.685 3.611 -4.896 342 H ASP 47 HN ASP 47 -9.714 3.143 -2.173 343 HA ASP 47 HA ASP 47 -8.541 4.888 -0.631 344 1HB ASP 47 2HB ASP 47 -10.330 2.756 -0.239 345 2HB ASP 47 3HB ASP 47 -9.072 2.442 0.940 346 H ALA 48 HN ALA 48 -7.832 1.344 -0.118 347 HA ALA 48 HA ALA 48 -5.762 1.372 1.495 348 1HB ALA 48 1HB ALA 48 -5.183 -0.263 -0.898 349 2HB ALA 48 2HB ALA 48 -5.462 -0.762 0.787 350 3HB ALA 48 3HB ALA 48 -6.845 -0.433 -0.284 351 H CYS 49 HN CYS 49 -4.968 1.287 -2.041 352 HA CYS 49 HA CYS 49 -2.557 2.760 -1.419 353 1HB CYS 49 2HB CYS 49 -3.454 1.493 -4.015 354 2HB CYS 49 3HB CYS 49 -1.885 2.212 -3.709 355 H LYS 50 HN LYS 50 -2.989 3.474 -4.566 356 HA LYS 50 HA LYS 50 -3.271 5.498 -5.501 357 1HB LYS 50 2HB LYS 50 -5.941 4.407 -4.723 358 2HB LYS 50 3HB LYS 50 -5.890 6.031 -5.381 359 1HG LYS 50 2HG LYS 50 -4.702 3.545 -6.703 360 2HG LYS 50 3HG LYS 50 -6.195 4.332 -7.174 361 1HD LYS 50 2HD LYS 50 -4.122 6.343 -7.086 362 2HD LYS 50 3HD LYS 50 -3.506 4.974 -7.990 363 1HE LYS 50 2HE LYS 50 -5.072 5.201 -9.694 364 2HE LYS 50 3HE LYS 50 -6.317 5.814 -8.622 365 1HZ LYS 50 1HZ LYS 50 -4.050 7.534 -8.853 366 2HZ LYS 50 2HZ LYS 50 -4.845 7.315 -10.263 367 3HZ LYS 50 3HZ LYS 50 -5.640 7.888 -8.956 368 H THR 51 HN THR 51 -2.324 5.668 -2.734 369 HA THR 51 HA THR 51 -3.068 8.422 -2.280 370 HB THR 51 HB THR 51 -4.790 6.924 -1.062 371 HG1 THR 51 HG1 THR 51 -4.454 8.328 0.844 372 1HG2 THR 51 1HG THR 51 -2.554 5.506 -0.201 373 2HG2 THR 51 2HG THR 51 -2.838 6.614 1.162 374 3HG2 THR 51 3HG THR 51 -4.127 5.508 0.631 375 H CYS 52 HN CYS 52 -1.709 9.378 -0.462 376 HA CYS 52 HA CYS 52 0.423 9.938 -0.084 377 1HB CYS 52 2HB CYS 52 -0.101 8.855 1.937 378 2HB CYS 52 3HB CYS 52 0.057 7.258 1.234 379 H HIS 53 HN HIS 53 0.890 9.790 -2.514 380 HA HIS 53 HA HIS 53 3.304 8.552 -2.948 381 1HB HIS 53 2HB HIS 53 0.984 6.809 -3.470 382 2HB HIS 53 3HB HIS 53 2.089 6.948 -4.822 383 HD1 HIS 53 HD1 HIS 53 4.740 6.448 -4.150 384 HD2 HIS 53 HD2 HIS 53 1.764 4.988 -1.579 385 HE1 HIS 53 HE1 HIS 53 5.844 4.630 -2.740 386 H LYS 54 HN LYS 54 0.180 9.702 -4.261 387 HA LYS 54 HA LYS 54 0.739 10.260 -6.819 388 1HB LYS 54 2HB LYS 54 -0.683 12.034 -4.812 389 2HB LYS 54 3HB LYS 54 -0.747 12.256 -6.548 390 1HG LYS 54 2HG LYS 54 -1.758 10.039 -6.858 391 2HG LYS 54 3HG LYS 54 -1.540 9.654 -5.162 392 1HD LYS 54 2HD LYS 54 -3.107 12.137 -5.867 393 2HD LYS 54 3HD LYS 54 -3.879 10.581 -6.096 394 1HE LYS 54 2HE LYS 54 -2.867 10.184 -3.597 395 2HE LYS 54 3HE LYS 54 -3.032 11.928 -3.549 396 1HZ LYS 54 1HZ LYS 54 -5.011 10.557 -2.878 397 2HZ LYS 54 2HZ LYS 54 -5.299 11.769 -3.934 398 3HZ LYS 54 3HZ LYS 54 -5.230 10.226 -4.463 399 H SER 55 HN SER 55 2.190 11.766 -3.949 400 HA SER 55 HA SER 55 3.679 13.498 -5.761 401 1HB SER 55 2HB SER 55 2.259 14.145 -3.435 402 2HB SER 55 3HB SER 55 3.920 14.084 -2.880 403 HG SER 55 HG SER 55 4.367 15.479 -4.882 404 H ASN 56 HN ASN 56 4.109 11.934 -2.494 405 HA ASN 56 HA ASN 56 6.815 11.865 -2.540 406 1HB ASN 56 2HB ASN 56 4.935 9.749 -1.366 407 2HB ASN 56 3HB ASN 56 6.605 9.981 -0.889 408 1HD2 ASN 56 1HD ASN 56 3.670 10.422 0.185 409 2HD2 ASN 56 2HD ASN 56 3.786 11.910 1.063 410 H ASN 57 HN ASN 57 8.310 9.931 -2.881 411 HA ASN 57 HA ASN 57 9.069 8.197 -3.958 412 1HB ASN 57 2HB ASN 57 6.338 7.492 -3.659 413 2HB ASN 57 3HB ASN 57 6.660 7.235 -5.363 414 1HD2 ASN 57 1HD ASN 57 8.065 6.662 -2.148 415 2HD2 ASN 57 2HD ASN 57 8.727 5.095 -2.470 416 H GLY 58 HN GLY 58 6.182 9.070 -6.012 417 1HA GLY 58 1HA GLY 58 6.735 10.771 -7.797 418 2HA GLY 58 2HA GLY 58 8.041 9.685 -8.226 419 HA PRO 59 HA PRO 59 5.286 7.216 -10.493 420 1HB PRO 59 2HB PRO 59 6.105 4.643 -10.069 421 2HB PRO 59 3HB PRO 59 6.928 5.744 -11.157 422 1HG PRO 59 2HG PRO 59 7.743 4.849 -8.459 423 2HG PRO 59 3HG PRO 59 8.720 5.588 -9.714 424 1HD PRO 59 2HD PRO 59 7.703 6.865 -7.356 425 2HD PRO 59 3HD PRO 59 8.580 7.629 -8.666 426 H THR 60 HN THR 60 3.155 7.021 -10.292 427 HA THR 60 HA THR 60 2.298 5.588 -7.863 428 HB THR 60 HB THR 60 0.329 7.109 -7.913 429 HG1 THR 60 HG1 THR 60 0.115 8.445 -9.727 430 1HG2 THR 60 1HG THR 60 1.709 8.491 -6.698 431 2HG2 THR 60 2HG THR 60 3.107 8.127 -7.738 432 3HG2 THR 60 3HG THR 60 1.939 9.380 -8.223 433 H LYS 61 HN LYS 61 1.768 6.159 -11.366 434 HA LYS 61 HA LYS 61 -0.346 4.259 -11.500 435 1HB LYS 61 2HB LYS 61 -0.314 4.679 -13.847 436 2HB LYS 61 3HB LYS 61 -0.064 6.211 -13.036 437 1HG LYS 61 2HG LYS 61 2.504 5.664 -13.303 438 2HG LYS 61 3HG LYS 61 1.972 4.505 -14.505 439 1HD LYS 61 2HD LYS 61 0.534 6.651 -15.348 440 2HD LYS 61 3HD LYS 61 1.853 7.508 -14.574 441 1HE LYS 61 2HE LYS 61 3.377 5.792 -15.935 442 2HE LYS 61 3HE LYS 61 1.950 5.619 -16.938 443 1HZ LYS 61 1HZ LYS 61 3.258 8.173 -16.299 444 2HZ LYS 61 2HZ LYS 61 3.389 7.370 -17.715 445 3HZ LYS 61 3HZ LYS 61 1.950 7.992 -17.260 446 H CYS 62 HN CYS 62 0.810 3.010 -14.026 447 HA CYS 62 HA CYS 62 1.610 0.634 -12.926 448 1HB CYS 62 2HB CYS 62 1.431 1.803 -15.574 449 2HB CYS 62 3HB CYS 62 2.823 0.745 -15.449 450 H GLY 63 HN GLY 63 3.888 -0.417 -13.396 451 1HA GLY 63 1HA GLY 63 6.053 -0.483 -12.786 452 2HA GLY 63 2HA GLY 63 6.217 0.982 -13.736 453 H GLY 64 HN GLY 64 4.124 0.765 -10.840 454 1HA GLY 64 1HA GLY 64 5.876 2.742 -9.532 455 2HA GLY 64 2HA GLY 64 4.160 2.523 -9.251 456 H CYS 65 HN CYS 65 3.621 0.034 -8.605 457 HA CYS 65 HA CYS 65 5.488 -0.551 -6.430 458 1HB CYS 65 2HB CYS 65 3.394 -1.869 -5.587 459 2HB CYS 65 3HB CYS 65 3.545 -0.142 -5.327 460 H HIS 66 HN HIS 66 3.235 -2.036 -8.870 461 HA HIS 66 HA HIS 66 3.990 -4.645 -8.547 462 1HB HIS 66 2HB HIS 66 2.863 -3.033 -10.801 463 2HB HIS 66 3HB HIS 66 3.423 -4.657 -11.151 464 HD1 HIS 66 HD1 HIS 66 2.401 -6.495 -9.184 465 HD2 HIS 66 HD2 HIS 66 0.231 -3.028 -10.119 466 HE1 HIS 66 HE1 HIS 66 -0.005 -6.939 -8.456 467 H ILE 67 HN ILE 67 5.696 -5.936 -9.195 468 HA ILE 67 HA ILE 67 8.005 -4.492 -10.191 469 HB ILE 67 HB ILE 67 7.556 -7.174 -8.915 470 1HG1 ILE 67 2HG ILE 67 9.453 -4.960 -8.115 471 2HG1 ILE 67 3HG ILE 67 7.775 -4.979 -7.606 472 1HG2 ILE 67 1HG ILE 67 10.309 -6.894 -9.231 473 2HG2 ILE 67 2HG ILE 67 9.244 -8.048 -10.069 474 3HG2 ILE 67 3HG ILE 67 9.633 -6.484 -10.825 475 1HD1 ILE 67 1HD ILE 67 8.699 -7.608 -7.110 476 2HD1 ILE 67 2HD ILE 67 10.022 -6.539 -6.588 477 3HD1 ILE 67 3HD ILE 67 8.393 -6.337 -5.902 478 H LYS 68 HN LYS 68 7.668 -4.105 -12.378 479 HA LYS 68 HA LYS 68 6.785 -6.305 -14.035 480 1HB LYS 68 2HB LYS 68 6.577 -4.695 -15.767 481 2HB LYS 68 3HB LYS 68 5.957 -3.951 -14.308 482 1HG LYS 68 2HG LYS 68 8.702 -3.316 -14.263 483 2HG LYS 68 3HG LYS 68 8.273 -3.179 -15.956 484 1HD LYS 68 2HD LYS 68 6.120 -1.954 -14.587 485 2HD LYS 68 3HD LYS 68 7.547 -1.431 -13.713 486 1HE LYS 68 2HE LYS 68 7.902 -1.342 -16.654 487 2HE LYS 68 3HE LYS 68 6.597 -0.314 -16.093 488 1HZ LYS 68 1HZ LYS 68 8.332 0.391 -14.351 489 2HZ LYS 68 2HZ LYS 68 9.424 -0.190 -15.418 490 3HZ LYS 68 3HZ LYS 68 8.413 1.015 -15.858 491 HHA HEC 98 HGM HEC 98 -4.153 -5.594 7.813 492 HHB HEC 98 HDM HEC 98 -2.018 -3.146 13.144 493 HHC HEC 98 HAM HEC 98 1.416 0.958 9.758 494 HHD HEC 98 HBM HEC 98 -1.174 -1.311 4.565 495 1HMA HEC 98 1HM HEC 98 -3.665 -6.679 12.907 496 2HMA HEC 98 2HM HEC 98 -2.358 -5.626 13.497 497 3HMA HEC 98 3HM HEC 98 -4.041 -5.050 13.518 498 1HAA HEC 98 1HA HEC 98 -4.657 -7.320 11.062 499 2HAA HEC 98 2HA HEC 98 -5.132 -6.666 9.477 500 1HBA HEC 98 3HB HEC 98 -3.968 -8.518 8.673 501 2HBA HEC 98 4HB HEC 98 -2.554 -7.465 8.913 502 1HMB HEC 98 1HM HEC 98 -1.095 -0.025 14.561 503 2HMB HEC 98 2HM HEC 98 -1.574 -1.736 14.460 504 3HMB HEC 98 3HM HEC 98 0.114 -1.305 14.820 505 HAB HEC 98 HT2 HEC 98 1.692 1.459 11.695 506 1HBB HEC 98 1HT HEC 98 2.967 0.907 13.979 507 2HBB HEC 98 2HT HEC 98 2.595 -0.712 13.339 508 3HBB HEC 98 3HT HEC 98 3.463 0.467 12.327 509 1HMC HEC 98 1HM HEC 98 2.409 1.980 8.463 510 2HMC HEC 98 2HM HEC 98 2.770 1.960 6.721 511 3HMC HEC 98 3HM HEC 98 1.478 3.009 7.349 512 HAC HEC 98 HT4 HEC 98 -0.747 1.399 4.487 513 1HBC HEC 98 1HT HEC 98 0.111 0.078 2.887 514 2HBC HEC 98 2HT HEC 98 1.703 0.839 3.118 515 3HBC HEC 98 3HT HEC 98 1.266 -0.611 4.053 516 1HMD HEC 98 1HM HEC 98 -1.868 -2.406 3.019 517 2HMD HEC 98 2HM HEC 98 -2.737 -3.943 2.802 518 3HMD HEC 98 3HM HEC 98 -3.647 -2.437 3.071 519 1HAD HEC 98 1HA HEC 98 -4.304 -6.169 5.631 520 2HAD HEC 98 2HA HEC 98 -4.734 -5.138 4.246 521 1HBD HEC 98 3HB HEC 98 -2.189 -5.653 3.611 522 2HBD HEC 98 4HB HEC 98 -2.551 -7.117 4.557 523 HHA HEC 128 HGM HEC 128 8.589 3.519 -1.028 524 HHB HEC 128 HDM HEC 128 4.083 -0.171 -3.277 525 HHC HEC 128 HAM HEC 128 -0.023 2.638 0.642 526 HHD HEC 128 HBM HEC 128 4.497 6.536 2.426 527 1HMA HEC 128 1HM HEC 128 6.564 -0.383 -4.670 528 2HMA HEC 128 2HM HEC 128 7.881 -0.975 -3.630 529 3HMA HEC 128 3HM HEC 128 6.201 -1.463 -3.303 530 1HAA HEC 128 1HA HEC 128 9.366 0.961 -3.353 531 2HAA HEC 128 2HA HEC 128 9.544 2.259 -2.150 532 1HBA HEC 128 3HB HEC 128 9.622 0.605 -0.308 533 2HBA HEC 128 4HB HEC 128 9.286 -0.724 -1.442 534 1HMB HEC 128 1HM HEC 128 1.713 -0.040 -4.386 535 2HMB HEC 128 2HM HEC 128 1.986 -1.453 -3.342 536 3HMB HEC 128 3HM HEC 128 0.350 -0.773 -3.506 537 HAB HEC 128 HT2 HEC 128 -1.174 1.510 -0.796 538 1HBB HEC 128 1HT HEC 128 -0.158 -1.038 0.151 539 2HBB HEC 128 2HT HEC 128 -1.195 0.196 0.907 540 3HBB HEC 128 3HT HEC 128 -1.886 -0.951 -0.265 541 1HMC HEC 128 1HM HEC 128 -0.655 4.036 3.253 542 2HMC HEC 128 2HM HEC 128 -0.973 5.571 2.411 543 3HMC HEC 128 3HM HEC 128 -1.137 4.027 1.540 544 HAC HEC 128 HT4 HEC 128 2.626 7.288 3.277 545 1HBC HEC 128 1HT HEC 128 0.050 6.025 4.078 546 2HBC HEC 128 2HT HEC 128 1.309 6.797 5.073 547 3HBC HEC 128 3HT HEC 128 0.117 7.799 4.211 548 1HMD HEC 128 1HM HEC 128 6.996 7.074 3.415 549 2HMD HEC 128 2HM HEC 128 7.916 7.832 2.094 550 3HMD HEC 128 3HM HEC 128 6.158 8.081 2.210 551 1HAD HEC 128 1HA HEC 128 9.688 5.420 0.033 552 2HAD HEC 128 2HA HEC 128 9.389 6.609 1.323 553 1HBD HEC 128 3HB HEC 128 9.698 5.044 3.007 554 2HBD HEC 128 4HB HEC 128 9.422 3.665 1.916 555 HHA HEC 158 HGM HEC 158 -3.613 -7.297 -7.094 556 HHB HEC 158 HDM HEC 158 -2.628 -5.818 -13.078 557 HHC HEC 158 HAM HEC 158 -0.672 -0.085 -11.227 558 HHD HEC 158 HBM HEC 158 -1.279 -1.902 -5.298 559 1HMA HEC 158 1HM HEC 158 -4.699 -7.373 -12.931 560 2HMA HEC 158 2HM HEC 158 -3.294 -8.445 -12.732 561 3HMA HEC 158 3HM HEC 158 -4.831 -8.839 -11.931 562 1HAA HEC 158 1HA HEC 158 -4.968 -8.434 -8.041 563 2HAA HEC 158 2HA HEC 158 -5.663 -8.876 -9.618 564 1HBA HEC 158 3HB HEC 158 -3.485 -10.060 -10.193 565 2HBA HEC 158 4HB HEC 158 -2.902 -9.709 -8.548 566 1HMB HEC 158 1HM HEC 158 -2.220 -4.801 -14.883 567 2HMB HEC 158 2HM HEC 158 -1.459 -3.332 -15.540 568 3HMB HEC 158 3HM HEC 158 -0.453 -4.608 -14.812 569 HAB HEC 158 HT2 HEC 158 0.232 -0.662 -13.570 570 1HBB HEC 158 1HT HEC 158 -2.287 0.505 -14.404 571 2HBB HEC 158 2HT HEC 158 -2.020 0.325 -12.654 572 3HBB HEC 158 3HT HEC 158 -0.833 1.200 -13.650 573 1HMC HEC 158 1HM HEC 158 -0.776 2.240 -9.323 574 2HMC HEC 158 2HM HEC 158 0.863 1.916 -8.710 575 3HMC HEC 158 3HM HEC 158 0.395 1.361 -10.334 576 HAC HEC 158 HT4 HEC 158 -0.420 0.247 -5.296 577 1HBC HEC 158 1HT HEC 158 1.338 2.262 -6.581 578 2HBC HEC 158 2HT HEC 158 -0.381 2.376 -7.030 579 3HBC HEC 158 3HT HEC 158 0.099 2.460 -5.318 580 1HMD HEC 158 1HM HEC 158 -1.882 -4.518 -2.822 581 2HMD HEC 158 2HM HEC 158 -1.011 -3.105 -3.465 582 3HMD HEC 158 3HM HEC 158 -2.764 -3.011 -3.173 583 1HAD HEC 158 1HA HEC 158 -4.109 -5.670 -3.561 584 2HAD HEC 158 2HA HEC 158 -4.308 -6.864 -4.865 585 1HBD HEC 158 3HB HEC 158 -1.963 -7.631 -4.376 586 2HBD HEC 158 4HB HEC 158 -2.010 -6.590 -2.931 Start of MODEL 9 1 H ALA 1 HN ALA 1 4.310 -10.978 8.322 2 HA ALA 1 HA ALA 1 2.777 -9.318 9.880 3 1HB ALA 1 1HB ALA 1 5.262 -10.881 10.114 4 2HB ALA 1 2HB ALA 1 5.200 -9.484 11.214 5 3HB ALA 1 3HB ALA 1 3.910 -10.709 11.259 6 H ASP 2 HN ASP 2 6.272 -8.692 9.094 7 HA ASP 2 HA ASP 2 5.757 -5.903 9.535 8 1HB ASP 2 2HB ASP 2 8.335 -5.869 8.896 9 2HB ASP 2 3HB ASP 2 7.819 -6.454 10.465 10 H VAL 3 HN VAL 3 5.966 -8.239 6.950 11 HA VAL 3 HA VAL 3 5.805 -6.081 5.000 12 HB VAL 3 HB VAL 3 7.875 -8.248 5.104 13 1HG1 VAL 3 1HG VAL 3 6.695 -8.570 2.968 14 2HG1 VAL 3 2HG VAL 3 6.944 -6.853 2.571 15 3HG1 VAL 3 3HG VAL 3 8.342 -7.945 2.720 16 1HG2 VAL 3 1HG VAL 3 9.228 -6.510 5.447 17 2HG2 VAL 3 2HG VAL 3 8.747 -5.819 3.878 18 3HG2 VAL 3 3HG VAL 3 7.838 -5.401 5.351 19 H VAL 4 HN VAL 4 4.520 -6.607 3.180 20 HA VAL 4 HA VAL 4 3.387 -9.303 3.181 21 HB VAL 4 HB VAL 4 1.689 -6.827 2.913 22 1HG1 VAL 4 1HG VAL 4 0.499 -8.584 1.984 23 2HG1 VAL 4 2HG VAL 4 1.188 -9.786 3.101 24 3HG1 VAL 4 3HG VAL 4 -0.046 -8.639 3.677 25 1HG2 VAL 4 1HG VAL 4 1.024 -7.003 5.204 26 2HG2 VAL 4 2HG VAL 4 1.965 -8.497 5.428 27 3HG2 VAL 4 3HG VAL 4 2.803 -6.947 5.175 28 H THR 5 HN THR 5 5.339 -8.913 1.482 29 HA THR 5 HA THR 5 4.621 -7.489 -0.873 30 HB THR 5 HB THR 5 6.747 -9.562 -0.143 31 HG1 THR 5 HG1 THR 5 7.976 -7.504 -0.294 32 1HG2 THR 5 1HG THR 5 7.072 -9.784 -2.415 33 2HG2 THR 5 2HG THR 5 5.988 -8.422 -2.784 34 3HG2 THR 5 3HG THR 5 7.680 -8.113 -2.329 35 H TYR 6 HN TYR 6 2.791 -8.013 -1.940 36 HA TYR 6 HA TYR 6 2.005 -10.771 -2.157 37 1HB TYR 6 2HB TYR 6 1.082 -8.024 -3.175 38 2HB TYR 6 3HB TYR 6 0.255 -9.483 -3.684 39 HD1 TYR 6 HD1 TYR 6 0.222 -6.875 -1.351 40 HD2 TYR 6 HD2 TYR 6 -0.454 -11.089 -1.639 41 HE1 TYR 6 HE1 TYR 6 -1.222 -6.793 0.740 42 HE2 TYR 6 HE2 TYR 6 -1.897 -10.994 0.452 43 HH TYR 6 HH TYR 6 -3.289 -8.483 1.565 44 H GLU 7 HN GLU 7 2.718 -12.156 -3.693 45 HA GLU 7 HA GLU 7 3.981 -10.976 -6.016 46 1HB GLU 7 2HB GLU 7 4.134 -13.673 -4.659 47 2HB GLU 7 3HB GLU 7 4.615 -13.532 -6.338 48 1HG GLU 7 2HG GLU 7 5.930 -11.364 -5.275 49 2HG GLU 7 3HG GLU 7 5.928 -12.433 -3.887 50 H ASN 8 HN ASN 8 3.076 -11.075 -8.049 51 HA ASN 8 HA ASN 8 0.896 -12.965 -8.389 52 1HB ASN 8 2HB ASN 8 -0.176 -11.043 -9.844 53 2HB ASN 8 3HB ASN 8 -0.366 -10.979 -8.103 54 1HD2 ASN 8 1HD ASN 8 0.212 -9.214 -7.078 55 2HD2 ASN 8 2HD ASN 8 1.220 -7.941 -7.680 56 H LYS 9 HN LYS 9 0.272 -12.759 -10.989 57 HA LYS 9 HA LYS 9 2.730 -13.365 -12.334 58 1HB LYS 9 2HB LYS 9 0.072 -14.187 -12.539 59 2HB LYS 9 3HB LYS 9 0.331 -13.247 -13.995 60 1HG LYS 9 2HG LYS 9 1.710 -14.823 -14.895 61 2HG LYS 9 3HG LYS 9 2.639 -14.974 -13.418 62 1HD LYS 9 2HD LYS 9 -0.005 -16.124 -13.014 63 2HD LYS 9 3HD LYS 9 0.711 -16.808 -14.461 64 1HE LYS 9 2HE LYS 9 1.467 -18.220 -12.689 65 2HE LYS 9 3HE LYS 9 2.847 -17.206 -13.065 66 1HZ LYS 9 1HZ LYS 9 2.555 -17.205 -10.748 67 2HZ LYS 9 2HZ LYS 9 2.068 -15.730 -11.253 68 3HZ LYS 9 3HZ LYS 9 0.962 -16.859 -10.843 69 H LYS 10 HN LYS 10 0.743 -10.566 -11.802 70 HA LYS 10 HA LYS 10 1.966 -9.248 -14.118 71 1HB LYS 10 2HB LYS 10 -0.469 -9.190 -14.100 72 2HB LYS 10 3HB LYS 10 -0.481 -8.522 -12.480 73 1HG LYS 10 2HG LYS 10 -0.207 -6.421 -13.287 74 2HG LYS 10 3HG LYS 10 1.253 -6.890 -14.134 75 1HD LYS 10 2HD LYS 10 -1.456 -7.622 -15.286 76 2HD LYS 10 3HD LYS 10 -0.827 -6.002 -15.506 77 1HE LYS 10 2HE LYS 10 0.927 -6.708 -16.879 78 2HE LYS 10 3HE LYS 10 1.042 -8.281 -16.114 79 1HZ LYS 10 1HZ LYS 10 -0.187 -7.781 -18.440 80 2HZ LYS 10 2HZ LYS 10 -0.426 -9.114 -17.528 81 3HZ LYS 10 3HZ LYS 10 -1.454 -7.850 -17.413 82 H GLY 11 HN GLY 11 3.833 -9.729 -12.262 83 1HA GLY 11 1HA GLY 11 5.479 -8.329 -11.404 84 2HA GLY 11 2HA GLY 11 4.293 -7.068 -11.134 85 H ASN 12 HN ASN 12 4.619 -6.678 -8.933 86 HA ASN 12 HA ASN 12 3.282 -8.239 -7.148 87 1HB ASN 12 2HB ASN 12 5.185 -9.214 -5.797 88 2HB ASN 12 3HB ASN 12 5.028 -9.955 -7.377 89 1HD2 ASN 12 1HD ASN 12 6.695 -9.981 -8.710 90 2HD2 ASN 12 2HD ASN 12 8.186 -9.122 -8.512 91 H VAL 13 HN VAL 13 2.912 -6.823 -5.409 92 HA VAL 13 HA VAL 13 4.501 -4.409 -5.334 93 HB VAL 13 HB VAL 13 2.766 -3.509 -4.047 94 1HG1 VAL 13 1HG VAL 13 2.190 -4.016 -6.431 95 2HG1 VAL 13 2HG VAL 13 1.377 -5.498 -5.871 96 3HG1 VAL 13 3HG VAL 13 0.779 -3.904 -5.351 97 1HG2 VAL 13 1HG VAL 13 0.862 -5.298 -3.352 98 2HG2 VAL 13 2HG VAL 13 2.308 -6.327 -3.221 99 3HG2 VAL 13 3HG VAL 13 2.200 -4.819 -2.281 100 H THR 14 HN THR 14 6.018 -3.897 -3.804 101 HA THR 14 HA THR 14 6.691 -6.016 -1.925 102 HB THR 14 HB THR 14 8.060 -3.455 -2.892 103 HG1 THR 14 HG1 THR 14 9.424 -5.193 -3.812 104 1HG2 THR 14 1HG THR 14 10.090 -4.678 -1.764 105 2HG2 THR 14 2HG THR 14 9.002 -3.745 -0.709 106 3HG2 THR 14 3HG THR 14 8.856 -5.517 -0.793 107 H PHE 15 HN PHE 15 4.199 -4.759 -1.388 108 HA PHE 15 HA PHE 15 4.152 -2.624 0.242 109 1HB PHE 15 2HB PHE 15 2.189 -4.011 -0.403 110 2HB PHE 15 3HB PHE 15 2.828 -5.388 0.472 111 HD1 PHE 15 HD1 PHE 15 0.840 -2.406 0.680 112 HD2 PHE 15 HD2 PHE 15 2.942 -5.274 2.994 113 HE1 PHE 15 HE1 PHE 15 -0.452 -1.711 2.716 114 HE2 PHE 15 HE2 PHE 15 1.651 -4.580 5.030 115 HZ PHE 15 HZ PHE 15 -0.032 -2.806 4.866 116 H ASP 16 HN ASP 16 4.150 -2.324 2.601 117 HA ASP 16 HA ASP 16 5.641 -4.365 4.016 118 1HB ASP 16 2HB ASP 16 6.324 -1.426 4.357 119 2HB ASP 16 3HB ASP 16 7.254 -2.817 4.877 120 H HIS 17 HN HIS 17 5.284 -4.219 6.391 121 HA HIS 17 HA HIS 17 2.951 -2.568 7.024 122 1HB HIS 17 2HB HIS 17 3.019 -5.231 7.100 123 2HB HIS 17 3HB HIS 17 3.718 -4.936 8.680 124 HD1 HIS 17 HD1 HIS 17 1.169 -6.290 8.970 125 HD2 HIS 17 HD2 HIS 17 1.294 -2.140 8.376 126 HE1 HIS 17 HE1 HIS 17 -1.059 -5.380 9.816 127 H LYS 18 HN LYS 18 6.012 -3.955 8.394 128 HA LYS 18 HA LYS 18 5.956 -1.904 10.449 129 1HB LYS 18 2HB LYS 18 6.428 -4.252 11.056 130 2HB LYS 18 3HB LYS 18 7.843 -4.240 10.022 131 1HG LYS 18 2HG LYS 18 8.295 -1.977 11.542 132 2HG LYS 18 3HG LYS 18 7.435 -2.977 12.695 133 1HD LYS 18 2HD LYS 18 9.570 -3.780 13.083 134 2HD LYS 18 3HD LYS 18 9.124 -4.867 11.785 135 1HE LYS 18 2HE LYS 18 10.756 -4.034 10.444 136 2HE LYS 18 3HE LYS 18 10.148 -2.402 10.635 137 1HZ LYS 18 1HZ LYS 18 11.297 -2.633 12.932 138 2HZ LYS 18 2HZ LYS 18 12.186 -3.774 12.174 139 3HZ LYS 18 3HZ LYS 18 12.169 -2.242 11.608 140 H ALA 19 HN ALA 19 7.725 -2.889 7.498 141 HA ALA 19 HA ALA 19 9.826 -1.030 7.822 142 1HB ALA 19 1HB ALA 19 10.599 -1.999 5.918 143 2HB ALA 19 2HB ALA 19 9.294 -3.178 6.198 144 3HB ALA 19 3HB ALA 19 9.042 -1.819 5.075 145 H HIS 20 HN HIS 20 6.472 -0.813 6.787 146 HA HIS 20 HA HIS 20 6.937 1.708 5.455 147 1HB HIS 20 2HB HIS 20 4.863 -0.332 5.488 148 2HB HIS 20 3HB HIS 20 4.180 1.268 5.692 149 HD1 HIS 20 HD1 HIS 20 7.085 0.107 3.461 150 HD2 HIS 20 HD2 HIS 20 3.347 1.994 3.197 151 HE1 HIS 20 HE1 HIS 20 6.782 0.754 1.012 152 H ALA 21 HN ALA 21 5.230 0.402 8.370 153 HA ALA 21 HA ALA 21 4.130 2.689 9.334 154 1HB ALA 21 1HB ALA 21 5.176 0.144 10.460 155 2HB ALA 21 2HB ALA 21 4.980 1.474 11.625 156 3HB ALA 21 3HB ALA 21 3.588 0.919 10.666 157 H GLU 22 HN GLU 22 7.503 1.483 9.960 158 HA GLU 22 HA GLU 22 8.318 3.533 11.534 159 1HB GLU 22 2HB GLU 22 10.554 2.837 11.048 160 2HB GLU 22 3HB GLU 22 9.568 1.395 10.906 161 1HG GLU 22 2HG GLU 22 9.435 1.791 8.405 162 2HG GLU 22 3HG GLU 22 10.532 3.144 8.595 163 H LYS 23 HN LYS 23 7.495 3.593 8.145 164 HA LYS 23 HA LYS 23 8.883 6.149 7.809 165 1HB LYS 23 2HB LYS 23 7.561 4.468 5.666 166 2HB LYS 23 3HB LYS 23 8.660 5.816 5.447 167 1HG LYS 23 2HG LYS 23 9.409 3.212 6.861 168 2HG LYS 23 3HG LYS 23 9.749 3.545 5.173 169 1HD LYS 23 2HD LYS 23 10.691 5.404 7.397 170 2HD LYS 23 3HD LYS 23 11.641 4.024 6.885 171 1HE LYS 23 2HE LYS 23 12.099 4.935 4.772 172 2HE LYS 23 3HE LYS 23 10.634 5.895 4.745 173 1HZ LYS 23 1HZ LYS 23 11.674 7.563 5.731 174 2HZ LYS 23 2HZ LYS 23 12.383 6.622 6.862 175 3HZ LYS 23 3HZ LYS 23 13.078 6.798 5.395 176 H LEU 24 HN LEU 24 5.735 4.577 8.140 177 HA LEU 24 HA LEU 24 4.407 7.079 7.430 178 1HB LEU 24 2HB LEU 24 3.147 4.416 8.070 179 2HB LEU 24 3HB LEU 24 2.394 5.808 7.319 180 HG LEU 24 HG LEU 24 4.070 3.682 6.139 181 1HD1 LEU 24 1HD LEU 24 2.418 5.286 4.355 182 2HD1 LEU 24 2HD LEU 24 2.356 3.546 4.725 183 3HD1 LEU 24 3HD LEU 24 1.517 4.710 5.778 184 1HD2 LEU 24 1HD LEU 24 4.674 5.372 4.237 185 2HD2 LEU 24 2HD LEU 24 4.570 6.580 5.541 186 3HD2 LEU 24 3HD LEU 24 5.717 5.225 5.673 187 H GLY 25 HN GLY 25 2.422 5.335 9.491 188 1HA GLY 25 1HA GLY 25 3.396 5.819 12.045 189 2HA GLY 25 2HA GLY 25 2.574 7.284 11.543 190 H CYS 26 HN CYS 26 1.718 3.960 10.464 191 HA CYS 26 HA CYS 26 -0.095 2.751 10.708 192 1HB CYS 26 2HB CYS 26 -1.036 3.970 13.230 193 2HB CYS 26 3HB CYS 26 -0.828 2.286 12.793 194 H ASP 27 HN ASP 27 -1.191 5.755 12.444 195 HA ASP 27 HA ASP 27 -3.648 5.919 11.479 196 1HB ASP 27 2HB ASP 27 -1.984 7.597 12.885 197 2HB ASP 27 3HB ASP 27 -2.158 8.514 11.402 198 H ALA 28 HN ALA 28 -0.615 6.440 9.738 199 HA ALA 28 HA ALA 28 -1.458 8.054 7.653 200 1HB ALA 28 1HB ALA 28 0.638 7.653 6.880 201 2HB ALA 28 2HB ALA 28 0.865 6.804 8.428 202 3HB ALA 28 3HB ALA 28 0.436 5.887 6.965 203 H CYS 29 HN CYS 29 -1.767 4.512 8.196 204 HA CYS 29 HA CYS 29 -3.252 4.363 5.683 205 1HB CYS 29 2HB CYS 29 -2.095 2.123 7.356 206 2HB CYS 29 3HB CYS 29 -2.935 1.941 5.829 207 H HIS 30 HN HIS 30 -3.253 3.305 9.163 208 HA HIS 30 HA HIS 30 -6.101 2.808 8.966 209 1HB HIS 30 2HB HIS 30 -4.219 2.392 11.304 210 2HB HIS 30 3HB HIS 30 -5.870 1.819 11.180 211 HD1 HIS 30 HD1 HIS 30 -6.243 -0.433 10.081 212 HD2 HIS 30 HD2 HIS 30 -2.389 1.082 9.415 213 HE1 HIS 30 HE1 HIS 30 -4.924 -2.305 8.956 214 H GLU 31 HN GLU 31 -7.042 3.467 11.477 215 HA GLU 31 HA GLU 31 -6.259 5.850 12.526 216 1HB GLU 31 2HB GLU 31 -6.685 7.005 10.462 217 2HB GLU 31 3HB GLU 31 -8.213 6.183 10.222 218 1HG GLU 31 2HG GLU 31 -9.025 7.296 12.396 219 2HG GLU 31 3HG GLU 31 -7.563 8.262 12.357 220 H GLY 32 HN GLY 32 -7.079 5.459 14.534 221 1HA GLY 32 1HA GLY 32 -8.969 5.577 15.958 222 2HA GLY 32 2HA GLY 32 -9.945 4.800 14.727 223 H THR 33 HN THR 33 -8.874 2.524 13.972 224 HA THR 33 HA THR 33 -7.537 1.104 16.062 225 HB THR 33 HB THR 33 -10.545 0.905 15.680 226 HG1 THR 33 HG1 THR 33 -10.195 0.795 18.067 227 1HG2 THR 33 1HG THR 33 -10.081 -1.191 17.305 228 2HG2 THR 33 2HG THR 33 -10.173 -1.411 15.542 229 3HG2 THR 33 3HG THR 33 -8.588 -1.302 16.343 230 HA PRO 34 HA PRO 34 -6.563 -0.787 12.261 231 1HB PRO 34 2HB PRO 34 -4.273 -2.019 13.102 232 2HB PRO 34 3HB PRO 34 -4.311 -0.372 12.504 233 1HG PRO 34 2HG PRO 34 -4.051 -1.327 15.289 234 2HG PRO 34 3HG PRO 34 -3.671 0.252 14.630 235 1HD PRO 34 2HD PRO 34 -5.980 -0.451 16.180 236 2HD PRO 34 3HD PRO 34 -5.656 1.096 15.423 237 H ALA 35 HN ALA 35 -7.743 -2.401 11.476 238 HA ALA 35 HA ALA 35 -7.643 -4.855 13.085 239 1HB ALA 35 1HB ALA 35 -9.797 -3.420 13.298 240 2HB ALA 35 2HB ALA 35 -10.133 -3.936 11.628 241 3HB ALA 35 3HB ALA 35 -9.977 -5.150 12.921 242 H LYS 36 HN LYS 36 -8.301 -3.269 9.904 243 HA LYS 36 HA LYS 36 -6.673 -4.987 8.482 244 1HB LYS 36 2HB LYS 36 -7.909 -6.732 7.740 245 2HB LYS 36 3HB LYS 36 -8.734 -6.502 9.268 246 1HG LYS 36 2HG LYS 36 -10.146 -4.731 7.754 247 2HG LYS 36 3HG LYS 36 -9.657 -5.839 6.489 248 1HD LYS 36 2HD LYS 36 -10.521 -7.426 8.733 249 2HD LYS 36 3HD LYS 36 -11.729 -6.183 8.476 250 1HE LYS 36 2HE LYS 36 -11.425 -6.884 5.902 251 2HE LYS 36 3HE LYS 36 -10.834 -8.378 6.603 252 1HZ LYS 36 1HZ LYS 36 -12.937 -8.271 7.988 253 2HZ LYS 36 2HZ LYS 36 -13.475 -7.168 6.910 254 3HZ LYS 36 3HZ LYS 36 -13.096 -8.678 6.414 255 H ILE 37 HN ILE 37 -6.842 -4.584 6.110 256 HA ILE 37 HA ILE 37 -8.357 -2.118 5.601 257 HB ILE 37 HB ILE 37 -5.605 -2.819 4.572 258 1HG1 ILE 37 2HG ILE 37 -6.490 -0.939 6.774 259 2HG1 ILE 37 3HG ILE 37 -5.440 -2.334 6.920 260 1HG2 ILE 37 1HG ILE 37 -6.076 -1.358 2.963 261 2HG2 ILE 37 2HG ILE 37 -7.607 -0.882 3.739 262 3HG2 ILE 37 3HG ILE 37 -6.082 -0.100 4.223 263 1HD1 ILE 37 1HD ILE 37 -4.045 -0.989 5.026 264 2HD1 ILE 37 2HD ILE 37 -4.844 0.389 5.821 265 3HD1 ILE 37 3HD ILE 37 -3.808 -0.707 6.768 266 H ALA 38 HN ALA 38 -8.200 -5.373 5.036 267 HA ALA 38 HA ALA 38 -8.802 -6.731 3.381 268 1HB ALA 38 1HB ALA 38 -11.008 -6.262 3.406 269 2HB ALA 38 2HB ALA 38 -10.711 -4.512 3.538 270 3HB ALA 38 3HB ALA 38 -10.715 -5.297 1.940 271 H ILE 39 HN ILE 39 -6.972 -7.012 2.104 272 HA ILE 39 HA ILE 39 -6.806 -5.200 -0.203 273 HB ILE 39 HB ILE 39 -4.572 -6.572 1.294 274 1HG1 ILE 39 2HG ILE 39 -5.611 -4.552 2.379 275 2HG1 ILE 39 3HG ILE 39 -3.897 -4.430 2.040 276 1HG2 ILE 39 1HG ILE 39 -3.053 -5.820 -0.288 277 2HG2 ILE 39 2HG ILE 39 -4.421 -6.365 -1.287 278 3HG2 ILE 39 3HG ILE 39 -4.186 -4.629 -0.969 279 1HD1 ILE 39 1HD ILE 39 -5.571 -2.458 1.379 280 2HD1 ILE 39 2HD ILE 39 -4.192 -2.869 0.332 281 3HD1 ILE 39 3HD ILE 39 -5.822 -3.462 -0.070 282 H ASP 40 HN ASP 40 -6.771 -6.128 -2.230 283 HA ASP 40 HA ASP 40 -6.170 -8.882 -2.504 284 1HB ASP 40 2HB ASP 40 -8.796 -8.374 -1.828 285 2HB ASP 40 3HB ASP 40 -8.893 -8.279 -3.574 286 H LYS 41 HN LYS 41 -8.386 -6.483 -4.140 287 HA LYS 41 HA LYS 41 -6.554 -5.588 -6.013 288 1HB LYS 41 2HB LYS 41 -6.435 -7.839 -6.879 289 2HB LYS 41 3HB LYS 41 -8.180 -7.962 -6.960 290 1HG LYS 41 2HG LYS 41 -7.524 -5.595 -8.400 291 2HG LYS 41 3HG LYS 41 -6.331 -6.780 -8.888 292 1HD LYS 41 2HD LYS 41 -7.905 -8.183 -9.872 293 2HD LYS 41 3HD LYS 41 -9.172 -7.735 -8.747 294 1HE LYS 41 2HE LYS 41 -9.746 -6.808 -10.925 295 2HE LYS 41 3HE LYS 41 -9.323 -5.475 -9.869 296 1HZ LYS 41 1HZ LYS 41 -7.606 -4.984 -11.147 297 2HZ LYS 41 2HZ LYS 41 -7.064 -6.523 -11.219 298 3HZ LYS 41 3HZ LYS 41 -8.208 -6.011 -12.266 299 H LYS 42 HN LYS 42 -8.254 -4.227 -4.462 300 HA LYS 42 HA LYS 42 -9.940 -2.975 -6.381 301 1HB LYS 42 2HB LYS 42 -11.108 -5.097 -4.930 302 2HB LYS 42 3HB LYS 42 -11.705 -3.628 -4.184 303 1HG LYS 42 2HG LYS 42 -12.552 -2.786 -6.295 304 2HG LYS 42 3HG LYS 42 -11.698 -4.014 -7.207 305 1HD LYS 42 2HD LYS 42 -13.119 -5.718 -5.765 306 2HD LYS 42 3HD LYS 42 -14.148 -4.335 -5.449 307 1HE LYS 42 2HE LYS 42 -13.466 -4.538 -8.306 308 2HE LYS 42 3HE LYS 42 -14.232 -6.002 -7.723 309 1HZ LYS 42 1HZ LYS 42 -15.371 -3.418 -7.012 310 2HZ LYS 42 2HZ LYS 42 -15.665 -4.046 -8.491 311 3HZ LYS 42 3HZ LYS 42 -16.114 -4.866 -7.152 312 H SER 43 HN SER 43 -10.263 -3.265 -2.792 313 HA SER 43 HA SER 43 -10.406 -0.602 -2.345 314 1HB SER 43 2HB SER 43 -10.561 -2.792 -0.777 315 2HB SER 43 3HB SER 43 -8.948 -2.283 -0.320 316 HG SER 43 HG SER 43 -10.406 -0.047 -0.279 317 H ALA 44 HN ALA 44 -7.460 -2.722 -2.307 318 HA ALA 44 HA ALA 44 -5.635 -0.765 -1.583 319 1HB ALA 44 1HB ALA 44 -4.108 -2.427 -1.938 320 2HB ALA 44 2HB ALA 44 -5.567 -3.440 -2.054 321 3HB ALA 44 3HB ALA 44 -4.776 -2.846 -3.533 322 H HIS 45 HN HIS 45 -7.536 -1.116 -4.459 323 HA HIS 45 HA HIS 45 -5.657 0.535 -5.961 324 1HB HIS 45 2HB HIS 45 -7.959 -1.244 -6.736 325 2HB HIS 45 3HB HIS 45 -7.394 0.003 -7.830 326 HD1 HIS 45 HD1 HIS 45 -6.698 -3.429 -6.738 327 HD2 HIS 45 HD2 HIS 45 -4.551 -0.329 -8.574 328 HE1 HIS 45 HE1 HIS 45 -4.628 -4.507 -7.771 329 H LYS 46 HN LYS 46 -8.042 0.951 -3.725 330 HA LYS 46 HA LYS 46 -9.167 3.271 -5.128 331 1HB LYS 46 2HB LYS 46 -10.460 1.167 -3.832 332 2HB LYS 46 3HB LYS 46 -10.517 2.472 -2.664 333 1HG LYS 46 2HG LYS 46 -11.178 3.897 -4.874 334 2HG LYS 46 3HG LYS 46 -11.733 2.324 -5.412 335 1HD LYS 46 2HD LYS 46 -13.099 2.098 -3.321 336 2HD LYS 46 3HD LYS 46 -12.555 3.681 -2.799 337 1HE LYS 46 2HE LYS 46 -13.743 4.805 -4.533 338 2HE LYS 46 3HE LYS 46 -13.880 3.358 -5.512 339 1HZ LYS 46 1HZ LYS 46 -15.942 3.703 -4.504 340 2HZ LYS 46 2HZ LYS 46 -15.282 2.458 -3.680 341 3HZ LYS 46 3HZ LYS 46 -15.306 3.951 -3.021 342 H ASP 47 HN ASP 47 -10.125 4.449 -2.602 343 HA ASP 47 HA ASP 47 -8.144 6.180 -2.109 344 1HB ASP 47 2HB ASP 47 -10.536 5.211 -0.610 345 2HB ASP 47 3HB ASP 47 -9.345 6.032 0.379 346 H ALA 48 HN ALA 48 -8.594 2.875 -0.868 347 HA ALA 48 HA ALA 48 -7.227 2.738 1.420 348 1HB ALA 48 1HB ALA 48 -6.921 0.475 0.934 349 2HB ALA 48 2HB ALA 48 -8.230 0.913 -0.189 350 3HB ALA 48 3HB ALA 48 -6.555 0.786 -0.780 351 H CYS 49 HN CYS 49 -5.606 2.459 -1.830 352 HA CYS 49 HA CYS 49 -3.246 3.629 -0.542 353 1HB CYS 49 2HB CYS 49 -3.377 1.433 -2.615 354 2HB CYS 49 3HB CYS 49 -1.911 2.309 -2.224 355 H LYS 50 HN LYS 50 -3.253 2.787 -3.955 356 HA LYS 50 HA LYS 50 -2.819 4.174 -5.675 357 1HB LYS 50 2HB LYS 50 -5.619 4.195 -4.879 358 2HB LYS 50 3HB LYS 50 -5.200 5.646 -5.767 359 1HG LYS 50 2HG LYS 50 -4.248 2.961 -6.796 360 2HG LYS 50 3HG LYS 50 -5.914 3.435 -7.064 361 1HD LYS 50 2HD LYS 50 -4.005 5.605 -7.689 362 2HD LYS 50 3HD LYS 50 -3.724 4.167 -8.649 363 1HE LYS 50 2HE LYS 50 -6.572 4.589 -8.559 364 2HE LYS 50 3HE LYS 50 -5.829 6.132 -8.931 365 1HZ LYS 50 1HZ LYS 50 -5.414 5.399 -10.948 366 2HZ LYS 50 2HZ LYS 50 -4.555 4.126 -10.391 367 3HZ LYS 50 3HZ LYS 50 -6.166 3.987 -10.619 368 H THR 51 HN THR 51 -4.904 6.652 -4.201 369 HA THR 51 HA THR 51 -3.355 8.788 -4.725 370 HB THR 51 HB THR 51 -4.570 9.829 -2.750 371 HG1 THR 51 HG1 THR 51 -5.518 8.361 -1.318 372 1HG2 THR 51 1HG THR 51 -5.849 8.270 -4.921 373 2HG2 THR 51 2HG THR 51 -6.886 8.435 -3.484 374 3HG2 THR 51 3HG THR 51 -6.263 9.887 -4.303 375 H CYS 52 HN CYS 52 -3.303 7.242 -1.440 376 HA CYS 52 HA CYS 52 -1.150 8.601 -0.503 377 1HB CYS 52 2HB CYS 52 -2.624 7.089 0.798 378 2HB CYS 52 3HB CYS 52 -1.822 5.708 0.076 379 H HIS 53 HN HIS 53 0.564 8.933 -1.976 380 HA HIS 53 HA HIS 53 2.656 7.327 -2.074 381 1HB HIS 53 2HB HIS 53 0.568 6.192 -3.793 382 2HB HIS 53 3HB HIS 53 2.080 6.451 -4.639 383 HD1 HIS 53 HD1 HIS 53 2.199 3.768 -4.745 384 HD2 HIS 53 HD2 HIS 53 2.578 5.470 -0.929 385 HE1 HIS 53 HE1 HIS 53 3.155 1.943 -3.239 386 H LYS 54 HN LYS 54 0.455 9.464 -3.840 387 HA LYS 54 HA LYS 54 2.486 10.449 -5.594 388 1HB LYS 54 2HB LYS 54 -0.327 11.371 -4.955 389 2HB LYS 54 3HB LYS 54 0.708 12.161 -6.127 390 1HG LYS 54 2HG LYS 54 0.890 10.082 -7.442 391 2HG LYS 54 3HG LYS 54 -0.003 9.192 -6.226 392 1HD LYS 54 2HD LYS 54 -1.922 9.735 -7.301 393 2HD LYS 54 3HD LYS 54 -1.656 11.410 -6.858 394 1HE LYS 54 2HE LYS 54 0.085 10.940 -9.058 395 2HE LYS 54 3HE LYS 54 -1.414 10.138 -9.483 396 1HZ LYS 54 1HZ LYS 54 -1.167 12.934 -8.610 397 2HZ LYS 54 2HZ LYS 54 -1.454 12.427 -10.135 398 3HZ LYS 54 3HZ LYS 54 -2.575 12.189 -8.971 399 H SER 55 HN SER 55 3.810 10.550 -3.322 400 HA SER 55 HA SER 55 3.741 13.382 -2.693 401 1HB SER 55 2HB SER 55 2.600 12.082 -0.856 402 2HB SER 55 3HB SER 55 4.082 11.182 -0.607 403 HG SER 55 HG SER 55 3.611 13.199 0.768 404 H ASN 56 HN ASN 56 5.587 10.406 -1.682 405 HA ASN 56 HA ASN 56 8.020 11.861 -2.071 406 1HB ASN 56 2HB ASN 56 7.503 10.153 -0.169 407 2HB ASN 56 3HB ASN 56 7.722 8.900 -1.374 408 1HD2 ASN 56 1HD ASN 56 9.233 11.549 0.354 409 2HD2 ASN 56 2HD ASN 56 10.884 11.086 0.118 410 H ASN 57 HN ASN 57 6.769 8.576 -3.075 411 HA ASN 57 HA ASN 57 8.552 8.617 -5.316 412 1HB ASN 57 2HB ASN 57 7.459 6.313 -5.740 413 2HB ASN 57 3HB ASN 57 8.334 6.474 -4.229 414 1HD2 ASN 57 1HD ASN 57 6.776 4.520 -4.049 415 2HD2 ASN 57 2HD ASN 57 5.274 4.818 -3.243 416 H GLY 58 HN GLY 58 7.242 7.440 -7.404 417 1HA GLY 58 1HA GLY 58 4.707 8.885 -7.804 418 2HA GLY 58 2HA GLY 58 6.023 9.101 -8.941 419 HA PRO 59 HA PRO 59 4.742 4.560 -9.321 420 1HB PRO 59 2HB PRO 59 2.814 3.514 -7.691 421 2HB PRO 59 3HB PRO 59 4.528 3.373 -7.360 422 1HG PRO 59 2HG PRO 59 2.531 5.129 -6.071 423 2HG PRO 59 3HG PRO 59 4.118 4.662 -5.493 424 1HD PRO 59 2HD PRO 59 3.387 7.181 -6.655 425 2HD PRO 59 3HD PRO 59 4.996 6.672 -6.183 426 H THR 60 HN THR 60 3.844 6.554 -10.779 427 HA THR 60 HA THR 60 1.028 6.590 -11.001 428 HB THR 60 HB THR 60 3.339 7.407 -12.835 429 HG1 THR 60 HG1 THR 60 1.424 8.625 -10.979 430 1HG2 THR 60 1HG THR 60 0.877 7.012 -13.867 431 2HG2 THR 60 2HG THR 60 0.552 8.553 -13.038 432 3HG2 THR 60 3HG THR 60 1.823 8.462 -14.281 433 H LYS 61 HN LYS 61 3.510 5.098 -13.196 434 HA LYS 61 HA LYS 61 1.461 3.589 -14.495 435 1HB LYS 61 2HB LYS 61 3.047 3.113 -16.055 436 2HB LYS 61 3HB LYS 61 3.775 4.550 -15.366 437 1HG LYS 61 2HG LYS 61 4.896 2.805 -13.681 438 2HG LYS 61 3HG LYS 61 4.539 1.652 -14.952 439 1HD LYS 61 2HD LYS 61 5.774 4.175 -15.930 440 2HD LYS 61 3HD LYS 61 6.801 3.258 -14.846 441 1HE LYS 61 2HE LYS 61 6.446 1.211 -16.260 442 2HE LYS 61 3HE LYS 61 5.449 2.149 -17.354 443 1HZ LYS 61 1HZ LYS 61 7.302 2.729 -18.359 444 2HZ LYS 61 2HZ LYS 61 7.783 3.555 -17.035 445 3HZ LYS 61 3HZ LYS 61 8.238 2.000 -17.237 446 H CYS 62 HN CYS 62 1.331 1.232 -14.548 447 HA CYS 62 HA CYS 62 1.023 0.058 -12.175 448 1HB CYS 62 2HB CYS 62 1.989 -1.308 -14.696 449 2HB CYS 62 3HB CYS 62 1.284 -2.120 -13.312 450 H GLY 63 HN GLY 63 4.025 -0.076 -14.229 451 1HA GLY 63 1HA GLY 63 5.708 -1.612 -12.854 452 2HA GLY 63 2HA GLY 63 6.199 -0.086 -13.560 453 H GLY 64 HN GLY 64 4.443 1.559 -11.764 454 1HA GLY 64 1HA GLY 64 6.196 2.278 -9.807 455 2HA GLY 64 2HA GLY 64 4.462 2.510 -9.721 456 H CYS 65 HN CYS 65 3.115 0.592 -8.930 457 HA CYS 65 HA CYS 65 4.331 -0.383 -6.549 458 1HB CYS 65 2HB CYS 65 1.608 -0.518 -7.779 459 2HB CYS 65 3HB CYS 65 2.016 -1.655 -6.509 460 H HIS 66 HN HIS 66 2.803 -1.920 -9.482 461 HA HIS 66 HA HIS 66 3.933 -4.452 -8.801 462 1HB HIS 66 2HB HIS 66 2.380 -3.459 -11.204 463 2HB HIS 66 3HB HIS 66 2.932 -5.113 -11.025 464 HD1 HIS 66 HD1 HIS 66 1.246 -6.652 -10.024 465 HD2 HIS 66 HD2 HIS 66 0.684 -2.685 -8.783 466 HE1 HIS 66 HE1 HIS 66 -0.846 -6.649 -8.564 467 H ILE 67 HN ILE 67 6.198 -4.227 -8.765 468 HA ILE 67 HA ILE 67 7.678 -2.877 -10.678 469 HB ILE 67 HB ILE 67 8.407 -5.235 -8.938 470 1HG1 ILE 67 2HG ILE 67 7.530 -3.128 -7.823 471 2HG1 ILE 67 3HG ILE 67 9.105 -3.696 -7.305 472 1HG2 ILE 67 1HG ILE 67 10.008 -3.551 -10.812 473 2HG2 ILE 67 2HG ILE 67 10.744 -4.021 -9.260 474 3HG2 ILE 67 3HG ILE 67 10.167 -5.273 -10.388 475 1HD1 ILE 67 1HD ILE 67 9.011 -1.207 -7.712 476 2HD1 ILE 67 2HD ILE 67 10.242 -2.037 -8.694 477 3HD1 ILE 67 3HD ILE 67 8.700 -1.545 -9.432 478 H LYS 68 HN LYS 68 6.919 -3.259 -12.790 479 HA LYS 68 HA LYS 68 6.308 -5.674 -13.899 480 1HB LYS 68 2HB LYS 68 7.017 -2.997 -14.836 481 2HB LYS 68 3HB LYS 68 7.516 -4.245 -15.961 482 1HG LYS 68 2HG LYS 68 4.724 -4.210 -14.745 483 2HG LYS 68 3HG LYS 68 5.104 -3.318 -16.205 484 1HD LYS 68 2HD LYS 68 5.986 -5.510 -17.200 485 2HD LYS 68 3HD LYS 68 5.347 -6.333 -15.791 486 1HE LYS 68 2HE LYS 68 3.612 -6.522 -17.412 487 2HE LYS 68 3HE LYS 68 3.069 -5.234 -16.356 488 1HZ LYS 68 1HZ LYS 68 3.093 -3.872 -18.066 489 2HZ LYS 68 2HZ LYS 68 4.671 -4.161 -18.375 490 3HZ LYS 68 3HZ LYS 68 3.520 -5.093 -19.063 491 HHA HEC 98 HGM HEC 98 -4.416 -4.984 8.340 492 HHB HEC 98 HDM HEC 98 -2.118 -2.158 13.411 493 HHC HEC 98 HAM HEC 98 1.526 1.399 9.646 494 HHD HEC 98 HBM HEC 98 -1.215 -1.208 4.695 495 1HMA HEC 98 1HM HEC 98 -3.410 -3.726 14.131 496 2HMA HEC 98 2HM HEC 98 -4.562 -4.980 13.611 497 3HMA HEC 98 3HM HEC 98 -2.829 -5.363 13.740 498 1HAA HEC 98 1HA HEC 98 -5.002 -6.354 11.740 499 2HAA HEC 98 2HA HEC 98 -5.443 -5.833 10.096 500 1HBA HEC 98 3HB HEC 98 -4.403 -7.851 9.524 501 2HBA HEC 98 4HB HEC 98 -2.947 -6.829 9.576 502 1HMB HEC 98 1HM HEC 98 -0.903 1.043 14.541 503 2HMB HEC 98 2HM HEC 98 -1.655 -0.570 14.562 504 3HMB HEC 98 3HM HEC 98 0.083 -0.393 14.905 505 HAB HEC 98 HT2 HEC 98 1.880 2.029 11.524 506 1HBB HEC 98 1HT HEC 98 3.066 0.128 12.582 507 2HBB HEC 98 2HT HEC 98 3.539 1.788 13.014 508 3HBB HEC 98 3HT HEC 98 2.553 0.825 14.139 509 1HMC HEC 98 1HM HEC 98 2.607 2.353 6.283 510 2HMC HEC 98 2HM HEC 98 1.682 3.169 7.565 511 3HMC HEC 98 3HM HEC 98 2.890 1.934 7.989 512 HAC HEC 98 HT4 HEC 98 -0.576 0.997 4.185 513 1HBC HEC 98 1HT HEC 98 2.431 0.569 4.245 514 2HBC HEC 98 2HT HEC 98 1.185 -0.432 3.464 515 3HBC HEC 98 3HT HEC 98 1.584 1.170 2.801 516 1HMD HEC 98 1HM HEC 98 -2.379 -3.770 3.186 517 2HMD HEC 98 2HM HEC 98 -3.916 -2.878 3.287 518 3HMD HEC 98 3HM HEC 98 -2.371 -1.994 3.299 519 1HAD HEC 98 1HA HEC 98 -4.548 -5.796 6.225 520 2HAD HEC 98 2HA HEC 98 -5.032 -4.840 4.804 521 1HBD HEC 98 3HB HEC 98 -3.770 -7.065 4.467 522 2HBD HEC 98 4HB HEC 98 -3.290 -5.643 3.510 523 HHA HEC 128 HGM HEC 128 7.936 3.406 -0.473 524 HHB HEC 128 HDM HEC 128 3.864 -0.766 -2.708 525 HHC HEC 128 HAM HEC 128 -0.616 1.804 0.957 526 HHD HEC 128 HBM HEC 128 3.468 6.167 2.720 527 1HMA HEC 128 1HM HEC 128 7.195 -1.743 -2.369 528 2HMA HEC 128 2HM HEC 128 5.738 -1.440 -3.344 529 3HMA HEC 128 3HM HEC 128 7.290 -0.711 -3.816 530 1HAA HEC 128 1HA HEC 128 9.120 1.860 -0.921 531 2HAA HEC 128 2HA HEC 128 9.181 0.183 -1.513 532 1HBA HEC 128 3HB HEC 128 8.396 1.219 -3.821 533 2HBA HEC 128 4HB HEC 128 8.950 2.763 -3.132 534 1HMB HEC 128 1HM HEC 128 0.305 -1.204 -3.484 535 2HMB HEC 128 2HM HEC 128 2.075 -1.250 -3.658 536 3HMB HEC 128 3HM HEC 128 1.259 -2.398 -2.570 537 HAB HEC 128 HT2 HEC 128 -1.459 0.179 0.079 538 1HBB HEC 128 1HT HEC 128 -1.112 -1.893 0.739 539 2HBB HEC 128 2HT HEC 128 -2.239 -2.127 -0.619 540 3HBB HEC 128 3HT HEC 128 -0.502 -2.443 -0.841 541 1HMC HEC 128 1HM HEC 128 -2.001 3.718 1.610 542 2HMC HEC 128 2HM HEC 128 -1.514 2.790 3.048 543 3HMC HEC 128 3HM HEC 128 -1.721 4.553 3.156 544 HAC HEC 128 HT4 HEC 128 1.509 6.781 3.468 545 1HBC HEC 128 1HT HEC 128 -0.527 5.188 4.596 546 2HBC HEC 128 2HT HEC 128 0.049 6.768 5.179 547 3HBC HEC 128 3HT HEC 128 -1.341 6.681 4.070 548 1HMD HEC 128 1HM HEC 128 4.991 7.285 3.366 549 2HMD HEC 128 2HM HEC 128 6.768 7.209 3.295 550 3HMD HEC 128 3HM HEC 128 5.863 8.082 2.034 551 1HAD HEC 128 1HA HEC 128 8.373 6.453 2.153 552 2HAD HEC 128 2HA HEC 128 8.839 4.754 1.904 553 1HBD HEC 128 3HB HEC 128 9.313 5.066 -0.320 554 2HBD HEC 128 4HB HEC 128 8.237 6.478 -0.464 555 HHA HEC 158 HGM HEC 158 -3.034 -7.297 -6.328 556 HHB HEC 158 HDM HEC 158 -3.045 -5.647 -12.348 557 HHC HEC 158 HAM HEC 158 -1.578 0.267 -10.617 558 HHD HEC 158 HBM HEC 158 -1.162 -1.671 -4.710 559 1HMA HEC 158 1HM HEC 158 -4.782 -8.872 -11.005 560 2HMA HEC 158 2HM HEC 158 -4.784 -7.418 -12.032 561 3HMA HEC 158 3HM HEC 158 -3.325 -8.431 -11.926 562 1HAA HEC 158 1HA HEC 158 -4.095 -8.672 -7.111 563 2HAA HEC 158 2HA HEC 158 -5.294 -8.949 -8.396 564 1HBA HEC 158 3HB HEC 158 -2.942 -9.689 -9.683 565 2HBA HEC 158 4HB HEC 158 -2.598 -10.197 -8.013 566 1HMB HEC 158 1HM HEC 158 -3.155 -4.399 -14.246 567 2HMB HEC 158 2HM HEC 158 -2.292 -2.980 -14.883 568 3HMB HEC 158 3HM HEC 158 -1.376 -4.356 -14.228 569 HAB HEC 158 HT2 HEC 158 -1.057 -0.020 -12.897 570 1HBB HEC 158 1HT HEC 158 -2.841 1.296 -13.835 571 2HBB HEC 158 2HT HEC 158 -3.995 0.045 -13.316 572 3HBB HEC 158 3HT HEC 158 -3.009 0.902 -12.108 573 1HMC HEC 158 1HM HEC 158 -1.724 2.528 -8.687 574 2HMC HEC 158 2HM HEC 158 -0.003 2.433 -8.246 575 3HMC HEC 158 3HM HEC 158 -0.551 1.824 -9.825 576 HAC HEC 158 HT4 HEC 158 -0.055 0.177 -4.870 577 1HBC HEC 158 1HT HEC 158 -1.318 2.648 -6.062 578 2HBC HEC 158 2HT HEC 158 -1.643 1.848 -4.506 579 3HBC HEC 158 3HT HEC 158 -0.159 2.805 -4.721 580 1HMD HEC 158 1HM HEC 158 -2.164 -3.743 -2.176 581 2HMD HEC 158 2HM HEC 158 -0.447 -4.013 -2.559 582 3HMD HEC 158 3HM HEC 158 -1.201 -2.439 -2.913 583 1HAD HEC 158 1HA HEC 158 -2.566 -5.901 -2.561 584 2HAD HEC 158 2HA HEC 158 -3.840 -6.479 -3.662 585 1HBD HEC 158 3HB HEC 158 -1.871 -7.786 -4.780 586 2HBD HEC 158 4HB HEC 158 -1.081 -7.536 -3.206 Start of MODEL 10 1 H ALA 1 HN ALA 1 1.934 -5.878 9.712 2 HA ALA 1 HA ALA 1 1.594 -8.797 9.588 3 1HB ALA 1 1HB ALA 1 0.436 -6.994 7.950 4 2HB ALA 1 2HB ALA 1 1.999 -7.168 7.114 5 3HB ALA 1 3HB ALA 1 0.971 -8.596 7.389 6 H ASP 2 HN ASP 2 3.797 -6.177 9.886 7 HA ASP 2 HA ASP 2 5.956 -6.006 9.794 8 1HB ASP 2 2HB ASP 2 5.607 -8.979 10.167 9 2HB ASP 2 3HB ASP 2 7.218 -8.390 9.810 10 H VAL 3 HN VAL 3 4.754 -5.767 7.296 11 HA VAL 3 HA VAL 3 5.248 -5.713 5.139 12 HB VAL 3 HB VAL 3 7.809 -7.143 5.877 13 1HG1 VAL 3 1HG VAL 3 6.999 -5.528 3.438 14 2HG1 VAL 3 2HG VAL 3 8.671 -6.013 3.809 15 3HG1 VAL 3 3HG VAL 3 7.432 -7.253 3.503 16 1HG2 VAL 3 1HG VAL 3 7.533 -4.163 5.496 17 2HG2 VAL 3 2HG VAL 3 7.244 -4.920 7.082 18 3HG2 VAL 3 3HG VAL 3 8.832 -5.082 6.294 19 H VAL 4 HN VAL 4 4.270 -6.915 3.580 20 HA VAL 4 HA VAL 4 4.393 -9.832 3.919 21 HB VAL 4 HB VAL 4 2.050 -8.108 3.093 22 1HG1 VAL 4 1HG VAL 4 0.788 -10.271 3.068 23 2HG1 VAL 4 2HG VAL 4 2.009 -10.128 1.781 24 3HG1 VAL 4 3HG VAL 4 2.343 -11.126 3.217 25 1HG2 VAL 4 1HG VAL 4 2.690 -8.258 5.570 26 2HG2 VAL 4 2HG VAL 4 1.020 -8.688 5.134 27 3HG2 VAL 4 3HG VAL 4 2.209 -9.969 5.471 28 H THR 5 HN THR 5 4.305 -11.074 1.920 29 HA THR 5 HA THR 5 5.092 -9.457 -0.415 30 HB THR 5 HB THR 5 6.152 -12.088 0.713 31 HG1 THR 5 HG1 THR 5 6.949 -9.827 1.263 32 1HG2 THR 5 1HG THR 5 6.880 -12.741 -1.352 33 2HG2 THR 5 2HG THR 5 5.822 -11.498 -2.061 34 3HG2 THR 5 3HG THR 5 7.518 -11.111 -1.677 35 H TYR 6 HN TYR 6 3.573 -9.428 -1.938 36 HA TYR 6 HA TYR 6 1.939 -11.862 -2.210 37 1HB TYR 6 2HB TYR 6 1.488 -8.846 -2.436 38 2HB TYR 6 3HB TYR 6 0.442 -9.917 -3.347 39 HD1 TYR 6 HD1 TYR 6 1.159 -8.489 -0.105 40 HD2 TYR 6 HD2 TYR 6 -0.965 -11.622 -2.101 41 HE1 TYR 6 HE1 TYR 6 -0.313 -8.807 1.944 42 HE2 TYR 6 HE2 TYR 6 -2.429 -11.928 -0.045 43 HH TYR 6 HH TYR 6 -2.546 -9.659 2.439 44 H GLU 7 HN GLU 7 3.612 -12.741 -3.667 45 HA GLU 7 HA GLU 7 4.415 -11.352 -5.932 46 1HB GLU 7 2HB GLU 7 4.794 -13.965 -4.767 47 2HB GLU 7 3HB GLU 7 4.423 -14.176 -6.467 48 1HG GLU 7 2HG GLU 7 6.303 -11.948 -6.025 49 2HG GLU 7 3HG GLU 7 6.918 -13.457 -5.378 50 H ASN 8 HN ASN 8 3.633 -11.281 -8.070 51 HA ASN 8 HA ASN 8 1.164 -12.731 -8.538 52 1HB ASN 8 2HB ASN 8 0.337 -10.606 -9.769 53 2HB ASN 8 3HB ASN 8 0.326 -10.537 -8.018 54 1HD2 ASN 8 1HD ASN 8 1.278 -8.903 -7.061 55 2HD2 ASN 8 2HD ASN 8 2.431 -7.815 -7.755 56 H LYS 9 HN LYS 9 0.672 -12.786 -10.990 57 HA LYS 9 HA LYS 9 2.771 -13.693 -12.446 58 1HB LYS 9 2HB LYS 9 0.034 -12.736 -13.029 59 2HB LYS 9 3HB LYS 9 1.126 -12.723 -14.398 60 1HG LYS 9 2HG LYS 9 1.260 -15.179 -12.705 61 2HG LYS 9 3HG LYS 9 -0.258 -14.944 -13.546 62 1HD LYS 9 2HD LYS 9 0.828 -15.975 -15.284 63 2HD LYS 9 3HD LYS 9 1.472 -14.373 -15.584 64 1HE LYS 9 2HE LYS 9 3.540 -14.865 -14.471 65 2HE LYS 9 3HE LYS 9 2.878 -16.279 -13.675 66 1HZ LYS 9 1HZ LYS 9 2.648 -17.287 -15.875 67 2HZ LYS 9 2HZ LYS 9 3.375 -15.994 -16.556 68 3HZ LYS 9 3HZ LYS 9 4.202 -16.941 -15.514 69 H LYS 10 HN LYS 10 1.334 -10.362 -12.723 70 HA LYS 10 HA LYS 10 3.026 -9.273 -14.496 71 1HB LYS 10 2HB LYS 10 1.370 -8.300 -12.288 72 2HB LYS 10 3HB LYS 10 2.740 -7.255 -12.603 73 1HG LYS 10 2HG LYS 10 1.481 -8.167 -15.103 74 2HG LYS 10 3HG LYS 10 0.331 -7.347 -14.065 75 1HD LYS 10 2HD LYS 10 1.190 -5.440 -14.997 76 2HD LYS 10 3HD LYS 10 2.475 -5.652 -13.825 77 1HE LYS 10 2HE LYS 10 3.998 -6.413 -15.412 78 2HE LYS 10 3HE LYS 10 2.765 -7.179 -16.393 79 1HZ LYS 10 1HZ LYS 10 2.057 -4.995 -17.104 80 2HZ LYS 10 2HZ LYS 10 3.206 -4.280 -16.190 81 3HZ LYS 10 3HZ LYS 10 3.636 -5.224 -17.451 82 H GLY 11 HN GLY 11 3.651 -8.597 -10.998 83 1HA GLY 11 1HA GLY 11 6.436 -9.434 -11.350 84 2HA GLY 11 2HA GLY 11 6.131 -7.749 -10.977 85 H ASN 12 HN ASN 12 5.063 -7.171 -8.937 86 HA ASN 12 HA ASN 12 4.270 -9.042 -7.085 87 1HB ASN 12 2HB ASN 12 6.234 -8.795 -5.446 88 2HB ASN 12 3HB ASN 12 6.557 -9.803 -6.842 89 1HD2 ASN 12 1HD ASN 12 8.703 -8.976 -5.679 90 2HD2 ASN 12 2HD ASN 12 9.498 -7.671 -6.493 91 H VAL 13 HN VAL 13 3.214 -7.871 -5.407 92 HA VAL 13 HA VAL 13 3.774 -4.986 -5.361 93 HB VAL 13 HB VAL 13 1.598 -5.619 -6.330 94 1HG1 VAL 13 1HG VAL 13 1.112 -6.854 -3.601 95 2HG1 VAL 13 2HG VAL 13 -0.169 -6.511 -4.789 96 3HG1 VAL 13 3HG VAL 13 1.119 -7.677 -5.180 97 1HG2 VAL 13 1HG VAL 13 1.453 -4.200 -3.648 98 2HG2 VAL 13 2HG VAL 13 1.828 -3.462 -5.225 99 3HG2 VAL 13 3HG VAL 13 0.207 -4.131 -4.918 100 H THR 14 HN THR 14 5.438 -6.621 -3.871 101 HA THR 14 HA THR 14 4.708 -7.460 -1.406 102 HB THR 14 HB THR 14 7.181 -5.999 -2.438 103 HG1 THR 14 HG1 THR 14 6.593 -8.723 -1.530 104 1HG2 THR 14 1HG THR 14 6.708 -7.378 0.255 105 2HG2 THR 14 2HG THR 14 8.323 -7.072 -0.427 106 3HG2 THR 14 3HG THR 14 7.263 -5.707 -0.001 107 H PHE 15 HN PHE 15 3.628 -6.648 0.268 108 HA PHE 15 HA PHE 15 3.084 -3.848 0.341 109 1HB PHE 15 2HB PHE 15 2.534 -6.313 2.082 110 2HB PHE 15 3HB PHE 15 2.005 -4.724 2.598 111 HD1 PHE 15 HD1 PHE 15 1.920 -6.582 -0.650 112 HD2 PHE 15 HD2 PHE 15 -0.250 -4.424 2.290 113 HE1 PHE 15 HE1 PHE 15 -0.176 -6.838 -2.007 114 HE2 PHE 15 HE2 PHE 15 -2.345 -4.681 0.933 115 HZ PHE 15 HZ PHE 15 -2.283 -5.885 -1.200 116 H ASP 16 HN ASP 16 3.169 -2.851 2.763 117 HA ASP 16 HA ASP 16 5.719 -3.532 3.943 118 1HB ASP 16 2HB ASP 16 4.896 -0.760 2.970 119 2HB ASP 16 3HB ASP 16 6.197 -1.008 4.118 120 H HIS 17 HN HIS 17 5.468 -3.539 6.196 121 HA HIS 17 HA HIS 17 3.219 -1.987 7.253 122 1HB HIS 17 2HB HIS 17 3.175 -4.658 7.130 123 2HB HIS 17 3HB HIS 17 4.088 -4.498 8.618 124 HD1 HIS 17 HD1 HIS 17 2.777 -4.040 10.728 125 HD2 HIS 17 HD2 HIS 17 0.539 -3.332 7.252 126 HE1 HIS 17 HE1 HIS 17 0.388 -3.578 11.498 127 H LYS 18 HN LYS 18 6.198 -3.783 8.328 128 HA LYS 18 HA LYS 18 6.603 -1.853 10.415 129 1HB LYS 18 2HB LYS 18 7.268 -4.533 10.006 130 2HB LYS 18 3HB LYS 18 8.804 -3.699 9.905 131 1HG LYS 18 2HG LYS 18 7.982 -2.425 12.068 132 2HG LYS 18 3HG LYS 18 6.832 -3.739 12.210 133 1HD LYS 18 2HD LYS 18 8.429 -5.200 12.924 134 2HD LYS 18 3HD LYS 18 9.531 -4.750 11.639 135 1HE LYS 18 2HE LYS 18 9.085 -2.957 14.061 136 2HE LYS 18 3HE LYS 18 10.274 -4.244 14.077 137 1HZ LYS 18 1HZ LYS 18 10.320 -2.434 11.821 138 2HZ LYS 18 2HZ LYS 18 10.845 -1.852 13.252 139 3HZ LYS 18 3HZ LYS 18 11.559 -3.164 12.594 140 H ALA 19 HN ALA 19 7.639 -2.406 7.089 141 HA ALA 19 HA ALA 19 9.921 -0.672 7.323 142 1HB ALA 19 1HB ALA 19 9.630 -2.698 5.764 143 2HB ALA 19 2HB ALA 19 8.578 -1.648 4.784 144 3HB ALA 19 3HB ALA 19 10.284 -1.211 5.036 145 H HIS 20 HN HIS 20 6.473 -0.399 6.782 146 HA HIS 20 HA HIS 20 6.835 2.264 5.654 147 1HB HIS 20 2HB HIS 20 4.716 0.198 5.556 148 2HB HIS 20 3HB HIS 20 4.143 1.849 5.680 149 HD1 HIS 20 HD1 HIS 20 7.340 1.503 3.827 150 HD2 HIS 20 HD2 HIS 20 3.239 1.473 2.945 151 HE1 HIS 20 HE1 HIS 20 7.150 1.806 1.301 152 H ALA 21 HN ALA 21 5.369 0.466 8.412 153 HA ALA 21 HA ALA 21 4.232 2.705 9.648 154 1HB ALA 21 1HB ALA 21 5.233 0.060 10.779 155 2HB ALA 21 2HB ALA 21 4.184 1.210 11.641 156 3HB ALA 21 3HB ALA 21 3.596 0.400 10.169 157 H GLU 22 HN GLU 22 7.504 1.871 9.067 158 HA GLU 22 HA GLU 22 8.577 2.870 11.473 159 1HB GLU 22 2HB GLU 22 10.742 2.746 10.279 160 2HB GLU 22 3HB GLU 22 9.812 1.277 10.058 161 1HG GLU 22 2HG GLU 22 10.289 1.610 7.837 162 2HG GLU 22 3HG GLU 22 8.912 2.693 7.903 163 H LYS 23 HN LYS 23 7.403 4.284 8.471 164 HA LYS 23 HA LYS 23 8.448 6.881 9.368 165 1HB LYS 23 2HB LYS 23 8.415 7.548 6.973 166 2HB LYS 23 3HB LYS 23 9.574 6.286 7.339 167 1HG LYS 23 2HG LYS 23 7.209 4.877 6.722 168 2HG LYS 23 3HG LYS 23 7.222 6.200 5.573 169 1HD LYS 23 2HD LYS 23 9.908 5.191 5.710 170 2HD LYS 23 3HD LYS 23 8.850 3.801 5.585 171 1HE LYS 23 2HE LYS 23 7.667 5.282 3.685 172 2HE LYS 23 3HE LYS 23 9.228 6.078 3.637 173 1HZ LYS 23 1HZ LYS 23 10.098 3.680 3.536 174 2HZ LYS 23 2HZ LYS 23 8.589 3.303 3.039 175 3HZ LYS 23 3HZ LYS 23 9.491 4.362 2.182 176 H LEU 24 HN LEU 24 5.739 5.017 7.911 177 HA LEU 24 HA LEU 24 3.957 7.126 7.657 178 1HB LEU 24 2HB LEU 24 3.672 4.161 8.012 179 2HB LEU 24 3HB LEU 24 2.254 5.191 7.979 180 HG LEU 24 HG LEU 24 3.045 6.060 5.738 181 1HD1 LEU 24 1HD LEU 24 4.705 4.875 4.497 182 2HD1 LEU 24 2HD LEU 24 5.426 5.341 6.057 183 3HD1 LEU 24 3HD LEU 24 4.894 3.664 5.788 184 1HD2 LEU 24 1HD LEU 24 1.393 4.063 6.302 185 2HD2 LEU 24 2HD LEU 24 1.842 4.472 4.629 186 3HD2 LEU 24 3HD LEU 24 2.642 3.116 5.460 187 H GLY 25 HN GLY 25 3.556 4.581 10.193 188 1HA GLY 25 1HA GLY 25 3.783 5.284 12.535 189 2HA GLY 25 2HA GLY 25 2.949 6.763 12.101 190 H CYS 26 HN CYS 26 1.860 3.926 10.387 191 HA CYS 26 HA CYS 26 0.118 2.586 10.606 192 1HB CYS 26 2HB CYS 26 -0.733 3.507 13.298 193 2HB CYS 26 3HB CYS 26 -0.688 1.893 12.617 194 H ASP 27 HN ASP 27 -0.605 5.620 12.500 195 HA ASP 27 HA ASP 27 -3.159 5.955 11.828 196 1HB ASP 27 2HB ASP 27 -1.055 8.170 11.847 197 2HB ASP 27 3HB ASP 27 -2.775 8.406 12.079 198 H ALA 28 HN ALA 28 -0.295 6.259 9.772 199 HA ALA 28 HA ALA 28 -1.305 7.917 7.771 200 1HB ALA 28 1HB ALA 28 1.083 6.757 8.329 201 2HB ALA 28 2HB ALA 28 0.526 5.688 7.019 202 3HB ALA 28 3HB ALA 28 0.677 7.439 6.736 203 H CYS 29 HN CYS 29 -1.611 4.392 8.399 204 HA CYS 29 HA CYS 29 -3.276 4.204 6.007 205 1HB CYS 29 2HB CYS 29 -2.217 1.922 7.676 206 2HB CYS 29 3HB CYS 29 -2.957 1.837 6.091 207 H HIS 30 HN HIS 30 -3.086 3.163 9.492 208 HA HIS 30 HA HIS 30 -5.957 2.804 9.498 209 1HB HIS 30 2HB HIS 30 -3.960 2.356 11.732 210 2HB HIS 30 3HB HIS 30 -5.627 1.820 11.692 211 HD1 HIS 30 HD1 HIS 30 -6.200 -0.272 10.247 212 HD2 HIS 30 HD2 HIS 30 -2.152 0.826 10.160 213 HE1 HIS 30 HE1 HIS 30 -4.950 -2.228 9.186 214 H GLU 31 HN GLU 31 -6.752 3.546 12.012 215 HA GLU 31 HA GLU 31 -5.772 5.974 12.890 216 1HB GLU 31 2HB GLU 31 -6.832 6.556 10.543 217 2HB GLU 31 3HB GLU 31 -8.362 6.423 11.387 218 1HG GLU 31 2HG GLU 31 -7.187 8.013 13.173 219 2HG GLU 31 3HG GLU 31 -6.114 8.399 11.843 220 H GLY 32 HN GLY 32 -6.164 5.276 14.980 221 1HA GLY 32 1HA GLY 32 -7.394 5.008 16.857 222 2HA GLY 32 2HA GLY 32 -8.847 5.389 15.952 223 H THR 33 HN THR 33 -6.585 2.796 16.914 224 HA THR 33 HA THR 33 -6.898 0.609 17.186 225 HB THR 33 HB THR 33 -9.840 1.124 16.514 226 HG1 THR 33 HG1 THR 33 -9.913 1.634 18.799 227 1HG2 THR 33 1HG THR 33 -8.362 -1.216 17.375 228 2HG2 THR 33 2HG THR 33 -9.362 -0.649 18.734 229 3HG2 THR 33 3HG THR 33 -10.122 -1.044 17.173 230 HA PRO 34 HA PRO 34 -6.379 -0.290 12.925 231 1HB PRO 34 2HB PRO 34 -4.365 -2.109 13.248 232 2HB PRO 34 3HB PRO 34 -4.084 -0.389 13.061 233 1HG PRO 34 2HG PRO 34 -3.922 -2.038 15.509 234 2HG PRO 34 3HG PRO 34 -3.248 -0.448 15.210 235 1HD PRO 34 2HD PRO 34 -5.592 -1.057 16.746 236 2HD PRO 34 3HD PRO 34 -4.984 0.538 16.350 237 H ALA 35 HN ALA 35 -6.443 -2.286 11.525 238 HA ALA 35 HA ALA 35 -7.322 -4.671 12.711 239 1HB ALA 35 1HB ALA 35 -9.675 -3.702 11.278 240 2HB ALA 35 2HB ALA 35 -9.554 -4.433 12.897 241 3HB ALA 35 3HB ALA 35 -9.302 -2.683 12.689 242 H LYS 36 HN LYS 36 -8.381 -6.112 10.866 243 HA LYS 36 HA LYS 36 -6.551 -6.064 8.734 244 1HB LYS 36 2HB LYS 36 -7.571 -8.058 8.041 245 2HB LYS 36 3HB LYS 36 -7.722 -8.066 9.786 246 1HG LYS 36 2HG LYS 36 -9.920 -8.557 9.296 247 2HG LYS 36 3HG LYS 36 -10.052 -6.812 9.201 248 1HD LYS 36 2HD LYS 36 -11.011 -7.432 7.159 249 2HD LYS 36 3HD LYS 36 -9.352 -7.151 6.669 250 1HE LYS 36 2HE LYS 36 -9.949 -9.262 5.702 251 2HE LYS 36 3HE LYS 36 -8.920 -9.654 7.065 252 1HZ LYS 36 1HZ LYS 36 -11.253 -10.757 6.714 253 2HZ LYS 36 2HZ LYS 36 -10.645 -10.499 8.208 254 3HZ LYS 36 3HZ LYS 36 -11.755 -9.473 7.589 255 H ILE 37 HN ILE 37 -6.517 -4.520 7.188 256 HA ILE 37 HA ILE 37 -8.868 -3.064 6.526 257 HB ILE 37 HB ILE 37 -6.110 -3.149 5.301 258 1HG1 ILE 37 2HG ILE 37 -7.346 -1.106 7.168 259 2HG1 ILE 37 3HG ILE 37 -6.283 -2.399 7.689 260 1HG2 ILE 37 1HG ILE 37 -7.644 -2.376 3.621 261 2HG2 ILE 37 2HG ILE 37 -8.428 -1.271 4.778 262 3HG2 ILE 37 3HG ILE 37 -6.749 -0.978 4.266 263 1HD1 ILE 37 1HD ILE 37 -5.031 -1.099 5.443 264 2HD1 ILE 37 2HD ILE 37 -5.561 0.154 6.590 265 3HD1 ILE 37 3HD ILE 37 -4.481 -1.152 7.135 266 H ALA 38 HN ALA 38 -9.607 -2.848 4.173 267 HA ALA 38 HA ALA 38 -9.921 -5.564 3.134 268 1HB ALA 38 1HB ALA 38 -11.753 -4.243 1.775 269 2HB ALA 38 2HB ALA 38 -12.039 -4.656 3.482 270 3HB ALA 38 3HB ALA 38 -11.524 -3.012 3.039 271 H ILE 39 HN ILE 39 -7.965 -5.842 1.989 272 HA ILE 39 HA ILE 39 -7.484 -3.864 -0.122 273 HB ILE 39 HB ILE 39 -5.735 -5.669 1.482 274 1HG1 ILE 39 2HG ILE 39 -6.150 -3.151 1.861 275 2HG1 ILE 39 3HG ILE 39 -4.502 -3.750 1.902 276 1HG2 ILE 39 1HG ILE 39 -3.915 -5.427 -0.162 277 2HG2 ILE 39 2HG ILE 39 -5.267 -6.405 -0.782 278 3HG2 ILE 39 3HG ILE 39 -5.069 -4.719 -1.318 279 1HD1 ILE 39 1HD ILE 39 -4.175 -3.055 -0.467 280 2HD1 ILE 39 2HD ILE 39 -5.849 -2.453 -0.514 281 3HD1 ILE 39 3HD ILE 39 -4.653 -1.679 0.554 282 H ASP 40 HN ASP 40 -7.488 -4.468 -2.283 283 HA ASP 40 HA ASP 40 -7.290 -7.048 -3.176 284 1HB ASP 40 2HB ASP 40 -9.907 -6.436 -2.098 285 2HB ASP 40 3HB ASP 40 -10.060 -6.607 -3.835 286 H LYS 41 HN LYS 41 -8.357 -7.129 -5.589 287 HA LYS 41 HA LYS 41 -7.426 -4.796 -6.899 288 1HB LYS 41 2HB LYS 41 -8.895 -7.236 -7.942 289 2HB LYS 41 3HB LYS 41 -8.169 -5.999 -8.947 290 1HG LYS 41 2HG LYS 41 -6.166 -7.044 -8.782 291 2HG LYS 41 3HG LYS 41 -6.165 -6.766 -7.051 292 1HD LYS 41 2HD LYS 41 -7.974 -8.966 -7.722 293 2HD LYS 41 3HD LYS 41 -6.382 -9.265 -8.391 294 1HE LYS 41 2HE LYS 41 -5.496 -9.684 -6.336 295 2HE LYS 41 3HE LYS 41 -6.162 -8.206 -5.668 296 1HZ LYS 41 1HZ LYS 41 -8.303 -9.842 -6.015 297 2HZ LYS 41 2HZ LYS 41 -7.140 -10.841 -5.454 298 3HZ LYS 41 3HZ LYS 41 -7.558 -9.513 -4.600 299 H LYS 42 HN LYS 42 -9.043 -3.526 -5.333 300 HA LYS 42 HA LYS 42 -11.117 -2.610 -7.082 301 1HB LYS 42 2HB LYS 42 -11.756 -4.542 -5.025 302 2HB LYS 42 3HB LYS 42 -12.541 -3.015 -4.677 303 1HG LYS 42 2HG LYS 42 -13.900 -3.125 -6.537 304 2HG LYS 42 3HG LYS 42 -12.651 -3.833 -7.542 305 1HD LYS 42 2HD LYS 42 -13.148 -6.022 -6.879 306 2HD LYS 42 3HD LYS 42 -13.758 -5.529 -5.311 307 1HE LYS 42 2HE LYS 42 -15.772 -6.033 -6.364 308 2HE LYS 42 3HE LYS 42 -15.655 -4.332 -6.767 309 1HZ LYS 42 1HZ LYS 42 -15.868 -6.345 -8.534 310 2HZ LYS 42 2HZ LYS 42 -15.390 -4.825 -8.893 311 3HZ LYS 42 3HZ LYS 42 -14.276 -5.987 -8.617 312 H SER 43 HN SER 43 -9.849 -2.612 -3.682 313 HA SER 43 HA SER 43 -10.178 0.275 -3.729 314 1HB SER 43 2HB SER 43 -10.532 -1.769 -1.707 315 2HB SER 43 3HB SER 43 -9.310 -0.640 -1.155 316 HG SER 43 HG SER 43 -11.669 -0.135 -0.689 317 H ALA 44 HN ALA 44 -7.829 -2.402 -3.340 318 HA ALA 44 HA ALA 44 -5.647 -0.975 -2.438 319 1HB ALA 44 1HB ALA 44 -5.866 -3.461 -2.634 320 2HB ALA 44 2HB ALA 44 -5.681 -3.304 -4.398 321 3HB ALA 44 3HB ALA 44 -4.345 -2.837 -3.317 322 H HIS 45 HN HIS 45 -7.364 -0.773 -5.455 323 HA HIS 45 HA HIS 45 -5.062 0.499 -6.719 324 1HB HIS 45 2HB HIS 45 -7.550 -0.828 -7.726 325 2HB HIS 45 3HB HIS 45 -6.824 0.432 -8.704 326 HD1 HIS 45 HD1 HIS 45 -6.017 -1.152 -10.565 327 HD2 HIS 45 HD2 HIS 45 -4.543 -2.139 -6.764 328 HE1 HIS 45 HE1 HIS 45 -4.200 -2.905 -10.936 329 H LYS 46 HN LYS 46 -7.285 1.399 -4.563 330 HA LYS 46 HA LYS 46 -7.802 3.951 -5.923 331 1HB LYS 46 2HB LYS 46 -9.642 2.098 -4.736 332 2HB LYS 46 3HB LYS 46 -9.642 3.568 -3.783 333 1HG LYS 46 2HG LYS 46 -9.911 4.894 -5.936 334 2HG LYS 46 3HG LYS 46 -10.057 3.378 -6.803 335 1HD LYS 46 2HD LYS 46 -11.877 3.148 -4.640 336 2HD LYS 46 3HD LYS 46 -12.064 4.796 -5.205 337 1HE LYS 46 2HE LYS 46 -13.249 4.069 -6.996 338 2HE LYS 46 3HE LYS 46 -11.882 3.113 -7.535 339 1HZ LYS 46 1HZ LYS 46 -12.611 1.315 -6.211 340 2HZ LYS 46 2HZ LYS 46 -13.767 2.204 -5.477 341 3HZ LYS 46 3HZ LYS 46 -13.908 1.831 -7.060 342 H ASP 47 HN ASP 47 -8.731 5.269 -3.524 343 HA ASP 47 HA ASP 47 -6.544 6.441 -2.634 344 1HB ASP 47 2HB ASP 47 -8.896 5.662 -0.846 345 2HB ASP 47 3HB ASP 47 -7.792 6.990 -0.549 346 H ALA 48 HN ALA 48 -7.763 3.215 -1.759 347 HA ALA 48 HA ALA 48 -6.686 2.636 0.620 348 1HB ALA 48 1HB ALA 48 -7.892 1.176 -1.192 349 2HB ALA 48 2HB ALA 48 -6.240 0.755 -1.702 350 3HB ALA 48 3HB ALA 48 -6.779 0.392 -0.045 351 H CYS 49 HN CYS 49 -4.877 2.531 -2.532 352 HA CYS 49 HA CYS 49 -2.441 2.828 -0.930 353 1HB CYS 49 2HB CYS 49 -3.013 1.086 -3.302 354 2HB CYS 49 3HB CYS 49 -1.392 1.707 -3.060 355 H LYS 50 HN LYS 50 -3.955 3.286 -4.211 356 HA LYS 50 HA LYS 50 -2.291 4.914 -5.449 357 1HB LYS 50 2HB LYS 50 -5.269 4.860 -5.252 358 2HB LYS 50 3HB LYS 50 -4.541 6.231 -6.064 359 1HG LYS 50 2HG LYS 50 -3.126 3.971 -7.040 360 2HG LYS 50 3HG LYS 50 -4.802 3.464 -6.987 361 1HD LYS 50 2HD LYS 50 -5.286 5.801 -8.130 362 2HD LYS 50 3HD LYS 50 -3.579 5.777 -8.524 363 1HE LYS 50 2HE LYS 50 -4.161 3.285 -9.360 364 2HE LYS 50 3HE LYS 50 -5.777 3.950 -9.492 365 1HZ LYS 50 1HZ LYS 50 -5.171 5.066 -11.278 366 2HZ LYS 50 2HZ LYS 50 -3.859 5.720 -10.558 367 3HZ LYS 50 3HZ LYS 50 -3.753 4.258 -11.277 368 H THR 51 HN THR 51 -4.925 6.557 -3.592 369 HA THR 51 HA THR 51 -4.038 9.006 -3.387 370 HB THR 51 HB THR 51 -5.237 7.139 -1.318 371 HG1 THR 51 HG1 THR 51 -6.213 8.296 -3.330 372 1HG2 THR 51 1HG THR 51 -5.790 9.568 -0.252 373 2HG2 THR 51 2HG THR 51 -4.396 8.608 0.297 374 3HG2 THR 51 3HG THR 51 -4.163 9.923 -0.879 375 H CYS 52 HN CYS 52 -3.129 7.134 -0.468 376 HA CYS 52 HA CYS 52 -0.912 8.740 -0.005 377 1HB CYS 52 2HB CYS 52 -2.206 7.287 1.631 378 2HB CYS 52 3HB CYS 52 -1.280 5.928 1.027 379 H HIS 53 HN HIS 53 0.230 8.806 -2.082 380 HA HIS 53 HA HIS 53 2.431 7.288 -2.273 381 1HB HIS 53 2HB HIS 53 0.154 5.724 -3.099 382 2HB HIS 53 3HB HIS 53 1.211 5.980 -4.474 383 HD1 HIS 53 HD1 HIS 53 3.922 5.460 -3.812 384 HD2 HIS 53 HD2 HIS 53 0.899 3.573 -1.602 385 HE1 HIS 53 HE1 HIS 53 5.009 3.442 -2.691 386 H LYS 54 HN LYS 54 -0.289 8.749 -4.102 387 HA LYS 54 HA LYS 54 1.495 9.650 -6.179 388 1HB LYS 54 2HB LYS 54 -1.468 10.038 -5.676 389 2HB LYS 54 3HB LYS 54 -0.615 10.739 -7.037 390 1HG LYS 54 2HG LYS 54 0.137 8.433 -7.723 391 2HG LYS 54 3HG LYS 54 -0.779 7.756 -6.392 392 1HD LYS 54 2HD LYS 54 -2.244 7.557 -8.256 393 2HD LYS 54 3HD LYS 54 -2.847 8.956 -7.389 394 1HE LYS 54 2HE LYS 54 -0.814 9.884 -9.210 395 2HE LYS 54 3HE LYS 54 -1.873 8.814 -10.108 396 1HZ LYS 54 1HZ LYS 54 -2.935 10.922 -8.375 397 2HZ LYS 54 2HZ LYS 54 -2.553 11.201 -9.938 398 3HZ LYS 54 3HZ LYS 54 -3.708 10.110 -9.562 399 H SER 55 HN SER 55 2.921 10.719 -4.470 400 HA SER 55 HA SER 55 2.201 13.477 -4.447 401 1HB SER 55 2HB SER 55 2.938 13.392 -1.834 402 2HB SER 55 3HB SER 55 1.268 13.347 -2.361 403 HG SER 55 HG SER 55 1.835 10.843 -2.483 404 H ASN 56 HN ASN 56 4.425 10.986 -2.999 405 HA ASN 56 HA ASN 56 6.621 12.769 -3.665 406 1HB ASN 56 2HB ASN 56 6.076 11.371 -1.319 407 2HB ASN 56 3HB ASN 56 7.191 10.280 -2.116 408 1HD2 ASN 56 1HD ASN 56 6.837 13.041 -0.244 409 2HD2 ASN 56 2HD ASN 56 8.454 13.660 -0.299 410 H ASN 57 HN ASN 57 5.999 9.178 -3.392 411 HA ASN 57 HA ASN 57 7.960 8.532 -5.254 412 1HB ASN 57 2HB ASN 57 5.586 7.051 -4.053 413 2HB ASN 57 3HB ASN 57 6.549 6.286 -5.303 414 1HD2 ASN 57 1HD ASN 57 6.372 5.184 -2.831 415 2HD2 ASN 57 2HD ASN 57 7.877 5.292 -1.982 416 H GLY 58 HN GLY 58 4.431 7.710 -5.555 417 1HA GLY 58 1HA GLY 58 2.976 8.410 -7.233 418 2HA GLY 58 2HA GLY 58 4.328 8.967 -8.200 419 HA PRO 59 HA PRO 59 4.026 4.243 -8.671 420 1HB PRO 59 2HB PRO 59 1.815 2.961 -7.704 421 2HB PRO 59 3HB PRO 59 3.331 3.045 -6.831 422 1HG PRO 59 2HG PRO 59 0.823 4.530 -6.339 423 2HG PRO 59 3HG PRO 59 2.179 4.276 -5.258 424 1HD PRO 59 2HD PRO 59 1.566 6.674 -6.708 425 2HD PRO 59 3HD PRO 59 2.983 6.381 -5.719 426 H THR 60 HN THR 60 2.151 6.649 -9.543 427 HA THR 60 HA THR 60 0.025 5.920 -10.910 428 HB THR 60 HB THR 60 2.406 7.554 -11.932 429 HG1 THR 60 HG1 THR 60 -0.105 7.963 -10.478 430 1HG2 THR 60 1HG THR 60 1.068 8.417 -13.625 431 2HG2 THR 60 2HG THR 60 0.322 6.804 -13.541 432 3HG2 THR 60 3HG THR 60 -0.429 8.179 -12.695 433 H LYS 61 HN LYS 61 3.277 5.544 -12.485 434 HA LYS 61 HA LYS 61 2.217 3.910 -14.514 435 1HB LYS 61 2HB LYS 61 4.937 4.749 -13.598 436 2HB LYS 61 3HB LYS 61 4.823 3.363 -14.663 437 1HG LYS 61 2HG LYS 61 3.088 5.126 -15.904 438 2HG LYS 61 3HG LYS 61 4.264 6.234 -15.226 439 1HD LYS 61 2HD LYS 61 5.996 4.424 -16.248 440 2HD LYS 61 3HD LYS 61 4.645 4.100 -17.316 441 1HE LYS 61 2HE LYS 61 4.569 6.754 -17.557 442 2HE LYS 61 3HE LYS 61 6.224 6.662 -16.988 443 1HZ LYS 61 1HZ LYS 61 5.128 5.273 -19.333 444 2HZ LYS 61 2HZ LYS 61 6.170 6.529 -19.347 445 3HZ LYS 61 3HZ LYS 61 6.651 5.077 -18.778 446 H CYS 62 HN CYS 62 2.283 1.647 -14.817 447 HA CYS 62 HA CYS 62 1.675 0.112 -12.659 448 1HB CYS 62 2HB CYS 62 2.802 -0.616 -15.358 449 2HB CYS 62 3HB CYS 62 2.391 -1.838 -14.170 450 H GLY 63 HN GLY 63 4.870 0.720 -14.238 451 1HA GLY 63 1HA GLY 63 6.466 -1.083 -12.924 452 2HA GLY 63 2HA GLY 63 6.969 0.510 -13.455 453 H GLY 64 HN GLY 64 4.728 1.679 -11.603 454 1HA GLY 64 1HA GLY 64 6.373 2.339 -9.440 455 2HA GLY 64 2HA GLY 64 4.639 2.574 -9.544 456 H CYS 65 HN CYS 65 3.227 0.564 -9.145 457 HA CYS 65 HA CYS 65 4.104 -0.605 -6.709 458 1HB CYS 65 2HB CYS 65 1.612 -0.470 -8.276 459 2HB CYS 65 3HB CYS 65 1.825 -1.960 -7.380 460 H HIS 66 HN HIS 66 3.005 -1.977 -9.906 461 HA HIS 66 HA HIS 66 4.249 -4.477 -9.275 462 1HB HIS 66 2HB HIS 66 2.807 -3.463 -11.738 463 2HB HIS 66 3HB HIS 66 3.439 -5.090 -11.577 464 HD1 HIS 66 HD1 HIS 66 2.009 -6.787 -10.342 465 HD2 HIS 66 HD2 HIS 66 0.656 -2.847 -9.851 466 HE1 HIS 66 HE1 HIS 66 -0.247 -6.949 -9.161 467 H ILE 67 HN ILE 67 6.486 -4.093 -9.069 468 HA ILE 67 HA ILE 67 8.026 -2.516 -10.681 469 HB ILE 67 HB ILE 67 8.639 -5.072 -9.211 470 1HG1 ILE 67 2HG ILE 67 9.940 -3.021 -7.946 471 2HG1 ILE 67 3HG ILE 67 8.503 -2.201 -8.525 472 1HG2 ILE 67 1HG ILE 67 10.657 -3.152 -10.401 473 2HG2 ILE 67 2HG ILE 67 10.988 -4.639 -9.480 474 3HG2 ILE 67 3HG ILE 67 10.236 -4.739 -11.090 475 1HD1 ILE 67 1HD ILE 67 8.106 -4.903 -7.270 476 2HD1 ILE 67 2HD ILE 67 8.535 -3.552 -6.194 477 3HD1 ILE 67 3HD ILE 67 7.071 -3.456 -7.201 478 H LYS 68 HN LYS 68 7.847 -2.464 -12.877 479 HA LYS 68 HA LYS 68 7.050 -4.399 -14.553 480 1HB LYS 68 2HB LYS 68 8.031 -1.881 -14.830 481 2HB LYS 68 3HB LYS 68 9.345 -2.799 -15.536 482 1HG LYS 68 2HG LYS 68 8.130 -3.258 -17.402 483 2HG LYS 68 3HG LYS 68 6.788 -3.868 -16.454 484 1HD LYS 68 2HD LYS 68 5.845 -1.651 -16.184 485 2HD LYS 68 3HD LYS 68 7.298 -0.882 -16.789 486 1HE LYS 68 2HE LYS 68 6.917 -1.783 -19.040 487 2HE LYS 68 3HE LYS 68 5.582 -2.767 -18.473 488 1HZ LYS 68 1HZ LYS 68 5.255 -0.029 -17.814 489 2HZ LYS 68 2HZ LYS 68 5.394 -0.255 -19.426 490 3HZ LYS 68 3HZ LYS 68 4.232 -1.038 -18.589 491 HHA HEC 98 HGM HEC 98 -4.684 -5.440 8.879 492 HHB HEC 98 HDM HEC 98 -2.048 -2.818 13.894 493 HHC HEC 98 HAM HEC 98 1.448 0.789 10.036 494 HHD HEC 98 HBM HEC 98 -1.619 -1.610 5.174 495 1HMA HEC 98 1HM HEC 98 -4.574 -5.210 14.267 496 2HMA HEC 98 2HM HEC 98 -3.134 -6.236 14.067 497 3HMA HEC 98 3HM HEC 98 -2.958 -4.553 14.617 498 1HAA HEC 98 1HA HEC 98 -5.064 -6.938 12.266 499 2HAA HEC 98 2HA HEC 98 -5.653 -6.311 10.707 500 1HBA HEC 98 3HB HEC 98 -4.707 -8.298 9.913 501 2HBA HEC 98 4HB HEC 98 -3.233 -7.301 9.892 502 1HMB HEC 98 1HM HEC 98 -0.768 0.318 15.042 503 2HMB HEC 98 2HM HEC 98 -1.454 -1.323 15.073 504 3HMB HEC 98 3HM HEC 98 0.293 -1.085 15.312 505 HAB HEC 98 HT2 HEC 98 1.942 1.332 11.909 506 1HBB HEC 98 1HT HEC 98 3.222 -0.491 12.789 507 2HBB HEC 98 2HT HEC 98 3.588 1.092 13.515 508 3HBB HEC 98 3HT HEC 98 2.625 -0.100 14.418 509 1HMC HEC 98 1HM HEC 98 2.560 1.612 6.751 510 2HMC HEC 98 2HM HEC 98 1.489 2.672 7.698 511 3HMC HEC 98 3HM HEC 98 2.558 1.517 8.528 512 HAC HEC 98 HT4 HEC 98 -1.005 1.066 4.890 513 1HBC HEC 98 1HT HEC 98 1.288 0.191 3.413 514 2HBC HEC 98 2HT HEC 98 0.781 -1.148 4.472 515 3HBC HEC 98 3HT HEC 98 -0.381 -0.425 3.333 516 1HMD HEC 98 1HM HEC 98 -3.056 -2.242 3.846 517 2HMD HEC 98 2HM HEC 98 -2.746 -3.984 3.654 518 3HMD HEC 98 3HM HEC 98 -4.413 -3.394 3.849 519 1HAD HEC 98 1HA HEC 98 -5.059 -6.109 6.755 520 2HAD HEC 98 2HA HEC 98 -5.422 -5.176 5.283 521 1HBD HEC 98 3HB HEC 98 -2.962 -5.985 4.651 522 2HBD HEC 98 4HB HEC 98 -3.412 -7.307 5.754 523 HHA HEC 128 HGM HEC 128 7.937 3.490 -1.182 524 HHB HEC 128 HDM HEC 128 4.005 -1.046 -2.899 525 HHC HEC 128 HAM HEC 128 -0.264 1.266 1.167 526 HHD HEC 128 HBM HEC 128 3.615 5.980 2.409 527 1HMA HEC 128 1HM HEC 128 5.848 -1.556 -3.763 528 2HMA HEC 128 2HM HEC 128 7.334 -0.759 -4.332 529 3HMA HEC 128 3HM HEC 128 7.373 -1.777 -2.873 530 1HAA HEC 128 1HA HEC 128 9.138 2.165 -1.872 531 2HAA HEC 128 2HA HEC 128 9.354 0.413 -2.090 532 1HBA HEC 128 3HB HEC 128 9.262 0.559 -4.410 533 2HBA HEC 128 4HB HEC 128 8.014 1.828 -4.377 534 1HMB HEC 128 1HM HEC 128 0.831 -2.699 -2.500 535 2HMB HEC 128 2HM HEC 128 0.932 -1.405 -3.716 536 3HMB HEC 128 3HM HEC 128 2.411 -2.239 -3.178 537 HAB HEC 128 HT2 HEC 128 -1.305 -0.121 -0.164 538 1HBB HEC 128 1HT HEC 128 -1.278 -1.313 1.577 539 2HBB HEC 128 2HT HEC 128 -1.302 -2.761 0.542 540 3HBB HEC 128 3HT HEC 128 0.249 -2.103 1.115 541 1HMC HEC 128 1HM HEC 128 -1.194 3.712 3.695 542 2HMC HEC 128 2HM HEC 128 -1.771 3.483 2.028 543 3HMC HEC 128 3HM HEC 128 -1.131 2.100 2.945 544 HAC HEC 128 HT4 HEC 128 1.677 6.365 3.546 545 1HBC HEC 128 1HT HEC 128 -0.084 4.929 4.829 546 2HBC HEC 128 2HT HEC 128 -0.244 6.702 4.858 547 3HBC HEC 128 3HT HEC 128 -1.275 5.733 3.778 548 1HMD HEC 128 1HM HEC 128 6.491 7.066 3.022 549 2HMD HEC 128 2HM HEC 128 6.354 7.986 1.505 550 3HMD HEC 128 3HM HEC 128 4.887 7.524 2.401 551 1HAD HEC 128 1HA HEC 128 8.604 6.024 1.700 552 2HAD HEC 128 2HA HEC 128 8.975 4.965 0.319 553 1HBD HEC 128 3HB HEC 128 9.022 6.670 -1.114 554 2HBD HEC 128 4HB HEC 128 7.559 7.416 -0.427 555 HHA HEC 158 HGM HEC 158 -3.109 -7.715 -7.204 556 HHB HEC 158 HDM HEC 158 -2.256 -5.826 -13.092 557 HHC HEC 158 HAM HEC 158 -1.178 0.033 -10.941 558 HHD HEC 158 HBM HEC 158 -1.609 -2.133 -5.115 559 1HMA HEC 158 1HM HEC 158 -3.688 -9.309 -12.128 560 2HMA HEC 158 2HM HEC 158 -4.339 -7.841 -12.893 561 3HMA HEC 158 3HM HEC 158 -2.611 -8.233 -13.050 562 1HAA HEC 158 1HA HEC 158 -4.151 -9.024 -8.202 563 2HAA HEC 158 2HA HEC 158 -4.940 -9.386 -9.755 564 1HBA HEC 158 3HB HEC 158 -2.906 -10.462 -10.617 565 2HBA HEC 158 4HB HEC 158 -1.963 -9.920 -9.209 566 1HMB HEC 158 1HM HEC 158 -0.289 -3.553 -15.013 567 2HMB HEC 158 2HM HEC 158 -1.320 -4.945 -14.610 568 3HMB HEC 158 3HM HEC 158 -2.036 -3.493 -15.349 569 HAB HEC 158 HT2 HEC 158 -0.163 -0.294 -13.288 570 1HBB HEC 158 1HT HEC 158 -2.791 0.173 -12.587 571 2HBB HEC 158 2HT HEC 158 -1.480 1.317 -12.962 572 3HBB HEC 158 3HT HEC 158 -2.572 0.762 -14.252 573 1HMC HEC 158 1HM HEC 158 0.344 1.810 -8.931 574 2HMC HEC 158 2HM HEC 158 -1.105 1.733 -9.961 575 3HMC HEC 158 3HM HEC 158 -1.225 2.370 -8.305 576 HAC HEC 158 HT4 HEC 158 -1.056 0.099 -4.995 577 1HBC HEC 158 1HT HEC 158 -0.389 2.403 -4.883 578 2HBC HEC 158 2HT HEC 158 0.111 2.412 -6.591 579 3HBC HEC 158 3HT HEC 158 -1.614 2.287 -6.169 580 1HMD HEC 158 1HM HEC 158 -1.794 -2.992 -3.380 581 2HMD HEC 158 2HM HEC 158 -2.975 -4.220 -2.865 582 3HMD HEC 158 3HM HEC 158 -1.244 -4.627 -2.937 583 1HAD HEC 158 1HA HEC 158 -3.557 -6.365 -3.434 584 2HAD HEC 158 2HA HEC 158 -4.162 -7.255 -4.851 585 1HBD HEC 158 3HB HEC 158 -1.591 -7.977 -4.967 586 2HBD HEC 158 4HB HEC 158 -1.729 -7.681 -3.217 Start of MODEL 11 1 H ALA 1 HN ALA 1 2.247 -7.237 10.782 2 HA ALA 1 HA ALA 1 2.765 -9.772 9.423 3 1HB ALA 1 1HB ALA 1 0.925 -8.457 8.539 4 2HB ALA 1 2HB ALA 1 1.955 -7.009 8.438 5 3HB ALA 1 3HB ALA 1 2.272 -8.402 7.377 6 H ASP 2 HN ASP 2 3.936 -6.325 9.359 7 HA ASP 2 HA ASP 2 5.925 -5.483 9.151 8 1HB ASP 2 2HB ASP 2 7.288 -8.169 9.466 9 2HB ASP 2 3HB ASP 2 7.842 -6.597 10.005 10 H VAL 3 HN VAL 3 5.298 -5.298 6.800 11 HA VAL 3 HA VAL 3 5.767 -5.440 4.645 12 HB VAL 3 HB VAL 3 8.174 -7.028 5.560 13 1HG1 VAL 3 1HG VAL 3 8.829 -7.213 3.431 14 2HG1 VAL 3 2HG VAL 3 7.191 -6.698 2.961 15 3HG1 VAL 3 3HG VAL 3 8.495 -5.495 3.109 16 1HG2 VAL 3 1HG VAL 3 8.216 -4.871 6.602 17 2HG2 VAL 3 2HG VAL 3 9.361 -4.830 5.239 18 3HG2 VAL 3 3HG VAL 3 7.763 -4.061 5.083 19 H VAL 4 HN VAL 4 3.876 -6.597 4.130 20 HA VAL 4 HA VAL 4 3.831 -9.443 4.406 21 HB VAL 4 HB VAL 4 1.969 -7.590 2.907 22 1HG1 VAL 4 1HG VAL 4 1.807 -10.464 3.797 23 2HG1 VAL 4 2HG VAL 4 0.329 -9.487 3.622 24 3HG1 VAL 4 3HG VAL 4 1.399 -9.741 2.223 25 1HG2 VAL 4 1HG VAL 4 0.934 -6.993 4.832 26 2HG2 VAL 4 2HG VAL 4 1.229 -8.568 5.608 27 3HG2 VAL 4 3HG VAL 4 2.523 -7.347 5.551 28 H THR 5 HN THR 5 3.156 -10.779 2.356 29 HA THR 5 HA THR 5 4.543 -9.830 -0.030 30 HB THR 5 HB THR 5 5.268 -12.284 1.635 31 HG1 THR 5 HG1 THR 5 7.114 -11.033 1.809 32 1HG2 THR 5 1HG THR 5 6.655 -13.064 -0.183 33 2HG2 THR 5 2HG THR 5 5.045 -12.806 -0.899 34 3HG2 THR 5 3HG THR 5 6.332 -11.601 -1.145 35 H TYR 6 HN TYR 6 2.998 -9.871 -1.538 36 HA TYR 6 HA TYR 6 1.141 -12.147 -1.460 37 1HB TYR 6 2HB TYR 6 1.115 -9.252 -2.474 38 2HB TYR 6 3HB TYR 6 -0.078 -10.393 -3.063 39 HD1 TYR 6 HD1 TYR 6 0.099 -7.761 -1.015 40 HD2 TYR 6 HD2 TYR 6 -0.900 -11.912 -0.746 41 HE1 TYR 6 HE1 TYR 6 -1.363 -7.284 1.009 42 HE2 TYR 6 HE2 TYR 6 -2.359 -11.422 1.278 43 HH TYR 6 HH TYR 6 -3.161 -8.198 2.183 44 H GLU 7 HN GLU 7 2.679 -13.567 -2.562 45 HA GLU 7 HA GLU 7 3.844 -12.854 -4.975 46 1HB GLU 7 2HB GLU 7 4.508 -15.131 -5.131 47 2HB GLU 7 3HB GLU 7 4.418 -14.814 -3.410 48 1HG GLU 7 2HG GLU 7 2.198 -16.111 -5.062 49 2HG GLU 7 3HG GLU 7 3.333 -16.985 -4.052 50 H ASN 8 HN ASN 8 3.157 -12.958 -7.116 51 HA ASN 8 HA ASN 8 0.679 -14.316 -7.651 52 1HB ASN 8 2HB ASN 8 -0.283 -12.314 -8.820 53 2HB ASN 8 3HB ASN 8 -0.078 -12.023 -7.104 54 1HD2 ASN 8 1HD ASN 8 0.581 -10.063 -6.710 55 2HD2 ASN 8 2HD ASN 8 1.747 -9.142 -7.599 56 H LYS 9 HN LYS 9 0.279 -13.446 -10.300 57 HA LYS 9 HA LYS 9 2.733 -14.382 -11.550 58 1HB LYS 9 2HB LYS 9 0.403 -15.385 -11.953 59 2HB LYS 9 3HB LYS 9 0.057 -13.941 -12.882 60 1HG LYS 9 2HG LYS 9 2.669 -15.069 -13.614 61 2HG LYS 9 3HG LYS 9 1.394 -16.257 -13.797 62 1HD LYS 9 2HD LYS 9 1.159 -13.429 -14.914 63 2HD LYS 9 3HD LYS 9 1.862 -14.743 -15.836 64 1HE LYS 9 2HE LYS 9 -0.786 -15.343 -14.578 65 2HE LYS 9 3HE LYS 9 -0.816 -14.129 -15.841 66 1HZ LYS 9 1HZ LYS 9 -0.152 -16.932 -16.028 67 2HZ LYS 9 2HZ LYS 9 -0.956 -15.980 -17.083 68 3HZ LYS 9 3HZ LYS 9 0.674 -15.920 -17.010 69 H LYS 10 HN LYS 10 0.604 -11.535 -11.284 70 HA LYS 10 HA LYS 10 2.092 -10.150 -13.342 71 1HB LYS 10 2HB LYS 10 -0.265 -9.386 -11.603 72 2HB LYS 10 3HB LYS 10 0.506 -8.273 -12.714 73 1HG LYS 10 2HG LYS 10 -0.374 -10.998 -13.708 74 2HG LYS 10 3HG LYS 10 -1.565 -9.727 -13.513 75 1HD LYS 10 2HD LYS 10 -0.705 -8.450 -15.248 76 2HD LYS 10 3HD LYS 10 0.947 -8.946 -14.945 77 1HE LYS 10 2HE LYS 10 0.153 -11.314 -15.785 78 2HE LYS 10 3HE LYS 10 -1.221 -10.452 -16.449 79 1HZ LYS 10 1HZ LYS 10 1.385 -9.335 -16.990 80 2HZ LYS 10 2HZ LYS 10 1.020 -10.734 -17.751 81 3HZ LYS 10 3HZ LYS 10 0.068 -9.422 -17.953 82 H GLY 11 HN GLY 11 3.947 -10.940 -11.565 83 1HA GLY 11 1HA GLY 11 5.642 -10.144 -10.320 84 2HA GLY 11 2HA GLY 11 5.077 -8.521 -10.669 85 H ASN 12 HN ASN 12 5.998 -10.156 -8.121 86 HA ASN 12 HA ASN 12 3.779 -10.239 -6.446 87 1HB ASN 12 2HB ASN 12 6.601 -9.704 -5.443 88 2HB ASN 12 3HB ASN 12 5.357 -10.688 -4.699 89 1HD2 ASN 12 1HD ASN 12 5.821 -12.739 -4.739 90 2HD2 ASN 12 2HD ASN 12 6.584 -13.627 -6.015 91 H VAL 13 HN VAL 13 2.989 -8.655 -4.932 92 HA VAL 13 HA VAL 13 4.042 -5.957 -5.381 93 HB VAL 13 HB VAL 13 1.748 -6.217 -6.008 94 1HG1 VAL 13 1HG VAL 13 1.096 -8.194 -4.820 95 2HG1 VAL 13 2HG VAL 13 1.355 -7.407 -3.245 96 3HG1 VAL 13 3HG VAL 13 0.020 -6.877 -4.296 97 1HG2 VAL 13 1HG VAL 13 2.625 -4.227 -4.488 98 2HG2 VAL 13 2HG VAL 13 0.913 -4.352 -4.961 99 3HG2 VAL 13 3HG VAL 13 1.431 -4.887 -3.344 100 H THR 14 HN THR 14 5.802 -7.163 -3.857 101 HA THR 14 HA THR 14 5.470 -7.734 -1.264 102 HB THR 14 HB THR 14 7.604 -6.096 -2.708 103 HG1 THR 14 HG1 THR 14 8.611 -8.284 -2.345 104 1HG2 THR 14 1HG THR 14 8.308 -7.546 -0.200 105 2HG2 THR 14 2HG THR 14 8.914 -5.987 -0.811 106 3HG2 THR 14 3HG THR 14 7.359 -6.061 0.054 107 H PHE 15 HN PHE 15 4.220 -6.886 0.274 108 HA PHE 15 HA PHE 15 3.598 -4.087 0.199 109 1HB PHE 15 2HB PHE 15 2.301 -6.368 0.974 110 2HB PHE 15 3HB PHE 15 3.021 -5.963 2.520 111 HD1 PHE 15 HD1 PHE 15 2.417 -3.831 3.643 112 HD2 PHE 15 HD2 PHE 15 0.458 -5.121 0.106 113 HE1 PHE 15 HE1 PHE 15 0.542 -2.226 4.096 114 HE2 PHE 15 HE2 PHE 15 -1.418 -3.515 0.560 115 HZ PHE 15 HZ PHE 15 -1.353 -2.087 2.550 116 H ASP 16 HN ASP 16 3.628 -2.890 2.451 117 HA ASP 16 HA ASP 16 6.095 -3.552 3.830 118 1HB ASP 16 2HB ASP 16 5.283 -0.825 2.728 119 2HB ASP 16 3HB ASP 16 6.539 -1.020 3.933 120 H HIS 17 HN HIS 17 5.649 -3.610 6.041 121 HA HIS 17 HA HIS 17 3.317 -2.077 6.935 122 1HB HIS 17 2HB HIS 17 3.478 -4.734 6.993 123 2HB HIS 17 3HB HIS 17 4.356 -4.421 8.478 124 HD1 HIS 17 HD1 HIS 17 2.943 -4.193 10.530 125 HD2 HIS 17 HD2 HIS 17 0.788 -3.362 7.029 126 HE1 HIS 17 HE1 HIS 17 0.528 -3.804 11.252 127 H LYS 18 HN LYS 18 6.618 -3.271 7.816 128 HA LYS 18 HA LYS 18 6.716 -1.373 9.998 129 1HB LYS 18 2HB LYS 18 7.577 -3.669 10.280 130 2HB LYS 18 3HB LYS 18 8.755 -3.391 9.014 131 1HG LYS 18 2HG LYS 18 10.116 -2.737 10.735 132 2HG LYS 18 3HG LYS 18 9.256 -1.214 10.608 133 1HD LYS 18 2HD LYS 18 7.518 -2.581 12.220 134 2HD LYS 18 3HD LYS 18 9.016 -3.367 12.678 135 1HE LYS 18 2HE LYS 18 8.800 -0.332 12.568 136 2HE LYS 18 3HE LYS 18 8.311 -1.226 13.994 137 1HZ LYS 18 1HZ LYS 18 10.492 -2.123 14.165 138 2HZ LYS 18 2HZ LYS 18 10.964 -1.449 12.754 139 3HZ LYS 18 3HZ LYS 18 10.626 -0.501 14.039 140 H ALA 19 HN ALA 19 8.671 -2.108 7.019 141 HA ALA 19 HA ALA 19 10.232 0.166 7.127 142 1HB ALA 19 1HB ALA 19 10.671 -0.302 4.764 143 2HB ALA 19 2HB ALA 19 10.599 -1.827 5.679 144 3HB ALA 19 3HB ALA 19 9.218 -1.327 4.674 145 H HIS 20 HN HIS 20 6.860 -0.304 6.127 146 HA HIS 20 HA HIS 20 6.710 2.189 4.759 147 1HB HIS 20 2HB HIS 20 5.126 -0.143 5.031 148 2HB HIS 20 3HB HIS 20 4.150 1.182 5.631 149 HD1 HIS 20 HD1 HIS 20 2.687 0.599 3.406 150 HD2 HIS 20 HD2 HIS 20 6.443 2.362 2.783 151 HE1 HIS 20 HE1 HIS 20 2.670 1.493 1.016 152 H ALA 21 HN ALA 21 5.611 0.923 7.974 153 HA ALA 21 HA ALA 21 4.496 3.327 8.846 154 1HB ALA 21 1HB ALA 21 4.232 0.965 9.788 155 2HB ALA 21 2HB ALA 21 5.806 1.207 10.583 156 3HB ALA 21 3HB ALA 21 4.433 2.264 10.987 157 H GLU 22 HN GLU 22 7.841 2.109 8.717 158 HA GLU 22 HA GLU 22 9.065 3.631 10.554 159 1HB GLU 22 2HB GLU 22 9.875 2.669 7.812 160 2HB GLU 22 3HB GLU 22 10.962 3.739 8.675 161 1HG GLU 22 2HG GLU 22 10.106 1.803 10.589 162 2HG GLU 22 3HG GLU 22 10.445 0.903 9.123 163 H LYS 23 HN LYS 23 8.000 4.635 7.254 164 HA LYS 23 HA LYS 23 8.754 7.381 7.947 165 1HB LYS 23 2HB LYS 23 8.255 6.042 5.274 166 2HB LYS 23 3HB LYS 23 8.488 7.768 5.472 167 1HG LYS 23 2HG LYS 23 10.499 5.738 6.533 168 2HG LYS 23 3HG LYS 23 10.584 6.359 4.896 169 1HD LYS 23 2HD LYS 23 11.329 8.426 5.570 170 2HD LYS 23 3HD LYS 23 10.264 8.473 6.961 171 1HE LYS 23 2HE LYS 23 12.582 8.366 7.746 172 2HE LYS 23 3HE LYS 23 11.777 6.866 8.162 173 1HZ LYS 23 1HZ LYS 23 13.523 5.975 7.143 174 2HZ LYS 23 2HZ LYS 23 12.741 6.311 5.750 175 3HZ LYS 23 3HZ LYS 23 13.899 7.322 6.300 176 H LEU 24 HN LEU 24 6.080 5.170 7.211 177 HA LEU 24 HA LEU 24 4.223 7.411 7.130 178 1HB LEU 24 2HB LEU 24 3.937 4.461 6.573 179 2HB LEU 24 3HB LEU 24 2.575 5.562 6.633 180 HG LEU 24 HG LEU 24 4.402 6.776 4.877 181 1HD1 LEU 24 1HD LEU 24 4.647 3.839 4.808 182 2HD1 LEU 24 2HD LEU 24 4.329 4.607 3.234 183 3HD1 LEU 24 3HD LEU 24 5.739 5.105 4.199 184 1HD2 LEU 24 1HD LEU 24 2.309 7.120 4.151 185 2HD2 LEU 24 2HD LEU 24 2.559 5.618 3.228 186 3HD2 LEU 24 3HD LEU 24 1.719 5.569 4.796 187 H GLY 25 HN GLY 25 2.767 4.575 8.332 188 1HA GLY 25 1HA GLY 25 3.343 4.424 10.989 189 2HA GLY 25 2HA GLY 25 2.286 5.818 10.879 190 H CYS 26 HN CYS 26 0.774 4.473 12.206 191 HA CYS 26 HA CYS 26 -0.490 2.350 10.663 192 1HB CYS 26 2HB CYS 26 -1.368 2.910 13.436 193 2HB CYS 26 3HB CYS 26 -1.149 1.384 12.604 194 H ASP 27 HN ASP 27 -0.844 5.632 11.947 195 HA ASP 27 HA ASP 27 -3.662 5.676 11.657 196 1HB ASP 27 2HB ASP 27 -1.479 7.599 12.366 197 2HB ASP 27 3HB ASP 27 -2.920 8.320 11.678 198 H ALA 28 HN ALA 28 -0.940 5.829 9.549 199 HA ALA 28 HA ALA 28 -1.854 7.744 7.686 200 1HB ALA 28 1HB ALA 28 0.468 6.347 8.147 201 2HB ALA 28 2HB ALA 28 -0.163 5.521 6.703 202 3HB ALA 28 3HB ALA 28 0.122 7.279 6.670 203 H CYS 29 HN CYS 29 -2.071 4.131 7.885 204 HA CYS 29 HA CYS 29 -3.976 4.248 5.677 205 1HB CYS 29 2HB CYS 29 -2.675 1.794 6.863 206 2HB CYS 29 3HB CYS 29 -3.604 1.897 5.381 207 H HIS 30 HN HIS 30 -3.422 3.123 9.062 208 HA HIS 30 HA HIS 30 -6.270 2.511 9.247 209 1HB HIS 30 2HB HIS 30 -4.193 1.852 11.329 210 2HB HIS 30 3HB HIS 30 -5.767 1.122 11.082 211 HD1 HIS 30 HD1 HIS 30 -5.700 -1.101 9.953 212 HD2 HIS 30 HD2 HIS 30 -2.411 1.287 8.915 213 HE1 HIS 30 HE1 HIS 30 -4.225 -2.533 8.443 214 H GLU 31 HN GLU 31 -5.772 2.794 12.325 215 HA GLU 31 HA GLU 31 -5.535 5.655 12.502 216 1HB GLU 31 2HB GLU 31 -8.097 4.405 12.351 217 2HB GLU 31 3HB GLU 31 -7.882 4.874 14.026 218 1HG GLU 31 2HG GLU 31 -8.036 7.103 13.546 219 2HG GLU 31 3HG GLU 31 -6.971 6.972 12.160 220 H GLY 32 HN GLY 32 -6.658 5.793 15.205 221 1HA GLY 32 1HA GLY 32 -4.481 5.245 16.763 222 2HA GLY 32 2HA GLY 32 -6.126 5.373 17.351 223 H THR 33 HN THR 33 -6.871 2.989 15.480 224 HA THR 33 HA THR 33 -5.424 0.802 16.702 225 HB THR 33 HB THR 33 -8.374 1.389 17.285 226 HG1 THR 33 HG1 THR 33 -7.433 2.008 19.200 227 1HG2 THR 33 1HG THR 33 -7.581 -1.129 16.890 228 2HG2 THR 33 2HG THR 33 -6.768 -0.902 18.457 229 3HG2 THR 33 3HG THR 33 -8.535 -0.723 18.337 230 HA PRO 34 HA PRO 34 -6.485 -0.348 12.616 231 1HB PRO 34 2HB PRO 34 -4.466 -2.159 12.280 232 2HB PRO 34 3HB PRO 34 -4.292 -0.453 11.922 233 1HG PRO 34 2HG PRO 34 -3.241 -1.981 14.225 234 2HG PRO 34 3HG PRO 34 -2.739 -0.411 13.629 235 1HD PRO 34 2HD PRO 34 -4.368 -0.930 15.932 236 2HD PRO 34 3HD PRO 34 -3.963 0.639 15.267 237 H ALA 35 HN ALA 35 -6.155 -2.918 11.626 238 HA ALA 35 HA ALA 35 -6.994 -4.891 13.375 239 1HB ALA 35 1HB ALA 35 -9.054 -3.913 13.836 240 2HB ALA 35 2HB ALA 35 -9.185 -3.175 12.222 241 3HB ALA 35 3HB ALA 35 -9.461 -4.921 12.425 242 H LYS 36 HN LYS 36 -7.831 -3.556 10.096 243 HA LYS 36 HA LYS 36 -6.203 -5.307 8.710 244 1HB LYS 36 2HB LYS 36 -7.402 -7.167 8.188 245 2HB LYS 36 3HB LYS 36 -8.060 -6.875 9.785 246 1HG LYS 36 2HG LYS 36 -10.088 -6.947 8.726 247 2HG LYS 36 3HG LYS 36 -9.729 -5.289 8.286 248 1HD LYS 36 2HD LYS 36 -9.589 -5.830 6.087 249 2HD LYS 36 3HD LYS 36 -8.404 -7.079 6.415 250 1HE LYS 36 2HE LYS 36 -9.959 -8.690 6.058 251 2HE LYS 36 3HE LYS 36 -10.960 -8.044 7.342 252 1HZ LYS 36 1HZ LYS 36 -10.939 -7.062 4.572 253 2HZ LYS 36 2HZ LYS 36 -12.085 -8.024 5.226 254 3HZ LYS 36 3HZ LYS 36 -11.892 -6.496 5.771 255 H ILE 37 HN ILE 37 -6.966 -5.389 6.270 256 HA ILE 37 HA ILE 37 -8.670 -3.133 5.627 257 HB ILE 37 HB ILE 37 -5.801 -3.267 4.693 258 1HG1 ILE 37 2HG ILE 37 -7.138 -1.599 6.826 259 2HG1 ILE 37 3HG ILE 37 -5.718 -2.615 6.969 260 1HG2 ILE 37 1HG ILE 37 -7.056 -0.738 4.261 261 2HG2 ILE 37 2HG ILE 37 -6.394 -1.881 3.069 262 3HG2 ILE 37 3HG ILE 37 -8.094 -2.011 3.578 263 1HD1 ILE 37 1HD ILE 37 -5.929 0.170 6.064 264 2HD1 ILE 37 2HD ILE 37 -4.495 -0.739 6.599 265 3HD1 ILE 37 3HD ILE 37 -5.033 -0.841 4.905 266 H ALA 38 HN ALA 38 -9.578 -3.281 3.526 267 HA ALA 38 HA ALA 38 -9.405 -5.966 2.441 268 1HB ALA 38 1HB ALA 38 -11.267 -3.601 2.144 269 2HB ALA 38 2HB ALA 38 -11.315 -4.947 0.981 270 3HB ALA 38 3HB ALA 38 -11.628 -5.251 2.706 271 H ILE 39 HN ILE 39 -7.788 -6.361 1.010 272 HA ILE 39 HA ILE 39 -7.214 -4.224 -0.924 273 HB ILE 39 HB ILE 39 -5.378 -6.169 0.458 274 1HG1 ILE 39 2HG ILE 39 -5.993 -3.922 1.493 275 2HG1 ILE 39 3HG ILE 39 -4.287 -4.284 1.324 276 1HG2 ILE 39 1HG ILE 39 -5.168 -5.051 -2.242 277 2HG2 ILE 39 2HG ILE 39 -3.767 -4.688 -1.208 278 3HG2 ILE 39 3HG ILE 39 -4.267 -6.376 -1.468 279 1HD1 ILE 39 1HD ILE 39 -5.072 -1.930 0.586 280 2HD1 ILE 39 2HD ILE 39 -4.033 -2.825 -0.549 281 3HD1 ILE 39 3HD ILE 39 -5.790 -2.744 -0.825 282 H ASP 40 HN ASP 40 -7.151 -4.774 -3.103 283 HA ASP 40 HA ASP 40 -6.881 -7.318 -4.064 284 1HB ASP 40 2HB ASP 40 -9.243 -7.818 -4.774 285 2HB ASP 40 3HB ASP 40 -9.008 -7.907 -3.039 286 H LYS 41 HN LYS 41 -7.440 -7.356 -6.493 287 HA LYS 41 HA LYS 41 -6.840 -4.857 -7.647 288 1HB LYS 41 2HB LYS 41 -6.073 -6.940 -8.623 289 2HB LYS 41 3HB LYS 41 -7.718 -7.492 -8.859 290 1HG LYS 41 2HG LYS 41 -7.880 -5.107 -10.167 291 2HG LYS 41 3HG LYS 41 -6.170 -5.422 -10.384 292 1HD LYS 41 2HD LYS 41 -6.667 -6.861 -12.062 293 2HD LYS 41 3HD LYS 41 -7.482 -7.901 -10.909 294 1HE LYS 41 2HE LYS 41 -8.940 -5.474 -11.987 295 2HE LYS 41 3HE LYS 41 -8.806 -6.901 -12.994 296 1HZ LYS 41 1HZ LYS 41 -9.561 -7.974 -10.703 297 2HZ LYS 41 2HZ LYS 41 -10.301 -6.524 -10.575 298 3HZ LYS 41 3HZ LYS 41 -10.613 -7.490 -11.854 299 H LYS 42 HN LYS 42 -8.653 -3.670 -6.480 300 HA LYS 42 HA LYS 42 -10.672 -3.102 -8.349 301 1HB LYS 42 2HB LYS 42 -11.686 -5.178 -7.641 302 2HB LYS 42 3HB LYS 42 -11.517 -4.750 -5.951 303 1HG LYS 42 2HG LYS 42 -13.363 -3.396 -5.977 304 2HG LYS 42 3HG LYS 42 -12.932 -2.674 -7.515 305 1HD LYS 42 2HD LYS 42 -13.604 -5.340 -8.169 306 2HD LYS 42 3HD LYS 42 -14.784 -4.888 -6.956 307 1HE LYS 42 2HE LYS 42 -14.274 -2.797 -9.021 308 2HE LYS 42 3HE LYS 42 -14.988 -4.273 -9.642 309 1HZ LYS 42 1HZ LYS 42 -16.539 -3.985 -7.626 310 2HZ LYS 42 2HZ LYS 42 -16.066 -2.422 -7.676 311 3HZ LYS 42 3HZ LYS 42 -16.799 -3.096 -8.970 312 H SER 43 HN SER 43 -9.883 -3.141 -4.808 313 HA SER 43 HA SER 43 -10.660 -0.341 -4.770 314 1HB SER 43 2HB SER 43 -10.441 -2.488 -2.650 315 2HB SER 43 3HB SER 43 -10.361 -0.802 -2.177 316 HG SER 43 HG SER 43 -12.493 -0.811 -2.263 317 H ALA 44 HN ALA 44 -7.992 -2.654 -4.211 318 HA ALA 44 HA ALA 44 -6.211 -0.943 -2.935 319 1HB ALA 44 1HB ALA 44 -5.620 -3.194 -2.899 320 2HB ALA 44 2HB ALA 44 -6.012 -3.434 -4.618 321 3HB ALA 44 3HB ALA 44 -4.526 -2.569 -4.156 322 H HIS 45 HN HIS 45 -7.518 -0.877 -6.142 323 HA HIS 45 HA HIS 45 -5.254 0.694 -7.094 324 1HB HIS 45 2HB HIS 45 -7.524 -0.742 -8.461 325 2HB HIS 45 3HB HIS 45 -6.619 0.504 -9.297 326 HD1 HIS 45 HD1 HIS 45 -6.005 -1.657 -10.878 327 HD2 HIS 45 HD2 HIS 45 -4.256 -1.518 -7.069 328 HE1 HIS 45 HE1 HIS 45 -4.036 -3.279 -10.937 329 H LYS 46 HN LYS 46 -8.037 1.141 -5.345 330 HA LYS 46 HA LYS 46 -8.715 3.642 -6.707 331 1HB LYS 46 2HB LYS 46 -10.363 1.659 -5.853 332 2HB LYS 46 3HB LYS 46 -10.355 2.680 -4.429 333 1HG LYS 46 2HG LYS 46 -11.634 4.264 -5.445 334 2HG LYS 46 3HG LYS 46 -10.586 4.312 -6.847 335 1HD LYS 46 2HD LYS 46 -11.781 1.928 -7.337 336 2HD LYS 46 3HD LYS 46 -13.052 2.656 -6.374 337 1HE LYS 46 2HE LYS 46 -12.563 4.763 -7.998 338 2HE LYS 46 3HE LYS 46 -11.985 3.498 -9.064 339 1HZ LYS 46 1HZ LYS 46 -14.603 3.351 -7.751 340 2HZ LYS 46 2HZ LYS 46 -14.394 4.051 -9.212 341 3HZ LYS 46 3HZ LYS 46 -14.065 2.465 -9.013 342 H ASP 47 HN ASP 47 -9.890 4.760 -4.221 343 HA ASP 47 HA ASP 47 -7.841 6.313 -3.428 344 1HB ASP 47 2HB ASP 47 -10.492 5.538 -2.323 345 2HB ASP 47 3HB ASP 47 -9.380 6.157 -1.118 346 H ALA 48 HN ALA 48 -8.596 2.985 -2.550 347 HA ALA 48 HA ALA 48 -7.640 2.608 -0.074 348 1HB ALA 48 1HB ALA 48 -6.841 0.857 -2.424 349 2HB ALA 48 2HB ALA 48 -7.166 0.362 -0.746 350 3HB ALA 48 3HB ALA 48 -8.501 0.916 -1.785 351 H CYS 49 HN CYS 49 -5.505 2.375 -3.015 352 HA CYS 49 HA CYS 49 -3.254 2.940 -1.268 353 1HB CYS 49 2HB CYS 49 -3.608 1.177 -3.382 354 2HB CYS 49 3HB CYS 49 -2.656 2.468 -4.087 355 H LYS 50 HN LYS 50 -4.183 3.840 -4.676 356 HA LYS 50 HA LYS 50 -2.719 6.156 -4.785 357 1HB LYS 50 2HB LYS 50 -5.313 5.451 -6.190 358 2HB LYS 50 3HB LYS 50 -4.268 6.783 -6.637 359 1HG LYS 50 2HG LYS 50 -2.596 4.460 -6.396 360 2HG LYS 50 3HG LYS 50 -4.008 3.976 -7.314 361 1HD LYS 50 2HD LYS 50 -2.664 4.806 -9.031 362 2HD LYS 50 3HD LYS 50 -3.583 6.244 -8.635 363 1HE LYS 50 2HE LYS 50 -0.955 5.683 -7.221 364 2HE LYS 50 3HE LYS 50 -0.957 6.407 -8.817 365 1HZ LYS 50 1HZ LYS 50 -2.403 8.135 -7.948 366 2HZ LYS 50 2HZ LYS 50 -2.347 7.472 -6.456 367 3HZ LYS 50 3HZ LYS 50 -0.990 8.082 -7.132 368 H THR 51 HN THR 51 -2.735 7.605 -3.108 369 HA THR 51 HA THR 51 -4.788 9.452 -2.914 370 HB THR 51 HB THR 51 -5.551 7.037 -1.700 371 HG1 THR 51 HG1 THR 51 -7.298 8.409 -1.404 372 1HG2 THR 51 1HG THR 51 -4.019 7.442 0.229 373 2HG2 THR 51 2HG THR 51 -4.676 9.088 0.403 374 3HG2 THR 51 3HG THR 51 -5.714 7.678 0.717 375 H CYS 52 HN CYS 52 -2.215 7.662 -1.151 376 HA CYS 52 HA CYS 52 -1.414 10.208 0.023 377 1HB CYS 52 2HB CYS 52 -1.444 8.776 1.780 378 2HB CYS 52 3HB CYS 52 -1.116 7.363 0.797 379 H HIS 53 HN HIS 53 -0.220 7.340 -1.851 380 HA HIS 53 HA HIS 53 2.351 7.960 -2.231 381 1HB HIS 53 2HB HIS 53 0.268 6.662 -3.918 382 2HB HIS 53 3HB HIS 53 1.771 7.088 -4.711 383 HD1 HIS 53 HD1 HIS 53 1.286 4.166 -4.587 384 HD2 HIS 53 HD2 HIS 53 3.097 6.221 -1.409 385 HE1 HIS 53 HE1 HIS 53 2.583 2.420 -3.252 386 H LYS 54 HN LYS 54 -0.390 9.242 -4.246 387 HA LYS 54 HA LYS 54 1.242 10.934 -5.767 388 1HB LYS 54 2HB LYS 54 -0.995 12.067 -6.257 389 2HB LYS 54 3HB LYS 54 -0.831 10.378 -6.694 390 1HG LYS 54 2HG LYS 54 -2.213 9.638 -4.934 391 2HG LYS 54 3HG LYS 54 -1.898 11.053 -3.948 392 1HD LYS 54 2HD LYS 54 -3.523 12.325 -4.996 393 2HD LYS 54 3HD LYS 54 -3.236 11.601 -6.565 394 1HE LYS 54 2HE LYS 54 -5.027 10.244 -6.269 395 2HE LYS 54 3HE LYS 54 -4.250 9.513 -4.878 396 1HZ LYS 54 1HZ LYS 54 -6.114 10.403 -3.969 397 2HZ LYS 54 2HZ LYS 54 -5.082 11.644 -3.717 398 3HZ LYS 54 3HZ LYS 54 -6.150 11.709 -4.949 399 H SER 55 HN SER 55 2.690 11.852 -4.136 400 HA SER 55 HA SER 55 2.046 14.418 -3.511 401 1HB SER 55 2HB SER 55 0.508 13.927 -1.819 402 2HB SER 55 3HB SER 55 1.332 12.458 -1.340 403 HG SER 55 HG SER 55 1.505 14.387 0.143 404 H ASN 56 HN ASN 56 3.772 11.410 -2.645 405 HA ASN 56 HA ASN 56 6.186 13.015 -2.458 406 1HB ASN 56 2HB ASN 56 5.222 10.855 -0.532 407 2HB ASN 56 3HB ASN 56 6.930 11.216 -0.683 408 1HD2 ASN 56 1HD ASN 56 4.084 11.962 0.866 409 2HD2 ASN 56 2HD ASN 56 4.495 13.487 1.577 410 H ASN 57 HN ASN 57 8.187 11.331 -2.549 411 HA ASN 57 HA ASN 57 8.143 10.099 -4.941 412 1HB ASN 57 2HB ASN 57 10.241 10.518 -3.750 413 2HB ASN 57 3HB ASN 57 9.774 9.460 -2.434 414 1HD2 ASN 57 1HD ASN 57 10.374 7.420 -2.475 415 2HD2 ASN 57 2HD ASN 57 11.023 6.556 -3.829 416 H GLY 58 HN GLY 58 7.105 8.241 -5.686 417 1HA GLY 58 1HA GLY 58 7.054 5.789 -4.391 418 2HA GLY 58 2HA GLY 58 5.571 6.609 -3.947 419 HA PRO 59 HA PRO 59 5.053 4.696 -8.091 420 1HB PRO 59 2HB PRO 59 3.259 2.734 -7.460 421 2HB PRO 59 3HB PRO 59 4.983 2.449 -7.592 422 1HG PRO 59 2HG PRO 59 3.319 2.656 -5.158 423 2HG PRO 59 3HG PRO 59 4.919 1.964 -5.338 424 1HD PRO 59 2HD PRO 59 4.269 4.515 -4.196 425 2HD PRO 59 3HD PRO 59 5.875 3.873 -4.484 426 H THR 60 HN THR 60 3.932 6.020 -9.359 427 HA THR 60 HA THR 60 1.214 6.611 -8.381 428 HB THR 60 HB THR 60 3.378 8.362 -9.618 429 HG1 THR 60 HG1 THR 60 1.460 8.414 -7.396 430 1HG2 THR 60 1HG THR 60 1.677 9.347 -10.852 431 2HG2 THR 60 2HG THR 60 0.401 8.584 -9.874 432 3HG2 THR 60 3HG THR 60 1.231 10.040 -9.274 433 H LYS 61 HN LYS 61 3.308 6.425 -11.334 434 HA LYS 61 HA LYS 61 1.157 6.345 -13.111 435 1HB LYS 61 2HB LYS 61 2.944 5.287 -14.636 436 2HB LYS 61 3HB LYS 61 3.203 6.917 -14.049 437 1HG LYS 61 2HG LYS 61 4.857 6.248 -12.498 438 2HG LYS 61 3HG LYS 61 4.273 4.597 -12.427 439 1HD LYS 61 2HD LYS 61 5.904 4.064 -13.915 440 2HD LYS 61 3HD LYS 61 4.965 4.911 -15.128 441 1HE LYS 61 2HE LYS 61 7.004 6.283 -13.314 442 2HE LYS 61 3HE LYS 61 7.383 5.689 -14.919 443 1HZ LYS 61 1HZ LYS 61 6.798 7.858 -15.274 444 2HZ LYS 61 2HZ LYS 61 5.387 7.103 -15.603 445 3HZ LYS 61 3HZ LYS 61 5.592 7.864 -14.171 446 H CYS 62 HN CYS 62 3.100 3.558 -13.661 447 HA CYS 62 HA CYS 62 1.116 1.831 -12.406 448 1HB CYS 62 2HB CYS 62 0.284 2.070 -14.636 449 2HB CYS 62 3HB CYS 62 1.871 1.798 -15.330 450 H GLY 63 HN GLY 63 4.132 1.994 -14.442 451 1HA GLY 63 1HA GLY 63 5.212 -0.433 -13.441 452 2HA GLY 63 2HA GLY 63 6.043 0.804 -14.362 453 H GLY 64 HN GLY 64 4.506 0.556 -11.067 454 1HA GLY 64 1HA GLY 64 7.051 1.521 -9.926 455 2HA GLY 64 2HA GLY 64 5.533 2.288 -9.508 456 H CYS 65 HN CYS 65 3.717 0.251 -9.195 457 HA CYS 65 HA CYS 65 4.691 -0.953 -6.786 458 1HB CYS 65 2HB CYS 65 1.992 -1.083 -8.147 459 2HB CYS 65 3HB CYS 65 2.361 -1.808 -6.594 460 H HIS 66 HN HIS 66 3.236 -2.070 -9.934 461 HA HIS 66 HA HIS 66 4.020 -4.769 -9.374 462 1HB HIS 66 2HB HIS 66 2.618 -3.397 -11.667 463 2HB HIS 66 3HB HIS 66 3.121 -5.073 -11.774 464 HD1 HIS 66 HD1 HIS 66 1.626 -6.815 -10.697 465 HD2 HIS 66 HD2 HIS 66 0.658 -2.900 -9.542 466 HE1 HIS 66 HE1 HIS 66 -0.554 -6.976 -9.382 467 H ILE 67 HN ILE 67 6.004 -5.602 -9.774 468 HA ILE 67 HA ILE 67 7.725 -4.094 -11.594 469 HB ILE 67 HB ILE 67 8.286 -6.029 -9.353 470 1HG1 ILE 67 2HG ILE 67 9.557 -3.362 -9.458 471 2HG1 ILE 67 3HG ILE 67 7.815 -3.337 -9.269 472 1HG2 ILE 67 1HG ILE 67 9.786 -6.424 -11.323 473 2HG2 ILE 67 2HG ILE 67 10.351 -4.745 -11.155 474 3HG2 ILE 67 3HG ILE 67 10.620 -5.911 -9.838 475 1HD1 ILE 67 1HD ILE 67 8.875 -5.410 -7.556 476 2HD1 ILE 67 2HD ILE 67 9.788 -3.908 -7.277 477 3HD1 ILE 67 3HD ILE 67 8.017 -3.920 -7.095 478 H LYS 68 HN LYS 68 7.996 -4.832 -13.624 479 HA LYS 68 HA LYS 68 8.012 -7.715 -14.023 480 1HB LYS 68 2HB LYS 68 5.765 -6.090 -14.674 481 2HB LYS 68 3HB LYS 68 6.536 -6.531 -16.183 482 1HG LYS 68 2HG LYS 68 6.649 -8.936 -14.840 483 2HG LYS 68 3HG LYS 68 5.176 -8.265 -14.168 484 1HD LYS 68 2HD LYS 68 4.491 -9.483 -16.116 485 2HD LYS 68 3HD LYS 68 4.412 -7.793 -16.573 486 1HE LYS 68 2HE LYS 68 6.524 -7.927 -17.772 487 2HE LYS 68 3HE LYS 68 6.875 -9.511 -17.111 488 1HZ LYS 68 1HZ LYS 68 5.391 -8.881 -19.379 489 2HZ LYS 68 2HZ LYS 68 5.807 -10.358 -18.818 490 3HZ LYS 68 3HZ LYS 68 4.409 -9.665 -18.335 491 HHA HEC 98 HGM HEC 98 -4.267 -5.465 8.094 492 HHB HEC 98 HDM HEC 98 -1.584 -2.767 13.043 493 HHC HEC 98 HAM HEC 98 1.433 1.182 9.117 494 HHD HEC 98 HBM HEC 98 -1.690 -1.330 4.348 495 1HMA HEC 98 1HM HEC 98 -3.693 -4.808 13.667 496 2HMA HEC 98 2HM HEC 98 -3.005 -6.360 13.135 497 3HMA HEC 98 3HM HEC 98 -1.928 -5.027 13.613 498 1HAA HEC 98 1HA HEC 98 -4.410 -7.034 11.454 499 2HAA HEC 98 2HA HEC 98 -5.048 -6.461 9.894 500 1HBA HEC 98 3HB HEC 98 -3.964 -8.366 9.088 501 2HBA HEC 98 4HB HEC 98 -2.549 -7.286 9.096 502 1HMB HEC 98 1HM HEC 98 -0.938 0.207 14.175 503 2HMB HEC 98 2HM HEC 98 -0.627 -1.541 14.287 504 3HMB HEC 98 3HM HEC 98 0.727 -0.389 14.372 505 HAB HEC 98 HT2 HEC 98 1.935 1.756 10.984 506 1HBB HEC 98 1HT HEC 98 2.937 0.013 13.166 507 2HBB HEC 98 2HT HEC 98 3.559 0.241 11.515 508 3HBB HEC 98 3HT HEC 98 3.649 1.573 12.691 509 1HMC HEC 98 1HM HEC 98 2.260 2.211 5.776 510 2HMC HEC 98 2HM HEC 98 1.220 3.110 6.906 511 3HMC HEC 98 3HM HEC 98 2.452 1.988 7.531 512 HAC HEC 98 HT4 HEC 98 -1.298 1.321 4.078 513 1HBC HEC 98 1HT HEC 98 1.050 -0.405 3.522 514 2HBC HEC 98 2HT HEC 98 -0.506 -0.277 2.669 515 3HBC HEC 98 3HT HEC 98 0.788 0.900 2.339 516 1HMD HEC 98 1HM HEC 98 -4.374 -3.390 3.098 517 2HMD HEC 98 2HM HEC 98 -3.244 -2.015 3.094 518 3HMD HEC 98 3HM HEC 98 -2.638 -3.667 2.819 519 1HAD HEC 98 1HA HEC 98 -4.565 -6.189 5.958 520 2HAD HEC 98 2HA HEC 98 -5.285 -5.183 4.681 521 1HBD HEC 98 3HB HEC 98 -4.087 -7.199 3.859 522 2HBD HEC 98 4HB HEC 98 -3.478 -5.665 3.191 523 HHA HEC 128 HGM HEC 128 8.151 3.404 -1.144 524 HHB HEC 128 HDM HEC 128 4.086 -0.859 -3.215 525 HHC HEC 128 HAM HEC 128 -0.452 1.981 0.170 526 HHD HEC 128 HBM HEC 128 3.639 6.404 1.758 527 1HMA HEC 128 1HM HEC 128 6.198 -1.252 -4.229 528 2HMA HEC 128 2HM HEC 128 7.910 -1.092 -3.774 529 3HMA HEC 128 3HM HEC 128 6.793 -2.001 -2.729 530 1HAA HEC 128 1HA HEC 128 9.221 1.375 -3.185 531 2HAA HEC 128 2HA HEC 128 9.328 1.822 -1.466 532 1HBA HEC 128 3HB HEC 128 9.970 -0.310 -0.835 533 2HBA HEC 128 4HB HEC 128 8.788 -1.081 -1.918 534 1HMB HEC 128 1HM HEC 128 0.422 -1.738 -3.620 535 2HMB HEC 128 2HM HEC 128 1.852 -1.064 -4.436 536 3HMB HEC 128 3HM HEC 128 2.045 -2.342 -3.214 537 HAB HEC 128 HT2 HEC 128 -1.434 0.631 -1.280 538 1HBB HEC 128 1HT HEC 128 -1.576 -0.366 0.601 539 2HBB HEC 128 2HT HEC 128 -1.913 -1.819 -0.370 540 3HBB HEC 128 3HT HEC 128 -0.268 -1.518 0.239 541 1HMC HEC 128 1HM HEC 128 -1.436 4.435 2.571 542 2HMC HEC 128 2HM HEC 128 -1.850 4.533 0.843 543 3HMC HEC 128 3HM HEC 128 -1.508 2.954 1.589 544 HAC HEC 128 HT4 HEC 128 1.681 7.126 2.306 545 1HBC HEC 128 1HT HEC 128 0.320 7.281 4.099 546 2HBC HEC 128 2HT HEC 128 -1.129 6.924 3.129 547 3HBC HEC 128 3HT HEC 128 -0.137 5.592 3.769 548 1HMD HEC 128 1HM HEC 128 6.325 7.250 2.770 549 2HMD HEC 128 2HM HEC 128 6.778 8.069 1.256 550 3HMD HEC 128 3HM HEC 128 5.064 7.922 1.709 551 1HAD HEC 128 1HA HEC 128 9.089 5.183 -0.060 552 2HAD HEC 128 2HA HEC 128 8.608 6.785 0.550 553 1HBD HEC 128 3HB HEC 128 10.050 5.682 2.138 554 2HBD HEC 128 4HB HEC 128 8.410 5.832 2.813 555 HHA HEC 158 HGM HEC 158 -3.493 -7.535 -7.221 556 HHB HEC 158 HDM HEC 158 -2.457 -5.861 -13.146 557 HHC HEC 158 HAM HEC 158 -0.554 -0.180 -11.093 558 HHD HEC 158 HBM HEC 158 -1.212 -2.186 -5.231 559 1HMA HEC 158 1HM HEC 158 -3.368 -8.991 -12.507 560 2HMA HEC 158 2HM HEC 158 -5.038 -8.408 -12.306 561 3HMA HEC 158 3HM HEC 158 -3.876 -7.463 -13.265 562 1HAA HEC 158 1HA HEC 158 -4.624 -8.748 -8.178 563 2HAA HEC 158 2HA HEC 158 -5.608 -8.910 -9.652 564 1HBA HEC 158 3HB HEC 158 -2.913 -9.834 -10.244 565 2HBA HEC 158 4HB HEC 158 -3.468 -10.642 -8.760 566 1HMB HEC 158 1HM HEC 158 -0.570 -4.934 -14.690 567 2HMB HEC 158 2HM HEC 158 -2.208 -4.386 -15.114 568 3HMB HEC 158 3HM HEC 158 -0.806 -3.340 -15.443 569 HAB HEC 158 HT2 HEC 158 0.358 -0.645 -13.411 570 1HBB HEC 158 1HT HEC 158 -0.881 0.995 -12.877 571 2HBB HEC 158 2HT HEC 158 -1.613 0.824 -14.491 572 3HBB HEC 158 3HT HEC 158 -2.391 0.074 -13.078 573 1HMC HEC 158 1HM HEC 158 0.392 2.028 -8.293 574 2HMC HEC 158 2HM HEC 158 1.011 1.218 -9.752 575 3HMC HEC 158 3HM HEC 158 -0.660 1.830 -9.714 576 HAC HEC 158 HT4 HEC 158 0.095 -0.472 -5.186 577 1HBC HEC 158 1HT HEC 158 -0.513 2.184 -6.518 578 2HBC HEC 158 2HT HEC 158 -1.329 1.414 -5.137 579 3HBC HEC 158 3HT HEC 158 0.300 2.100 -4.937 580 1HMD HEC 158 1HM HEC 158 -1.783 -2.921 -3.453 581 2HMD HEC 158 2HM HEC 158 -2.730 -4.309 -2.869 582 3HMD HEC 158 3HM HEC 158 -0.976 -4.471 -3.118 583 1HAD HEC 158 1HA HEC 158 -3.520 -6.161 -3.414 584 2HAD HEC 158 2HA HEC 158 -4.528 -6.743 -4.760 585 1HBD HEC 158 3HB HEC 158 -1.982 -7.915 -5.085 586 2HBD HEC 158 4HB HEC 158 -2.416 -8.074 -3.366 Start of MODEL 12 1 H ALA 1 HN ALA 1 9.858 -9.975 7.834 2 HA ALA 1 HA ALA 1 7.341 -9.616 8.800 3 1HB ALA 1 1HB ALA 1 9.206 -8.895 11.056 4 2HB ALA 1 2HB ALA 1 7.450 -9.185 11.088 5 3HB ALA 1 3HB ALA 1 8.576 -10.555 10.932 6 H ASP 2 HN ASP 2 7.083 -7.171 9.620 7 HA ASP 2 HA ASP 2 7.666 -5.038 9.471 8 1HB ASP 2 2HB ASP 2 9.975 -5.663 7.599 9 2HB ASP 2 3HB ASP 2 9.761 -4.248 8.611 10 H VAL 3 HN VAL 3 7.330 -7.388 6.948 11 HA VAL 3 HA VAL 3 6.214 -5.333 5.183 12 HB VAL 3 HB VAL 3 7.096 -6.736 3.272 13 1HG1 VAL 3 1HG VAL 3 9.480 -5.649 4.688 14 2HG1 VAL 3 2HG VAL 3 8.866 -5.323 3.049 15 3HG1 VAL 3 3HG VAL 3 8.106 -4.541 4.455 16 1HG2 VAL 3 1HG VAL 3 8.538 -8.458 3.563 17 2HG2 VAL 3 2HG VAL 3 9.326 -7.703 4.970 18 3HG2 VAL 3 3HG VAL 3 7.776 -8.555 5.169 19 H VAL 4 HN VAL 4 4.836 -6.555 3.389 20 HA VAL 4 HA VAL 4 3.607 -8.940 4.519 21 HB VAL 4 HB VAL 4 2.250 -6.297 4.049 22 1HG1 VAL 4 1HG VAL 4 1.222 -8.906 3.351 23 2HG1 VAL 4 2HG VAL 4 0.271 -8.205 4.682 24 3HG1 VAL 4 3HG VAL 4 0.468 -7.304 3.159 25 1HG2 VAL 4 1HG VAL 4 2.635 -8.177 6.350 26 2HG2 VAL 4 2HG VAL 4 2.742 -6.400 6.293 27 3HG2 VAL 4 3HG VAL 4 1.150 -7.197 6.284 28 H THR 5 HN THR 5 4.988 -9.719 2.654 29 HA THR 5 HA THR 5 4.731 -8.989 0.054 30 HB THR 5 HB THR 5 4.941 -11.785 1.290 31 HG1 THR 5 HG1 THR 5 6.867 -9.852 0.212 32 1HG2 THR 5 1HG THR 5 6.226 -12.297 -0.814 33 2HG2 THR 5 2HG THR 5 4.510 -11.963 -1.150 34 3HG2 THR 5 3HG THR 5 5.739 -10.715 -1.469 35 H TYR 6 HN TYR 6 3.503 -9.794 -1.777 36 HA TYR 6 HA TYR 6 1.042 -11.157 -1.261 37 1HB TYR 6 2HB TYR 6 1.315 -8.219 -1.217 38 2HB TYR 6 3HB TYR 6 0.306 -8.688 -2.571 39 HD1 TYR 6 HD1 TYR 6 0.300 -7.858 0.843 40 HD2 TYR 6 HD2 TYR 6 -1.598 -10.468 -1.966 41 HE1 TYR 6 HE1 TYR 6 -1.693 -8.096 2.401 42 HE2 TYR 6 HE2 TYR 6 -3.586 -10.698 -0.397 43 HH TYR 6 HH TYR 6 -3.683 -10.361 2.445 44 H GLU 7 HN GLU 7 3.359 -11.667 -2.892 45 HA GLU 7 HA GLU 7 3.409 -10.800 -5.392 46 1HB GLU 7 2HB GLU 7 4.624 -12.818 -4.129 47 2HB GLU 7 3HB GLU 7 3.458 -13.791 -5.004 48 1HG GLU 7 2HG GLU 7 4.483 -11.911 -6.895 49 2HG GLU 7 3HG GLU 7 5.871 -12.493 -5.998 50 H ASN 8 HN ASN 8 2.562 -11.775 -7.497 51 HA ASN 8 HA ASN 8 0.052 -13.122 -7.247 52 1HB ASN 8 2HB ASN 8 -0.942 -11.269 -8.880 53 2HB ASN 8 3HB ASN 8 -0.973 -11.002 -7.148 54 1HD2 ASN 8 1HD ASN 8 0.418 -9.550 -6.188 55 2HD2 ASN 8 2HD ASN 8 1.318 -8.362 -7.069 56 H LYS 9 HN LYS 9 -0.730 -13.809 -9.490 57 HA LYS 9 HA LYS 9 1.227 -14.880 -11.030 58 1HB LYS 9 2HB LYS 9 -1.652 -14.330 -11.318 59 2HB LYS 9 3HB LYS 9 -0.804 -14.478 -12.843 60 1HG LYS 9 2HG LYS 9 -0.348 -16.510 -10.632 61 2HG LYS 9 3HG LYS 9 -1.739 -16.648 -11.688 62 1HD LYS 9 2HD LYS 9 1.005 -16.260 -12.909 63 2HD LYS 9 3HD LYS 9 0.551 -17.846 -12.318 64 1HE LYS 9 2HE LYS 9 -1.435 -16.412 -14.070 65 2HE LYS 9 3HE LYS 9 0.008 -17.039 -14.842 66 1HZ LYS 9 1HZ LYS 9 -1.301 -18.838 -13.021 67 2HZ LYS 9 2HZ LYS 9 -2.138 -18.488 -14.379 68 3HZ LYS 9 3HZ LYS 9 -0.642 -19.134 -14.485 69 H LYS 10 HN LYS 10 -0.595 -11.830 -11.818 70 HA LYS 10 HA LYS 10 0.745 -11.089 -14.034 71 1HB LYS 10 2HB LYS 10 -0.806 -9.763 -11.950 72 2HB LYS 10 3HB LYS 10 0.407 -8.696 -12.630 73 1HG LYS 10 2HG LYS 10 -1.207 -10.379 -14.543 74 2HG LYS 10 3HG LYS 10 -2.009 -9.021 -13.780 75 1HD LYS 10 2HD LYS 10 -0.837 -7.480 -15.002 76 2HD LYS 10 3HD LYS 10 0.683 -8.327 -14.790 77 1HE LYS 10 2HE LYS 10 -0.420 -10.087 -16.477 78 2HE LYS 10 3HE LYS 10 -1.427 -8.725 -16.919 79 1HZ LYS 10 1HZ LYS 10 0.774 -7.494 -17.103 80 2HZ LYS 10 2HZ LYS 10 1.472 -8.970 -17.141 81 3HZ LYS 10 3HZ LYS 10 0.390 -8.548 -18.289 82 H GLY 11 HN GLY 11 1.659 -9.712 -10.799 83 1HA GLY 11 1HA GLY 11 4.481 -10.152 -11.483 84 2HA GLY 11 2HA GLY 11 3.933 -8.514 -11.183 85 H ASN 12 HN ASN 12 3.663 -7.780 -9.075 86 HA ASN 12 HA ASN 12 3.086 -9.446 -6.947 87 1HB ASN 12 2HB ASN 12 5.223 -9.582 -5.769 88 2HB ASN 12 3HB ASN 12 5.469 -10.235 -7.377 89 1HD2 ASN 12 1HD ASN 12 6.852 -8.422 -5.118 90 2HD2 ASN 12 2HD ASN 12 7.811 -7.324 -6.054 91 H VAL 13 HN VAL 13 2.635 -8.104 -5.090 92 HA VAL 13 HA VAL 13 3.437 -5.293 -5.359 93 HB VAL 13 HB VAL 13 1.139 -5.548 -6.102 94 1HG1 VAL 13 1HG VAL 13 -0.211 -6.186 -3.666 95 2HG1 VAL 13 2HG VAL 13 -0.235 -7.062 -5.215 96 3HG1 VAL 13 3HG VAL 13 0.989 -7.460 -3.985 97 1HG2 VAL 13 1HG VAL 13 0.354 -3.705 -5.002 98 2HG2 VAL 13 2HG VAL 13 0.763 -4.348 -3.393 99 3HG2 VAL 13 3HG VAL 13 2.039 -3.665 -4.430 100 H THR 14 HN THR 14 5.201 -6.449 -3.956 101 HA THR 14 HA THR 14 4.581 -7.336 -1.383 102 HB THR 14 HB THR 14 7.071 -6.061 -2.627 103 HG1 THR 14 HG1 THR 14 6.049 -8.737 -1.987 104 1HG2 THR 14 1HG THR 14 8.271 -6.518 -0.709 105 2HG2 THR 14 2HG THR 14 6.693 -6.387 0.104 106 3HG2 THR 14 3HG THR 14 7.323 -7.985 -0.364 107 H PHE 15 HN PHE 15 3.637 -6.335 0.268 108 HA PHE 15 HA PHE 15 3.391 -3.497 0.245 109 1HB PHE 15 2HB PHE 15 2.712 -5.814 2.138 110 2HB PHE 15 3HB PHE 15 2.369 -4.157 2.597 111 HD1 PHE 15 HD1 PHE 15 1.839 -6.347 -0.392 112 HD2 PHE 15 HD2 PHE 15 0.210 -3.456 2.253 113 HE1 PHE 15 HE1 PHE 15 -0.350 -6.461 -1.615 114 HE2 PHE 15 HE2 PHE 15 -1.979 -3.570 1.031 115 HZ PHE 15 HZ PHE 15 -2.233 -5.070 -0.889 116 H ASP 16 HN ASP 16 3.614 -2.667 2.857 117 HA ASP 16 HA ASP 16 6.179 -3.475 3.836 118 1HB ASP 16 2HB ASP 16 5.967 -0.519 3.558 119 2HB ASP 16 3HB ASP 16 7.370 -1.554 3.382 120 H HIS 17 HN HIS 17 5.775 -3.622 6.047 121 HA HIS 17 HA HIS 17 3.654 -1.960 7.133 122 1HB HIS 17 2HB HIS 17 4.344 -4.633 7.462 123 2HB HIS 17 3HB HIS 17 4.913 -3.885 8.941 124 HD1 HIS 17 HD1 HIS 17 3.093 -4.871 10.458 125 HD2 HIS 17 HD2 HIS 17 1.567 -2.674 7.227 126 HE1 HIS 17 HE1 HIS 17 0.598 -4.579 10.906 127 H LYS 18 HN LYS 18 7.070 -2.946 7.884 128 HA LYS 18 HA LYS 18 7.287 -0.762 9.753 129 1HB LYS 18 2HB LYS 18 8.401 -3.253 9.628 130 2HB LYS 18 3HB LYS 18 9.705 -2.281 8.978 131 1HG LYS 18 2HG LYS 18 10.135 -2.179 11.288 132 2HG LYS 18 3HG LYS 18 9.250 -0.690 11.021 133 1HD LYS 18 2HD LYS 18 7.192 -2.509 11.487 134 2HD LYS 18 3HD LYS 18 8.454 -3.108 12.545 135 1HE LYS 18 2HE LYS 18 8.661 -0.459 13.123 136 2HE LYS 18 3HE LYS 18 6.977 -0.492 12.639 137 1HZ LYS 18 1HZ LYS 18 7.888 -1.170 15.054 138 2HZ LYS 18 2HZ LYS 18 6.437 -1.617 14.455 139 3HZ LYS 18 3HZ LYS 18 7.707 -2.640 14.366 140 H ALA 19 HN ALA 19 8.435 -1.660 6.463 141 HA ALA 19 HA ALA 19 10.233 0.389 6.081 142 1HB ALA 19 1HB ALA 19 8.952 -1.647 4.568 143 2HB ALA 19 2HB ALA 19 8.716 -0.124 3.677 144 3HB ALA 19 3HB ALA 19 10.359 -0.661 4.101 145 H HIS 20 HN HIS 20 6.689 0.411 6.204 146 HA HIS 20 HA HIS 20 6.682 3.152 5.218 147 1HB HIS 20 2HB HIS 20 4.598 1.014 5.544 148 2HB HIS 20 3HB HIS 20 4.104 2.695 5.505 149 HD1 HIS 20 HD1 HIS 20 3.879 0.182 3.279 150 HD2 HIS 20 HD2 HIS 20 6.032 3.776 3.058 151 HE1 HIS 20 HE1 HIS 20 4.258 0.637 0.797 152 H ALA 21 HN ALA 21 5.098 1.265 7.901 153 HA ALA 21 HA ALA 21 4.251 3.227 9.479 154 1HB ALA 21 1HB ALA 21 4.856 1.702 11.410 155 2HB ALA 21 2HB ALA 21 3.987 0.909 10.075 156 3HB ALA 21 3HB ALA 21 5.746 0.692 10.246 157 H GLU 22 HN GLU 22 7.676 2.246 9.013 158 HA GLU 22 HA GLU 22 8.884 3.519 11.022 159 1HB GLU 22 2HB GLU 22 10.836 3.787 9.515 160 2HB GLU 22 3HB GLU 22 10.081 2.219 9.315 161 1HG GLU 22 2HG GLU 22 10.153 2.752 7.083 162 2HG GLU 22 3HG GLU 22 8.675 3.625 7.442 163 H LYS 23 HN LYS 23 7.458 4.998 8.079 164 HA LYS 23 HA LYS 23 8.132 7.630 9.193 165 1HB LYS 23 2HB LYS 23 8.052 8.504 6.967 166 2HB LYS 23 3HB LYS 23 9.101 7.100 6.963 167 1HG LYS 23 2HG LYS 23 7.085 5.714 6.197 168 2HG LYS 23 3HG LYS 23 6.204 7.217 6.009 169 1HD LYS 23 2HD LYS 23 7.242 7.694 4.040 170 2HD LYS 23 3HD LYS 23 8.829 7.386 4.715 171 1HE LYS 23 2HE LYS 23 7.150 4.956 4.242 172 2HE LYS 23 3HE LYS 23 7.650 5.812 2.798 173 1HZ LYS 23 1HZ LYS 23 9.839 5.437 3.256 174 2HZ LYS 23 2HZ LYS 23 9.622 5.253 4.865 175 3HZ LYS 23 3HZ LYS 23 9.182 4.060 3.839 176 H LEU 24 HN LEU 24 5.558 5.847 7.348 177 HA LEU 24 HA LEU 24 3.534 7.584 7.491 178 1HB LEU 24 2HB LEU 24 3.626 4.602 7.785 179 2HB LEU 24 3HB LEU 24 2.096 5.449 7.899 180 HG LEU 24 HG LEU 24 2.650 6.483 5.627 181 1HD1 LEU 24 1HD LEU 24 4.959 4.647 5.971 182 2HD1 LEU 24 2HD LEU 24 4.191 4.683 4.365 183 3HD1 LEU 24 3HD LEU 24 4.826 6.184 5.083 184 1HD2 LEU 24 1HD LEU 24 2.301 3.479 5.606 185 2HD2 LEU 24 2HD LEU 24 1.019 4.613 6.094 186 3HD2 LEU 24 3HD LEU 24 1.678 4.673 4.442 187 H GLY 25 HN GLY 25 3.644 4.985 10.008 188 1HA GLY 25 1HA GLY 25 3.942 5.718 12.338 189 2HA GLY 25 2HA GLY 25 2.862 7.050 11.981 190 H CYS 26 HN CYS 26 1.976 4.217 10.230 191 HA CYS 26 HA CYS 26 0.520 2.576 10.586 192 1HB CYS 26 2HB CYS 26 -0.205 3.403 13.360 193 2HB CYS 26 3HB CYS 26 -0.114 1.802 12.652 194 H ASP 27 HN ASP 27 -0.363 5.631 12.359 195 HA ASP 27 HA ASP 27 -3.058 5.466 11.674 196 1HB ASP 27 2HB ASP 27 -1.359 7.903 12.388 197 2HB ASP 27 3HB ASP 27 -3.111 7.876 12.384 198 H ALA 28 HN ALA 28 -2.229 4.900 9.250 199 HA ALA 28 HA ALA 28 -2.456 7.401 7.744 200 1HB ALA 28 1HB ALA 28 -0.368 5.222 7.450 201 2HB ALA 28 2HB ALA 28 -0.797 6.302 6.101 202 3HB ALA 28 3HB ALA 28 -0.127 6.979 7.606 203 H CYS 29 HN CYS 29 -2.500 3.775 7.689 204 HA CYS 29 HA CYS 29 -4.635 3.994 5.696 205 1HB CYS 29 2HB CYS 29 -3.825 1.350 5.709 206 2HB CYS 29 3HB CYS 29 -3.435 2.566 4.510 207 H HIS 30 HN HIS 30 -3.741 3.221 8.958 208 HA HIS 30 HA HIS 30 -6.106 1.548 9.296 209 1HB HIS 30 2HB HIS 30 -3.669 2.028 11.023 210 2HB HIS 30 3HB HIS 30 -5.084 1.168 11.597 211 HD1 HIS 30 HD1 HIS 30 -5.799 -0.910 9.743 212 HD2 HIS 30 HD2 HIS 30 -1.798 0.314 10.043 213 HE1 HIS 30 HE1 HIS 30 -4.394 -2.821 8.802 214 H GLU 31 HN GLU 31 -6.796 2.037 11.924 215 HA GLU 31 HA GLU 31 -6.823 4.587 12.807 216 1HB GLU 31 2HB GLU 31 -8.311 4.493 10.407 217 2HB GLU 31 3HB GLU 31 -9.524 4.515 11.672 218 1HG GLU 31 2HG GLU 31 -7.292 6.409 12.156 219 2HG GLU 31 3HG GLU 31 -8.182 6.748 10.685 220 H GLY 32 HN GLY 32 -7.294 4.164 14.916 221 1HA GLY 32 1HA GLY 32 -8.199 3.211 16.739 222 2HA GLY 32 2HA GLY 32 -9.717 3.257 15.864 223 H THR 33 HN THR 33 -6.988 1.265 16.883 224 HA THR 33 HA THR 33 -6.720 -0.940 16.995 225 HB THR 33 HB THR 33 -9.672 -1.089 16.191 226 HG1 THR 33 HG1 THR 33 -9.014 0.329 18.064 227 1HG2 THR 33 1HG THR 33 -9.619 -3.117 17.675 228 2HG2 THR 33 2HG THR 33 -8.563 -3.316 16.256 229 3HG2 THR 33 3HG THR 33 -7.857 -2.925 17.843 230 HA PRO 34 HA PRO 34 -5.778 -1.447 12.744 231 1HB PRO 34 2HB PRO 34 -3.401 -2.743 13.118 232 2HB PRO 34 3HB PRO 34 -3.536 -0.998 13.025 233 1HG PRO 34 2HG PRO 34 -3.108 -2.700 15.404 234 2HG PRO 34 3HG PRO 34 -2.828 -0.981 15.220 235 1HD PRO 34 2HD PRO 34 -5.031 -2.225 16.571 236 2HD PRO 34 3HD PRO 34 -4.809 -0.509 16.286 237 H ALA 35 HN ALA 35 -6.724 -2.871 11.437 238 HA ALA 35 HA ALA 35 -6.494 -5.659 12.286 239 1HB ALA 35 1HB ALA 35 -9.096 -4.335 11.425 240 2HB ALA 35 2HB ALA 35 -8.870 -6.030 11.920 241 3HB ALA 35 3HB ALA 35 -8.668 -4.722 13.109 242 H LYS 36 HN LYS 36 -7.262 -7.136 10.400 243 HA LYS 36 HA LYS 36 -5.725 -6.532 8.171 244 1HB LYS 36 2HB LYS 36 -6.624 -8.545 7.226 245 2HB LYS 36 3HB LYS 36 -6.364 -8.804 8.939 246 1HG LYS 36 2HG LYS 36 -8.542 -9.385 9.166 247 2HG LYS 36 3HG LYS 36 -9.012 -7.761 8.705 248 1HD LYS 36 2HD LYS 36 -8.500 -10.087 6.792 249 2HD LYS 36 3HD LYS 36 -10.069 -9.432 7.215 250 1HE LYS 36 2HE LYS 36 -9.625 -7.346 6.094 251 2HE LYS 36 3HE LYS 36 -7.906 -7.674 5.989 252 1HZ LYS 36 1HZ LYS 36 -9.758 -9.522 4.720 253 2HZ LYS 36 2HZ LYS 36 -9.434 -8.102 3.981 254 3HZ LYS 36 3HZ LYS 36 -8.224 -9.149 4.305 255 H ILE 37 HN ILE 37 -6.022 -5.017 6.636 256 HA ILE 37 HA ILE 37 -8.653 -3.887 6.303 257 HB ILE 37 HB ILE 37 -6.012 -3.230 4.994 258 1HG1 ILE 37 2HG ILE 37 -7.405 -1.954 7.367 259 2HG1 ILE 37 3HG ILE 37 -5.958 -2.939 7.433 260 1HG2 ILE 37 1HG ILE 37 -7.133 -1.881 3.640 261 2HG2 ILE 37 2HG ILE 37 -8.673 -2.412 4.357 262 3HG2 ILE 37 3HG ILE 37 -7.801 -1.022 5.048 263 1HD1 ILE 37 1HD ILE 37 -5.905 -0.617 5.532 264 2HD1 ILE 37 2HD ILE 37 -5.864 -0.243 7.273 265 3HD1 ILE 37 3HD ILE 37 -4.606 -1.277 6.556 266 H ALA 38 HN ALA 38 -9.902 -3.937 4.386 267 HA ALA 38 HA ALA 38 -9.578 -6.363 2.902 268 1HB ALA 38 1HB ALA 38 -11.764 -5.332 3.697 269 2HB ALA 38 2HB ALA 38 -11.544 -4.091 2.439 270 3HB ALA 38 3HB ALA 38 -11.722 -5.802 1.980 271 H ILE 39 HN ILE 39 -7.538 -6.088 1.825 272 HA ILE 39 HA ILE 39 -7.526 -3.944 -0.173 273 HB ILE 39 HB ILE 39 -5.387 -5.457 1.274 274 1HG1 ILE 39 2HG ILE 39 -6.343 -3.238 2.061 275 2HG1 ILE 39 3HG ILE 39 -4.601 -3.334 1.900 276 1HG2 ILE 39 1HG ILE 39 -4.298 -5.741 -0.671 277 2HG2 ILE 39 2HG ILE 39 -5.295 -4.543 -1.531 278 3HG2 ILE 39 3HG ILE 39 -3.942 -4.004 -0.508 279 1HD1 ILE 39 1HD ILE 39 -4.561 -1.718 0.303 280 2HD1 ILE 39 2HD ILE 39 -5.872 -2.496 -0.617 281 3HD1 ILE 39 3HD ILE 39 -6.260 -1.402 0.733 282 H ASP 40 HN ASP 40 -7.283 -4.410 -2.377 283 HA ASP 40 HA ASP 40 -6.544 -6.794 -3.429 284 1HB ASP 40 2HB ASP 40 -8.804 -7.722 -4.154 285 2HB ASP 40 3HB ASP 40 -8.427 -7.931 -2.456 286 H LYS 41 HN LYS 41 -7.315 -6.929 -5.854 287 HA LYS 41 HA LYS 41 -7.030 -4.459 -7.052 288 1HB LYS 41 2HB LYS 41 -6.486 -6.537 -8.172 289 2HB LYS 41 3HB LYS 41 -8.157 -7.061 -8.124 290 1HG LYS 41 2HG LYS 41 -8.536 -4.687 -9.372 291 2HG LYS 41 3HG LYS 41 -6.872 -4.958 -9.852 292 1HD LYS 41 2HD LYS 41 -7.658 -6.305 -11.501 293 2HD LYS 41 3HD LYS 41 -8.085 -7.464 -10.257 294 1HE LYS 41 2HE LYS 41 -10.319 -6.295 -9.997 295 2HE LYS 41 3HE LYS 41 -9.888 -5.241 -11.329 296 1HZ LYS 41 1HZ LYS 41 -9.433 -7.834 -12.152 297 2HZ LYS 41 2HZ LYS 41 -10.904 -7.826 -11.443 298 3HZ LYS 41 3HZ LYS 41 -10.588 -6.808 -12.681 299 H LYS 42 HN LYS 42 -8.452 -2.944 -6.055 300 HA LYS 42 HA LYS 42 -10.793 -2.466 -7.406 301 1HB LYS 42 2HB LYS 42 -11.847 -4.377 -6.489 302 2HB LYS 42 3HB LYS 42 -11.213 -4.074 -4.885 303 1HG LYS 42 2HG LYS 42 -12.973 -2.738 -4.367 304 2HG LYS 42 3HG LYS 42 -12.699 -1.739 -5.779 305 1HD LYS 42 2HD LYS 42 -13.831 -4.326 -6.557 306 2HD LYS 42 3HD LYS 42 -14.843 -3.548 -5.357 307 1HE LYS 42 2HE LYS 42 -13.828 -1.795 -7.573 308 2HE LYS 42 3HE LYS 42 -15.012 -3.006 -8.024 309 1HZ LYS 42 1HZ LYS 42 -15.369 -0.645 -6.503 310 2HZ LYS 42 2HZ LYS 42 -16.483 -1.567 -7.261 311 3HZ LYS 42 3HZ LYS 42 -16.002 -1.946 -5.748 312 H SER 43 HN SER 43 -9.450 -2.387 -4.034 313 HA SER 43 HA SER 43 -10.030 0.464 -4.061 314 1HB SER 43 2HB SER 43 -10.649 -1.415 -2.156 315 2HB SER 43 3HB SER 43 -9.117 -0.835 -1.535 316 HG SER 43 HG SER 43 -11.595 0.524 -1.808 317 H ALA 44 HN ALA 44 -7.494 -2.031 -3.626 318 HA ALA 44 HA ALA 44 -5.444 -0.423 -2.696 319 1HB ALA 44 1HB ALA 44 -3.983 -2.197 -3.556 320 2HB ALA 44 2HB ALA 44 -5.436 -2.905 -2.809 321 3HB ALA 44 3HB ALA 44 -5.303 -2.810 -4.581 322 H HIS 45 HN HIS 45 -7.112 -0.409 -5.746 323 HA HIS 45 HA HIS 45 -4.878 0.945 -7.032 324 1HB HIS 45 2HB HIS 45 -7.356 -0.439 -7.992 325 2HB HIS 45 3HB HIS 45 -6.656 0.818 -8.993 326 HD1 HIS 45 HD1 HIS 45 -6.146 -1.136 -10.747 327 HD2 HIS 45 HD2 HIS 45 -4.022 -1.340 -7.136 328 HE1 HIS 45 HE1 HIS 45 -4.228 -2.774 -11.137 329 H LYS 46 HN LYS 46 -7.208 1.765 -4.895 330 HA LYS 46 HA LYS 46 -7.773 4.305 -6.262 331 1HB LYS 46 2HB LYS 46 -9.515 2.417 -4.930 332 2HB LYS 46 3HB LYS 46 -9.574 3.966 -4.115 333 1HG LYS 46 2HG LYS 46 -9.881 5.057 -6.417 334 2HG LYS 46 3HG LYS 46 -10.055 3.445 -7.083 335 1HD LYS 46 2HD LYS 46 -11.796 3.472 -4.853 336 2HD LYS 46 3HD LYS 46 -12.001 5.052 -5.582 337 1HE LYS 46 2HE LYS 46 -11.901 2.881 -7.590 338 2HE LYS 46 3HE LYS 46 -13.213 2.680 -6.446 339 1HZ LYS 46 1HZ LYS 46 -13.438 5.243 -6.974 340 2HZ LYS 46 2HZ LYS 46 -12.807 4.753 -8.398 341 3HZ LYS 46 3HZ LYS 46 -14.198 4.093 -7.851 342 H ASP 47 HN ASP 47 -8.655 5.702 -3.936 343 HA ASP 47 HA ASP 47 -6.469 6.898 -3.088 344 1HB ASP 47 2HB ASP 47 -8.715 7.632 -2.445 345 2HB ASP 47 3HB ASP 47 -8.953 6.204 -1.458 346 H ALA 48 HN ALA 48 -7.672 3.701 -2.113 347 HA ALA 48 HA ALA 48 -6.636 3.182 0.285 348 1HB ALA 48 1HB ALA 48 -6.596 0.915 -0.358 349 2HB ALA 48 2HB ALA 48 -7.763 1.650 -1.485 350 3HB ALA 48 3HB ALA 48 -6.102 1.299 -2.025 351 H CYS 49 HN CYS 49 -4.712 2.929 -2.794 352 HA CYS 49 HA CYS 49 -2.351 3.456 -1.140 353 1HB CYS 49 2HB CYS 49 -2.618 1.601 -3.511 354 2HB CYS 49 3HB CYS 49 -1.079 2.117 -2.849 355 H LYS 50 HN LYS 50 -3.829 3.581 -4.458 356 HA LYS 50 HA LYS 50 -2.161 5.086 -5.846 357 1HB LYS 50 2HB LYS 50 -5.045 4.729 -5.768 358 2HB LYS 50 3HB LYS 50 -4.625 6.339 -6.322 359 1HG LYS 50 2HG LYS 50 -3.003 4.085 -7.458 360 2HG LYS 50 3HG LYS 50 -4.679 4.157 -7.962 361 1HD LYS 50 2HD LYS 50 -4.249 6.672 -8.473 362 2HD LYS 50 3HD LYS 50 -2.545 6.305 -8.294 363 1HE LYS 50 2HE LYS 50 -2.866 6.007 -10.608 364 2HE LYS 50 3HE LYS 50 -3.001 4.364 -10.010 365 1HZ LYS 50 1HZ LYS 50 -5.255 4.387 -10.277 366 2HZ LYS 50 2HZ LYS 50 -5.396 6.011 -10.189 367 3HZ LYS 50 3HZ LYS 50 -4.802 5.315 -11.542 368 H THR 51 HN THR 51 -4.768 6.789 -3.979 369 HA THR 51 HA THR 51 -3.877 9.292 -4.064 370 HB THR 51 HB THR 51 -5.121 7.635 -1.839 371 HG1 THR 51 HG1 THR 51 -5.806 9.863 -3.625 372 1HG2 THR 51 1HG THR 51 -4.712 10.672 -1.828 373 2HG2 THR 51 2HG THR 51 -5.627 9.725 -0.630 374 3HG2 THR 51 3HG THR 51 -3.859 9.546 -0.744 375 H CYS 52 HN CYS 52 -3.009 7.524 -1.048 376 HA CYS 52 HA CYS 52 -0.860 9.188 -0.533 377 1HB CYS 52 2HB CYS 52 -1.791 8.003 1.267 378 2HB CYS 52 3HB CYS 52 -1.636 6.456 0.459 379 H HIS 53 HN HIS 53 0.724 9.434 -2.117 380 HA HIS 53 HA HIS 53 2.781 7.803 -2.409 381 1HB HIS 53 2HB HIS 53 0.501 6.651 -3.852 382 2HB HIS 53 3HB HIS 53 1.914 6.866 -4.866 383 HD1 HIS 53 HD1 HIS 53 2.073 4.205 -4.937 384 HD2 HIS 53 HD2 HIS 53 2.725 5.951 -1.178 385 HE1 HIS 53 HE1 HIS 53 3.147 2.402 -3.487 386 H LYS 54 HN LYS 54 0.359 9.572 -4.423 387 HA LYS 54 HA LYS 54 2.385 10.674 -6.104 388 1HB LYS 54 2HB LYS 54 0.439 12.073 -6.928 389 2HB LYS 54 3HB LYS 54 0.282 10.337 -7.110 390 1HG LYS 54 2HG LYS 54 -1.332 10.157 -5.413 391 2HG LYS 54 3HG LYS 54 -0.770 11.588 -4.573 392 1HD LYS 54 2HD LYS 54 -1.594 12.931 -6.641 393 2HD LYS 54 3HD LYS 54 -2.415 11.463 -7.134 394 1HE LYS 54 2HE LYS 54 -3.859 11.477 -5.241 395 2HE LYS 54 3HE LYS 54 -2.805 12.530 -4.320 396 1HZ LYS 54 1HZ LYS 54 -4.923 13.359 -5.680 397 2HZ LYS 54 2HZ LYS 54 -3.663 14.323 -5.291 398 3HZ LYS 54 3HZ LYS 54 -3.751 13.653 -6.778 399 H SER 55 HN SER 55 3.552 11.211 -3.851 400 HA SER 55 HA SER 55 2.913 14.015 -3.401 401 1HB SER 55 2HB SER 55 2.164 12.520 -1.480 402 2HB SER 55 3HB SER 55 3.843 12.089 -1.229 403 HG SER 55 HG SER 55 4.179 13.948 -0.222 404 H ASN 56 HN ASN 56 5.357 11.368 -2.901 405 HA ASN 56 HA ASN 56 7.414 13.380 -3.298 406 1HB ASN 56 2HB ASN 56 7.281 11.603 -1.287 407 2HB ASN 56 3HB ASN 56 7.996 10.523 -2.467 408 1HD2 ASN 56 1HD ASN 56 9.799 11.697 -3.811 409 2HD2 ASN 56 2HD ASN 56 11.018 12.495 -2.874 410 H ASN 57 HN ASN 57 6.933 9.816 -3.941 411 HA ASN 57 HA ASN 57 8.323 10.200 -6.454 412 1HB ASN 57 2HB ASN 57 7.629 7.736 -4.785 413 2HB ASN 57 3HB ASN 57 8.237 7.588 -6.423 414 1HD2 ASN 57 1HD ASN 57 9.093 7.533 -3.290 415 2HD2 ASN 57 2HD ASN 57 10.757 8.009 -3.366 416 H GLY 58 HN GLY 58 5.502 8.339 -5.064 417 1HA GLY 58 1HA GLY 58 3.391 8.086 -5.844 418 2HA GLY 58 2HA GLY 58 3.730 9.219 -7.138 419 HA PRO 59 HA PRO 59 5.210 4.979 -8.656 420 1HB PRO 59 2HB PRO 59 4.936 2.775 -7.064 421 2HB PRO 59 3HB PRO 59 6.420 3.700 -7.172 422 1HG PRO 59 2HG PRO 59 4.419 3.653 -4.997 423 2HG PRO 59 3HG PRO 59 6.076 4.220 -4.951 424 1HD PRO 59 2HD PRO 59 3.712 5.839 -5.075 425 2HD PRO 59 3HD PRO 59 5.372 6.400 -5.146 426 H THR 60 HN THR 60 2.932 6.106 -9.238 427 HA THR 60 HA THR 60 1.028 3.857 -9.240 428 HB THR 60 HB THR 60 -0.710 5.589 -9.338 429 HG1 THR 60 HG1 THR 60 -0.023 7.760 -9.705 430 1HG2 THR 60 1HG THR 60 -0.470 5.905 -7.087 431 2HG2 THR 60 2HG THR 60 1.272 5.556 -7.195 432 3HG2 THR 60 3HG THR 60 0.680 7.216 -7.443 433 H LYS 61 HN LYS 61 2.685 3.168 -11.024 434 HA LYS 61 HA LYS 61 1.346 3.706 -13.488 435 1HB LYS 61 2HB LYS 61 3.261 4.595 -14.707 436 2HB LYS 61 3HB LYS 61 2.780 5.680 -13.420 437 1HG LYS 61 2HG LYS 61 4.578 4.536 -11.959 438 2HG LYS 61 3HG LYS 61 5.146 3.757 -13.422 439 1HD LYS 61 2HD LYS 61 5.770 5.832 -14.433 440 2HD LYS 61 3HD LYS 61 4.783 6.772 -13.332 441 1HE LYS 61 2HE LYS 61 6.443 6.882 -11.770 442 2HE LYS 61 3HE LYS 61 6.769 5.163 -11.876 443 1HZ LYS 61 1HZ LYS 61 7.793 7.262 -13.651 444 2HZ LYS 61 2HZ LYS 61 8.652 6.299 -12.649 445 3HZ LYS 61 3HZ LYS 61 7.947 5.670 -13.980 446 H CYS 62 HN CYS 62 1.522 1.407 -11.924 447 HA CYS 62 HA CYS 62 1.926 -0.739 -12.152 448 1HB CYS 62 2HB CYS 62 2.563 0.257 -14.832 449 2HB CYS 62 3HB CYS 62 3.433 -1.208 -14.420 450 H GLY 63 HN GLY 63 4.865 0.627 -13.808 451 1HA GLY 63 1HA GLY 63 6.761 -0.940 -12.613 452 2HA GLY 63 2HA GLY 63 7.029 0.693 -13.190 453 H GLY 64 HN GLY 64 4.869 1.687 -11.189 454 1HA GLY 64 1HA GLY 64 6.558 2.575 -9.180 455 2HA GLY 64 2HA GLY 64 4.808 2.534 -9.109 456 H CYS 65 HN CYS 65 3.776 0.339 -8.556 457 HA CYS 65 HA CYS 65 5.297 -0.764 -6.354 458 1HB CYS 65 2HB CYS 65 2.554 -1.731 -6.933 459 2HB CYS 65 3HB CYS 65 3.325 -1.362 -5.403 460 H HIS 66 HN HIS 66 3.095 -2.118 -8.928 461 HA HIS 66 HA HIS 66 4.041 -4.680 -8.814 462 1HB HIS 66 2HB HIS 66 2.816 -3.086 -11.070 463 2HB HIS 66 3HB HIS 66 3.197 -4.788 -11.233 464 HD1 HIS 66 HD1 HIS 66 1.508 -6.444 -10.337 465 HD2 HIS 66 HD2 HIS 66 0.836 -2.539 -8.960 466 HE1 HIS 66 HE1 HIS 66 -0.726 -6.495 -9.105 467 H ILE 67 HN ILE 67 5.540 -5.908 -10.130 468 HA ILE 67 HA ILE 67 7.604 -4.220 -11.361 469 HB ILE 67 HB ILE 67 7.947 -6.626 -9.575 470 1HG1 ILE 67 2HG ILE 67 7.525 -4.366 -8.523 471 2HG1 ILE 67 3HG ILE 67 9.004 -5.177 -8.042 472 1HG2 ILE 67 1HG ILE 67 9.828 -5.315 -11.506 473 2HG2 ILE 67 2HG ILE 67 10.454 -5.987 -9.981 474 3HG2 ILE 67 3HG ILE 67 9.592 -7.039 -11.129 475 1HD1 ILE 67 1HD ILE 67 8.740 -2.575 -9.176 476 2HD1 ILE 67 2HD ILE 67 10.248 -3.439 -8.784 477 3HD1 ILE 67 3HD ILE 67 9.536 -3.583 -10.409 478 H LYS 68 HN LYS 68 8.407 -4.903 -13.345 479 HA LYS 68 HA LYS 68 6.744 -6.610 -14.829 480 1HB LYS 68 2HB LYS 68 8.348 -4.626 -15.511 481 2HB LYS 68 3HB LYS 68 9.525 -5.908 -15.706 482 1HG LYS 68 2HG LYS 68 6.754 -6.002 -16.978 483 2HG LYS 68 3HG LYS 68 8.153 -5.331 -17.795 484 1HD LYS 68 2HD LYS 68 8.849 -7.932 -16.691 485 2HD LYS 68 3HD LYS 68 7.375 -8.081 -17.627 486 1HE LYS 68 2HE LYS 68 8.552 -6.818 -19.519 487 2HE LYS 68 3HE LYS 68 10.033 -6.924 -18.588 488 1HZ LYS 68 1HZ LYS 68 9.673 -9.358 -18.562 489 2HZ LYS 68 2HZ LYS 68 8.440 -9.164 -19.615 490 3HZ LYS 68 3HZ LYS 68 9.958 -8.746 -20.049 491 HHA HEC 98 HGM HEC 98 -3.965 -5.715 8.282 492 HHB HEC 98 HDM HEC 98 -1.231 -3.395 13.393 493 HHC HEC 98 HAM HEC 98 1.733 0.851 9.748 494 HHD HEC 98 HBM HEC 98 -1.436 -1.300 4.835 495 1HMA HEC 98 1HM HEC 98 -1.575 -6.441 13.467 496 2HMA HEC 98 2HM HEC 98 -2.619 -5.120 14.042 497 3HMA HEC 98 3HM HEC 98 -3.346 -6.608 13.391 498 1HAA HEC 98 1HA HEC 98 -3.998 -7.582 11.508 499 2HAA HEC 98 2HA HEC 98 -4.760 -6.837 10.084 500 1HBA HEC 98 3HB HEC 98 -3.719 -8.546 8.911 501 2HBA HEC 98 4HB HEC 98 -2.264 -7.533 9.066 502 1HMB HEC 98 1HM HEC 98 1.075 -1.551 14.860 503 2HMB HEC 98 2HM HEC 98 -0.200 -0.313 14.781 504 3HMB HEC 98 3HM HEC 98 -0.629 -2.038 14.690 505 HAB HEC 98 HT2 HEC 98 2.175 1.343 11.674 506 1HBB HEC 98 1HT HEC 98 3.410 -0.591 13.562 507 2HBB HEC 98 2HT HEC 98 3.837 -0.262 11.864 508 3HBB HEC 98 3HT HEC 98 4.059 1.002 13.098 509 1HMC HEC 98 1HM HEC 98 1.500 2.969 7.315 510 2HMC HEC 98 2HM HEC 98 2.487 1.980 8.417 511 3HMC HEC 98 3HM HEC 98 2.762 1.901 6.661 512 HAC HEC 98 HT4 HEC 98 -1.054 1.323 4.741 513 1HBC HEC 98 1HT HEC 98 0.416 -0.619 3.840 514 2HBC HEC 98 2HT HEC 98 0.147 0.785 2.780 515 3HBC HEC 98 3HT HEC 98 1.686 0.613 3.655 516 1HMD HEC 98 1HM HEC 98 -2.320 -2.326 3.359 517 2HMD HEC 98 2HM HEC 98 -3.133 -3.898 3.184 518 3HMD HEC 98 3HM HEC 98 -4.078 -2.451 3.608 519 1HAD HEC 98 1HA HEC 98 -4.505 -6.145 6.125 520 2HAD HEC 98 2HA HEC 98 -4.881 -5.154 4.696 521 1HBD HEC 98 3HB HEC 98 -2.672 -5.810 3.747 522 2HBD HEC 98 4HB HEC 98 -2.471 -6.924 5.121 523 HHA HEC 128 HGM HEC 128 8.282 3.947 -1.558 524 HHB HEC 128 HDM HEC 128 4.094 -0.420 -3.092 525 HHC HEC 128 HAM HEC 128 0.062 2.139 1.068 526 HHD HEC 128 HBM HEC 128 4.193 6.681 2.129 527 1HMA HEC 128 1HM HEC 128 7.844 -0.964 -3.541 528 2HMA HEC 128 2HM HEC 128 6.109 -1.349 -3.470 529 3HMA HEC 128 3HM HEC 128 6.739 -0.328 -4.782 530 1HAA HEC 128 1HA HEC 128 9.439 2.453 -2.142 531 2HAA HEC 128 2HA HEC 128 9.495 0.739 -2.620 532 1HBA HEC 128 3HB HEC 128 8.270 1.710 -4.839 533 2HBA HEC 128 4HB HEC 128 9.112 3.199 -4.349 534 1HMB HEC 128 1HM HEC 128 2.288 -1.079 -3.711 535 2HMB HEC 128 2HM HEC 128 1.456 -2.116 -2.529 536 3HMB HEC 128 3HM HEC 128 0.535 -0.909 -3.455 537 HAB HEC 128 HT2 HEC 128 -1.027 0.744 -0.047 538 1HBB HEC 128 1HT HEC 128 0.075 -0.845 1.418 539 2HBB HEC 128 2HT HEC 128 -1.593 -1.239 0.939 540 3HBB HEC 128 3HT HEC 128 -0.227 -2.102 0.195 541 1HMC HEC 128 1HM HEC 128 -1.089 5.049 2.734 542 2HMC HEC 128 2HM HEC 128 -1.124 3.425 2.006 543 3HMC HEC 128 3HM HEC 128 -0.486 3.649 3.652 544 HAC HEC 128 HT4 HEC 128 2.315 7.181 3.292 545 1HBC HEC 128 1HT HEC 128 0.050 5.684 4.240 546 2HBC HEC 128 2HT HEC 128 0.859 7.078 4.997 547 3HBC HEC 128 3HT HEC 128 -0.486 7.339 3.862 548 1HMD HEC 128 1HM HEC 128 6.257 8.638 1.105 549 2HMD HEC 128 2HM HEC 128 5.853 7.799 2.620 550 3HMD HEC 128 3HM HEC 128 7.548 7.911 2.091 551 1HAD HEC 128 1HA HEC 128 8.994 7.003 1.000 552 2HAD HEC 128 2HA HEC 128 9.459 5.359 0.497 553 1HBD HEC 128 3HB HEC 128 8.602 6.314 -1.858 554 2HBD HEC 128 4HB HEC 128 9.138 7.831 -1.097 555 HHA HEC 158 HGM HEC 158 -3.617 -7.114 -6.635 556 HHB HEC 158 HDM HEC 158 -2.602 -5.840 -12.662 557 HHC HEC 158 HAM HEC 158 -0.611 -0.065 -10.993 558 HHD HEC 158 HBM HEC 158 -1.250 -1.680 -5.011 559 1HMA HEC 158 1HM HEC 158 -3.294 -8.497 -12.198 560 2HMA HEC 158 2HM HEC 158 -4.876 -8.770 -11.432 561 3HMA HEC 158 3HM HEC 158 -4.634 -7.365 -12.497 562 1HAA HEC 158 1HA HEC 158 -4.434 -8.591 -7.539 563 2HAA HEC 158 2HA HEC 158 -5.826 -8.390 -8.630 564 1HBA HEC 158 3HB HEC 158 -3.621 -9.636 -10.093 565 2HBA HEC 158 4HB HEC 158 -3.938 -10.561 -8.606 566 1HMB HEC 158 1HM HEC 158 -2.028 -5.039 -14.402 567 2HMB HEC 158 2HM HEC 158 -1.638 -3.495 -15.196 568 3HMB HEC 158 3HM HEC 158 -0.334 -4.505 -14.527 569 HAB HEC 158 HT2 HEC 158 0.268 -0.676 -13.268 570 1HBB HEC 158 1HT HEC 158 -2.374 0.253 -14.164 571 2HBB HEC 158 2HT HEC 158 -1.884 0.387 -12.458 572 3HBB HEC 158 3HT HEC 158 -0.892 1.137 -13.732 573 1HMC HEC 158 1HM HEC 158 1.198 1.575 -9.216 574 2HMC HEC 158 2HM HEC 158 -0.326 1.713 -10.125 575 3HMC HEC 158 3HM HEC 158 -0.184 2.444 -8.509 576 HAC HEC 158 HT4 HEC 158 -0.066 0.113 -5.059 577 1HBC HEC 158 1HT HEC 158 -1.265 2.208 -5.852 578 2HBC HEC 158 2HT HEC 158 0.158 2.496 -4.824 579 3HBC HEC 158 3HT HEC 158 0.272 2.725 -6.585 580 1HMD HEC 158 1HM HEC 158 -1.058 -3.865 -2.733 581 2HMD HEC 158 2HM HEC 158 -1.765 -2.298 -3.192 582 3HMD HEC 158 3HM HEC 158 -2.802 -3.577 -2.518 583 1HAD HEC 158 1HA HEC 158 -3.573 -5.510 -2.919 584 2HAD HEC 158 2HA HEC 158 -4.630 -6.131 -4.209 585 1HBD HEC 158 3HB HEC 158 -2.392 -7.540 -4.720 586 2HBD HEC 158 4HB HEC 158 -2.237 -7.323 -2.959 Start of MODEL 13 1 H ALA 1 HN ALA 1 5.104 -10.467 8.865 2 HA ALA 1 HA ALA 1 3.519 -8.986 8.395 3 1HB ALA 1 1HB ALA 1 2.133 -8.564 10.114 4 2HB ALA 1 2HB ALA 1 3.374 -9.215 11.213 5 3HB ALA 1 3HB ALA 1 3.325 -7.471 10.861 6 H ASP 2 HN ASP 2 6.644 -8.260 9.589 7 HA ASP 2 HA ASP 2 6.675 -5.522 9.502 8 1HB ASP 2 2HB ASP 2 9.045 -5.717 9.419 9 2HB ASP 2 3HB ASP 2 8.517 -7.181 10.227 10 H VAL 3 HN VAL 3 6.051 -7.809 7.015 11 HA VAL 3 HA VAL 3 5.958 -5.794 5.021 12 HB VAL 3 HB VAL 3 8.277 -7.658 5.140 13 1HG1 VAL 3 1HG VAL 3 7.052 -8.420 3.141 14 2HG1 VAL 3 2HG VAL 3 7.034 -6.752 2.521 15 3HG1 VAL 3 3HG VAL 3 8.579 -7.613 2.714 16 1HG2 VAL 3 1HG VAL 3 7.750 -4.792 4.767 17 2HG2 VAL 3 2HG VAL 3 9.197 -5.623 5.388 18 3HG2 VAL 3 3HG VAL 3 8.955 -5.448 3.633 19 H VAL 4 HN VAL 4 4.605 -6.431 3.309 20 HA VAL 4 HA VAL 4 3.717 -9.224 3.401 21 HB VAL 4 HB VAL 4 1.996 -6.739 3.333 22 1HG1 VAL 4 1HG VAL 4 1.448 -9.557 2.544 23 2HG1 VAL 4 2HG VAL 4 0.207 -8.743 3.527 24 3HG1 VAL 4 3HG VAL 4 0.715 -8.039 1.972 25 1HG2 VAL 4 1HG VAL 4 2.959 -7.634 5.556 26 2HG2 VAL 4 2HG VAL 4 1.205 -7.340 5.457 27 3HG2 VAL 4 3HG VAL 4 1.840 -8.998 5.329 28 H THR 5 HN THR 5 5.431 -9.193 1.622 29 HA THR 5 HA THR 5 4.772 -7.758 -0.769 30 HB THR 5 HB THR 5 6.825 -9.839 0.090 31 HG1 THR 5 HG1 THR 5 6.844 -7.415 0.537 32 1HG2 THR 5 1HG THR 5 6.048 -8.968 -2.681 33 2HG2 THR 5 2HG THR 5 7.785 -8.924 -2.293 34 3HG2 THR 5 3HG THR 5 6.881 -10.451 -2.156 35 H TYR 6 HN TYR 6 2.712 -8.263 -1.474 36 HA TYR 6 HA TYR 6 1.737 -10.896 -1.582 37 1HB TYR 6 2HB TYR 6 1.181 -8.160 -2.821 38 2HB TYR 6 3HB TYR 6 0.288 -9.536 -3.437 39 HD1 TYR 6 HD1 TYR 6 0.497 -7.062 -0.845 40 HD2 TYR 6 HD2 TYR 6 -1.090 -10.927 -1.766 41 HE1 TYR 6 HE1 TYR 6 -1.177 -6.835 1.054 42 HE2 TYR 6 HE2 TYR 6 -2.760 -10.687 0.136 43 HH TYR 6 HH TYR 6 -2.539 -9.008 2.522 44 H GLU 7 HN GLU 7 2.295 -12.546 -2.904 45 HA GLU 7 HA GLU 7 3.715 -11.829 -5.332 46 1HB GLU 7 2HB GLU 7 3.487 -14.497 -3.870 47 2HB GLU 7 3HB GLU 7 4.416 -14.243 -5.334 48 1HG GLU 7 2HG GLU 7 5.285 -12.176 -3.628 49 2HG GLU 7 3HG GLU 7 5.088 -13.545 -2.551 50 H ASN 8 HN ASN 8 2.525 -11.741 -7.183 51 HA ASN 8 HA ASN 8 0.334 -13.655 -7.380 52 1HB ASN 8 2HB ASN 8 -0.753 -11.857 -8.900 53 2HB ASN 8 3HB ASN 8 -0.736 -11.510 -7.182 54 1HD2 ASN 8 1HD ASN 8 -0.112 -9.576 -6.626 55 2HD2 ASN 8 2HD ASN 8 0.953 -8.520 -7.493 56 H LYS 9 HN LYS 9 -0.351 -13.372 -10.051 57 HA LYS 9 HA LYS 9 2.158 -14.047 -11.398 58 1HB LYS 9 2HB LYS 9 -0.652 -15.002 -11.587 59 2HB LYS 9 3HB LYS 9 0.234 -14.897 -13.096 60 1HG LYS 9 2HG LYS 9 1.027 -16.965 -12.514 61 2HG LYS 9 3HG LYS 9 2.144 -16.065 -11.508 62 1HD LYS 9 2HD LYS 9 0.769 -16.357 -9.540 63 2HD LYS 9 3HD LYS 9 -0.596 -16.917 -10.486 64 1HE LYS 9 2HE LYS 9 0.871 -18.900 -11.224 65 2HE LYS 9 3HE LYS 9 2.043 -18.380 -10.031 66 1HZ LYS 9 1HZ LYS 9 0.754 -19.095 -8.378 67 2HZ LYS 9 2HZ LYS 9 -0.643 -18.592 -9.056 68 3HZ LYS 9 3HZ LYS 9 0.023 -20.010 -9.516 69 H LYS 10 HN LYS 10 1.622 -11.297 -10.863 70 HA LYS 10 HA LYS 10 1.187 -10.388 -13.616 71 1HB LYS 10 2HB LYS 10 -0.614 -9.938 -11.567 72 2HB LYS 10 3HB LYS 10 0.356 -8.479 -11.545 73 1HG LYS 10 2HG LYS 10 -1.349 -7.997 -13.126 74 2HG LYS 10 3HG LYS 10 0.036 -8.408 -14.120 75 1HD LYS 10 2HD LYS 10 -1.454 -10.826 -13.438 76 2HD LYS 10 3HD LYS 10 -2.534 -9.638 -14.142 77 1HE LYS 10 2HE LYS 10 0.138 -10.097 -15.475 78 2HE LYS 10 3HE LYS 10 -1.108 -11.312 -15.682 79 1HZ LYS 10 1HZ LYS 10 -0.964 -9.272 -17.244 80 2HZ LYS 10 2HZ LYS 10 -2.421 -9.869 -16.809 81 3HZ LYS 10 3HZ LYS 10 -1.835 -8.531 -16.079 82 H GLY 11 HN GLY 11 2.238 -9.156 -10.357 83 1HA GLY 11 1HA GLY 11 4.878 -8.588 -11.453 84 2HA GLY 11 2HA GLY 11 3.921 -7.199 -10.975 85 H ASN 12 HN ASN 12 2.517 -8.232 -8.722 86 HA ASN 12 HA ASN 12 2.732 -8.927 -6.642 87 1HB ASN 12 2HB ASN 12 5.750 -9.256 -6.895 88 2HB ASN 12 3HB ASN 12 4.667 -10.073 -5.787 89 1HD2 ASN 12 1HD ASN 12 6.291 -11.665 -7.031 90 2HD2 ASN 12 2HD ASN 12 5.552 -12.560 -8.317 91 H VAL 13 HN VAL 13 2.600 -7.256 -5.135 92 HA VAL 13 HA VAL 13 4.385 -4.989 -5.477 93 HB VAL 13 HB VAL 13 2.834 -3.796 -4.135 94 1HG1 VAL 13 1HG VAL 13 1.838 -3.743 -6.180 95 2HG1 VAL 13 2HG VAL 13 1.774 -5.516 -6.320 96 3HG1 VAL 13 3HG VAL 13 0.575 -4.658 -5.323 97 1HG2 VAL 13 1HG VAL 13 1.265 -6.327 -3.598 98 2HG2 VAL 13 2HG VAL 13 2.513 -5.716 -2.486 99 3HG2 VAL 13 3HG VAL 13 1.079 -4.725 -2.846 100 H THR 14 HN THR 14 5.947 -4.370 -4.003 101 HA THR 14 HA THR 14 6.546 -6.353 -1.947 102 HB THR 14 HB THR 14 8.079 -4.067 -3.278 103 HG1 THR 14 HG1 THR 14 8.215 -6.992 -3.061 104 1HG2 THR 14 1HG THR 14 9.874 -5.746 -1.899 105 2HG2 THR 14 2HG THR 14 9.461 -4.074 -1.448 106 3HG2 THR 14 3HG THR 14 8.583 -5.438 -0.713 107 H PHE 15 HN PHE 15 4.257 -5.157 -1.204 108 HA PHE 15 HA PHE 15 4.214 -2.773 0.012 109 1HB PHE 15 2HB PHE 15 2.470 -4.689 -0.100 110 2HB PHE 15 3HB PHE 15 3.307 -5.443 1.242 111 HD1 PHE 15 HD1 PHE 15 2.721 -4.901 3.431 112 HD2 PHE 15 HD2 PHE 15 1.573 -2.291 0.288 113 HE1 PHE 15 HE1 PHE 15 1.335 -3.567 5.044 114 HE2 PHE 15 HE2 PHE 15 0.188 -0.957 1.901 115 HZ PHE 15 HZ PHE 15 0.086 -1.611 4.260 116 H ASP 16 HN ASP 16 4.270 -2.266 2.458 117 HA ASP 16 HA ASP 16 6.305 -3.760 3.837 118 1HB ASP 16 2HB ASP 16 6.622 -0.965 2.789 119 2HB ASP 16 3HB ASP 16 7.191 -1.243 4.423 120 H HIS 17 HN HIS 17 5.747 -3.824 6.042 121 HA HIS 17 HA HIS 17 3.585 -2.035 6.848 122 1HB HIS 17 2HB HIS 17 3.875 -4.791 7.048 123 2HB HIS 17 3HB HIS 17 4.253 -4.231 8.664 124 HD1 HIS 17 HD1 HIS 17 1.444 -5.127 6.571 125 HD2 HIS 17 HD2 HIS 17 2.080 -2.402 9.696 126 HE1 HIS 17 HE1 HIS 17 -0.865 -4.515 7.468 127 H LYS 18 HN LYS 18 6.792 -3.359 7.860 128 HA LYS 18 HA LYS 18 6.880 -1.485 10.061 129 1HB LYS 18 2HB LYS 18 7.986 -4.025 9.523 130 2HB LYS 18 3HB LYS 18 9.345 -2.921 9.569 131 1HG LYS 18 2HG LYS 18 7.304 -2.504 11.712 132 2HG LYS 18 3HG LYS 18 8.177 -4.021 11.803 133 1HD LYS 18 2HD LYS 18 9.778 -2.806 12.892 134 2HD LYS 18 3HD LYS 18 10.249 -2.276 11.290 135 1HE LYS 18 2HE LYS 18 9.910 -0.177 12.163 136 2HE LYS 18 3HE LYS 18 8.233 -0.494 11.767 137 1HZ LYS 18 1HZ LYS 18 9.462 -0.315 14.314 138 2HZ LYS 18 2HZ LYS 18 7.883 -0.193 13.915 139 3HZ LYS 18 3HZ LYS 18 8.548 -1.661 14.174 140 H ALA 19 HN ALA 19 8.122 -1.905 6.754 141 HA ALA 19 HA ALA 19 10.122 0.089 6.963 142 1HB ALA 19 1HB ALA 19 10.630 -0.665 4.898 143 2HB ALA 19 2HB ALA 19 9.346 -1.874 5.138 144 3HB ALA 19 3HB ALA 19 8.986 -0.349 4.294 145 H HIS 20 HN HIS 20 6.626 0.045 6.250 146 HA HIS 20 HA HIS 20 6.688 2.798 5.406 147 1HB HIS 20 2HB HIS 20 4.590 0.658 5.610 148 2HB HIS 20 3HB HIS 20 4.103 2.336 5.477 149 HD1 HIS 20 HD1 HIS 20 7.154 1.051 3.642 150 HD2 HIS 20 HD2 HIS 20 3.156 2.046 2.850 151 HE1 HIS 20 HE1 HIS 20 6.913 1.080 1.102 152 H ALA 21 HN ALA 21 5.135 0.878 8.077 153 HA ALA 21 HA ALA 21 4.024 2.827 9.532 154 1HB ALA 21 1HB ALA 21 3.976 0.455 10.129 155 2HB ALA 21 2HB ALA 21 5.708 0.498 10.537 156 3HB ALA 21 3HB ALA 21 4.539 1.414 11.519 157 H GLU 22 HN GLU 22 7.489 1.785 9.939 158 HA GLU 22 HA GLU 22 8.365 3.441 11.747 159 1HB GLU 22 2HB GLU 22 10.529 3.627 10.408 160 2HB GLU 22 3HB GLU 22 9.920 1.999 10.636 161 1HG GLU 22 2HG GLU 22 8.779 2.198 8.355 162 2HG GLU 22 3HG GLU 22 9.613 3.724 8.136 163 H LYS 23 HN LYS 23 7.476 4.417 8.407 164 HA LYS 23 HA LYS 23 8.144 7.179 9.062 165 1HB LYS 23 2HB LYS 23 7.881 5.588 6.573 166 2HB LYS 23 3HB LYS 23 7.300 7.238 6.479 167 1HG LYS 23 2HG LYS 23 9.880 7.025 7.908 168 2HG LYS 23 3HG LYS 23 9.971 6.423 6.265 169 1HD LYS 23 2HD LYS 23 10.101 8.564 5.535 170 2HD LYS 23 3HD LYS 23 8.453 8.813 6.078 171 1HE LYS 23 2HE LYS 23 10.708 8.982 8.094 172 2HE LYS 23 3HE LYS 23 10.421 10.337 7.019 173 1HZ LYS 23 1HZ LYS 23 7.959 9.696 7.899 174 2HZ LYS 23 2HZ LYS 23 8.877 9.448 9.226 175 3HZ LYS 23 3HZ LYS 23 8.887 10.904 8.487 176 H LEU 24 HN LEU 24 5.408 5.395 7.458 177 HA LEU 24 HA LEU 24 3.538 7.349 7.619 178 1HB LEU 24 2HB LEU 24 3.320 4.355 7.835 179 2HB LEU 24 3HB LEU 24 1.902 5.386 7.833 180 HG LEU 24 HG LEU 24 2.642 6.308 5.620 181 1HD1 LEU 24 1HD LEU 24 4.984 5.905 5.637 182 2HD1 LEU 24 2HD LEU 24 4.754 4.158 5.886 183 3HD1 LEU 24 3HD LEU 24 4.293 4.905 4.337 184 1HD2 LEU 24 1HD LEU 24 2.397 3.362 5.235 185 2HD2 LEU 24 2HD LEU 24 1.105 4.198 6.131 186 3HD2 LEU 24 3HD LEU 24 1.508 4.702 4.471 187 H GLY 25 HN GLY 25 3.363 4.616 9.978 188 1HA GLY 25 1HA GLY 25 3.710 5.159 12.350 189 2HA GLY 25 2HA GLY 25 2.801 6.632 12.072 190 H CYS 26 HN CYS 26 1.690 3.912 10.203 191 HA CYS 26 HA CYS 26 0.018 2.485 10.428 192 1HB CYS 26 2HB CYS 26 -0.676 3.192 13.234 193 2HB CYS 26 3HB CYS 26 -0.674 1.635 12.430 194 H ASP 27 HN ASP 27 -0.729 5.307 12.615 195 HA ASP 27 HA ASP 27 -3.315 5.601 12.093 196 1HB ASP 27 2HB ASP 27 -1.991 7.040 13.629 197 2HB ASP 27 3HB ASP 27 -1.230 7.827 12.261 198 H ALA 28 HN ALA 28 -0.583 6.168 9.923 199 HA ALA 28 HA ALA 28 -1.723 7.955 8.123 200 1HB ALA 28 1HB ALA 28 0.085 5.785 7.135 201 2HB ALA 28 2HB ALA 28 0.171 7.546 6.888 202 3HB ALA 28 3HB ALA 28 0.702 6.836 8.432 203 H CYS 29 HN CYS 29 -1.860 4.356 8.356 204 HA CYS 29 HA CYS 29 -3.748 4.386 6.130 205 1HB CYS 29 2HB CYS 29 -2.424 1.993 7.417 206 2HB CYS 29 3HB CYS 29 -3.368 2.016 5.941 207 H HIS 30 HN HIS 30 -3.206 3.103 9.487 208 HA HIS 30 HA HIS 30 -6.082 2.673 9.689 209 1HB HIS 30 2HB HIS 30 -3.989 1.811 11.687 210 2HB HIS 30 3HB HIS 30 -5.625 1.211 11.500 211 HD1 HIS 30 HD1 HIS 30 -6.069 -0.126 9.119 212 HD2 HIS 30 HD2 HIS 30 -2.091 0.336 10.365 213 HE1 HIS 30 HE1 HIS 30 -4.709 -1.851 7.821 214 H GLU 31 HN GLU 31 -5.828 2.807 12.710 215 HA GLU 31 HA GLU 31 -5.122 5.524 13.197 216 1HB GLU 31 2HB GLU 31 -7.338 6.300 13.873 217 2HB GLU 31 3HB GLU 31 -7.402 5.760 12.206 218 1HG GLU 31 2HG GLU 31 -7.964 3.427 13.684 219 2HG GLU 31 3HG GLU 31 -8.799 4.690 14.567 220 H GLY 32 HN GLY 32 -7.249 5.358 15.518 221 1HA GLY 32 1HA GLY 32 -5.553 4.533 17.540 222 2HA GLY 32 2HA GLY 32 -7.296 4.673 17.656 223 H THR 33 HN THR 33 -7.723 2.646 15.429 224 HA THR 33 HA THR 33 -6.663 0.215 16.640 225 HB THR 33 HB THR 33 -9.612 1.000 16.477 226 HG1 THR 33 HG1 THR 33 -8.297 1.499 18.404 227 1HG2 THR 33 1HG THR 33 -9.630 -1.300 15.744 228 2HG2 THR 33 2HG THR 33 -8.281 -1.727 16.826 229 3HG2 THR 33 3HG THR 33 -9.889 -1.372 17.504 230 HA PRO 34 HA PRO 34 -6.461 -0.321 12.302 231 1HB PRO 34 2HB PRO 34 -4.480 -2.205 12.325 232 2HB PRO 34 3HB PRO 34 -4.163 -0.482 12.284 233 1HG PRO 34 2HG PRO 34 -3.899 -2.362 14.550 234 2HG PRO 34 3HG PRO 34 -3.202 -0.765 14.362 235 1HD PRO 34 2HD PRO 34 -5.465 -1.469 15.977 236 2HD PRO 34 3HD PRO 34 -4.839 0.143 15.696 237 H ALA 35 HN ALA 35 -6.136 -2.569 10.920 238 HA ALA 35 HA ALA 35 -7.142 -4.888 11.852 239 1HB ALA 35 1HB ALA 35 -9.252 -2.808 11.654 240 2HB ALA 35 2HB ALA 35 -9.646 -4.364 10.886 241 3HB ALA 35 3HB ALA 35 -9.210 -4.308 12.610 242 H LYS 36 HN LYS 36 -8.140 -6.257 10.017 243 HA LYS 36 HA LYS 36 -6.585 -5.835 7.713 244 1HB LYS 36 2HB LYS 36 -7.362 -7.905 7.019 245 2HB LYS 36 3HB LYS 36 -7.466 -8.026 8.764 246 1HG LYS 36 2HG LYS 36 -9.589 -8.791 8.193 247 2HG LYS 36 3HG LYS 36 -9.933 -7.083 8.387 248 1HD LYS 36 2HD LYS 36 -10.883 -7.407 6.294 249 2HD LYS 36 3HD LYS 36 -9.257 -6.986 5.794 250 1HE LYS 36 2HE LYS 36 -9.645 -8.955 4.565 251 2HE LYS 36 3HE LYS 36 -8.772 -9.569 5.955 252 1HZ LYS 36 1HZ LYS 36 -10.774 -10.264 6.930 253 2HZ LYS 36 2HZ LYS 36 -11.703 -9.454 5.858 254 3HZ LYS 36 3HZ LYS 36 -10.851 -10.761 5.376 255 H ILE 37 HN ILE 37 -6.908 -4.233 6.267 256 HA ILE 37 HA ILE 37 -9.557 -3.147 5.946 257 HB ILE 37 HB ILE 37 -6.900 -2.455 4.690 258 1HG1 ILE 37 2HG ILE 37 -8.424 -0.933 6.813 259 2HG1 ILE 37 3HG ILE 37 -7.209 -2.134 7.201 260 1HG2 ILE 37 1HG ILE 37 -9.655 -1.448 4.217 261 2HG2 ILE 37 2HG ILE 37 -8.360 -0.234 4.347 262 3HG2 ILE 37 3HG ILE 37 -8.251 -1.527 3.127 263 1HD1 ILE 37 1HD ILE 37 -6.564 0.085 5.238 264 2HD1 ILE 37 2HD ILE 37 -6.479 0.376 6.991 265 3HD1 ILE 37 3HD ILE 37 -5.452 -0.873 6.246 266 H ALA 38 HN ALA 38 -7.790 -5.778 4.691 267 HA ALA 38 HA ALA 38 -8.108 -7.146 2.982 268 1HB ALA 38 1HB ALA 38 -10.640 -6.425 1.924 269 2HB ALA 38 2HB ALA 38 -10.276 -7.725 3.087 270 3HB ALA 38 3HB ALA 38 -10.719 -6.104 3.673 271 H ILE 39 HN ILE 39 -6.426 -6.303 1.681 272 HA ILE 39 HA ILE 39 -7.213 -4.228 -0.219 273 HB ILE 39 HB ILE 39 -4.639 -5.203 0.921 274 1HG1 ILE 39 2HG ILE 39 -5.897 -3.212 1.796 275 2HG1 ILE 39 3HG ILE 39 -4.237 -2.900 1.328 276 1HG2 ILE 39 1HG ILE 39 -4.173 -5.484 -1.407 277 2HG2 ILE 39 2HG ILE 39 -4.922 -3.918 -1.805 278 3HG2 ILE 39 3HG ILE 39 -3.406 -3.969 -0.872 279 1HD1 ILE 39 1HD ILE 39 -5.678 -1.107 0.474 280 2HD1 ILE 39 2HD ILE 39 -5.043 -2.050 -0.896 281 3HD1 ILE 39 3HD ILE 39 -6.718 -2.295 -0.346 282 H ASP 40 HN ASP 40 -7.730 -4.720 -2.285 283 HA ASP 40 HA ASP 40 -6.539 -6.308 -3.980 284 1HB ASP 40 2HB ASP 40 -8.022 -7.978 -2.014 285 2HB ASP 40 3HB ASP 40 -8.389 -8.362 -3.684 286 H LYS 41 HN LYS 41 -7.929 -6.746 -5.940 287 HA LYS 41 HA LYS 41 -9.738 -6.536 -7.230 288 1HB LYS 41 2HB LYS 41 -11.359 -5.495 -4.902 289 2HB LYS 41 3HB LYS 41 -11.936 -6.229 -6.385 290 1HG LYS 41 2HG LYS 41 -10.576 -8.338 -5.652 291 2HG LYS 41 3HG LYS 41 -10.487 -7.578 -4.075 292 1HD LYS 41 2HD LYS 41 -12.852 -7.652 -3.762 293 2HD LYS 41 3HD LYS 41 -13.166 -7.871 -5.472 294 1HE LYS 41 2HE LYS 41 -11.475 -10.045 -4.568 295 2HE LYS 41 3HE LYS 41 -12.826 -9.899 -3.462 296 1HZ LYS 41 1HZ LYS 41 -13.586 -11.235 -5.165 297 2HZ LYS 41 2HZ LYS 41 -14.220 -9.780 -5.550 298 3HZ LYS 41 3HZ LYS 41 -12.911 -10.337 -6.350 299 H LYS 42 HN LYS 42 -11.714 -4.263 -6.891 300 HA LYS 42 HA LYS 42 -9.963 -2.249 -7.981 301 1HB LYS 42 2HB LYS 42 -12.104 -1.081 -8.477 302 2HB LYS 42 3HB LYS 42 -11.992 -2.687 -9.170 303 1HG LYS 42 2HG LYS 42 -13.166 -2.631 -6.437 304 2HG LYS 42 3HG LYS 42 -14.108 -1.761 -7.632 305 1HD LYS 42 2HD LYS 42 -14.592 -3.676 -8.864 306 2HD LYS 42 3HD LYS 42 -13.081 -4.461 -8.451 307 1HE LYS 42 2HE LYS 42 -14.709 -5.701 -7.241 308 2HE LYS 42 3HE LYS 42 -14.013 -4.641 -6.031 309 1HZ LYS 42 1HZ LYS 42 -15.946 -3.634 -5.781 310 2HZ LYS 42 2HZ LYS 42 -16.172 -3.412 -7.384 311 3HZ LYS 42 3HZ LYS 42 -16.632 -4.813 -6.680 312 H SER 43 HN SER 43 -9.106 -2.596 -5.447 313 HA SER 43 HA SER 43 -10.222 -0.248 -4.131 314 1HB SER 43 2HB SER 43 -9.259 -2.813 -2.788 315 2HB SER 43 3HB SER 43 -9.729 -1.356 -1.933 316 HG SER 43 HG SER 43 -11.366 -3.172 -3.443 317 H ALA 44 HN ALA 44 -7.421 -2.580 -4.008 318 HA ALA 44 HA ALA 44 -5.595 -0.790 -2.946 319 1HB ALA 44 1HB ALA 44 -4.486 -2.744 -4.850 320 2HB ALA 44 2HB ALA 44 -4.228 -2.585 -3.096 321 3HB ALA 44 3HB ALA 44 -5.655 -3.454 -3.710 322 H HIS 45 HN HIS 45 -7.102 -0.882 -6.070 323 HA HIS 45 HA HIS 45 -4.938 0.666 -7.248 324 1HB HIS 45 2HB HIS 45 -7.348 -0.764 -8.353 325 2HB HIS 45 3HB HIS 45 -6.518 0.450 -9.303 326 HD1 HIS 45 HD1 HIS 45 -5.951 -1.590 -10.960 327 HD2 HIS 45 HD2 HIS 45 -4.102 -1.716 -7.196 328 HE1 HIS 45 HE1 HIS 45 -4.052 -3.283 -11.153 329 H LYS 46 HN LYS 46 -7.511 1.219 -5.242 330 HA LYS 46 HA LYS 46 -8.188 3.748 -6.571 331 1HB LYS 46 2HB LYS 46 -9.813 1.717 -5.401 332 2HB LYS 46 3HB LYS 46 -9.943 3.140 -4.387 333 1HG LYS 46 2HG LYS 46 -10.573 4.533 -6.302 334 2HG LYS 46 3HG LYS 46 -10.234 3.230 -7.424 335 1HD LYS 46 2HD LYS 46 -12.093 1.904 -6.583 336 2HD LYS 46 3HD LYS 46 -12.324 2.978 -5.217 337 1HE LYS 46 2HE LYS 46 -13.258 4.701 -6.552 338 2HE LYS 46 3HE LYS 46 -12.520 4.102 -8.024 339 1HZ LYS 46 1HZ LYS 46 -14.034 2.046 -7.343 340 2HZ LYS 46 2HZ LYS 46 -14.943 3.261 -6.740 341 3HZ LYS 46 3HZ LYS 46 -14.544 3.250 -8.323 342 H ASP 47 HN ASP 47 -9.220 5.037 -4.229 343 HA ASP 47 HA ASP 47 -7.096 6.373 -3.350 344 1HB ASP 47 2HB ASP 47 -8.471 6.873 -1.267 345 2HB ASP 47 3HB ASP 47 -9.311 7.124 -2.783 346 H ALA 48 HN ALA 48 -8.121 3.114 -2.479 347 HA ALA 48 HA ALA 48 -7.230 2.661 0.006 348 1HB ALA 48 1HB ALA 48 -6.463 0.824 -2.277 349 2HB ALA 48 2HB ALA 48 -7.002 0.398 -0.635 350 3HB ALA 48 3HB ALA 48 -8.163 1.064 -1.808 351 H CYS 49 HN CYS 49 -5.135 2.662 -2.965 352 HA CYS 49 HA CYS 49 -2.902 3.260 -1.165 353 1HB CYS 49 2HB CYS 49 -2.816 1.521 -3.639 354 2HB CYS 49 3HB CYS 49 -1.430 2.003 -2.682 355 H LYS 50 HN LYS 50 -4.104 3.307 -4.601 356 HA LYS 50 HA LYS 50 -2.482 4.965 -5.835 357 1HB LYS 50 2HB LYS 50 -5.425 4.605 -5.888 358 2HB LYS 50 3HB LYS 50 -4.827 6.060 -6.659 359 1HG LYS 50 2HG LYS 50 -3.037 4.041 -7.505 360 2HG LYS 50 3HG LYS 50 -4.608 3.266 -7.543 361 1HD LYS 50 2HD LYS 50 -5.225 5.701 -8.680 362 2HD LYS 50 3HD LYS 50 -3.563 5.516 -9.204 363 1HE LYS 50 2HE LYS 50 -4.280 3.080 -9.897 364 2HE LYS 50 3HE LYS 50 -5.921 3.681 -9.760 365 1HZ LYS 50 1HZ LYS 50 -5.319 5.437 -11.311 366 2HZ LYS 50 2HZ LYS 50 -3.817 4.818 -11.467 367 3HZ LYS 50 3HZ LYS 50 -5.110 3.959 -11.973 368 H THR 51 HN THR 51 -5.322 6.414 -4.093 369 HA THR 51 HA THR 51 -4.637 8.988 -4.103 370 HB THR 51 HB THR 51 -5.893 7.184 -2.013 371 HG1 THR 51 HG1 THR 51 -6.751 8.141 -4.184 372 1HG2 THR 51 1HG THR 51 -6.559 9.150 -0.707 373 2HG2 THR 51 2HG THR 51 -4.780 9.123 -0.778 374 3HG2 THR 51 3HG THR 51 -5.696 10.234 -1.826 375 H CYS 52 HN CYS 52 -3.646 6.983 -1.248 376 HA CYS 52 HA CYS 52 -1.649 8.900 -0.613 377 1HB CYS 52 2HB CYS 52 -2.524 7.913 1.267 378 2HB CYS 52 3HB CYS 52 -2.603 6.318 0.545 379 H HIS 53 HN HIS 53 -0.405 8.906 -2.648 380 HA HIS 53 HA HIS 53 1.902 7.549 -2.611 381 1HB HIS 53 2HB HIS 53 -0.210 5.759 -3.438 382 2HB HIS 53 3HB HIS 53 0.929 5.979 -4.751 383 HD1 HIS 53 HD1 HIS 53 3.528 5.437 -4.144 384 HD2 HIS 53 HD2 HIS 53 0.641 4.072 -1.426 385 HE1 HIS 53 HE1 HIS 53 4.681 3.675 -2.703 386 H LYS 54 HN LYS 54 -0.793 8.864 -4.512 387 HA LYS 54 HA LYS 54 0.621 9.405 -6.858 388 1HB LYS 54 2HB LYS 54 -1.866 10.527 -5.581 389 2HB LYS 54 3HB LYS 54 -1.226 11.227 -7.054 390 1HG LYS 54 2HG LYS 54 -1.127 8.622 -7.791 391 2HG LYS 54 3HG LYS 54 -2.412 8.498 -6.605 392 1HD LYS 54 2HD LYS 54 -3.783 10.115 -7.776 393 2HD LYS 54 3HD LYS 54 -2.452 10.605 -8.806 394 1HE LYS 54 2HE LYS 54 -2.529 7.908 -9.355 395 2HE LYS 54 3HE LYS 54 -4.222 8.205 -9.005 396 1HZ LYS 54 1HZ LYS 54 -3.244 10.265 -10.612 397 2HZ LYS 54 2HZ LYS 54 -2.851 8.840 -11.305 398 3HZ LYS 54 3HZ LYS 54 -4.410 9.175 -10.955 399 H SER 55 HN SER 55 0.139 11.299 -3.822 400 HA SER 55 HA SER 55 1.876 13.335 -4.892 401 1HB SER 55 2HB SER 55 1.280 14.603 -2.863 402 2HB SER 55 3HB SER 55 -0.161 14.023 -3.675 403 HG SER 55 HG SER 55 0.813 12.198 -1.798 404 H ASN 56 HN ASN 56 3.208 10.885 -4.641 405 HA ASN 56 HA ASN 56 4.907 11.452 -2.345 406 1HB ASN 56 2HB ASN 56 3.356 9.091 -2.783 407 2HB ASN 56 3HB ASN 56 5.007 8.636 -3.152 408 1HD2 ASN 56 1HD ASN 56 2.951 8.320 -0.846 409 2HD2 ASN 56 2HD ASN 56 3.884 8.576 0.592 410 H ASN 57 HN ASN 57 6.983 9.647 -2.874 411 HA ASN 57 HA ASN 57 7.699 10.286 -5.628 412 1HB ASN 57 2HB ASN 57 10.099 10.411 -4.774 413 2HB ASN 57 3HB ASN 57 9.061 11.685 -4.164 414 1HD2 ASN 57 1HD ASN 57 8.656 11.872 -2.045 415 2HD2 ASN 57 2HD ASN 57 9.291 10.844 -0.805 416 H GLY 58 HN GLY 58 8.119 8.411 -6.811 417 1HA GLY 58 1HA GLY 58 9.648 6.399 -6.675 418 2HA GLY 58 2HA GLY 58 8.679 5.942 -5.288 419 HA PRO 59 HA PRO 59 6.313 3.953 -8.422 420 1HB PRO 59 2HB PRO 59 4.925 2.279 -6.768 421 2HB PRO 59 3HB PRO 59 6.502 1.887 -7.424 422 1HG PRO 59 2HG PRO 59 5.793 2.728 -4.680 423 2HG PRO 59 3HG PRO 59 7.252 1.936 -5.244 424 1HD PRO 59 2HD PRO 59 6.954 4.709 -4.571 425 2HD PRO 59 3HD PRO 59 8.378 3.941 -5.244 426 H THR 60 HN THR 60 4.326 4.203 -9.398 427 HA THR 60 HA THR 60 1.993 4.783 -8.134 428 HB THR 60 HB THR 60 2.768 6.742 -7.047 429 HG1 THR 60 HG1 THR 60 1.539 8.261 -8.214 430 1HG2 THR 60 1HG THR 60 4.315 7.277 -9.632 431 2HG2 THR 60 2HG THR 60 4.067 8.521 -8.383 432 3HG2 THR 60 3HG THR 60 4.987 7.046 -8.000 433 H LYS 61 HN LYS 61 4.207 5.405 -10.836 434 HA LYS 61 HA LYS 61 2.043 5.951 -12.643 435 1HB LYS 61 2HB LYS 61 3.727 6.255 -14.284 436 2HB LYS 61 3HB LYS 61 4.335 6.967 -12.804 437 1HG LYS 61 2HG LYS 61 5.387 4.541 -12.425 438 2HG LYS 61 3HG LYS 61 5.185 4.401 -14.160 439 1HD LYS 61 2HD LYS 61 6.423 6.646 -14.376 440 2HD LYS 61 3HD LYS 61 6.788 6.525 -12.666 441 1HE LYS 61 2HE LYS 61 7.795 4.200 -13.174 442 2HE LYS 61 3HE LYS 61 7.647 4.603 -14.873 443 1HZ LYS 61 1HZ LYS 61 9.201 6.241 -14.686 444 2HZ LYS 61 2HZ LYS 61 8.963 6.488 -13.089 445 3HZ LYS 61 3HZ LYS 61 9.785 5.171 -13.597 446 H CYS 62 HN CYS 62 1.230 3.702 -11.459 447 HA CYS 62 HA CYS 62 0.517 1.668 -11.871 448 1HB CYS 62 2HB CYS 62 0.011 2.494 -14.118 449 2HB CYS 62 3HB CYS 62 1.626 2.077 -14.656 450 H GLY 63 HN GLY 63 3.462 1.663 -14.005 451 1HA GLY 63 1HA GLY 63 4.438 -0.773 -12.953 452 2HA GLY 63 2HA GLY 63 5.291 0.352 -13.992 453 H GLY 64 HN GLY 64 4.026 0.308 -10.574 454 1HA GLY 64 1HA GLY 64 6.693 1.249 -9.709 455 2HA GLY 64 2HA GLY 64 5.211 1.965 -9.108 456 H CYS 65 HN CYS 65 3.497 -0.098 -8.592 457 HA CYS 65 HA CYS 65 4.788 -1.325 -6.349 458 1HB CYS 65 2HB CYS 65 1.978 -1.938 -7.189 459 2HB CYS 65 3HB CYS 65 2.670 -1.868 -5.581 460 H HIS 66 HN HIS 66 3.344 -2.247 -9.526 461 HA HIS 66 HA HIS 66 4.144 -5.001 -9.054 462 1HB HIS 66 2HB HIS 66 2.373 -3.665 -11.103 463 2HB HIS 66 3HB HIS 66 2.912 -5.323 -11.284 464 HD1 HIS 66 HD1 HIS 66 1.652 -7.114 -10.000 465 HD2 HIS 66 HD2 HIS 66 0.702 -3.229 -8.738 466 HE1 HIS 66 HE1 HIS 66 -0.319 -7.345 -8.397 467 H ILE 67 HN ILE 67 6.388 -5.021 -9.281 468 HA ILE 67 HA ILE 67 7.702 -3.570 -11.314 469 HB ILE 67 HB ILE 67 8.612 -4.375 -9.096 470 1HG1 ILE 67 2HG ILE 67 10.511 -5.198 -11.248 471 2HG1 ILE 67 3HG ILE 67 9.856 -3.575 -11.323 472 1HG2 ILE 67 1HG ILE 67 7.947 -6.666 -9.090 473 2HG2 ILE 67 2HG ILE 67 8.776 -6.976 -10.634 474 3HG2 ILE 67 3HG ILE 67 9.724 -6.621 -9.171 475 1HD1 ILE 67 1HD ILE 67 11.133 -2.876 -9.579 476 2HD1 ILE 67 2HD ILE 67 10.668 -4.278 -8.588 477 3HD1 ILE 67 3HD ILE 67 12.014 -4.413 -9.744 478 H LYS 68 HN LYS 68 9.338 -5.036 -12.780 479 HA LYS 68 HA LYS 68 7.562 -6.913 -14.182 480 1HB LYS 68 2HB LYS 68 9.208 -4.640 -15.142 481 2HB LYS 68 3HB LYS 68 9.301 -6.099 -16.107 482 1HG LYS 68 2HG LYS 68 7.404 -5.243 -17.087 483 2HG LYS 68 3HG LYS 68 6.608 -6.025 -15.736 484 1HD LYS 68 2HD LYS 68 6.426 -3.981 -14.501 485 2HD LYS 68 3HD LYS 68 7.631 -3.174 -15.485 486 1HE LYS 68 2HE LYS 68 5.300 -4.180 -17.034 487 2HE LYS 68 3HE LYS 68 4.884 -2.965 -15.841 488 1HZ LYS 68 1HZ LYS 68 7.198 -2.141 -17.117 489 2HZ LYS 68 2HZ LYS 68 6.147 -2.598 -18.281 490 3HZ LYS 68 3HZ LYS 68 5.715 -1.461 -17.190 491 HHA HEC 98 HGM HEC 98 -4.734 -5.379 8.183 492 HHB HEC 98 HDM HEC 98 -1.943 -3.214 13.330 493 HHC HEC 98 HAM HEC 98 1.425 0.743 9.708 494 HHD HEC 98 HBM HEC 98 -1.793 -1.217 4.747 495 1HMA HEC 98 1HM HEC 98 -4.423 -5.493 13.626 496 2HMA HEC 98 2HM HEC 98 -3.172 -6.683 13.198 497 3HMA HEC 98 3HM HEC 98 -2.705 -5.111 13.886 498 1HAA HEC 98 1HA HEC 98 -4.891 -7.264 11.412 499 2HAA HEC 98 2HA HEC 98 -5.698 -6.397 10.084 500 1HBA HEC 98 3HB HEC 98 -4.853 -8.120 8.773 501 2HBA HEC 98 4HB HEC 98 -3.346 -7.176 8.841 502 1HMB HEC 98 1HM HEC 98 -0.848 -2.174 14.671 503 2HMB HEC 98 2HM HEC 98 0.503 -1.030 14.839 504 3HMB HEC 98 3HM HEC 98 -1.158 -0.422 14.654 505 HAB HEC 98 HT2 HEC 98 1.927 1.163 11.617 506 1HBB HEC 98 1HT HEC 98 3.366 -0.621 12.079 507 2HBB HEC 98 2HT HEC 98 3.659 0.750 13.175 508 3HBB HEC 98 3HT HEC 98 2.801 -0.693 13.765 509 1HMC HEC 98 1HM HEC 98 2.465 1.628 8.258 510 2HMC HEC 98 2HM HEC 98 2.451 1.843 6.491 511 3HMC HEC 98 3HM HEC 98 1.388 2.836 7.516 512 HAC HEC 98 HT4 HEC 98 -0.989 0.757 4.285 513 1HBC HEC 98 1HT HEC 98 0.874 1.396 2.912 514 2HBC HEC 98 2HT HEC 98 1.919 1.651 4.331 515 3HBC HEC 98 3HT HEC 98 1.410 0.005 3.885 516 1HMD HEC 98 1HM HEC 98 -4.336 -1.982 3.491 517 2HMD HEC 98 2HM HEC 98 -2.633 -2.412 3.210 518 3HMD HEC 98 3HM HEC 98 -3.893 -3.666 3.120 519 1HAD HEC 98 1HA HEC 98 -5.480 -5.598 5.966 520 2HAD HEC 98 2HA HEC 98 -5.311 -4.839 4.365 521 1HBD HEC 98 3HB HEC 98 -3.079 -6.020 4.189 522 2HBD HEC 98 4HB HEC 98 -3.567 -6.945 5.630 523 HHA HEC 128 HGM HEC 128 7.897 3.372 -0.704 524 HHB HEC 128 HDM HEC 128 3.791 -0.744 -2.979 525 HHC HEC 128 HAM HEC 128 -0.653 1.791 0.753 526 HHD HEC 128 HBM HEC 128 3.463 6.105 2.558 527 1HMA HEC 128 1HM HEC 128 6.350 -1.906 -2.718 528 2HMA HEC 128 2HM HEC 128 5.991 -0.947 -4.174 529 3HMA HEC 128 3HM HEC 128 7.647 -0.996 -3.528 530 1HAA HEC 128 1HA HEC 128 8.976 0.680 -2.873 531 2HAA HEC 128 2HA HEC 128 8.969 2.193 -1.937 532 1HBA HEC 128 3HB HEC 128 8.957 0.785 0.201 533 2HBA HEC 128 4HB HEC 128 9.170 -0.663 -0.813 534 1HMB HEC 128 1HM HEC 128 1.681 -2.275 -2.992 535 2HMB HEC 128 2HM HEC 128 0.113 -1.542 -3.400 536 3HMB HEC 128 3HM HEC 128 1.607 -0.904 -4.126 537 HAB HEC 128 HT2 HEC 128 -1.614 0.447 -0.461 538 1HBB HEC 128 1HT HEC 128 -0.376 -2.076 0.059 539 2HBB HEC 128 2HT HEC 128 -1.683 -1.193 0.883 540 3HBB HEC 128 3HT HEC 128 -2.048 -2.205 -0.535 541 1HMC HEC 128 1HM HEC 128 -1.612 4.186 3.302 542 2HMC HEC 128 2HM HEC 128 -2.048 4.137 1.577 543 3HMC HEC 128 3HM HEC 128 -1.630 2.634 2.432 544 HAC HEC 128 HT4 HEC 128 1.507 6.706 3.347 545 1HBC HEC 128 1HT HEC 128 -0.418 5.144 4.539 546 2HBC HEC 128 2HT HEC 128 -0.073 6.835 4.972 547 3HBC HEC 128 3HT HEC 128 -1.402 6.458 3.850 548 1HMD HEC 128 1HM HEC 128 4.875 7.625 2.597 549 2HMD HEC 128 2HM HEC 128 6.187 6.889 3.548 550 3HMD HEC 128 3HM HEC 128 6.568 7.831 2.087 551 1HAD HEC 128 1HA HEC 128 8.896 4.791 0.774 552 2HAD HEC 128 2HA HEC 128 8.458 6.514 0.852 553 1HBD HEC 128 3HB HEC 128 8.456 6.547 3.155 554 2HBD HEC 128 4HB HEC 128 8.197 4.791 3.288 555 HHA HEC 158 HGM HEC 158 -2.993 -7.651 -6.415 556 HHB HEC 158 HDM HEC 158 -2.366 -6.251 -12.466 557 HHC HEC 158 HAM HEC 158 -0.946 -0.299 -10.831 558 HHD HEC 158 HBM HEC 158 -1.166 -1.997 -4.841 559 1HMA HEC 158 1HM HEC 158 -2.896 -9.361 -11.658 560 2HMA HEC 158 2HM HEC 158 -4.616 -9.042 -11.327 561 3HMA HEC 158 3HM HEC 158 -3.705 -7.969 -12.415 562 1HAA HEC 158 1HA HEC 158 -3.991 -9.041 -7.245 563 2HAA HEC 158 2HA HEC 158 -5.076 -9.339 -8.624 564 1HBA HEC 158 3HB HEC 158 -2.936 -10.346 -9.804 565 2HBA HEC 158 4HB HEC 158 -2.249 -10.415 -8.164 566 1HMB HEC 158 1HM HEC 158 -0.396 -4.250 -14.633 567 2HMB HEC 158 2HM HEC 158 -1.512 -5.528 -14.098 568 3HMB HEC 158 3HM HEC 158 -2.145 -4.081 -14.918 569 HAB HEC 158 HT2 HEC 158 -0.221 -0.679 -13.023 570 1HBB HEC 158 1HT HEC 158 -3.046 -0.541 -13.018 571 2HBB HEC 158 2HT HEC 158 -1.796 0.725 -12.963 572 3HBB HEC 158 3HT HEC 158 -2.359 0.098 -14.530 573 1HMC HEC 158 1HM HEC 158 0.704 1.433 -9.319 574 2HMC HEC 158 2HM HEC 158 -0.990 1.592 -9.843 575 3HMC HEC 158 3HM HEC 158 -0.486 2.223 -8.258 576 HAC HEC 158 HT4 HEC 158 -0.280 -0.021 -4.910 577 1HBC HEC 158 1HT HEC 158 0.329 2.601 -6.182 578 2HBC HEC 158 2HT HEC 158 -1.374 2.087 -6.250 579 3HBC HEC 158 3HT HEC 158 -0.549 2.232 -4.679 580 1HMD HEC 158 1HM HEC 158 -0.578 -3.358 -2.917 581 2HMD HEC 158 2HM HEC 158 -2.308 -2.973 -2.750 582 3HMD HEC 158 3HM HEC 158 -1.698 -4.564 -2.238 583 1HAD HEC 158 1HA HEC 158 -2.771 -6.160 -2.674 584 2HAD HEC 158 2HA HEC 158 -4.064 -6.622 -3.807 585 1HBD HEC 158 3HB HEC 158 -1.965 -8.209 -2.852 586 2HBD HEC 158 4HB HEC 158 -3.143 -8.607 -4.127 Start of MODEL 14 1 H ALA 1 HN ALA 1 2.931 -6.603 8.764 2 HA ALA 1 HA ALA 1 2.867 -7.491 11.559 3 1HB ALA 1 1HB ALA 1 2.322 -9.265 9.677 4 2HB ALA 1 2HB ALA 1 4.081 -9.219 9.411 5 3HB ALA 1 3HB ALA 1 3.433 -9.678 11.004 6 H ASP 2 HN ASP 2 4.871 -7.062 8.560 7 HA ASP 2 HA ASP 2 6.671 -5.430 9.964 8 1HB ASP 2 2HB ASP 2 7.312 -7.835 10.679 9 2HB ASP 2 3HB ASP 2 7.798 -8.099 9.016 10 H VAL 3 HN VAL 3 6.069 -7.722 7.230 11 HA VAL 3 HA VAL 3 6.300 -5.733 5.282 12 HB VAL 3 HB VAL 3 8.654 -5.749 5.797 13 1HG1 VAL 3 1HG VAL 3 9.982 -7.592 6.072 14 2HG1 VAL 3 2HG VAL 3 8.427 -8.289 6.588 15 3HG1 VAL 3 3HG VAL 3 9.032 -8.586 4.941 16 1HG2 VAL 3 1HG VAL 3 7.675 -6.806 3.191 17 2HG2 VAL 3 2HG VAL 3 8.563 -5.310 3.565 18 3HG2 VAL 3 3HG VAL 3 9.431 -6.860 3.475 19 H VAL 4 HN VAL 4 4.205 -6.959 5.155 20 HA VAL 4 HA VAL 4 4.090 -9.653 4.527 21 HB VAL 4 HB VAL 4 2.333 -7.274 3.995 22 1HG1 VAL 4 1HG VAL 4 2.047 -8.860 2.102 23 2HG1 VAL 4 2HG VAL 4 1.642 -10.140 3.270 24 3HG1 VAL 4 3HG VAL 4 0.591 -8.712 3.115 25 1HG2 VAL 4 1HG VAL 4 2.038 -9.732 5.755 26 2HG2 VAL 4 2HG VAL 4 2.472 -8.091 6.295 27 3HG2 VAL 4 3HG VAL 4 0.857 -8.408 5.616 28 H THR 5 HN THR 5 3.616 -10.692 2.416 29 HA THR 5 HA THR 5 4.712 -9.213 0.133 30 HB THR 5 HB THR 5 5.656 -11.881 1.281 31 HG1 THR 5 HG1 THR 5 7.678 -10.596 1.001 32 1HG2 THR 5 1HG THR 5 6.249 -10.629 -1.453 33 2HG2 THR 5 2HG THR 5 7.127 -12.008 -0.747 34 3HG2 THR 5 3HG THR 5 5.409 -12.175 -1.184 35 H TYR 6 HN TYR 6 3.432 -9.319 -1.602 36 HA TYR 6 HA TYR 6 1.571 -11.596 -1.717 37 1HB TYR 6 2HB TYR 6 1.323 -8.583 -1.960 38 2HB TYR 6 3HB TYR 6 0.346 -9.519 -3.073 39 HD1 TYR 6 HD1 TYR 6 -1.863 -9.616 -2.389 40 HD2 TYR 6 HD2 TYR 6 1.219 -9.890 0.568 41 HE1 TYR 6 HE1 TYR 6 -3.619 -9.927 -0.577 42 HE2 TYR 6 HE2 TYR 6 -0.548 -10.201 2.369 43 HH TYR 6 HH TYR 6 -3.510 -9.361 2.151 44 H GLU 7 HN GLU 7 2.967 -12.777 -3.140 45 HA GLU 7 HA GLU 7 3.885 -11.487 -5.502 46 1HB GLU 7 2HB GLU 7 4.772 -13.739 -6.078 47 2HB GLU 7 3HB GLU 7 5.230 -13.251 -4.459 48 1HG GLU 7 2HG GLU 7 3.485 -14.648 -3.464 49 2HG GLU 7 3HG GLU 7 2.793 -14.995 -5.037 50 H ASN 8 HN ASN 8 3.005 -11.567 -7.575 51 HA ASN 8 HA ASN 8 0.649 -13.244 -7.868 52 1HB ASN 8 2HB ASN 8 -0.259 -11.263 -9.331 53 2HB ASN 8 3HB ASN 8 -0.369 -11.109 -7.589 54 1HD2 ASN 8 1HD ASN 8 0.717 -9.556 -6.537 55 2HD2 ASN 8 2HD ASN 8 1.735 -8.366 -7.276 56 H LYS 9 HN LYS 9 0.019 -12.798 -10.516 57 HA LYS 9 HA LYS 9 2.231 -13.948 -11.874 58 1HB LYS 9 2HB LYS 9 -0.615 -13.357 -12.422 59 2HB LYS 9 3HB LYS 9 0.428 -13.326 -13.829 60 1HG LYS 9 2HG LYS 9 0.850 -15.588 -13.741 61 2HG LYS 9 3HG LYS 9 0.938 -15.612 -11.991 62 1HD LYS 9 2HD LYS 9 -1.151 -16.485 -11.926 63 2HD LYS 9 3HD LYS 9 -1.774 -14.994 -12.602 64 1HE LYS 9 2HE LYS 9 -0.516 -16.716 -14.649 65 2HE LYS 9 3HE LYS 9 -1.846 -17.514 -13.831 66 1HZ LYS 9 1HZ LYS 9 -3.232 -15.633 -14.342 67 2HZ LYS 9 2HZ LYS 9 -1.993 -14.850 -15.064 68 3HZ LYS 9 3HZ LYS 9 -2.582 -16.227 -15.717 69 H LYS 10 HN LYS 10 0.380 -10.865 -12.438 70 HA LYS 10 HA LYS 10 2.046 -9.777 -14.290 71 1HB LYS 10 2HB LYS 10 0.411 -8.460 -12.108 72 2HB LYS 10 3HB LYS 10 1.215 -7.559 -13.379 73 1HG LYS 10 2HG LYS 10 -0.475 -9.892 -14.237 74 2HG LYS 10 3HG LYS 10 -1.324 -8.487 -13.623 75 1HD LYS 10 2HD LYS 10 0.809 -7.691 -15.475 76 2HD LYS 10 3HD LYS 10 -0.278 -8.838 -16.233 77 1HE LYS 10 2HE LYS 10 -1.908 -6.978 -14.763 78 2HE LYS 10 3HE LYS 10 -0.733 -6.036 -15.659 79 1HZ LYS 10 1HZ LYS 10 -2.814 -6.643 -16.859 80 2HZ LYS 10 2HZ LYS 10 -1.432 -7.002 -17.651 81 3HZ LYS 10 3HZ LYS 10 -2.281 -8.186 -16.913 82 H GLY 11 HN GLY 11 2.150 -8.298 -11.020 83 1HA GLY 11 1HA GLY 11 5.016 -8.845 -10.826 84 2HA GLY 11 2HA GLY 11 4.525 -7.171 -10.987 85 H ASN 12 HN ASN 12 5.403 -9.421 -8.739 86 HA ASN 12 HA ASN 12 3.592 -9.525 -6.794 87 1HB ASN 12 2HB ASN 12 6.531 -8.812 -6.307 88 2HB ASN 12 3HB ASN 12 5.477 -9.669 -5.201 89 1HD2 ASN 12 1HD ASN 12 7.844 -10.754 -5.900 90 2HD2 ASN 12 2HD ASN 12 7.638 -12.141 -6.918 91 H VAL 13 HN VAL 13 3.009 -8.152 -4.946 92 HA VAL 13 HA VAL 13 3.871 -5.357 -5.220 93 HB VAL 13 HB VAL 13 1.608 -5.720 -6.127 94 1HG1 VAL 13 1HG VAL 13 1.308 -7.417 -3.887 95 2HG1 VAL 13 2HG VAL 13 0.184 -6.060 -3.640 96 3HG1 VAL 13 3HG VAL 13 0.098 -7.026 -5.132 97 1HG2 VAL 13 1HG VAL 13 2.022 -4.031 -3.666 98 2HG2 VAL 13 2HG VAL 13 1.919 -3.537 -5.374 99 3HG2 VAL 13 3HG VAL 13 0.450 -4.044 -4.503 100 H THR 14 HN THR 14 5.401 -6.893 -3.646 101 HA THR 14 HA THR 14 4.587 -7.541 -1.116 102 HB THR 14 HB THR 14 7.191 -6.498 -2.307 103 HG1 THR 14 HG1 THR 14 7.224 -8.679 -2.670 104 1HG2 THR 14 1HG THR 14 6.885 -6.111 0.314 105 2HG2 THR 14 2HG THR 14 7.027 -7.884 0.388 106 3HG2 THR 14 3HG THR 14 8.356 -6.913 -0.290 107 H PHE 15 HN PHE 15 3.550 -6.466 0.431 108 HA PHE 15 HA PHE 15 3.404 -3.627 0.333 109 1HB PHE 15 2HB PHE 15 2.594 -5.779 2.378 110 2HB PHE 15 3HB PHE 15 2.101 -4.103 2.508 111 HD1 PHE 15 HD1 PHE 15 1.062 -7.235 1.476 112 HD2 PHE 15 HD2 PHE 15 0.979 -3.180 0.226 113 HE1 PHE 15 HE1 PHE 15 -0.947 -7.715 0.049 114 HE2 PHE 15 HE2 PHE 15 -1.029 -3.661 -1.200 115 HZ PHE 15 HZ PHE 15 -1.969 -5.922 -1.272 116 H ASP 16 HN ASP 16 3.474 -2.740 2.937 117 HA ASP 16 HA ASP 16 6.001 -3.564 4.037 118 1HB ASP 16 2HB ASP 16 5.412 -0.809 2.904 119 2HB ASP 16 3HB ASP 16 6.539 -0.982 4.234 120 H HIS 17 HN HIS 17 5.737 -3.589 6.284 121 HA HIS 17 HA HIS 17 3.510 -2.004 7.333 122 1HB HIS 17 2HB HIS 17 3.987 -4.738 7.499 123 2HB HIS 17 3HB HIS 17 4.533 -4.140 9.054 124 HD1 HIS 17 HD1 HIS 17 1.639 -5.541 7.679 125 HD2 HIS 17 HD2 HIS 17 2.303 -2.115 10.008 126 HE1 HIS 17 HE1 HIS 17 -0.597 -4.972 8.767 127 H LYS 18 HN LYS 18 6.682 -3.419 8.428 128 HA LYS 18 HA LYS 18 6.981 -1.309 10.340 129 1HB LYS 18 2HB LYS 18 8.082 -3.918 9.863 130 2HB LYS 18 3HB LYS 18 9.400 -2.772 9.992 131 1HG LYS 18 2HG LYS 18 7.735 -1.933 12.049 132 2HG LYS 18 3HG LYS 18 7.462 -3.664 12.063 133 1HD LYS 18 2HD LYS 18 9.325 -3.536 13.458 134 2HD LYS 18 3HD LYS 18 10.117 -3.799 11.917 135 1HE LYS 18 2HE LYS 18 9.536 -0.961 12.796 136 2HE LYS 18 3HE LYS 18 10.891 -1.809 13.513 137 1HZ LYS 18 1HZ LYS 18 11.804 -0.860 11.669 138 2HZ LYS 18 2HZ LYS 18 11.447 -2.342 11.081 139 3HZ LYS 18 3HZ LYS 18 10.486 -1.071 10.728 140 H ALA 19 HN ALA 19 8.520 -2.276 7.210 141 HA ALA 19 HA ALA 19 10.400 -0.234 7.142 142 1HB ALA 19 1HB ALA 19 10.856 -1.072 5.062 143 2HB ALA 19 2HB ALA 19 9.812 -2.400 5.622 144 3HB ALA 19 3HB ALA 19 9.142 -1.117 4.585 145 H HIS 20 HN HIS 20 6.906 -0.249 6.601 146 HA HIS 20 HA HIS 20 7.023 2.361 5.356 147 1HB HIS 20 2HB HIS 20 5.062 0.177 5.590 148 2HB HIS 20 3HB HIS 20 4.360 1.775 5.752 149 HD1 HIS 20 HD1 HIS 20 7.294 0.998 3.454 150 HD2 HIS 20 HD2 HIS 20 3.203 1.894 3.230 151 HE1 HIS 20 HE1 HIS 20 6.781 1.385 0.984 152 H ALA 21 HN ALA 21 5.580 0.784 8.293 153 HA ALA 21 HA ALA 21 4.465 2.906 9.509 154 1HB ALA 21 1HB ALA 21 4.454 0.613 10.387 155 2HB ALA 21 2HB ALA 21 6.187 0.735 10.773 156 3HB ALA 21 3HB ALA 21 5.010 1.750 11.638 157 H GLU 22 HN GLU 22 7.979 2.007 9.616 158 HA GLU 22 HA GLU 22 8.911 3.836 11.299 159 1HB GLU 22 2HB GLU 22 11.000 3.884 9.837 160 2HB GLU 22 3HB GLU 22 10.425 2.288 10.272 161 1HG GLU 22 2HG GLU 22 9.868 1.749 8.109 162 2HG GLU 22 3HG GLU 22 9.223 3.343 7.768 163 H LYS 23 HN LYS 23 7.467 4.446 8.138 164 HA LYS 23 HA LYS 23 8.272 7.259 8.337 165 1HB LYS 23 2HB LYS 23 7.798 5.399 6.075 166 2HB LYS 23 3HB LYS 23 7.186 7.025 5.859 167 1HG LYS 23 2HG LYS 23 10.021 6.495 6.839 168 2HG LYS 23 3HG LYS 23 9.635 6.576 5.131 169 1HD LYS 23 2HD LYS 23 8.557 8.877 5.624 170 2HD LYS 23 3HD LYS 23 9.304 8.784 7.207 171 1HE LYS 23 2HE LYS 23 11.003 8.336 4.737 172 2HE LYS 23 3HE LYS 23 10.579 9.971 5.202 173 1HZ LYS 23 1HZ LYS 23 12.672 9.006 6.160 174 2HZ LYS 23 2HZ LYS 23 11.662 9.722 7.224 175 3HZ LYS 23 3HZ LYS 23 11.728 8.093 7.130 176 H LEU 24 HN LEU 24 5.448 5.126 7.512 177 HA LEU 24 HA LEU 24 3.572 7.192 7.635 178 1HB LEU 24 2HB LEU 24 3.326 4.202 7.954 179 2HB LEU 24 3HB LEU 24 1.950 5.286 7.898 180 HG LEU 24 HG LEU 24 2.725 6.048 5.629 181 1HD1 LEU 24 1HD LEU 24 4.286 4.494 4.423 182 2HD1 LEU 24 2HD LEU 24 5.045 5.511 5.671 183 3HD1 LEU 24 3HD LEU 24 4.708 3.795 6.005 184 1HD2 LEU 24 1HD LEU 24 2.280 3.083 5.532 185 2HD2 LEU 24 2HD LEU 24 1.027 4.147 6.214 186 3HD2 LEU 24 3HD LEU 24 1.573 4.379 4.536 187 H GLY 25 HN GLY 25 2.703 4.638 9.823 188 1HA GLY 25 1HA GLY 25 3.618 5.298 12.263 189 2HA GLY 25 2HA GLY 25 2.437 6.560 11.974 190 H CYS 26 HN CYS 26 0.439 5.230 10.506 191 HA CYS 26 HA CYS 26 -0.395 2.804 11.061 192 1HB CYS 26 2HB CYS 26 -0.393 4.321 13.594 193 2HB CYS 26 3HB CYS 26 -1.885 3.470 13.241 194 H ASP 27 HN ASP 27 -1.771 5.968 12.245 195 HA ASP 27 HA ASP 27 -4.253 5.759 11.391 196 1HB ASP 27 2HB ASP 27 -4.072 8.298 10.821 197 2HB ASP 27 3HB ASP 27 -3.690 7.789 12.453 198 H ALA 28 HN ALA 28 -1.332 6.095 9.405 199 HA ALA 28 HA ALA 28 -2.115 7.135 7.073 200 1HB ALA 28 1HB ALA 28 -0.669 5.089 6.119 201 2HB ALA 28 2HB ALA 28 0.072 6.408 7.057 202 3HB ALA 28 3HB ALA 28 -0.321 4.864 7.850 203 H CYS 29 HN CYS 29 -2.258 3.532 7.498 204 HA CYS 29 HA CYS 29 -4.562 3.569 5.715 205 1HB CYS 29 2HB CYS 29 -3.635 0.924 6.354 206 2HB CYS 29 3HB CYS 29 -3.748 1.728 4.800 207 H HIS 30 HN HIS 30 -3.503 3.122 9.023 208 HA HIS 30 HA HIS 30 -6.064 1.865 9.677 209 1HB HIS 30 2HB HIS 30 -3.488 1.989 11.270 210 2HB HIS 30 3HB HIS 30 -4.976 1.240 11.814 211 HD1 HIS 30 HD1 HIS 30 -5.648 -1.049 10.749 212 HD2 HIS 30 HD2 HIS 30 -2.031 0.527 9.326 213 HE1 HIS 30 HE1 HIS 30 -4.499 -2.937 9.477 214 H GLU 31 HN GLU 31 -5.966 2.632 12.485 215 HA GLU 31 HA GLU 31 -5.920 5.504 12.420 216 1HB GLU 31 2HB GLU 31 -8.226 5.813 13.078 217 2HB GLU 31 3HB GLU 31 -8.220 4.842 11.619 218 1HG GLU 31 2HG GLU 31 -8.131 2.825 13.426 219 2HG GLU 31 3HG GLU 31 -8.896 4.034 14.438 220 H GLY 32 HN GLY 32 -7.694 5.488 14.918 221 1HA GLY 32 1HA GLY 32 -5.672 5.306 16.841 222 2HA GLY 32 2HA GLY 32 -7.396 5.400 17.143 223 H THR 33 HN THR 33 -7.642 2.833 15.320 224 HA THR 33 HA THR 33 -6.369 0.820 16.940 225 HB THR 33 HB THR 33 -9.388 1.324 17.043 226 HG1 THR 33 HG1 THR 33 -8.786 1.571 19.297 227 1HG2 THR 33 1HG THR 33 -9.502 -0.680 18.466 228 2HG2 THR 33 2HG THR 33 -8.816 -1.151 16.892 229 3HG2 THR 33 3HG THR 33 -7.749 -0.937 18.301 230 HA PRO 34 HA PRO 34 -6.739 -0.697 12.860 231 1HB PRO 34 2HB PRO 34 -4.687 -2.494 13.017 232 2HB PRO 34 3HB PRO 34 -4.460 -0.818 12.556 233 1HG PRO 34 2HG PRO 34 -3.809 -2.141 15.119 234 2HG PRO 34 3HG PRO 34 -3.219 -0.615 14.490 235 1HD PRO 34 2HD PRO 34 -5.212 -0.979 16.521 236 2HD PRO 34 3HD PRO 34 -4.705 0.541 15.809 237 H ALA 35 HN ALA 35 -6.252 -3.324 12.139 238 HA ALA 35 HA ALA 35 -7.248 -5.236 13.801 239 1HB ALA 35 1HB ALA 35 -9.393 -4.621 14.153 240 2HB ALA 35 2HB ALA 35 -9.333 -3.383 12.876 241 3HB ALA 35 3HB ALA 35 -9.678 -5.079 12.456 242 H LYS 36 HN LYS 36 -8.000 -3.941 10.484 243 HA LYS 36 HA LYS 36 -6.303 -5.698 9.175 244 1HB LYS 36 2HB LYS 36 -7.565 -7.508 8.494 245 2HB LYS 36 3HB LYS 36 -8.077 -7.320 10.160 246 1HG LYS 36 2HG LYS 36 -10.214 -7.144 9.425 247 2HG LYS 36 3HG LYS 36 -9.794 -5.609 8.695 248 1HD LYS 36 2HD LYS 36 -8.840 -7.789 7.009 249 2HD LYS 36 3HD LYS 36 -10.541 -8.019 7.362 250 1HE LYS 36 2HE LYS 36 -9.906 -5.205 6.724 251 2HE LYS 36 3HE LYS 36 -9.474 -6.293 5.420 252 1HZ LYS 36 1HZ LYS 36 -11.602 -6.360 4.923 253 2HZ LYS 36 2HZ LYS 36 -11.931 -7.108 6.337 254 3HZ LYS 36 3HZ LYS 36 -12.020 -5.481 6.233 255 H ILE 37 HN ILE 37 -6.518 -5.500 6.801 256 HA ILE 37 HA ILE 37 -8.322 -3.317 6.044 257 HB ILE 37 HB ILE 37 -5.392 -3.549 5.349 258 1HG1 ILE 37 2HG ILE 37 -6.904 -1.612 7.121 259 2HG1 ILE 37 3HG ILE 37 -5.679 -2.763 7.616 260 1HG2 ILE 37 1HG ILE 37 -7.594 -1.781 4.315 261 2HG2 ILE 37 2HG ILE 37 -5.908 -1.212 4.353 262 3HG2 ILE 37 3HG ILE 37 -6.337 -2.667 3.421 263 1HD1 ILE 37 1HD ILE 37 -5.354 -0.196 6.054 264 2HD1 ILE 37 2HD ILE 37 -4.419 -0.796 7.446 265 3HD1 ILE 37 3HD ILE 37 -4.167 -1.505 5.833 266 H ALA 38 HN ALA 38 -9.115 -3.416 3.890 267 HA ALA 38 HA ALA 38 -8.857 -6.093 2.749 268 1HB ALA 38 1HB ALA 38 -11.120 -5.427 3.193 269 2HB ALA 38 2HB ALA 38 -10.871 -3.838 2.429 270 3HB ALA 38 3HB ALA 38 -10.889 -5.313 1.432 271 H ILE 39 HN ILE 39 -7.169 -6.256 1.342 272 HA ILE 39 HA ILE 39 -6.834 -4.020 -0.535 273 HB ILE 39 HB ILE 39 -4.817 -5.834 0.766 274 1HG1 ILE 39 2HG ILE 39 -5.636 -3.653 1.841 275 2HG1 ILE 39 3HG ILE 39 -3.908 -3.907 1.706 276 1HG2 ILE 39 1HG ILE 39 -3.957 -5.927 -1.357 277 2HG2 ILE 39 2HG ILE 39 -4.641 -4.352 -1.827 278 3HG2 ILE 39 3HG ILE 39 -3.211 -4.421 -0.769 279 1HD1 ILE 39 1HD ILE 39 -3.636 -2.235 0.138 280 2HD1 ILE 39 2HD ILE 39 -5.212 -2.552 -0.624 281 3HD1 ILE 39 3HD ILE 39 -5.128 -1.622 0.892 282 H ASP 40 HN ASP 40 -7.377 -4.470 -2.596 283 HA ASP 40 HA ASP 40 -6.697 -6.971 -3.714 284 1HB ASP 40 2HB ASP 40 -9.178 -6.912 -2.432 285 2HB ASP 40 3HB ASP 40 -9.607 -6.527 -4.087 286 H LYS 41 HN LYS 41 -7.758 -7.006 -6.111 287 HA LYS 41 HA LYS 41 -7.109 -4.504 -7.276 288 1HB LYS 41 2HB LYS 41 -6.798 -6.914 -8.191 289 2HB LYS 41 3HB LYS 41 -8.468 -6.786 -8.703 290 1HG LYS 41 2HG LYS 41 -7.583 -4.403 -9.648 291 2HG LYS 41 3HG LYS 41 -6.059 -5.269 -9.674 292 1HD LYS 41 2HD LYS 41 -6.847 -6.886 -11.221 293 2HD LYS 41 3HD LYS 41 -8.529 -6.578 -10.841 294 1HE LYS 41 2HE LYS 41 -8.135 -5.570 -12.994 295 2HE LYS 41 3HE LYS 41 -8.247 -4.246 -11.851 296 1HZ LYS 41 1HZ LYS 41 -6.128 -3.730 -12.180 297 2HZ LYS 41 2HZ LYS 41 -5.604 -5.276 -12.147 298 3HZ LYS 41 3HZ LYS 41 -6.209 -4.649 -13.528 299 H LYS 42 HN LYS 42 -8.844 -3.516 -5.648 300 HA LYS 42 HA LYS 42 -11.033 -2.761 -7.336 301 1HB LYS 42 2HB LYS 42 -12.758 -3.356 -5.578 302 2HB LYS 42 3HB LYS 42 -12.119 -4.687 -6.522 303 1HG LYS 42 2HG LYS 42 -11.633 -5.702 -4.548 304 2HG LYS 42 3HG LYS 42 -10.330 -4.544 -4.375 305 1HD LYS 42 2HD LYS 42 -12.036 -2.947 -3.301 306 2HD LYS 42 3HD LYS 42 -13.167 -4.286 -3.285 307 1HE LYS 42 2HE LYS 42 -11.641 -5.623 -1.879 308 2HE LYS 42 3HE LYS 42 -10.402 -4.388 -1.988 309 1HZ LYS 42 1HZ LYS 42 -11.496 -3.072 -0.554 310 2HZ LYS 42 2HZ LYS 42 -12.988 -3.538 -1.026 311 3HZ LYS 42 3HZ LYS 42 -12.115 -4.488 -0.025 312 H SER 43 HN SER 43 -9.633 -2.767 -3.994 313 HA SER 43 HA SER 43 -10.308 0.064 -3.894 314 1HB SER 43 2HB SER 43 -10.177 -2.114 -1.872 315 2HB SER 43 3HB SER 43 -9.493 -0.591 -1.339 316 HG SER 43 HG SER 43 -12.168 -1.044 -2.351 317 H ALA 44 HN ALA 44 -7.710 -2.384 -3.599 318 HA ALA 44 HA ALA 44 -5.685 -0.767 -2.626 319 1HB ALA 44 1HB ALA 44 -5.997 -3.394 -3.446 320 2HB ALA 44 2HB ALA 44 -4.867 -2.741 -4.655 321 3HB ALA 44 3HB ALA 44 -4.467 -2.650 -2.924 322 H HIS 45 HN HIS 45 -7.397 -0.665 -5.647 323 HA HIS 45 HA HIS 45 -5.213 0.813 -6.892 324 1HB HIS 45 2HB HIS 45 -7.587 -0.697 -7.890 325 2HB HIS 45 3HB HIS 45 -7.053 0.677 -8.836 326 HD1 HIS 45 HD1 HIS 45 -6.146 -0.716 -10.798 327 HD2 HIS 45 HD2 HIS 45 -4.417 -1.695 -7.105 328 HE1 HIS 45 HE1 HIS 45 -4.160 -2.231 -11.318 329 H LYS 46 HN LYS 46 -7.515 1.479 -4.706 330 HA LYS 46 HA LYS 46 -8.212 4.031 -5.987 331 1HB LYS 46 2HB LYS 46 -9.854 2.038 -4.618 332 2HB LYS 46 3HB LYS 46 -10.023 3.631 -3.908 333 1HG LYS 46 2HG LYS 46 -10.094 3.330 -6.924 334 2HG LYS 46 3HG LYS 46 -11.520 2.938 -5.986 335 1HD LYS 46 2HD LYS 46 -11.978 5.132 -5.533 336 2HD LYS 46 3HD LYS 46 -10.306 5.502 -5.163 337 1HE LYS 46 2HE LYS 46 -9.753 5.736 -7.534 338 2HE LYS 46 3HE LYS 46 -11.320 5.118 -8.016 339 1HZ LYS 46 1HZ LYS 46 -12.089 7.158 -7.885 340 2HZ LYS 46 2HZ LYS 46 -11.728 7.253 -6.296 341 3HZ LYS 46 3HZ LYS 46 -10.634 7.730 -7.410 342 H ASP 47 HN ASP 47 -9.140 5.313 -3.619 343 HA ASP 47 HA ASP 47 -7.020 6.573 -2.726 344 1HB ASP 47 2HB ASP 47 -9.363 5.658 -0.991 345 2HB ASP 47 3HB ASP 47 -8.273 6.964 -0.568 346 H ALA 48 HN ALA 48 -8.054 3.282 -1.856 347 HA ALA 48 HA ALA 48 -6.922 2.743 0.502 348 1HB ALA 48 1HB ALA 48 -8.061 1.228 -1.296 349 2HB ALA 48 2HB ALA 48 -6.397 0.921 -1.851 350 3HB ALA 48 3HB ALA 48 -6.873 0.501 -0.188 351 H CYS 49 HN CYS 49 -5.114 2.626 -2.654 352 HA CYS 49 HA CYS 49 -2.700 3.151 -1.074 353 1HB CYS 49 2HB CYS 49 -3.112 1.347 -3.450 354 2HB CYS 49 3HB CYS 49 -1.530 1.985 -3.052 355 H LYS 50 HN LYS 50 -4.299 3.416 -4.330 356 HA LYS 50 HA LYS 50 -2.735 5.055 -5.680 357 1HB LYS 50 2HB LYS 50 -5.616 4.630 -5.505 358 2HB LYS 50 3HB LYS 50 -5.232 6.259 -6.023 359 1HG LYS 50 2HG LYS 50 -3.699 3.978 -7.274 360 2HG LYS 50 3HG LYS 50 -5.361 4.223 -7.771 361 1HD LYS 50 2HD LYS 50 -3.709 6.707 -7.666 362 2HD LYS 50 3HD LYS 50 -3.201 5.538 -8.868 363 1HE LYS 50 2HE LYS 50 -5.756 5.435 -9.516 364 2HE LYS 50 3HE LYS 50 -5.886 6.938 -8.623 365 1HZ LYS 50 1HZ LYS 50 -5.290 7.791 -10.578 366 2HZ LYS 50 2HZ LYS 50 -3.766 7.420 -10.126 367 3HZ LYS 50 3HZ LYS 50 -4.586 6.424 -11.126 368 H THR 51 HN THR 51 -5.347 6.611 -3.703 369 HA THR 51 HA THR 51 -4.513 9.122 -3.651 370 HB THR 51 HB THR 51 -5.657 7.320 -1.485 371 HG1 THR 51 HG1 THR 51 -6.481 9.648 -3.076 372 1HG2 THR 51 1HG THR 51 -5.302 8.911 0.116 373 2HG2 THR 51 2HG THR 51 -4.443 9.940 -1.054 374 3HG2 THR 51 3HG THR 51 -6.211 10.061 -0.894 375 H CYS 52 HN CYS 52 -3.469 7.089 -0.849 376 HA CYS 52 HA CYS 52 -1.297 8.832 -0.378 377 1HB CYS 52 2HB CYS 52 -2.158 7.835 1.530 378 2HB CYS 52 3HB CYS 52 -2.248 6.245 0.798 379 H HIS 53 HN HIS 53 -0.117 8.840 -2.413 380 HA HIS 53 HA HIS 53 2.057 7.300 -2.580 381 1HB HIS 53 2HB HIS 53 -0.248 5.742 -3.404 382 2HB HIS 53 3HB HIS 53 0.888 5.908 -4.728 383 HD1 HIS 53 HD1 HIS 53 1.900 3.582 -4.717 384 HD2 HIS 53 HD2 HIS 53 2.006 5.424 -0.950 385 HE1 HIS 53 HE1 HIS 53 3.319 2.076 -3.224 386 H LYS 54 HN LYS 54 -0.672 8.506 -4.623 387 HA LYS 54 HA LYS 54 1.105 9.384 -6.677 388 1HB LYS 54 2HB LYS 54 -0.975 10.418 -7.604 389 2HB LYS 54 3HB LYS 54 -1.084 8.692 -7.317 390 1HG LYS 54 2HG LYS 54 -2.543 8.932 -5.504 391 2HG LYS 54 3HG LYS 54 -1.932 10.519 -5.077 392 1HD LYS 54 2HD LYS 54 -2.963 11.298 -7.364 393 2HD LYS 54 3HD LYS 54 -3.850 9.788 -7.317 394 1HE LYS 54 2HE LYS 54 -5.379 10.799 -5.978 395 2HE LYS 54 3HE LYS 54 -4.162 10.861 -4.717 396 1HZ LYS 54 1HZ LYS 54 -4.645 13.042 -4.982 397 2HZ LYS 54 2HZ LYS 54 -3.411 12.938 -6.047 398 3HZ LYS 54 3HZ LYS 54 -4.955 12.935 -6.582 399 H SER 55 HN SER 55 2.539 10.494 -4.968 400 HA SER 55 HA SER 55 2.161 13.232 -5.261 401 1HB SER 55 2HB SER 55 0.480 13.030 -3.501 402 2HB SER 55 3HB SER 55 1.574 12.106 -2.491 403 HG SER 55 HG SER 55 2.830 13.930 -2.106 404 H ASN 56 HN ASN 56 3.474 10.898 -2.785 405 HA ASN 56 HA ASN 56 5.974 12.295 -2.867 406 1HB ASN 56 2HB ASN 56 4.880 9.941 -1.264 407 2HB ASN 56 3HB ASN 56 6.580 10.358 -1.190 408 1HD2 ASN 56 1HD ASN 56 6.740 11.113 0.821 409 2HD2 ASN 56 2HD ASN 56 5.908 12.494 1.455 410 H ASN 57 HN ASN 57 7.933 10.388 -2.646 411 HA ASN 57 HA ASN 57 8.251 9.480 -5.214 412 1HB ASN 57 2HB ASN 57 10.107 8.034 -4.163 413 2HB ASN 57 3HB ASN 57 10.203 9.749 -3.815 414 1HD2 ASN 57 1HD ASN 57 11.541 8.177 -2.191 415 2HD2 ASN 57 2HD ASN 57 10.791 7.999 -0.640 416 H GLY 58 HN GLY 58 6.795 7.982 -6.114 417 1HA GLY 58 1HA GLY 58 6.719 5.321 -5.021 418 2HA GLY 58 2HA GLY 58 5.197 6.177 -4.860 419 HA PRO 59 HA PRO 59 5.099 4.435 -9.009 420 1HB PRO 59 2HB PRO 59 2.544 3.471 -8.903 421 2HB PRO 59 3HB PRO 59 3.950 2.508 -8.492 422 1HG PRO 59 2HG PRO 59 1.951 3.733 -6.691 423 2HG PRO 59 3HG PRO 59 3.089 2.444 -6.353 424 1HD PRO 59 2HD PRO 59 3.310 5.185 -5.538 425 2HD PRO 59 3HD PRO 59 4.501 3.922 -5.302 426 H THR 60 HN THR 60 3.839 4.924 -10.973 427 HA THR 60 HA THR 60 1.777 6.765 -10.940 428 HB THR 60 HB THR 60 4.530 7.918 -10.601 429 HG1 THR 60 HG1 THR 60 1.765 8.853 -10.289 430 1HG2 THR 60 1HG THR 60 4.339 9.032 -12.641 431 2HG2 THR 60 2HG THR 60 2.579 8.781 -12.725 432 3HG2 THR 60 3HG THR 60 3.248 10.061 -11.683 433 H LYS 61 HN LYS 61 4.740 5.540 -12.516 434 HA LYS 61 HA LYS 61 3.537 6.026 -15.117 435 1HB LYS 61 2HB LYS 61 5.663 5.575 -16.028 436 2HB LYS 61 3HB LYS 61 5.964 6.526 -14.588 437 1HG LYS 61 2HG LYS 61 6.243 4.254 -13.348 438 2HG LYS 61 3HG LYS 61 6.309 3.520 -14.938 439 1HD LYS 61 2HD LYS 61 8.327 4.623 -15.514 440 2HD LYS 61 3HD LYS 61 8.096 5.889 -14.327 441 1HE LYS 61 2HE LYS 61 8.299 3.117 -13.217 442 2HE LYS 61 3HE LYS 61 9.760 3.736 -13.961 443 1HZ LYS 61 1HZ LYS 61 8.305 5.450 -12.118 444 2HZ LYS 61 2HZ LYS 61 9.227 4.247 -11.508 445 3HZ LYS 61 3HZ LYS 61 9.906 5.403 -12.441 446 H CYS 62 HN CYS 62 2.118 4.250 -13.341 447 HA CYS 62 HA CYS 62 1.370 2.174 -13.147 448 1HB CYS 62 2HB CYS 62 0.253 2.871 -15.162 449 2HB CYS 62 3HB CYS 62 1.625 2.409 -16.149 450 H GLY 63 HN GLY 63 3.163 1.209 -12.000 451 1HA GLY 63 1HA GLY 63 4.202 -1.109 -12.817 452 2HA GLY 63 2HA GLY 63 5.324 0.024 -13.541 453 H GLY 64 HN GLY 64 4.973 2.078 -11.377 454 1HA GLY 64 1HA GLY 64 7.098 1.584 -9.777 455 2HA GLY 64 2HA GLY 64 5.732 2.577 -9.308 456 H CYS 65 HN CYS 65 3.724 0.408 -9.343 457 HA CYS 65 HA CYS 65 4.471 -0.765 -6.800 458 1HB CYS 65 2HB CYS 65 1.990 0.068 -8.079 459 2HB CYS 65 3HB CYS 65 1.866 -1.543 -7.401 460 H HIS 66 HN HIS 66 3.345 -1.623 -10.131 461 HA HIS 66 HA HIS 66 3.877 -4.420 -9.532 462 1HB HIS 66 2HB HIS 66 2.332 -2.978 -11.674 463 2HB HIS 66 3HB HIS 66 2.861 -4.628 -11.930 464 HD1 HIS 66 HD1 HIS 66 1.233 -6.369 -11.195 465 HD2 HIS 66 HD2 HIS 66 0.767 -2.783 -9.070 466 HE1 HIS 66 HE1 HIS 66 -0.778 -6.704 -9.659 467 H ILE 67 HN ILE 67 6.041 -4.858 -9.685 468 HA ILE 67 HA ILE 67 7.710 -3.461 -11.506 469 HB ILE 67 HB ILE 67 8.110 -5.890 -9.764 470 1HG1 ILE 67 2HG ILE 67 9.660 -3.496 -9.172 471 2HG1 ILE 67 3HG ILE 67 7.938 -3.166 -9.150 472 1HG2 ILE 67 1HG ILE 67 9.595 -6.038 -11.707 473 2HG2 ILE 67 2HG ILE 67 10.185 -4.390 -11.386 474 3HG2 ILE 67 3HG ILE 67 10.501 -5.692 -10.214 475 1HD1 ILE 67 1HD ILE 67 8.290 -3.910 -6.958 476 2HD1 ILE 67 2HD ILE 67 7.802 -5.423 -7.759 477 3HD1 ILE 67 3HD ILE 67 9.524 -5.095 -7.450 478 H LYS 68 HN LYS 68 7.087 -3.666 -13.643 479 HA LYS 68 HA LYS 68 6.186 -6.092 -14.739 480 1HB LYS 68 2HB LYS 68 5.844 -3.668 -15.551 481 2HB LYS 68 3HB LYS 68 7.421 -3.819 -16.299 482 1HG LYS 68 2HG LYS 68 6.246 -4.679 -18.068 483 2HG LYS 68 3HG LYS 68 6.280 -6.165 -17.141 484 1HD LYS 68 2HD LYS 68 4.078 -5.639 -16.141 485 2HD LYS 68 3HD LYS 68 4.052 -4.084 -16.948 486 1HE LYS 68 2HE LYS 68 4.078 -5.229 -19.170 487 2HE LYS 68 3HE LYS 68 4.123 -6.788 -18.372 488 1HZ LYS 68 1HZ LYS 68 1.990 -6.537 -17.627 489 2HZ LYS 68 2HZ LYS 68 1.997 -4.906 -17.715 490 3HZ LYS 68 3HZ LYS 68 1.891 -5.797 -19.080 491 HHA HEC 98 HGM HEC 98 -4.165 -5.972 8.778 492 HHB HEC 98 HDM HEC 98 -2.038 -2.972 13.823 493 HHC HEC 98 HAM HEC 98 1.232 0.890 10.015 494 HHD HEC 98 HBM HEC 98 -1.353 -1.930 5.099 495 1HMA HEC 98 1HM HEC 98 -2.706 -6.443 14.064 496 2HMA HEC 98 2HM HEC 98 -2.862 -4.741 14.560 497 3HMA HEC 98 3HM HEC 98 -4.312 -5.680 14.136 498 1HAA HEC 98 1HA HEC 98 -4.589 -7.389 12.180 499 2HAA HEC 98 2HA HEC 98 -5.083 -6.912 10.538 500 1HBA HEC 98 3HB HEC 98 -3.868 -8.801 9.919 501 2HBA HEC 98 4HB HEC 98 -2.480 -7.695 10.055 502 1HMB HEC 98 1HM HEC 98 0.090 -0.628 15.268 503 2HMB HEC 98 2HM HEC 98 -1.454 0.168 14.885 504 3HMB HEC 98 3HM HEC 98 -1.385 -1.602 15.057 505 HAB HEC 98 HT2 HEC 98 1.008 1.903 12.137 506 1HBB HEC 98 1HT HEC 98 2.808 0.474 11.474 507 2HBB HEC 98 2HT HEC 98 3.255 1.724 12.658 508 3HBB HEC 98 3HT HEC 98 3.066 0.032 13.178 509 1HMC HEC 98 1HM HEC 98 1.192 2.711 7.494 510 2HMC HEC 98 2HM HEC 98 2.230 1.772 8.592 511 3HMC HEC 98 3HM HEC 98 2.479 1.674 6.833 512 HAC HEC 98 HT4 HEC 98 -1.005 0.640 4.711 513 1HBC HEC 98 1HT HEC 98 1.228 0.381 3.202 514 2HBC HEC 98 2HT HEC 98 1.623 -0.767 4.503 515 3HBC HEC 98 3HT HEC 98 0.133 -0.977 3.553 516 1HMD HEC 98 1HM HEC 98 -3.893 -4.003 3.711 517 2HMD HEC 98 2HM HEC 98 -2.633 -2.746 3.730 518 3HMD HEC 98 3HM HEC 98 -2.176 -4.460 3.598 519 1HAD HEC 98 1HA HEC 98 -4.265 -6.786 6.663 520 2HAD HEC 98 2HA HEC 98 -4.842 -5.873 5.248 521 1HBD HEC 98 3HB HEC 98 -3.649 -7.537 4.237 522 2HBD HEC 98 4HB HEC 98 -2.396 -6.281 4.384 523 HHA HEC 128 HGM HEC 128 8.083 3.226 -1.235 524 HHB HEC 128 HDM HEC 128 3.809 -0.966 -3.003 525 HHC HEC 128 HAM HEC 128 -0.306 1.699 1.006 526 HHD HEC 128 HBM HEC 128 3.938 6.072 2.300 527 1HMA HEC 128 1HM HEC 128 6.796 -0.927 -4.545 528 2HMA HEC 128 2HM HEC 128 7.411 -1.794 -3.117 529 3HMA HEC 128 3HM HEC 128 5.676 -1.847 -3.511 530 1HAA HEC 128 1HA HEC 128 9.030 0.221 -3.205 531 2HAA HEC 128 2HA HEC 128 8.994 1.956 -2.811 532 1HBA HEC 128 3HB HEC 128 9.064 1.178 -0.298 533 2HBA HEC 128 4HB HEC 128 9.573 -0.400 -0.943 534 1HMB HEC 128 1HM HEC 128 1.051 -2.563 -2.573 535 2HMB HEC 128 2HM HEC 128 0.274 -1.297 -3.552 536 3HMB HEC 128 3HM HEC 128 2.027 -1.577 -3.688 537 HAB HEC 128 HT2 HEC 128 -1.432 0.394 -0.301 538 1HBB HEC 128 1HT HEC 128 -1.546 -2.328 0.273 539 2HBB HEC 128 2HT HEC 128 -0.068 -1.650 0.996 540 3HBB HEC 128 3HT HEC 128 -1.648 -0.908 1.339 541 1HMC HEC 128 1HM HEC 128 -0.911 3.302 3.622 542 2HMC HEC 128 2HM HEC 128 -1.456 4.616 2.552 543 3HMC HEC 128 3HM HEC 128 -1.452 2.937 1.966 544 HAC HEC 128 HT4 HEC 128 2.048 6.668 3.307 545 1HBC HEC 128 1HT HEC 128 -0.528 7.074 4.145 546 2HBC HEC 128 2HT HEC 128 -0.456 5.296 4.127 547 3HBC HEC 128 3HT HEC 128 0.713 6.223 5.097 548 1HMD HEC 128 1HM HEC 128 6.143 7.962 1.384 549 2HMD HEC 128 2HM HEC 128 5.597 7.134 2.862 550 3HMD HEC 128 3HM HEC 128 7.327 7.164 2.447 551 1HAD HEC 128 1HA HEC 128 9.112 5.078 -0.265 552 2HAD HEC 128 2HA HEC 128 8.728 6.536 0.681 553 1HBD HEC 128 3HB HEC 128 8.813 5.117 2.741 554 2HBD HEC 128 4HB HEC 128 9.418 3.788 1.723 555 HHA HEC 158 HGM HEC 158 -3.550 -7.012 -7.444 556 HHB HEC 158 HDM HEC 158 -2.523 -5.125 -13.306 557 HHC HEC 158 HAM HEC 158 -0.528 0.446 -11.048 558 HHD HEC 158 HBM HEC 158 -1.180 -1.776 -5.264 559 1HMA HEC 158 1HM HEC 158 -4.374 -6.634 -13.376 560 2HMA HEC 158 2HM HEC 158 -3.264 -7.977 -13.013 561 3HMA HEC 158 3HM HEC 158 -4.941 -8.022 -12.418 562 1HAA HEC 158 1HA HEC 158 -4.833 -8.104 -8.455 563 2HAA HEC 158 2HA HEC 158 -5.641 -8.343 -10.022 564 1HBA HEC 158 3HB HEC 158 -2.990 -9.215 -10.493 565 2HBA HEC 158 4HB HEC 158 -3.351 -9.821 -8.860 566 1HMB HEC 158 1HM HEC 158 -1.961 -4.135 -14.959 567 2HMB HEC 158 2HM HEC 158 -1.532 -2.524 -15.583 568 3HMB HEC 158 3HM HEC 158 -0.256 -3.626 -15.011 569 HAB HEC 158 HT2 HEC 158 0.405 -0.008 -13.465 570 1HBB HEC 158 1HT HEC 158 -0.582 1.781 -12.950 571 2HBB HEC 158 2HT HEC 158 -1.787 1.530 -14.234 572 3HBB HEC 158 3HT HEC 158 -2.078 0.883 -12.602 573 1HMC HEC 158 1HM HEC 158 0.828 1.769 -9.898 574 2HMC HEC 158 2HM HEC 158 -0.661 2.535 -9.292 575 3HMC HEC 158 3HM HEC 158 0.764 2.398 -8.235 576 HAC HEC 158 HT4 HEC 158 0.152 -0.083 -5.161 577 1HBC HEC 158 1HT HEC 158 -0.003 2.188 -4.481 578 2HBC HEC 158 2HT HEC 158 0.092 2.785 -6.156 579 3HBC HEC 158 3HT HEC 158 -1.373 1.948 -5.591 580 1HMD HEC 158 1HM HEC 158 -2.781 -3.803 -3.006 581 2HMD HEC 158 2HM HEC 158 -1.075 -4.275 -3.187 582 3HMD HEC 158 3HM HEC 158 -1.577 -2.603 -3.534 583 1HAD HEC 158 1HA HEC 158 -3.841 -5.667 -3.687 584 2HAD HEC 158 2HA HEC 158 -4.409 -6.558 -5.119 585 1HBD HEC 158 3HB HEC 158 -1.624 -6.956 -4.073 586 2HBD HEC 158 4HB HEC 158 -3.012 -7.789 -3.335 Start of MODEL 15 1 H ALA 1 HN ALA 1 4.023 -4.198 12.385 2 HA ALA 1 HA ALA 1 5.132 -6.118 12.460 3 1HB ALA 1 1HB ALA 1 3.204 -6.704 10.995 4 2HB ALA 1 2HB ALA 1 4.202 -6.335 9.568 5 3HB ALA 1 3HB ALA 1 4.648 -7.684 10.640 6 H ASP 2 HN ASP 2 5.759 -5.204 8.999 7 HA ASP 2 HA ASP 2 8.231 -4.183 9.311 8 1HB ASP 2 2HB ASP 2 9.148 -6.156 10.279 9 2HB ASP 2 3HB ASP 2 8.230 -7.213 9.225 10 H VAL 3 HN VAL 3 6.557 -6.861 7.493 11 HA VAL 3 HA VAL 3 6.297 -5.255 5.170 12 HB VAL 3 HB VAL 3 8.685 -5.819 5.019 13 1HG1 VAL 3 1HG VAL 3 8.585 -7.982 6.231 14 2HG1 VAL 3 2HG VAL 3 7.762 -8.707 4.829 15 3HG1 VAL 3 3HG VAL 3 9.431 -8.108 4.670 16 1HG2 VAL 3 1HG VAL 3 6.861 -5.827 3.030 17 2HG2 VAL 3 2HG VAL 3 8.604 -6.069 2.761 18 3HG2 VAL 3 3HG VAL 3 7.513 -7.472 2.842 19 H VAL 4 HN VAL 4 4.818 -6.202 3.676 20 HA VAL 4 HA VAL 4 3.840 -8.856 4.411 21 HB VAL 4 HB VAL 4 2.225 -6.313 4.226 22 1HG1 VAL 4 1HG VAL 4 0.579 -7.498 3.282 23 2HG1 VAL 4 2HG VAL 4 1.464 -9.029 3.489 24 3HG1 VAL 4 3HG VAL 4 0.462 -8.393 4.817 25 1HG2 VAL 4 1HG VAL 4 1.708 -6.612 6.459 26 2HG2 VAL 4 2HG VAL 4 2.014 -8.364 6.410 27 3HG2 VAL 4 3HG VAL 4 3.379 -7.222 6.409 28 H THR 5 HN THR 5 5.407 -9.011 2.423 29 HA THR 5 HA THR 5 4.577 -7.989 -0.054 30 HB THR 5 HB THR 5 6.300 -10.365 0.810 31 HG1 THR 5 HG1 THR 5 7.879 -8.653 0.006 32 1HG2 THR 5 1HG THR 5 6.107 -9.016 -1.935 33 2HG2 THR 5 2HG THR 5 7.240 -10.308 -1.474 34 3HG2 THR 5 3HG THR 5 5.496 -10.649 -1.577 35 H TYR 6 HN TYR 6 3.617 -9.069 -1.885 36 HA TYR 6 HA TYR 6 1.905 -11.326 -1.123 37 1HB TYR 6 2HB TYR 6 1.310 -8.528 -2.065 38 2HB TYR 6 3HB TYR 6 0.437 -9.772 -2.939 39 HD1 TYR 6 HD1 TYR 6 1.319 -9.146 0.666 40 HD2 TYR 6 HD2 TYR 6 -1.725 -10.089 -2.188 41 HE1 TYR 6 HE1 TYR 6 -0.406 -9.256 2.530 42 HE2 TYR 6 HE2 TYR 6 -3.440 -10.195 -0.313 43 HH TYR 6 HH TYR 6 -2.624 -10.460 2.860 44 H GLU 7 HN GLU 7 0.867 -12.327 -3.170 45 HA GLU 7 HA GLU 7 2.811 -12.130 -5.338 46 1HB GLU 7 2HB GLU 7 1.472 -14.601 -4.168 47 2HB GLU 7 3HB GLU 7 2.262 -14.614 -5.731 48 1HG GLU 7 2HG GLU 7 4.077 -13.350 -3.901 49 2HG GLU 7 3HG GLU 7 3.462 -14.778 -3.094 50 H ASN 8 HN ASN 8 1.915 -11.449 -7.233 51 HA ASN 8 HA ASN 8 -0.972 -11.724 -7.447 52 1HB ASN 8 2HB ASN 8 1.063 -9.775 -8.573 53 2HB ASN 8 3HB ASN 8 -0.440 -10.010 -9.442 54 1HD2 ASN 8 1HD ASN 8 0.810 -7.807 -7.751 55 2HD2 ASN 8 2HD ASN 8 -0.440 -7.311 -6.658 56 H LYS 9 HN LYS 9 -1.511 -11.683 -10.090 57 HA LYS 9 HA LYS 9 -0.271 -14.102 -11.056 58 1HB LYS 9 2HB LYS 9 -2.811 -12.805 -11.315 59 2HB LYS 9 3HB LYS 9 -2.136 -13.004 -12.920 60 1HG LYS 9 2HG LYS 9 -1.734 -15.419 -12.477 61 2HG LYS 9 3HG LYS 9 -2.341 -15.236 -10.843 62 1HD LYS 9 2HD LYS 9 -4.256 -14.173 -12.796 63 2HD LYS 9 3HD LYS 9 -3.854 -15.839 -13.158 64 1HE LYS 9 2HE LYS 9 -5.658 -16.050 -11.642 65 2HE LYS 9 3HE LYS 9 -4.257 -16.299 -10.618 66 1HZ LYS 9 1HZ LYS 9 -6.130 -14.163 -10.604 67 2HZ LYS 9 2HZ LYS 9 -5.120 -14.666 -9.424 68 3HZ LYS 9 3HZ LYS 9 -4.586 -13.635 -10.570 69 H LYS 10 HN LYS 10 -0.459 -10.606 -11.881 70 HA LYS 10 HA LYS 10 1.484 -11.108 -14.015 71 1HB LYS 10 2HB LYS 10 -0.421 -8.808 -13.505 72 2HB LYS 10 3HB LYS 10 0.841 -8.764 -14.721 73 1HG LYS 10 2HG LYS 10 -0.420 -11.240 -15.172 74 2HG LYS 10 3HG LYS 10 -1.749 -10.172 -14.766 75 1HD LYS 10 2HD LYS 10 -1.627 -9.695 -17.024 76 2HD LYS 10 3HD LYS 10 -0.459 -8.515 -16.461 77 1HE LYS 10 2HE LYS 10 1.268 -9.576 -17.505 78 2HE LYS 10 3HE LYS 10 0.806 -11.136 -16.856 79 1HZ LYS 10 1HZ LYS 10 -0.333 -9.825 -19.224 80 2HZ LYS 10 2HZ LYS 10 0.575 -11.182 -19.192 81 3HZ LYS 10 3HZ LYS 10 -0.937 -11.196 -18.573 82 H GLY 11 HN GLY 11 2.649 -11.493 -11.626 83 1HA GLY 11 1HA GLY 11 4.843 -10.489 -11.182 84 2HA GLY 11 2HA GLY 11 4.041 -8.933 -11.097 85 H ASN 12 HN ASN 12 4.813 -8.620 -8.906 86 HA ASN 12 HA ASN 12 3.046 -9.872 -7.022 87 1HB ASN 12 2HB ASN 12 6.091 -9.938 -6.672 88 2HB ASN 12 3HB ASN 12 4.931 -10.448 -5.460 89 1HD2 ASN 12 1HD ASN 12 7.026 -11.575 -7.606 90 2HD2 ASN 12 2HD ASN 12 6.300 -13.071 -8.092 91 H VAL 13 HN VAL 13 2.472 -8.322 -5.445 92 HA VAL 13 HA VAL 13 3.926 -5.788 -5.582 93 HB VAL 13 HB VAL 13 1.581 -5.667 -6.093 94 1HG1 VAL 13 1HG VAL 13 0.683 -7.625 -5.072 95 2HG1 VAL 13 2HG VAL 13 1.187 -7.095 -3.449 96 3HG1 VAL 13 3HG VAL 13 -0.118 -6.235 -4.301 97 1HG2 VAL 13 1HG VAL 13 2.793 -3.947 -4.544 98 2HG2 VAL 13 2HG VAL 13 1.027 -3.855 -4.750 99 3HG2 VAL 13 3HG VAL 13 1.717 -4.594 -3.285 100 H THR 14 HN THR 14 5.205 -5.129 -3.923 101 HA THR 14 HA THR 14 5.134 -6.779 -1.494 102 HB THR 14 HB THR 14 7.262 -5.013 -2.807 103 HG1 THR 14 HG1 THR 14 8.219 -7.224 -2.891 104 1HG2 THR 14 1HG THR 14 7.054 -6.177 -0.051 105 2HG2 THR 14 2HG THR 14 8.572 -6.511 -0.920 106 3HG2 THR 14 3HG THR 14 8.060 -4.830 -0.634 107 H PHE 15 HN PHE 15 4.617 -5.977 0.472 108 HA PHE 15 HA PHE 15 3.717 -3.205 0.471 109 1HB PHE 15 2HB PHE 15 3.343 -5.680 2.249 110 2HB PHE 15 3HB PHE 15 2.750 -4.108 2.745 111 HD1 PHE 15 HD1 PHE 15 0.500 -3.796 2.424 112 HD2 PHE 15 HD2 PHE 15 2.626 -6.184 -0.367 113 HE1 PHE 15 HE1 PHE 15 -1.623 -4.194 1.146 114 HE2 PHE 15 HE2 PHE 15 0.502 -6.580 -1.645 115 HZ PHE 15 HZ PHE 15 -1.597 -5.581 -0.873 116 H ASP 16 HN ASP 16 3.875 -2.347 2.997 117 HA ASP 16 HA ASP 16 6.424 -2.998 4.106 118 1HB ASP 16 2HB ASP 16 5.839 -0.173 3.096 119 2HB ASP 16 3HB ASP 16 7.244 -0.634 4.038 120 H HIS 17 HN HIS 17 5.772 -3.191 6.257 121 HA HIS 17 HA HIS 17 3.628 -1.473 7.185 122 1HB HIS 17 2HB HIS 17 4.276 -4.153 7.596 123 2HB HIS 17 3HB HIS 17 4.726 -3.383 9.105 124 HD1 HIS 17 HD1 HIS 17 2.829 -3.999 10.638 125 HD2 HIS 17 HD2 HIS 17 1.488 -2.527 6.946 126 HE1 HIS 17 HE1 HIS 17 0.294 -3.785 10.832 127 H LYS 18 HN LYS 18 7.028 -2.407 8.024 128 HA LYS 18 HA LYS 18 7.137 -0.266 9.962 129 1HB LYS 18 2HB LYS 18 8.146 -2.509 10.378 130 2HB LYS 18 3HB LYS 18 9.282 -2.217 9.077 131 1HG LYS 18 2HG LYS 18 10.618 -1.263 10.656 132 2HG LYS 18 3HG LYS 18 9.532 0.110 10.582 133 1HD LYS 18 2HD LYS 18 8.685 -2.174 12.339 134 2HD LYS 18 3HD LYS 18 10.059 -1.235 12.887 135 1HE LYS 18 2HE LYS 18 8.780 0.818 12.906 136 2HE LYS 18 3HE LYS 18 7.468 0.099 11.993 137 1HZ LYS 18 1HZ LYS 18 7.294 -1.476 13.949 138 2HZ LYS 18 2HZ LYS 18 8.216 -0.409 14.772 139 3HZ LYS 18 3HZ LYS 18 6.768 0.053 14.174 140 H ALA 19 HN ALA 19 8.532 -1.138 6.749 141 HA ALA 19 HA ALA 19 10.264 0.975 6.471 142 1HB ALA 19 1HB ALA 19 9.068 -1.073 4.854 143 2HB ALA 19 2HB ALA 19 8.997 0.462 3.957 144 3HB ALA 19 3HB ALA 19 10.559 -0.150 4.552 145 H HIS 20 HN HIS 20 6.722 0.882 6.371 146 HA HIS 20 HA HIS 20 6.660 3.591 5.321 147 1HB HIS 20 2HB HIS 20 4.569 1.470 5.801 148 2HB HIS 20 3HB HIS 20 4.121 3.138 5.502 149 HD1 HIS 20 HD1 HIS 20 7.132 2.116 3.619 150 HD2 HIS 20 HD2 HIS 20 2.977 2.040 3.046 151 HE1 HIS 20 HE1 HIS 20 6.761 1.723 1.125 152 H ALA 21 HN ALA 21 5.341 1.711 8.142 153 HA ALA 21 HA ALA 21 4.305 3.688 9.624 154 1HB ALA 21 1HB ALA 21 4.223 1.418 10.375 155 2HB ALA 21 2HB ALA 21 5.999 1.303 10.446 156 3HB ALA 21 3HB ALA 21 5.125 2.318 11.618 157 H GLU 22 HN GLU 22 7.819 2.780 9.511 158 HA GLU 22 HA GLU 22 8.859 4.389 11.316 159 1HB GLU 22 2HB GLU 22 10.862 4.613 9.831 160 2HB GLU 22 3HB GLU 22 10.235 2.977 9.885 161 1HG GLU 22 2HG GLU 22 9.663 2.989 7.669 162 2HG GLU 22 3HG GLU 22 8.985 4.602 7.753 163 H LYS 23 HN LYS 23 7.283 5.419 8.307 164 HA LYS 23 HA LYS 23 8.056 8.186 8.871 165 1HB LYS 23 2HB LYS 23 7.463 6.643 6.421 166 2HB LYS 23 3HB LYS 23 6.755 8.245 6.465 167 1HG LYS 23 2HG LYS 23 9.673 7.802 7.199 168 2HG LYS 23 3HG LYS 23 9.181 7.996 5.529 169 1HD LYS 23 2HD LYS 23 7.920 10.151 6.424 170 2HD LYS 23 3HD LYS 23 9.002 10.002 7.795 171 1HE LYS 23 2HE LYS 23 10.675 10.959 6.601 172 2HE LYS 23 3HE LYS 23 10.596 9.663 5.424 173 1HZ LYS 23 1HZ LYS 23 9.384 12.277 5.332 174 2HZ LYS 23 2HZ LYS 23 10.016 11.379 4.123 175 3HZ LYS 23 3HZ LYS 23 8.514 11.059 4.681 176 H LEU 24 HN LEU 24 5.183 6.139 8.011 177 HA LEU 24 HA LEU 24 3.333 8.176 8.587 178 1HB LEU 24 2HB LEU 24 3.048 5.174 8.417 179 2HB LEU 24 3HB LEU 24 1.702 6.284 8.582 180 HG LEU 24 HG LEU 24 2.460 7.379 6.427 181 1HD1 LEU 24 1HD LEU 24 4.323 5.000 6.422 182 2HD1 LEU 24 2HD LEU 24 3.849 5.862 4.938 183 3HD1 LEU 24 3HD LEU 24 4.719 6.725 6.229 184 1HD2 LEU 24 1HD LEU 24 0.904 5.085 6.897 185 2HD2 LEU 24 2HD LEU 24 0.839 6.183 5.498 186 3HD2 LEU 24 3HD LEU 24 1.870 4.732 5.444 187 H GLY 25 HN GLY 25 2.736 5.202 10.343 188 1HA GLY 25 1HA GLY 25 3.589 5.068 12.706 189 2HA GLY 25 2HA GLY 25 3.010 6.715 12.868 190 H CYS 26 HN CYS 26 1.526 3.933 11.081 191 HA CYS 26 HA CYS 26 -0.502 3.087 11.156 192 1HB CYS 26 2HB CYS 26 -1.105 3.177 13.953 193 2HB CYS 26 3HB CYS 26 -0.692 1.805 12.944 194 H ASP 27 HN ASP 27 -1.949 4.508 10.187 195 HA ASP 27 HA ASP 27 -3.909 5.691 11.543 196 1HB ASP 27 2HB ASP 27 -1.505 7.248 11.867 197 2HB ASP 27 3HB ASP 27 -2.582 8.165 10.834 198 H ALA 28 HN ALA 28 -1.533 5.834 8.900 199 HA ALA 28 HA ALA 28 -3.180 7.320 7.109 200 1HB ALA 28 1HB ALA 28 -0.493 6.461 7.278 201 2HB ALA 28 2HB ALA 28 -1.162 5.668 5.832 202 3HB ALA 28 3HB ALA 28 -1.234 7.439 5.988 203 H CYS 29 HN CYS 29 -2.843 3.948 8.105 204 HA CYS 29 HA CYS 29 -4.658 3.210 5.926 205 1HB CYS 29 2HB CYS 29 -2.989 1.262 7.503 206 2HB CYS 29 3HB CYS 29 -3.814 1.011 5.977 207 H HIS 30 HN HIS 30 -3.778 2.739 9.415 208 HA HIS 30 HA HIS 30 -6.496 1.792 9.886 209 1HB HIS 30 2HB HIS 30 -4.258 1.792 11.904 210 2HB HIS 30 3HB HIS 30 -5.707 0.808 11.874 211 HD1 HIS 30 HD1 HIS 30 -5.743 -1.251 10.226 212 HD2 HIS 30 HD2 HIS 30 -2.104 0.830 10.371 213 HE1 HIS 30 HE1 HIS 30 -4.014 -2.753 9.100 214 H GLU 31 HN GLU 31 -7.169 2.526 12.347 215 HA GLU 31 HA GLU 31 -6.418 4.911 13.344 216 1HB GLU 31 2HB GLU 31 -8.315 6.422 12.441 217 2HB GLU 31 3HB GLU 31 -6.925 6.169 11.405 218 1HG GLU 31 2HG GLU 31 -8.199 4.279 10.268 219 2HG GLU 31 3HG GLU 31 -9.603 4.713 11.224 220 H GLY 32 HN GLY 32 -7.007 3.243 15.007 221 1HA GLY 32 1HA GLY 32 -8.787 3.604 16.749 222 2HA GLY 32 2HA GLY 32 -9.921 3.147 15.494 223 H THR 33 HN THR 33 -8.646 1.042 14.172 224 HA THR 33 HA THR 33 -7.774 -0.855 16.190 225 HB THR 33 HB THR 33 -10.371 -1.105 14.589 226 HG1 THR 33 HG1 THR 33 -10.575 -0.025 16.622 227 1HG2 THR 33 1HG THR 33 -10.188 -3.374 14.767 228 2HG2 THR 33 2HG THR 33 -8.561 -3.191 15.464 229 3HG2 THR 33 3HG THR 33 -9.987 -3.201 16.527 230 HA PRO 34 HA PRO 34 -5.440 -1.583 12.558 231 1HB PRO 34 2HB PRO 34 -3.295 -2.727 13.805 232 2HB PRO 34 3HB PRO 34 -3.445 -1.000 13.548 233 1HG PRO 34 2HG PRO 34 -3.801 -2.540 16.047 234 2HG PRO 34 3HG PRO 34 -3.526 -0.821 15.847 235 1HD PRO 34 2HD PRO 34 -6.019 -2.102 16.458 236 2HD PRO 34 3HD PRO 34 -5.767 -0.396 16.144 237 H ALA 35 HN ALA 35 -7.043 -2.999 11.722 238 HA ALA 35 HA ALA 35 -6.461 -5.779 12.481 239 1HB ALA 35 1HB ALA 35 -8.975 -4.836 11.089 240 2HB ALA 35 2HB ALA 35 -8.720 -6.287 12.088 241 3HB ALA 35 3HB ALA 35 -8.801 -4.683 12.854 242 H LYS 36 HN LYS 36 -7.288 -7.246 10.428 243 HA LYS 36 HA LYS 36 -5.374 -6.662 8.419 244 1HB LYS 36 2HB LYS 36 -6.076 -8.756 7.442 245 2HB LYS 36 3HB LYS 36 -5.910 -8.945 9.176 246 1HG LYS 36 2HG LYS 36 -8.048 -9.683 9.281 247 2HG LYS 36 3HG LYS 36 -8.601 -8.106 8.755 248 1HD LYS 36 2HD LYS 36 -7.618 -9.448 6.419 249 2HD LYS 36 3HD LYS 36 -8.602 -10.611 7.286 250 1HE LYS 36 2HE LYS 36 -9.922 -8.008 7.295 251 2HE LYS 36 3HE LYS 36 -9.504 -8.451 5.652 252 1HZ LYS 36 1HZ LYS 36 -11.506 -9.518 7.281 253 2HZ LYS 36 2HZ LYS 36 -11.212 -9.815 5.702 254 3HZ LYS 36 3HZ LYS 36 -10.485 -10.719 6.852 255 H ILE 37 HN ILE 37 -5.617 -5.144 6.876 256 HA ILE 37 HA ILE 37 -8.224 -4.163 6.236 257 HB ILE 37 HB ILE 37 -5.496 -3.562 5.087 258 1HG1 ILE 37 2HG ILE 37 -7.084 -1.835 6.984 259 2HG1 ILE 37 3HG ILE 37 -6.008 -3.084 7.577 260 1HG2 ILE 37 1HG ILE 37 -8.193 -2.277 4.631 261 2HG2 ILE 37 2HG ILE 37 -6.651 -1.450 4.301 262 3HG2 ILE 37 3HG ILE 37 -7.064 -2.945 3.428 263 1HD1 ILE 37 1HD ILE 37 -5.214 -0.521 7.000 264 2HD1 ILE 37 2HD ILE 37 -4.119 -1.924 6.995 265 3HD1 ILE 37 3HD ILE 37 -4.827 -1.343 5.469 266 H ALA 38 HN ALA 38 -9.045 -4.050 3.956 267 HA ALA 38 HA ALA 38 -8.596 -6.650 2.695 268 1HB ALA 38 1HB ALA 38 -10.853 -4.622 2.651 269 2HB ALA 38 2HB ALA 38 -10.765 -5.974 1.497 270 3HB ALA 38 3HB ALA 38 -10.886 -6.300 3.242 271 H ILE 39 HN ILE 39 -6.681 -6.273 1.519 272 HA ILE 39 HA ILE 39 -6.815 -4.057 -0.395 273 HB ILE 39 HB ILE 39 -4.575 -5.532 0.936 274 1HG1 ILE 39 2HG ILE 39 -5.516 -3.442 1.912 275 2HG1 ILE 39 3HG ILE 39 -3.811 -3.344 1.521 276 1HG2 ILE 39 1HG ILE 39 -3.595 -5.720 -1.096 277 2HG2 ILE 39 2HG ILE 39 -4.583 -4.429 -1.822 278 3HG2 ILE 39 3HG ILE 39 -3.193 -4.012 -0.791 279 1HD1 ILE 39 1HD ILE 39 -4.484 -2.285 -0.714 280 2HD1 ILE 39 2HD ILE 39 -6.139 -2.185 -0.067 281 3HD1 ILE 39 3HD ILE 39 -4.817 -1.301 0.731 282 H ASP 40 HN ASP 40 -6.923 -4.440 -2.573 283 HA ASP 40 HA ASP 40 -5.980 -6.652 -3.838 284 1HB ASP 40 2HB ASP 40 -8.178 -7.437 -2.352 285 2HB ASP 40 3HB ASP 40 -8.938 -7.030 -3.877 286 H LYS 41 HN LYS 41 -6.931 -6.759 -6.176 287 HA LYS 41 HA LYS 41 -6.929 -4.474 -7.471 288 1HB LYS 41 2HB LYS 41 -7.188 -6.794 -8.418 289 2HB LYS 41 3HB LYS 41 -8.913 -6.665 -8.139 290 1HG LYS 41 2HG LYS 41 -7.964 -4.263 -9.491 291 2HG LYS 41 3HG LYS 41 -7.434 -5.680 -10.375 292 1HD LYS 41 2HD LYS 41 -10.118 -6.242 -9.644 293 2HD LYS 41 3HD LYS 41 -10.128 -4.558 -10.129 294 1HE LYS 41 2HE LYS 41 -8.548 -6.336 -11.924 295 2HE LYS 41 3HE LYS 41 -10.261 -6.701 -11.877 296 1HZ LYS 41 1HZ LYS 41 -9.160 -4.771 -13.345 297 2HZ LYS 41 2HZ LYS 41 -10.735 -4.813 -12.916 298 3HZ LYS 41 3HZ LYS 41 -9.679 -3.911 -12.057 299 H LYS 42 HN LYS 42 -8.138 -2.642 -7.808 300 HA LYS 42 HA LYS 42 -9.994 -1.354 -7.835 301 1HB LYS 42 2HB LYS 42 -11.311 -3.604 -7.710 302 2HB LYS 42 3HB LYS 42 -11.497 -3.218 -6.011 303 1HG LYS 42 2HG LYS 42 -12.529 -1.043 -6.575 304 2HG LYS 42 3HG LYS 42 -12.244 -1.317 -8.282 305 1HD LYS 42 2HD LYS 42 -13.720 -3.347 -8.190 306 2HD LYS 42 3HD LYS 42 -14.023 -3.040 -6.491 307 1HE LYS 42 2HE LYS 42 -14.520 -0.607 -8.016 308 2HE LYS 42 3HE LYS 42 -15.408 -1.935 -8.736 309 1HZ LYS 42 1HZ LYS 42 -16.295 -2.435 -6.550 310 2HZ LYS 42 2HZ LYS 42 -15.488 -1.174 -5.898 311 3HZ LYS 42 3HZ LYS 42 -16.667 -0.909 -6.996 312 H SER 43 HN SER 43 -9.946 -2.999 -4.591 313 HA SER 43 HA SER 43 -10.230 -0.669 -3.180 314 1HB SER 43 2HB SER 43 -9.823 -3.438 -2.628 315 2HB SER 43 3HB SER 43 -8.607 -2.579 -1.704 316 HG SER 43 HG SER 43 -11.196 -1.447 -1.623 317 H ALA 44 HN ALA 44 -7.173 -2.632 -3.509 318 HA ALA 44 HA ALA 44 -5.487 -0.712 -2.462 319 1HB ALA 44 1HB ALA 44 -5.324 -3.257 -3.852 320 2HB ALA 44 2HB ALA 44 -4.040 -2.159 -4.411 321 3HB ALA 44 3HB ALA 44 -4.194 -2.539 -2.679 322 H HIS 45 HN HIS 45 -7.240 -0.751 -5.458 323 HA HIS 45 HA HIS 45 -5.386 1.129 -6.672 324 1HB HIS 45 2HB HIS 45 -7.673 -0.544 -7.656 325 2HB HIS 45 3HB HIS 45 -7.232 0.898 -8.548 326 HD1 HIS 45 HD1 HIS 45 -6.221 -0.245 -10.591 327 HD2 HIS 45 HD2 HIS 45 -4.513 -1.517 -6.977 328 HE1 HIS 45 HE1 HIS 45 -4.190 -1.658 -11.218 329 H LYS 46 HN LYS 46 -7.522 1.388 -4.284 330 HA LYS 46 HA LYS 46 -8.633 3.897 -5.333 331 1HB LYS 46 2HB LYS 46 -10.122 1.728 -4.628 332 2HB LYS 46 3HB LYS 46 -10.045 2.569 -3.093 333 1HG LYS 46 2HG LYS 46 -10.843 4.666 -4.192 334 2HG LYS 46 3HG LYS 46 -10.905 3.839 -5.736 335 1HD LYS 46 2HD LYS 46 -13.102 3.499 -5.131 336 2HD LYS 46 3HD LYS 46 -12.425 2.109 -4.306 337 1HE LYS 46 2HE LYS 46 -12.243 3.424 -2.199 338 2HE LYS 46 3HE LYS 46 -12.858 4.847 -3.015 339 1HZ LYS 46 1HZ LYS 46 -14.927 4.043 -2.980 340 2HZ LYS 46 2HZ LYS 46 -14.488 2.494 -3.258 341 3HZ LYS 46 3HZ LYS 46 -14.386 3.113 -1.750 342 H ASP 47 HN ASP 47 -9.644 4.412 -2.507 343 HA ASP 47 HA ASP 47 -7.858 6.135 -1.652 344 1HB ASP 47 2HB ASP 47 -10.056 4.693 -0.496 345 2HB ASP 47 3HB ASP 47 -8.774 4.695 0.699 346 H ALA 48 HN ALA 48 -7.882 2.579 -0.964 347 HA ALA 48 HA ALA 48 -6.067 2.166 0.890 348 1HB ALA 48 1HB ALA 48 -6.441 0.867 -1.812 349 2HB ALA 48 2HB ALA 48 -5.198 0.268 -0.688 350 3HB ALA 48 3HB ALA 48 -6.910 0.270 -0.202 351 H CYS 49 HN CYS 49 -4.845 2.257 -2.524 352 HA CYS 49 HA CYS 49 -2.446 3.539 -1.445 353 1HB CYS 49 2HB CYS 49 -2.847 1.807 -3.888 354 2HB CYS 49 3HB CYS 49 -1.378 2.710 -3.574 355 H LYS 50 HN LYS 50 -2.988 3.426 -4.908 356 HA LYS 50 HA LYS 50 -2.992 5.138 -6.353 357 1HB LYS 50 2HB LYS 50 -5.565 4.847 -5.030 358 2HB LYS 50 3HB LYS 50 -5.353 6.476 -5.639 359 1HG LYS 50 2HG LYS 50 -4.745 4.024 -7.344 360 2HG LYS 50 3HG LYS 50 -6.347 4.733 -7.275 361 1HD LYS 50 2HD LYS 50 -4.265 6.771 -7.724 362 2HD LYS 50 3HD LYS 50 -4.241 5.532 -8.962 363 1HE LYS 50 2HE LYS 50 -6.891 5.901 -8.946 364 2HE LYS 50 3HE LYS 50 -6.467 7.448 -8.240 365 1HZ LYS 50 1HZ LYS 50 -4.755 7.292 -10.265 366 2HZ LYS 50 2HZ LYS 50 -6.033 6.497 -10.901 367 3HZ LYS 50 3HZ LYS 50 -6.211 8.026 -10.356 368 H THR 51 HN THR 51 -4.715 7.117 -3.930 369 HA THR 51 HA THR 51 -3.388 9.419 -4.309 370 HB THR 51 HB THR 51 -5.388 8.823 -2.765 371 HG1 THR 51 HG1 THR 51 -3.134 10.474 -1.858 372 1HG2 THR 51 1HG THR 51 -4.123 7.197 -1.289 373 2HG2 THR 51 2HG THR 51 -3.082 8.544 -0.767 374 3HG2 THR 51 3HG THR 51 -4.818 8.558 -0.376 375 H CYS 52 HN CYS 52 -2.356 6.882 -1.935 376 HA CYS 52 HA CYS 52 -0.136 8.194 -1.021 377 1HB CYS 52 2HB CYS 52 -1.270 5.628 -0.778 378 2HB CYS 52 3HB CYS 52 0.389 5.366 -1.280 379 H HIS 53 HN HIS 53 2.239 7.526 -1.535 380 HA HIS 53 HA HIS 53 3.926 7.310 -2.929 381 1HB HIS 53 2HB HIS 53 1.933 6.185 -4.918 382 2HB HIS 53 3HB HIS 53 3.677 6.131 -5.080 383 HD1 HIS 53 HD1 HIS 53 1.050 3.970 -4.210 384 HD2 HIS 53 HD2 HIS 53 4.758 4.811 -2.441 385 HE1 HIS 53 HE1 HIS 53 1.600 1.973 -2.722 386 H LYS 54 HN LYS 54 1.027 8.335 -4.877 387 HA LYS 54 HA LYS 54 2.484 10.145 -6.443 388 1HB LYS 54 2HB LYS 54 -0.446 9.738 -5.853 389 2HB LYS 54 3HB LYS 54 0.096 11.079 -6.843 390 1HG LYS 54 2HG LYS 54 1.452 9.275 -8.182 391 2HG LYS 54 3HG LYS 54 0.431 8.104 -7.371 392 1HD LYS 54 2HD LYS 54 -1.604 9.261 -8.248 393 2HD LYS 54 3HD LYS 54 -0.589 10.444 -9.051 394 1HE LYS 54 2HE LYS 54 0.547 8.314 -10.162 395 2HE LYS 54 3HE LYS 54 -0.934 7.503 -9.695 396 1HZ LYS 54 1HZ LYS 54 -2.155 9.217 -10.883 397 2HZ LYS 54 2HZ LYS 54 -0.760 9.925 -11.351 398 3HZ LYS 54 3HZ LYS 54 -1.131 8.424 -11.876 399 H SER 55 HN SER 55 3.850 11.169 -4.774 400 HA SER 55 HA SER 55 2.983 13.694 -4.201 401 1HB SER 55 2HB SER 55 1.874 11.871 -2.347 402 2HB SER 55 3HB SER 55 3.217 12.604 -1.491 403 HG SER 55 HG SER 55 1.676 14.096 -1.116 404 H ASN 56 HN ASN 56 4.870 10.942 -2.766 405 HA ASN 56 HA ASN 56 7.083 12.769 -2.404 406 1HB ASN 56 2HB ASN 56 6.590 9.889 -1.496 407 2HB ASN 56 3HB ASN 56 8.112 10.714 -1.228 408 1HD2 ASN 56 1HD ASN 56 8.340 12.100 0.406 409 2HD2 ASN 56 2HD ASN 56 7.098 12.572 1.517 410 H ASN 57 HN ASN 57 6.812 9.245 -3.302 411 HA ASN 57 HA ASN 57 7.680 9.546 -5.899 412 1HB ASN 57 2HB ASN 57 9.878 10.180 -5.206 413 2HB ASN 57 3HB ASN 57 9.858 9.097 -3.827 414 1HD2 ASN 57 1HD ASN 57 10.274 6.926 -4.071 415 2HD2 ASN 57 2HD ASN 57 10.972 6.236 -5.498 416 H GLY 58 HN GLY 58 8.202 7.301 -6.856 417 1HA GLY 58 1HA GLY 58 8.459 4.916 -6.154 418 2HA GLY 58 2HA GLY 58 7.053 5.180 -5.143 419 HA PRO 59 HA PRO 59 5.087 3.777 -8.849 420 1HB PRO 59 2HB PRO 59 2.795 2.875 -7.665 421 2HB PRO 59 3HB PRO 59 4.228 1.884 -7.860 422 1HG PRO 59 2HG PRO 59 3.187 3.176 -5.413 423 2HG PRO 59 3HG PRO 59 4.341 1.864 -5.556 424 1HD PRO 59 2HD PRO 59 4.928 4.609 -4.964 425 2HD PRO 59 3HD PRO 59 6.088 3.322 -5.222 426 H THR 60 HN THR 60 4.564 5.376 -10.205 427 HA THR 60 HA THR 60 2.227 6.940 -9.349 428 HB THR 60 HB THR 60 4.509 8.129 -9.048 429 HG1 THR 60 HG1 THR 60 2.436 8.970 -10.946 430 1HG2 THR 60 1HG THR 60 4.280 8.209 -12.103 431 2HG2 THR 60 2HG THR 60 5.455 9.110 -11.116 432 3HG2 THR 60 3HG THR 60 5.549 7.335 -11.211 433 H LYS 61 HN LYS 61 4.314 5.772 -12.043 434 HA LYS 61 HA LYS 61 2.568 6.556 -14.079 435 1HB LYS 61 2HB LYS 61 4.536 4.249 -14.083 436 2HB LYS 61 3HB LYS 61 3.873 5.065 -15.486 437 1HG LYS 61 2HG LYS 61 5.266 6.745 -13.402 438 2HG LYS 61 3HG LYS 61 6.258 5.753 -14.451 439 1HD LYS 61 2HD LYS 61 5.865 7.072 -16.280 440 2HD LYS 61 3HD LYS 61 4.156 7.223 -15.925 441 1HE LYS 61 2HE LYS 61 4.497 9.310 -15.109 442 2HE LYS 61 3HE LYS 61 5.560 8.665 -13.875 443 1HZ LYS 61 1HZ LYS 61 6.922 10.047 -15.044 444 2HZ LYS 61 2HZ LYS 61 7.251 8.631 -15.787 445 3HZ LYS 61 3HZ LYS 61 6.256 9.714 -16.498 446 H CYS 62 HN CYS 62 2.981 3.261 -14.631 447 HA CYS 62 HA CYS 62 0.176 2.820 -13.961 448 1HB CYS 62 2HB CYS 62 0.587 2.509 -16.273 449 2HB CYS 62 3HB CYS 62 2.025 1.552 -15.977 450 H GLY 63 HN GLY 63 3.046 0.629 -14.378 451 1HA GLY 63 1HA GLY 63 2.261 -1.198 -12.418 452 2HA GLY 63 2HA GLY 63 3.871 -1.013 -13.086 453 H GLY 64 HN GLY 64 5.360 0.596 -12.110 454 1HA GLY 64 1HA GLY 64 6.318 1.651 -10.372 455 2HA GLY 64 2HA GLY 64 4.716 2.027 -9.769 456 H CYS 65 HN CYS 65 3.501 -0.185 -8.968 457 HA CYS 65 HA CYS 65 5.225 -1.124 -6.863 458 1HB CYS 65 2HB CYS 65 2.479 -2.196 -7.112 459 2HB CYS 65 3HB CYS 65 3.350 -1.627 -5.702 460 H HIS 66 HN HIS 66 3.119 -2.515 -9.489 461 HA HIS 66 HA HIS 66 3.990 -5.140 -9.109 462 1HB HIS 66 2HB HIS 66 2.822 -3.809 -11.570 463 2HB HIS 66 3HB HIS 66 2.976 -5.538 -11.334 464 HD1 HIS 66 HD1 HIS 66 1.249 -6.712 -9.819 465 HD2 HIS 66 HD2 HIS 66 0.817 -2.542 -9.951 466 HE1 HIS 66 HE1 HIS 66 -0.991 -6.189 -8.713 467 H ILE 67 HN ILE 67 5.786 -6.244 -9.778 468 HA ILE 67 HA ILE 67 7.816 -4.674 -11.121 469 HB ILE 67 HB ILE 67 7.944 -7.462 -9.968 470 1HG1 ILE 67 2HG ILE 67 7.299 -5.555 -8.372 471 2HG1 ILE 67 3HG ILE 67 8.642 -6.590 -7.927 472 1HG2 ILE 67 1HG ILE 67 10.192 -5.539 -10.612 473 2HG2 ILE 67 2HG ILE 67 10.326 -7.223 -10.051 474 3HG2 ILE 67 3HG ILE 67 9.674 -6.874 -11.671 475 1HD1 ILE 67 1HD ILE 67 9.019 -4.060 -7.660 476 2HD1 ILE 67 2HD ILE 67 10.272 -4.943 -8.564 477 3HD1 ILE 67 3HD ILE 67 9.057 -3.978 -9.438 478 H LYS 68 HN LYS 68 6.532 -4.539 -13.158 479 HA LYS 68 HA LYS 68 5.888 -6.855 -14.599 480 1HB LYS 68 2HB LYS 68 5.562 -5.335 -16.473 481 2HB LYS 68 3HB LYS 68 4.856 -4.677 -15.010 482 1HG LYS 68 2HG LYS 68 6.257 -2.875 -15.008 483 2HG LYS 68 3HG LYS 68 7.670 -3.863 -15.320 484 1HD LYS 68 2HD LYS 68 6.803 -4.043 -17.766 485 2HD LYS 68 3HD LYS 68 5.696 -2.750 -17.353 486 1HE LYS 68 2HE LYS 68 7.565 -1.259 -16.765 487 2HE LYS 68 3HE LYS 68 8.721 -2.558 -16.976 488 1HZ LYS 68 1HZ LYS 68 7.952 -2.680 -19.306 489 2HZ LYS 68 2HZ LYS 68 7.065 -1.331 -19.064 490 3HZ LYS 68 3HZ LYS 68 8.691 -1.273 -18.930 491 HHA HEC 98 HGM HEC 98 -3.724 -5.632 8.438 492 HHB HEC 98 HDM HEC 98 -1.385 -2.814 13.493 493 HHC HEC 98 HAM HEC 98 1.492 1.363 9.699 494 HHD HEC 98 HBM HEC 98 -1.304 -1.301 4.810 495 1HMA HEC 98 1HM HEC 98 -2.668 -4.571 14.199 496 2HMA HEC 98 2HM HEC 98 -3.315 -6.126 13.626 497 3HMA HEC 98 3HM HEC 98 -1.557 -5.887 13.751 498 1HAA HEC 98 1HA HEC 98 -3.805 -7.279 11.780 499 2HAA HEC 98 2HA HEC 98 -4.534 -6.682 10.270 500 1HBA HEC 98 3HB HEC 98 -3.340 -8.437 9.312 501 2HBA HEC 98 4HB HEC 98 -1.986 -7.284 9.385 502 1HMB HEC 98 1HM HEC 98 0.571 -1.133 14.919 503 2HMB HEC 98 2HM HEC 98 -0.185 0.470 14.767 504 3HMB HEC 98 3HM HEC 98 -1.187 -0.998 14.674 505 HAB HEC 98 HT2 HEC 98 1.914 1.934 11.582 506 1HBB HEC 98 1HT HEC 98 3.708 1.825 12.925 507 2HBB HEC 98 2HT HEC 98 2.943 0.681 14.054 508 3HBB HEC 98 3HT HEC 98 3.405 0.146 12.420 509 1HMC HEC 98 1HM HEC 98 2.826 2.062 7.128 510 2HMC HEC 98 2HM HEC 98 1.507 3.129 6.589 511 3HMC HEC 98 3HM HEC 98 1.754 2.826 8.325 512 HAC HEC 98 HT4 HEC 98 -1.076 1.460 4.611 513 1HBC HEC 98 1HT HEC 98 1.405 0.829 3.191 514 2HBC HEC 98 2HT HEC 98 0.762 -0.585 4.061 515 3HBC HEC 98 3HT HEC 98 -0.257 0.271 2.880 516 1HMD HEC 98 1HM HEC 98 -3.396 -2.221 3.557 517 2HMD HEC 98 2HM HEC 98 -1.854 -3.066 3.281 518 3HMD HEC 98 3HM HEC 98 -3.374 -3.989 3.354 519 1HAD HEC 98 1HA HEC 98 -4.112 -6.249 6.296 520 2HAD HEC 98 2HA HEC 98 -4.516 -5.368 4.804 521 1HBD HEC 98 3HB HEC 98 -3.138 -7.529 4.634 522 2HBD HEC 98 4HB HEC 98 -2.609 -6.107 3.704 523 HHA HEC 128 HGM HEC 128 8.207 3.536 -1.078 524 HHB HEC 128 HDM HEC 128 4.326 -0.845 -3.252 525 HHC HEC 128 HAM HEC 128 -0.193 1.418 0.564 526 HHD HEC 128 HBM HEC 128 3.675 5.995 2.269 527 1HMA HEC 128 1HM HEC 128 6.851 -1.839 -3.087 528 2HMA HEC 128 2HM HEC 128 6.593 -0.850 -4.543 529 3HMA HEC 128 3HM HEC 128 8.202 -0.915 -3.786 530 1HAA HEC 128 1HA HEC 128 9.310 1.571 -3.364 531 2HAA HEC 128 2HA HEC 128 9.435 2.191 -1.701 532 1HBA HEC 128 3HB HEC 128 10.406 0.238 -0.972 533 2HBA HEC 128 4HB HEC 128 9.116 -0.741 -1.709 534 1HMB HEC 128 1HM HEC 128 1.149 -1.166 -4.243 535 2HMB HEC 128 2HM HEC 128 2.738 -1.844 -3.821 536 3HMB HEC 128 3HM HEC 128 1.261 -2.524 -3.098 537 HAB HEC 128 HT2 HEC 128 -1.154 0.100 -0.880 538 1HBB HEC 128 1HT HEC 128 -1.615 -2.278 -0.132 539 2HBB HEC 128 2HT HEC 128 0.148 -2.345 0.099 540 3HBB HEC 128 3HT HEC 128 -0.812 -1.099 0.932 541 1HMC HEC 128 1HM HEC 128 -1.620 4.204 2.124 542 2HMC HEC 128 2HM HEC 128 -1.473 2.548 1.487 543 3HMC HEC 128 3HM HEC 128 -1.061 2.888 3.183 544 HAC HEC 128 HT4 HEC 128 1.576 6.275 3.451 545 1HBC HEC 128 1HT HEC 128 -0.616 4.968 4.049 546 2HBC HEC 128 2HT HEC 128 -0.578 6.736 4.252 547 3HBC HEC 128 3HT HEC 128 -1.374 6.020 2.830 548 1HMD HEC 128 1HM HEC 128 6.119 6.928 3.252 549 2HMD HEC 128 2HM HEC 128 6.827 7.810 1.877 550 3HMD HEC 128 3HM HEC 128 5.060 7.733 2.069 551 1HAD HEC 128 1HA HEC 128 9.133 5.080 0.294 552 2HAD HEC 128 2HA HEC 128 8.577 6.752 0.546 553 1HBD HEC 128 3HB HEC 128 8.171 5.391 2.982 554 2HBD HEC 128 4HB HEC 128 9.791 4.940 2.399 555 HHA HEC 158 HGM HEC 158 -3.544 -6.745 -7.141 556 HHB HEC 158 HDM HEC 158 -3.054 -5.319 -13.199 557 HHC HEC 158 HAM HEC 158 -0.988 0.441 -11.565 558 HHD HEC 158 HBM HEC 158 -1.104 -1.321 -5.590 559 1HMA HEC 158 1HM HEC 158 -3.694 -7.751 -12.902 560 2HMA HEC 158 2HM HEC 158 -4.944 -8.461 -11.854 561 3HMA HEC 158 3HM HEC 158 -5.277 -6.955 -12.742 562 1HAA HEC 158 1HA HEC 158 -4.738 -8.004 -7.940 563 2HAA HEC 158 2HA HEC 158 -5.870 -8.207 -9.297 564 1HBA HEC 158 3HB HEC 158 -3.550 -9.254 -10.397 565 2HBA HEC 158 4HB HEC 158 -3.342 -9.704 -8.687 566 1HMB HEC 158 1HM HEC 158 -1.666 -4.632 -14.863 567 2HMB HEC 158 2HM HEC 158 -2.983 -3.573 -15.420 568 3HMB HEC 158 3HM HEC 158 -1.287 -3.078 -15.643 569 HAB HEC 158 HT2 HEC 158 -0.409 0.035 -13.785 570 1HBB HEC 158 1HT HEC 158 -2.713 0.841 -13.182 571 2HBB HEC 158 2HT HEC 158 -1.772 1.645 -14.461 572 3HBB HEC 158 3HT HEC 158 -3.092 0.533 -14.894 573 1HMC HEC 158 1HM HEC 158 -0.743 2.265 -10.612 574 2HMC HEC 158 2HM HEC 158 -0.257 2.882 -9.015 575 3HMC HEC 158 3HM HEC 158 0.918 2.011 -10.027 576 HAC HEC 158 HT4 HEC 158 0.346 0.322 -5.791 577 1HBC HEC 158 1HT HEC 158 0.009 2.607 -5.118 578 2HBC HEC 158 2HT HEC 158 -0.370 3.110 -6.782 579 3HBC HEC 158 3HT HEC 158 -1.501 2.066 -5.890 580 1HMD HEC 158 1HM HEC 158 -1.657 -3.894 -3.014 581 2HMD HEC 158 2HM HEC 158 -0.605 -2.655 -3.740 582 3HMD HEC 158 3HM HEC 158 -2.316 -2.289 -3.411 583 1HAD HEC 158 1HA HEC 158 -3.061 -5.307 -3.397 584 2HAD HEC 158 2HA HEC 158 -4.386 -5.703 -4.515 585 1HBD HEC 158 3HB HEC 158 -2.147 -7.150 -5.410 586 2HBD HEC 158 4HB HEC 158 -2.189 -7.325 -3.640 Start of MODEL 16 1 H ALA 1 HN ALA 1 1.240 -4.622 4.514 2 HA ALA 1 HA ALA 1 -0.220 -5.915 6.657 3 1HB ALA 1 1HB ALA 1 -0.807 -6.232 4.246 4 2HB ALA 1 2HB ALA 1 0.784 -6.991 3.991 5 3HB ALA 1 3HB ALA 1 -0.405 -7.758 5.070 6 H ASP 2 HN ASP 2 1.693 -5.450 8.158 7 HA ASP 2 HA ASP 2 3.561 -6.007 9.148 8 1HB ASP 2 2HB ASP 2 1.965 -8.414 8.713 9 2HB ASP 2 3HB ASP 2 3.663 -8.837 8.790 10 H VAL 3 HN VAL 3 3.882 -5.400 6.282 11 HA VAL 3 HA VAL 3 5.436 -5.458 4.712 12 HB VAL 3 HB VAL 3 6.874 -6.813 6.964 13 1HG1 VAL 3 1HG VAL 3 8.098 -7.956 5.436 14 2HG1 VAL 3 2HG VAL 3 7.626 -6.883 4.095 15 3HG1 VAL 3 3HG VAL 3 8.910 -6.386 5.224 16 1HG2 VAL 3 1HG VAL 3 6.680 -4.441 7.167 17 2HG2 VAL 3 2HG VAL 3 8.355 -4.785 6.673 18 3HG2 VAL 3 3HG VAL 3 7.179 -4.189 5.477 19 H VAL 4 HN VAL 4 3.746 -6.716 3.551 20 HA VAL 4 HA VAL 4 4.378 -9.564 3.365 21 HB VAL 4 HB VAL 4 2.002 -7.851 2.730 22 1HG1 VAL 4 1HG VAL 4 2.375 -9.150 0.689 23 2HG1 VAL 4 2HG VAL 4 2.478 -10.649 1.646 24 3HG1 VAL 4 3HG VAL 4 0.945 -9.748 1.564 25 1HG2 VAL 4 1HG VAL 4 2.689 -9.483 4.863 26 2HG2 VAL 4 2HG VAL 4 1.053 -8.906 4.465 27 3HG2 VAL 4 3HG VAL 4 1.594 -10.504 3.899 28 H THR 5 HN THR 5 4.314 -10.514 1.089 29 HA THR 5 HA THR 5 5.147 -8.622 -0.965 30 HB THR 5 HB THR 5 6.858 -10.860 0.218 31 HG1 THR 5 HG1 THR 5 7.839 -9.010 0.932 32 1HG2 THR 5 1HG THR 5 6.651 -10.433 -2.522 33 2HG2 THR 5 2HG THR 5 7.913 -9.265 -2.062 34 3HG2 THR 5 3HG THR 5 8.128 -10.994 -1.700 35 H TYR 6 HN TYR 6 3.284 -9.023 -2.134 36 HA TYR 6 HA TYR 6 2.318 -11.644 -2.564 37 1HB TYR 6 2HB TYR 6 2.020 -8.838 -3.746 38 2HB TYR 6 3HB TYR 6 1.226 -10.177 -4.550 39 HD1 TYR 6 HD1 TYR 6 1.505 -8.541 -1.193 40 HD2 TYR 6 HD2 TYR 6 -0.913 -10.842 -3.870 41 HE1 TYR 6 HE1 TYR 6 -0.466 -8.339 0.401 42 HE2 TYR 6 HE2 TYR 6 -2.874 -10.633 -2.266 43 HH TYR 6 HH TYR 6 -2.721 -10.059 0.701 44 H GLU 7 HN GLU 7 2.123 -12.688 -4.747 45 HA GLU 7 HA GLU 7 4.332 -12.007 -6.492 46 1HB GLU 7 2HB GLU 7 4.032 -14.531 -4.923 47 2HB GLU 7 3HB GLU 7 4.478 -14.737 -6.605 48 1HG GLU 7 2HG GLU 7 6.323 -12.986 -6.216 49 2HG GLU 7 3HG GLU 7 5.951 -13.086 -4.506 50 H ASN 8 HN ASN 8 1.619 -11.375 -6.877 51 HA ASN 8 HA ASN 8 -0.001 -13.171 -8.012 52 1HB ASN 8 2HB ASN 8 -0.782 -11.216 -9.503 53 2HB ASN 8 3HB ASN 8 -0.747 -10.885 -7.783 54 1HD2 ASN 8 1HD ASN 8 0.372 -9.226 -7.051 55 2HD2 ASN 8 2HD ASN 8 1.511 -8.273 -7.942 56 H LYS 9 HN LYS 9 -0.544 -13.129 -10.591 57 HA LYS 9 HA LYS 9 1.919 -13.973 -11.880 58 1HB LYS 9 2HB LYS 9 -1.015 -14.419 -12.385 59 2HB LYS 9 3HB LYS 9 0.151 -14.701 -13.662 60 1HG LYS 9 2HG LYS 9 1.430 -16.235 -12.137 61 2HG LYS 9 3HG LYS 9 0.235 -15.971 -10.882 62 1HD LYS 9 2HD LYS 9 -1.473 -16.722 -12.810 63 2HD LYS 9 3HD LYS 9 -0.045 -17.482 -13.482 64 1HE LYS 9 2HE LYS 9 0.062 -18.167 -10.750 65 2HE LYS 9 3HE LYS 9 -1.645 -18.268 -11.137 66 1HZ LYS 9 1HZ LYS 9 -1.250 -19.856 -12.727 67 2HZ LYS 9 2HZ LYS 9 0.325 -19.474 -12.919 68 3HZ LYS 9 3HZ LYS 9 -0.164 -20.269 -11.579 69 H LYS 10 HN LYS 10 1.016 -11.063 -11.285 70 HA LYS 10 HA LYS 10 1.563 -10.138 -13.999 71 1HB LYS 10 2HB LYS 10 -0.901 -9.650 -12.444 72 2HB LYS 10 3HB LYS 10 -0.162 -8.208 -13.111 73 1HG LYS 10 2HG LYS 10 -0.082 -10.300 -15.119 74 2HG LYS 10 3HG LYS 10 -1.713 -10.196 -14.486 75 1HD LYS 10 2HD LYS 10 -1.619 -8.632 -16.307 76 2HD LYS 10 3HD LYS 10 -1.597 -7.663 -14.846 77 1HE LYS 10 2HE LYS 10 0.398 -6.757 -15.434 78 2HE LYS 10 3HE LYS 10 1.136 -8.346 -15.493 79 1HZ LYS 10 1HZ LYS 10 1.282 -7.942 -17.652 80 2HZ LYS 10 2HZ LYS 10 -0.315 -8.274 -17.745 81 3HZ LYS 10 3HZ LYS 10 0.192 -6.726 -17.632 82 H GLY 11 HN GLY 11 3.574 -10.465 -12.240 83 1HA GLY 11 1HA GLY 11 5.330 -8.996 -11.764 84 2HA GLY 11 2HA GLY 11 4.189 -7.695 -11.491 85 H ASN 12 HN ASN 12 4.428 -7.058 -9.381 86 HA ASN 12 HA ASN 12 3.554 -8.757 -7.364 87 1HB ASN 12 2HB ASN 12 5.752 -8.797 -6.035 88 2HB ASN 12 3HB ASN 12 5.713 -9.858 -7.430 89 1HD2 ASN 12 1HD ASN 12 7.991 -9.814 -7.428 90 2HD2 ASN 12 2HD ASN 12 8.884 -8.495 -8.107 91 H VAL 13 HN VAL 13 3.249 -7.493 -5.382 92 HA VAL 13 HA VAL 13 4.234 -4.736 -5.518 93 HB VAL 13 HB VAL 13 2.002 -4.650 -6.353 94 1HG1 VAL 13 1HG VAL 13 0.424 -6.128 -5.808 95 2HG1 VAL 13 2HG VAL 13 1.550 -6.869 -4.647 96 3HG1 VAL 13 3HG VAL 13 0.447 -5.577 -4.116 97 1HG2 VAL 13 1HG VAL 13 2.829 -3.027 -4.494 98 2HG2 VAL 13 2HG VAL 13 1.106 -3.026 -4.940 99 3HG2 VAL 13 3HG VAL 13 1.643 -3.866 -3.465 100 H THR 14 HN THR 14 5.841 -5.164 -3.962 101 HA THR 14 HA THR 14 5.268 -6.586 -1.575 102 HB THR 14 HB THR 14 7.518 -4.826 -2.631 103 HG1 THR 14 HG1 THR 14 8.493 -7.012 -2.441 104 1HG2 THR 14 1HG THR 14 7.143 -4.800 0.029 105 2HG2 THR 14 2HG THR 14 7.789 -6.454 -0.094 106 3HG2 THR 14 3HG THR 14 8.766 -5.073 -0.651 107 H PHE 15 HN PHE 15 4.437 -5.973 0.337 108 HA PHE 15 HA PHE 15 3.609 -3.184 0.511 109 1HB PHE 15 2HB PHE 15 2.951 -5.761 2.061 110 2HB PHE 15 3HB PHE 15 2.216 -4.213 2.424 111 HD1 PHE 15 HD1 PHE 15 0.113 -3.858 1.567 112 HD2 PHE 15 HD2 PHE 15 2.767 -6.385 -0.572 113 HE1 PHE 15 HE1 PHE 15 -1.685 -4.316 -0.121 114 HE2 PHE 15 HE2 PHE 15 0.968 -6.844 -2.261 115 HZ PHE 15 HZ PHE 15 -1.236 -5.804 -2.016 116 H ASP 16 HN ASP 16 3.651 -2.201 2.795 117 HA ASP 16 HA ASP 16 5.934 -3.183 4.289 118 1HB ASP 16 2HB ASP 16 5.518 -0.368 3.207 119 2HB ASP 16 3HB ASP 16 6.538 -0.659 4.603 120 H HIS 17 HN HIS 17 5.297 -3.325 6.448 121 HA HIS 17 HA HIS 17 3.274 -1.415 7.353 122 1HB HIS 17 2HB HIS 17 2.236 -3.612 6.876 123 2HB HIS 17 3HB HIS 17 3.343 -4.377 7.999 124 HD1 HIS 17 HD1 HIS 17 3.209 -2.478 10.409 125 HD2 HIS 17 HD2 HIS 17 -0.154 -3.667 8.202 126 HE1 HIS 17 HE1 HIS 17 1.199 -2.181 11.954 127 H LYS 18 HN LYS 18 5.462 -4.048 8.597 128 HA LYS 18 HA LYS 18 5.883 -2.737 11.047 129 1HB LYS 18 2HB LYS 18 6.115 -5.135 10.833 130 2HB LYS 18 3HB LYS 18 7.388 -4.960 9.643 131 1HG LYS 18 2HG LYS 18 8.771 -5.173 11.462 132 2HG LYS 18 3HG LYS 18 8.462 -3.459 11.655 133 1HD LYS 18 2HD LYS 18 6.495 -5.386 12.887 134 2HD LYS 18 3HD LYS 18 8.057 -5.209 13.663 135 1HE LYS 18 2HE LYS 18 7.361 -2.557 13.185 136 2HE LYS 18 3HE LYS 18 5.799 -3.284 13.506 137 1HZ LYS 18 1HZ LYS 18 6.451 -3.908 15.597 138 2HZ LYS 18 2HZ LYS 18 8.050 -3.865 15.266 139 3HZ LYS 18 3HZ LYS 18 7.215 -2.473 15.445 140 H ALA 19 HN ALA 19 7.568 -2.711 7.883 141 HA ALA 19 HA ALA 19 9.741 -1.148 8.921 142 1HB ALA 19 1HB ALA 19 10.294 -2.621 7.154 143 2HB ALA 19 2HB ALA 19 8.876 -2.138 6.191 144 3HB ALA 19 3HB ALA 19 10.242 -1.015 6.388 145 H HIS 20 HN HIS 20 6.780 -0.629 6.914 146 HA HIS 20 HA HIS 20 7.291 2.075 6.427 147 1HB HIS 20 2HB HIS 20 5.089 0.165 6.057 148 2HB HIS 20 3HB HIS 20 4.544 1.807 6.332 149 HD1 HIS 20 HD1 HIS 20 7.809 1.383 4.546 150 HD2 HIS 20 HD2 HIS 20 3.765 1.946 3.585 151 HE1 HIS 20 HE1 HIS 20 7.742 2.011 2.073 152 H ALA 21 HN ALA 21 5.415 0.352 8.990 153 HA ALA 21 HA ALA 21 4.216 2.404 10.255 154 1HB ALA 21 1HB ALA 21 3.865 0.228 11.088 155 2HB ALA 21 2HB ALA 21 5.608 -0.086 11.267 156 3HB ALA 21 3HB ALA 21 4.784 1.026 12.387 157 H GLU 22 HN GLU 22 7.619 1.286 10.905 158 HA GLU 22 HA GLU 22 8.306 3.112 12.735 159 1HB GLU 22 2HB GLU 22 10.532 2.554 12.269 160 2HB GLU 22 3HB GLU 22 9.670 1.189 11.585 161 1HG GLU 22 2HG GLU 22 10.837 1.645 9.677 162 2HG GLU 22 3HG GLU 22 9.671 2.930 9.440 163 H LYS 23 HN LYS 23 7.598 3.669 9.336 164 HA LYS 23 HA LYS 23 8.635 6.402 9.581 165 1HB LYS 23 2HB LYS 23 9.667 5.439 7.723 166 2HB LYS 23 3HB LYS 23 8.235 4.548 7.248 167 1HG LYS 23 2HG LYS 23 7.455 6.281 5.995 168 2HG LYS 23 3HG LYS 23 7.688 7.427 7.300 169 1HD LYS 23 2HD LYS 23 10.205 7.379 6.721 170 2HD LYS 23 3HD LYS 23 9.766 6.494 5.274 171 1HE LYS 23 2HE LYS 23 8.697 8.328 4.294 172 2HE LYS 23 3HE LYS 23 8.244 9.030 5.835 173 1HZ LYS 23 1HZ LYS 23 10.770 9.312 6.092 174 2HZ LYS 23 2HZ LYS 23 10.807 9.164 4.465 175 3HZ LYS 23 3HZ LYS 23 9.942 10.365 5.157 176 H LEU 24 HN LEU 24 5.988 4.878 7.632 177 HA LEU 24 HA LEU 24 4.317 6.915 7.424 178 1HB LEU 24 2HB LEU 24 3.744 4.017 7.985 179 2HB LEU 24 3HB LEU 24 2.447 5.163 7.711 180 HG LEU 24 HG LEU 24 3.426 5.713 5.491 181 1HD1 LEU 24 1HD LEU 24 5.416 3.579 6.273 182 2HD1 LEU 24 2HD LEU 24 5.104 4.031 4.580 183 3HD1 LEU 24 3HD LEU 24 5.724 5.245 5.725 184 1HD2 LEU 24 1HD LEU 24 2.849 2.761 5.866 185 2HD2 LEU 24 2HD LEU 24 1.620 4.045 5.767 186 3HD2 LEU 24 3HD LEU 24 2.671 3.710 4.370 187 H GLY 25 HN GLY 25 3.330 4.610 9.997 188 1HA GLY 25 1HA GLY 25 3.503 5.405 12.337 189 2HA GLY 25 2HA GLY 25 2.902 6.947 11.762 190 H CYS 26 HN CYS 26 1.781 3.802 10.467 191 HA CYS 26 HA CYS 26 -0.158 2.776 10.531 192 1HB CYS 26 2HB CYS 26 -1.276 4.054 12.933 193 2HB CYS 26 3HB CYS 26 -1.112 2.358 12.520 194 H ASP 27 HN ASP 27 -1.122 5.860 12.196 195 HA ASP 27 HA ASP 27 -3.413 6.364 11.093 196 1HB ASP 27 2HB ASP 27 -1.073 8.193 11.639 197 2HB ASP 27 3HB ASP 27 -2.487 8.882 10.868 198 H ALA 28 HN ALA 28 -0.211 6.815 9.483 199 HA ALA 28 HA ALA 28 -0.782 8.187 7.260 200 1HB ALA 28 1HB ALA 28 0.730 5.641 6.848 201 2HB ALA 28 2HB ALA 28 1.182 7.317 6.453 202 3HB ALA 28 3HB ALA 28 1.317 6.731 8.128 203 H CYS 29 HN CYS 29 -1.730 4.797 7.980 204 HA CYS 29 HA CYS 29 -3.231 4.817 5.465 205 1HB CYS 29 2HB CYS 29 -2.742 2.301 6.999 206 2HB CYS 29 3HB CYS 29 -2.991 2.537 5.280 207 H HIS 30 HN HIS 30 -3.319 3.475 8.855 208 HA HIS 30 HA HIS 30 -6.195 3.489 8.766 209 1HB HIS 30 2HB HIS 30 -4.539 2.841 11.192 210 2HB HIS 30 3HB HIS 30 -6.119 2.232 10.740 211 HD1 HIS 30 HD1 HIS 30 -6.171 0.455 8.711 212 HD2 HIS 30 HD2 HIS 30 -2.388 1.334 10.297 213 HE1 HIS 30 HE1 HIS 30 -4.610 -1.397 7.906 214 H GLU 31 HN GLU 31 -6.610 4.100 11.597 215 HA GLU 31 HA GLU 31 -5.543 6.433 12.441 216 1HB GLU 31 2HB GLU 31 -6.251 7.641 10.500 217 2HB GLU 31 3HB GLU 31 -7.833 6.887 10.499 218 1HG GLU 31 2HG GLU 31 -7.467 8.169 13.062 219 2HG GLU 31 3HG GLU 31 -7.014 9.319 11.818 220 H GLY 32 HN GLY 32 -6.088 6.334 14.574 221 1HA GLY 32 1HA GLY 32 -7.472 6.319 16.390 222 2HA GLY 32 2HA GLY 32 -8.855 6.026 15.355 223 H THR 33 HN THR 33 -8.506 3.719 14.055 224 HA THR 33 HA THR 33 -7.386 1.720 15.831 225 HB THR 33 HB THR 33 -10.376 1.973 15.218 226 HG1 THR 33 HG1 THR 33 -8.721 1.744 17.633 227 1HG2 THR 33 1HG THR 33 -9.902 -0.065 17.119 228 2HG2 THR 33 2HG THR 33 -10.458 -0.306 15.445 229 3HG2 THR 33 3HG THR 33 -8.722 -0.387 15.827 230 HA PRO 34 HA PRO 34 -6.643 0.423 11.723 231 1HB PRO 34 2HB PRO 34 -4.510 -1.187 12.296 232 2HB PRO 34 3HB PRO 34 -4.354 0.525 11.960 233 1HG PRO 34 2HG PRO 34 -4.182 -0.878 14.557 234 2HG PRO 34 3HG PRO 34 -3.620 0.728 14.137 235 1HD PRO 34 2HD PRO 34 -5.981 0.070 15.628 236 2HD PRO 34 3HD PRO 34 -5.480 1.668 15.109 237 H ALA 35 HN ALA 35 -6.719 -1.563 10.449 238 HA ALA 35 HA ALA 35 -7.232 -4.001 11.679 239 1HB ALA 35 1HB ALA 35 -9.383 -3.895 12.316 240 2HB ALA 35 2HB ALA 35 -9.431 -2.178 11.850 241 3HB ALA 35 3HB ALA 35 -9.860 -3.435 10.665 242 H LYS 36 HN LYS 36 -8.066 -5.626 10.034 243 HA LYS 36 HA LYS 36 -6.672 -5.471 7.710 244 1HB LYS 36 2HB LYS 36 -7.351 -7.589 7.793 245 2HB LYS 36 3HB LYS 36 -8.661 -7.195 8.887 246 1HG LYS 36 2HG LYS 36 -10.151 -6.640 7.052 247 2HG LYS 36 3HG LYS 36 -8.840 -6.668 5.889 248 1HD LYS 36 2HD LYS 36 -9.432 -9.161 7.504 249 2HD LYS 36 3HD LYS 36 -10.459 -8.764 6.140 250 1HE LYS 36 2HE LYS 36 -8.094 -8.437 4.898 251 2HE LYS 36 3HE LYS 36 -7.535 -9.513 6.162 252 1HZ LYS 36 1HZ LYS 36 -9.935 -10.482 5.113 253 2HZ LYS 36 2HZ LYS 36 -8.903 -10.194 3.881 254 3HZ LYS 36 3HZ LYS 36 -8.461 -11.185 5.101 255 H ILE 37 HN ILE 37 -6.803 -4.328 5.851 256 HA ILE 37 HA ILE 37 -9.213 -2.729 5.479 257 HB ILE 37 HB ILE 37 -6.426 -2.557 4.342 258 1HG1 ILE 37 2HG ILE 37 -7.841 -0.463 5.976 259 2HG1 ILE 37 3HG ILE 37 -7.052 -1.815 6.764 260 1HG2 ILE 37 1HG ILE 37 -8.965 -1.314 3.438 261 2HG2 ILE 37 2HG ILE 37 -7.546 -0.246 3.557 262 3HG2 ILE 37 3HG ILE 37 -7.482 -1.701 2.534 263 1HD1 ILE 37 1HD ILE 37 -5.653 0.343 6.372 264 2HD1 ILE 37 2HD ILE 37 -4.902 -1.213 5.941 265 3HD1 ILE 37 3HD ILE 37 -5.588 -0.173 4.670 266 H ALA 38 HN ALA 38 -7.861 -5.702 4.524 267 HA ALA 38 HA ALA 38 -8.550 -7.201 3.038 268 1HB ALA 38 1HB ALA 38 -10.697 -7.094 2.229 269 2HB ALA 38 2HB ALA 38 -10.808 -5.795 3.441 270 3HB ALA 38 3HB ALA 38 -10.542 -5.395 1.726 271 H ILE 39 HN ILE 39 -6.714 -7.385 1.791 272 HA ILE 39 HA ILE 39 -6.530 -5.506 -0.461 273 HB ILE 39 HB ILE 39 -4.351 -6.878 1.112 274 1HG1 ILE 39 2HG ILE 39 -5.427 -4.829 2.101 275 2HG1 ILE 39 3HG ILE 39 -3.699 -4.717 1.830 276 1HG2 ILE 39 1HG ILE 39 -3.502 -4.947 -0.908 277 2HG2 ILE 39 2HG ILE 39 -2.884 -6.575 -0.539 278 3HG2 ILE 39 3HG ILE 39 -4.295 -6.378 -1.608 279 1HD1 ILE 39 1HD ILE 39 -5.536 -2.849 0.974 280 2HD1 ILE 39 2HD ILE 39 -3.920 -3.067 0.261 281 3HD1 ILE 39 3HD ILE 39 -5.337 -3.842 -0.490 282 H ASP 40 HN ASP 40 -6.631 -6.355 -2.490 283 HA ASP 40 HA ASP 40 -5.871 -9.061 -2.907 284 1HB ASP 40 2HB ASP 40 -8.092 -9.607 -2.233 285 2HB ASP 40 3HB ASP 40 -8.770 -8.176 -2.985 286 H LYS 41 HN LYS 41 -8.313 -6.868 -4.488 287 HA LYS 41 HA LYS 41 -6.538 -5.724 -6.314 288 1HB LYS 41 2HB LYS 41 -6.253 -7.903 -7.280 289 2HB LYS 41 3HB LYS 41 -7.980 -8.195 -7.307 290 1HG LYS 41 2HG LYS 41 -7.868 -5.843 -8.726 291 2HG LYS 41 3HG LYS 41 -6.307 -6.526 -9.139 292 1HD LYS 41 2HD LYS 41 -7.277 -7.997 -10.565 293 2HD LYS 41 3HD LYS 41 -8.279 -8.639 -9.280 294 1HE LYS 41 2HE LYS 41 -9.996 -7.804 -10.564 295 2HE LYS 41 3HE LYS 41 -9.616 -6.306 -9.737 296 1HZ LYS 41 1HZ LYS 41 -9.294 -6.944 -12.453 297 2HZ LYS 41 2HZ LYS 41 -9.184 -5.489 -11.720 298 3HZ LYS 41 3HZ LYS 41 -7.869 -6.450 -11.826 299 H LYS 42 HN LYS 42 -7.894 -4.053 -5.248 300 HA LYS 42 HA LYS 42 -9.785 -3.031 -6.927 301 1HB LYS 42 2HB LYS 42 -10.894 -5.170 -5.306 302 2HB LYS 42 3HB LYS 42 -11.687 -3.648 -4.952 303 1HG LYS 42 2HG LYS 42 -12.670 -3.531 -7.019 304 2HG LYS 42 3HG LYS 42 -11.221 -4.063 -7.849 305 1HD LYS 42 2HD LYS 42 -12.562 -5.919 -8.229 306 2HD LYS 42 3HD LYS 42 -11.823 -6.416 -6.720 307 1HE LYS 42 2HE LYS 42 -13.764 -6.015 -5.466 308 2HE LYS 42 3HE LYS 42 -14.347 -4.775 -6.557 309 1HZ LYS 42 1HZ LYS 42 -15.658 -6.651 -6.912 310 2HZ LYS 42 2HZ LYS 42 -14.648 -6.617 -8.197 311 3HZ LYS 42 3HZ LYS 42 -14.386 -7.673 -6.980 312 H SER 43 HN SER 43 -9.795 -3.530 -3.324 313 HA SER 43 HA SER 43 -10.098 -0.792 -2.870 314 1HB SER 43 2HB SER 43 -10.303 -3.121 -1.364 315 2HB SER 43 3HB SER 43 -8.878 -2.367 -0.675 316 HG SER 43 HG SER 43 -11.270 -1.788 0.051 317 H ALA 44 HN ALA 44 -7.276 -3.048 -2.824 318 HA ALA 44 HA ALA 44 -5.399 -1.266 -1.818 319 1HB ALA 44 1HB ALA 44 -5.497 -3.909 -2.760 320 2HB ALA 44 2HB ALA 44 -4.333 -3.093 -3.832 321 3HB ALA 44 3HB ALA 44 -4.082 -3.076 -2.070 322 H HIS 45 HN HIS 45 -7.148 -1.262 -4.809 323 HA HIS 45 HA HIS 45 -5.099 0.373 -6.082 324 1HB HIS 45 2HB HIS 45 -7.467 -1.190 -7.056 325 2HB HIS 45 3HB HIS 45 -6.894 0.163 -8.010 326 HD1 HIS 45 HD1 HIS 45 -6.614 -2.375 -9.452 327 HD2 HIS 45 HD2 HIS 45 -3.699 -1.132 -6.704 328 HE1 HIS 45 HE1 HIS 45 -4.478 -3.633 -10.058 329 H LYS 46 HN LYS 46 -7.599 0.755 -3.926 330 HA LYS 46 HA LYS 46 -8.482 3.272 -5.138 331 1HB LYS 46 2HB LYS 46 -9.850 1.167 -3.754 332 2HB LYS 46 3HB LYS 46 -9.972 2.626 -2.792 333 1HG LYS 46 2HG LYS 46 -11.184 3.772 -4.411 334 2HG LYS 46 3HG LYS 46 -10.394 2.953 -5.745 335 1HD LYS 46 2HD LYS 46 -11.825 0.940 -4.290 336 2HD LYS 46 3HD LYS 46 -12.914 2.304 -4.448 337 1HE LYS 46 2HE LYS 46 -11.422 1.725 -6.943 338 2HE LYS 46 3HE LYS 46 -12.418 0.382 -6.415 339 1HZ LYS 46 1HZ LYS 46 -13.526 2.076 -7.835 340 2HZ LYS 46 2HZ LYS 46 -14.308 1.737 -6.443 341 3HZ LYS 46 3HZ LYS 46 -13.451 3.120 -6.582 342 H ASP 47 HN ASP 47 -9.327 4.471 -2.650 343 HA ASP 47 HA ASP 47 -7.266 5.989 -2.020 344 1HB ASP 47 2HB ASP 47 -9.643 6.124 -1.124 345 2HB ASP 47 3HB ASP 47 -9.226 4.893 0.050 346 H ALA 48 HN ALA 48 -7.842 2.629 -1.021 347 HA ALA 48 HA ALA 48 -6.442 2.261 1.224 348 1HB ALA 48 1HB ALA 48 -6.018 0.494 -1.205 349 2HB ALA 48 2HB ALA 48 -6.121 0.018 0.507 350 3HB ALA 48 3HB ALA 48 -7.578 0.572 -0.352 351 H CYS 49 HN CYS 49 -4.814 1.865 -2.003 352 HA CYS 49 HA CYS 49 -2.355 2.722 -0.686 353 1HB CYS 49 2HB CYS 49 -2.925 0.582 -2.403 354 2HB CYS 49 3HB CYS 49 -2.027 1.721 -3.386 355 H LYS 50 HN LYS 50 -3.956 2.944 -3.958 356 HA LYS 50 HA LYS 50 -2.563 5.166 -4.812 357 1HB LYS 50 2HB LYS 50 -5.362 4.260 -5.549 358 2HB LYS 50 3HB LYS 50 -4.400 5.413 -6.453 359 1HG LYS 50 2HG LYS 50 -2.642 3.256 -6.133 360 2HG LYS 50 3HG LYS 50 -4.191 2.465 -6.353 361 1HD LYS 50 2HD LYS 50 -4.064 4.613 -8.260 362 2HD LYS 50 3HD LYS 50 -2.532 3.768 -8.338 363 1HE LYS 50 2HE LYS 50 -3.472 1.905 -9.278 364 2HE LYS 50 3HE LYS 50 -4.822 1.911 -8.160 365 1HZ LYS 50 1HZ LYS 50 -6.057 3.104 -9.568 366 2HZ LYS 50 2HZ LYS 50 -4.823 4.032 -10.099 367 3HZ LYS 50 3HZ LYS 50 -5.039 2.533 -10.709 368 H THR 51 HN THR 51 -2.314 6.733 -3.179 369 HA THR 51 HA THR 51 -4.149 8.778 -3.118 370 HB THR 51 HB THR 51 -4.698 6.563 -1.173 371 HG1 THR 51 HG1 THR 51 -6.055 7.495 -2.989 372 1HG2 THR 51 1HG THR 51 -3.914 8.336 0.395 373 2HG2 THR 51 2HG THR 51 -4.926 9.533 -0.448 374 3HG2 THR 51 3HG THR 51 -5.687 8.199 0.452 375 H CYS 52 HN CYS 52 -2.098 7.016 -0.695 376 HA CYS 52 HA CYS 52 -0.856 9.541 -0.051 377 1HB CYS 52 2HB CYS 52 -1.180 8.412 1.897 378 2HB CYS 52 3HB CYS 52 -0.967 6.834 1.165 379 H HIS 53 HN HIS 53 0.054 6.225 -1.241 380 HA HIS 53 HA HIS 53 2.694 6.569 -1.639 381 1HB HIS 53 2HB HIS 53 0.713 4.743 -2.426 382 2HB HIS 53 3HB HIS 53 1.506 5.211 -3.916 383 HD1 HIS 53 HD1 HIS 53 2.688 2.928 -4.207 384 HD2 HIS 53 HD2 HIS 53 3.640 4.888 -0.623 385 HE1 HIS 53 HE1 HIS 53 4.674 1.674 -3.212 386 H LYS 54 HN LYS 54 -0.003 7.772 -3.693 387 HA LYS 54 HA LYS 54 1.804 8.805 -5.662 388 1HB LYS 54 2HB LYS 54 -0.338 9.837 -6.551 389 2HB LYS 54 3HB LYS 54 -0.275 8.087 -6.493 390 1HG LYS 54 2HG LYS 54 -1.747 7.953 -4.647 391 2HG LYS 54 3HG LYS 54 -1.397 9.586 -4.115 392 1HD LYS 54 2HD LYS 54 -2.461 9.827 -6.758 393 2HD LYS 54 3HD LYS 54 -3.478 8.665 -5.931 394 1HE LYS 54 2HE LYS 54 -3.402 10.443 -3.946 395 2HE LYS 54 3HE LYS 54 -2.946 11.559 -5.217 396 1HZ LYS 54 1HZ LYS 54 -5.119 11.693 -5.550 397 2HZ LYS 54 2HZ LYS 54 -5.015 10.243 -6.294 398 3HZ LYS 54 3HZ LYS 54 -5.464 10.326 -4.726 399 H SER 55 HN SER 55 3.233 10.059 -4.270 400 HA SER 55 HA SER 55 2.332 12.729 -4.112 401 1HB SER 55 2HB SER 55 2.323 11.054 -1.665 402 2HB SER 55 3HB SER 55 3.233 12.542 -1.490 403 HG SER 55 HG SER 55 0.689 12.742 -2.746 404 H ASN 56 HN ASN 56 4.731 10.261 -2.981 405 HA ASN 56 HA ASN 56 6.812 12.227 -3.466 406 1HB ASN 56 2HB ASN 56 6.487 9.882 -1.653 407 2HB ASN 56 3HB ASN 56 8.067 9.972 -2.404 408 1HD2 ASN 56 1HD ASN 56 7.921 10.211 0.249 409 2HD2 ASN 56 2HD ASN 56 8.231 11.830 0.781 410 H ASN 57 HN ASN 57 7.061 8.628 -3.473 411 HA ASN 57 HA ASN 57 8.686 8.477 -5.633 412 1HB ASN 57 2HB ASN 57 6.849 6.591 -4.195 413 2HB ASN 57 3HB ASN 57 7.339 6.074 -5.797 414 1HD2 ASN 57 1HD ASN 57 8.089 5.998 -2.600 415 2HD2 ASN 57 2HD ASN 57 9.783 5.640 -2.656 416 H GLY 58 HN GLY 58 5.120 8.675 -5.403 417 1HA GLY 58 1HA GLY 58 3.509 8.962 -6.943 418 2HA GLY 58 2HA GLY 58 4.748 9.591 -8.012 419 HA PRO 59 HA PRO 59 4.591 4.948 -8.894 420 1HB PRO 59 2HB PRO 59 3.035 3.283 -7.386 421 2HB PRO 59 3HB PRO 59 4.740 3.543 -7.076 422 1HG PRO 59 2HG PRO 59 2.406 4.593 -5.596 423 2HG PRO 59 3HG PRO 59 4.077 4.482 -5.077 424 1HD PRO 59 2HD PRO 59 2.704 6.844 -5.952 425 2HD PRO 59 3HD PRO 59 4.403 6.710 -5.544 426 H THR 60 HN THR 60 2.125 7.023 -8.621 427 HA THR 60 HA THR 60 -0.155 5.863 -9.400 428 HB THR 60 HB THR 60 1.256 8.392 -10.360 429 HG1 THR 60 HG1 THR 60 0.050 9.156 -8.615 430 1HG2 THR 60 1HG THR 60 -0.384 8.685 -11.927 431 2HG2 THR 60 2HG THR 60 -1.169 7.161 -11.450 432 3HG2 THR 60 3HG THR 60 -1.565 8.671 -10.595 433 H LYS 61 HN LYS 61 2.180 7.006 -11.930 434 HA LYS 61 HA LYS 61 0.956 5.587 -13.969 435 1HB LYS 61 2HB LYS 61 2.593 6.450 -15.286 436 2HB LYS 61 3HB LYS 61 2.815 7.489 -13.892 437 1HG LYS 61 2HG LYS 61 4.541 5.795 -13.030 438 2HG LYS 61 3HG LYS 61 4.414 4.982 -14.577 439 1HD LYS 61 2HD LYS 61 4.876 7.405 -15.573 440 2HD LYS 61 3HD LYS 61 5.509 7.740 -13.974 441 1HE LYS 61 2HE LYS 61 7.373 6.439 -14.299 442 2HE LYS 61 3HE LYS 61 6.468 5.164 -15.089 443 1HZ LYS 61 1HZ LYS 61 8.029 6.377 -16.535 444 2HZ LYS 61 2HZ LYS 61 6.495 6.378 -17.096 445 3HZ LYS 61 3HZ LYS 61 7.107 7.717 -16.390 446 H CYS 62 HN CYS 62 1.152 3.522 -14.803 447 HA CYS 62 HA CYS 62 1.623 1.437 -13.211 448 1HB CYS 62 2HB CYS 62 1.469 1.863 -16.080 449 2HB CYS 62 3HB CYS 62 2.542 0.533 -15.691 450 H GLY 63 HN GLY 63 3.457 -0.101 -12.962 451 1HA GLY 63 1HA GLY 63 5.702 -0.675 -13.123 452 2HA GLY 63 2HA GLY 63 6.093 0.930 -13.706 453 H GLY 64 HN GLY 64 4.293 2.149 -11.510 454 1HA GLY 64 1HA GLY 64 6.263 2.766 -9.661 455 2HA GLY 64 2HA GLY 64 4.537 2.964 -9.431 456 H CYS 65 HN CYS 65 3.644 0.260 -9.543 457 HA CYS 65 HA CYS 65 4.975 -0.795 -7.155 458 1HB CYS 65 2HB CYS 65 2.089 -1.152 -7.992 459 2HB CYS 65 3HB CYS 65 2.837 -1.805 -6.549 460 H HIS 66 HN HIS 66 2.841 -1.852 -9.919 461 HA HIS 66 HA HIS 66 4.036 -4.441 -9.900 462 1HB HIS 66 2HB HIS 66 2.011 -3.095 -11.700 463 2HB HIS 66 3HB HIS 66 2.573 -4.734 -11.959 464 HD1 HIS 66 HD1 HIS 66 1.216 -6.511 -10.844 465 HD2 HIS 66 HD2 HIS 66 0.837 -2.800 -8.925 466 HE1 HIS 66 HE1 HIS 66 -0.513 -6.835 -8.995 467 H ILE 67 HN ILE 67 6.181 -4.508 -10.475 468 HA ILE 67 HA ILE 67 7.054 -2.878 -12.710 469 HB ILE 67 HB ILE 67 8.539 -4.672 -10.789 470 1HG1 ILE 67 2HG ILE 67 8.927 -1.723 -10.857 471 2HG1 ILE 67 3HG ILE 67 7.408 -2.296 -10.197 472 1HG2 ILE 67 1HG ILE 67 9.340 -3.584 -13.339 473 2HG2 ILE 67 2HG ILE 67 10.316 -2.884 -12.025 474 3HG2 ILE 67 3HG ILE 67 10.230 -4.651 -12.225 475 1HD1 ILE 67 1HD ILE 67 10.188 -2.641 -9.148 476 2HD1 ILE 67 2HD ILE 67 8.656 -2.438 -8.266 477 3HD1 ILE 67 3HD ILE 67 9.089 -4.026 -8.941 478 H LYS 68 HN LYS 68 5.410 -4.202 -14.062 479 HA LYS 68 HA LYS 68 5.809 -6.877 -14.608 480 1HB LYS 68 2HB LYS 68 4.462 -6.521 -16.534 481 2HB LYS 68 3HB LYS 68 3.866 -5.444 -15.287 482 1HG LYS 68 2HG LYS 68 5.477 -3.663 -16.342 483 2HG LYS 68 3HG LYS 68 5.550 -4.745 -17.719 484 1HD LYS 68 2HD LYS 68 2.777 -4.410 -16.888 485 2HD LYS 68 3HD LYS 68 3.514 -2.837 -17.114 486 1HE LYS 68 2HE LYS 68 4.302 -3.535 -19.389 487 2HE LYS 68 3HE LYS 68 3.559 -5.106 -19.163 488 1HZ LYS 68 1HZ LYS 68 1.545 -3.455 -18.608 489 2HZ LYS 68 2HZ LYS 68 2.329 -2.597 -19.756 490 3HZ LYS 68 3HZ LYS 68 1.813 -4.113 -20.079 491 HHA HEC 98 HGM HEC 98 -4.692 -4.912 8.839 492 HHB HEC 98 HDM HEC 98 -2.525 -2.135 13.994 493 HHC HEC 98 HAM HEC 98 1.354 1.321 10.370 494 HHD HEC 98 HBM HEC 98 -1.255 -1.227 5.319 495 1HMA HEC 98 1HM HEC 98 -4.974 -4.110 14.336 496 2HMA HEC 98 2HM HEC 98 -4.062 -5.616 14.078 497 3HMA HEC 98 3HM HEC 98 -3.223 -4.155 14.648 498 1HAA HEC 98 1HA HEC 98 -5.389 -6.306 12.225 499 2HAA HEC 98 2HA HEC 98 -5.849 -5.709 10.612 500 1HBA HEC 98 3HB HEC 98 -4.821 -7.644 9.849 501 2HBA HEC 98 4HB HEC 98 -3.313 -6.736 10.108 502 1HMB HEC 98 1HM HEC 98 -1.599 -0.939 15.322 503 2HMB HEC 98 2HM HEC 98 -0.241 0.195 15.523 504 3HMB HEC 98 3HM HEC 98 -1.846 0.803 15.054 505 HAB HEC 98 HT2 HEC 98 1.575 2.017 12.264 506 1HBB HEC 98 1HT HEC 98 2.331 0.654 14.775 507 2HBB HEC 98 2HT HEC 98 2.787 0.049 13.164 508 3HBB HEC 98 3HT HEC 98 3.281 1.681 13.675 509 1HMC HEC 98 1HM HEC 98 2.992 1.762 7.540 510 2HMC HEC 98 2HM HEC 98 1.762 3.048 7.515 511 3HMC HEC 98 3HM HEC 98 2.268 2.331 9.063 512 HAC HEC 98 HT4 HEC 98 -0.567 1.037 4.860 513 1HBC HEC 98 1HT HEC 98 1.412 -0.649 4.649 514 2HBC HEC 98 2HT HEC 98 1.185 0.560 3.363 515 3HBC HEC 98 3HT HEC 98 2.441 0.802 4.601 516 1HMD HEC 98 1HM HEC 98 -3.538 -3.673 3.759 517 2HMD HEC 98 2HM HEC 98 -3.306 -1.912 3.873 518 3HMD HEC 98 3HM HEC 98 -1.894 -2.994 3.823 519 1HAD HEC 98 1HA HEC 98 -4.902 -5.626 6.705 520 2HAD HEC 98 2HA HEC 98 -5.051 -4.771 5.152 521 1HBD HEC 98 3HB HEC 98 -2.514 -5.678 4.966 522 2HBD HEC 98 4HB HEC 98 -3.246 -6.956 5.965 523 HHA HEC 128 HGM HEC 128 9.265 3.080 -0.671 524 HHB HEC 128 HDM HEC 128 4.949 -1.119 -2.317 525 HHC HEC 128 HAM HEC 128 0.774 1.884 1.378 526 HHD HEC 128 HBM HEC 128 5.080 6.234 2.540 527 1HMA HEC 128 1HM HEC 128 8.761 -1.779 -2.618 528 2HMA HEC 128 2HM HEC 128 7.071 -2.251 -2.326 529 3HMA HEC 128 3HM HEC 128 7.495 -1.317 -3.780 530 1HAA HEC 128 1HA HEC 128 10.376 1.463 -1.057 531 2HAA HEC 128 2HA HEC 128 10.353 -0.256 -1.515 532 1HBA HEC 128 3HB HEC 128 9.572 0.499 -3.862 533 2HBA HEC 128 4HB HEC 128 9.939 2.166 -3.357 534 1HMB HEC 128 1HM HEC 128 2.153 -2.627 -1.883 535 2HMB HEC 128 2HM HEC 128 1.420 -1.410 -2.955 536 3HMB HEC 128 3HM HEC 128 3.170 -1.723 -3.030 537 HAB HEC 128 HT2 HEC 128 -0.330 0.516 0.163 538 1HBB HEC 128 1HT HEC 128 0.940 -1.581 1.501 539 2HBB HEC 128 2HT HEC 128 -0.583 -0.728 1.842 540 3HBB HEC 128 3HT HEC 128 -0.584 -2.165 0.794 541 1HMC HEC 128 1HM HEC 128 -0.176 2.915 2.755 542 2HMC HEC 128 2HM HEC 128 0.068 4.297 3.849 543 3HMC HEC 128 3HM HEC 128 -0.493 4.571 2.184 544 HAC HEC 128 HT4 HEC 128 3.147 6.895 3.542 545 1HBC HEC 128 1HT HEC 128 1.376 5.944 5.002 546 2HBC HEC 128 2HT HEC 128 1.014 7.619 4.522 547 3HBC HEC 128 3HT HEC 128 0.170 6.266 3.734 548 1HMD HEC 128 1HM HEC 128 6.700 7.885 1.985 549 2HMD HEC 128 2HM HEC 128 7.432 7.052 3.377 550 3HMD HEC 128 3HM HEC 128 8.460 7.626 2.043 551 1HAD HEC 128 1HA HEC 128 10.189 5.510 0.062 552 2HAD HEC 128 2HA HEC 128 9.942 6.343 1.615 553 1HBD HEC 128 3HB HEC 128 11.052 4.760 2.687 554 2HBD HEC 128 4HB HEC 128 9.982 3.499 2.026 555 HHA HEC 158 HGM HEC 158 -3.032 -7.188 -6.743 556 HHB HEC 158 HDM HEC 158 -2.559 -5.527 -12.742 557 HHC HEC 158 HAM HEC 158 -0.796 0.266 -10.888 558 HHD HEC 158 HBM HEC 158 -0.879 -1.707 -4.979 559 1HMA HEC 158 1HM HEC 158 -4.871 -8.310 -11.628 560 2HMA HEC 158 2HM HEC 158 -4.031 -7.170 -12.705 561 3HMA HEC 158 3HM HEC 158 -3.180 -8.608 -12.096 562 1HAA HEC 158 1HA HEC 158 -4.243 -8.435 -7.600 563 2HAA HEC 158 2HA HEC 158 -5.232 -8.739 -9.048 564 1HBA HEC 158 3HB HEC 158 -2.448 -9.451 -9.604 565 2HBA HEC 158 4HB HEC 158 -2.988 -10.282 -8.126 566 1HMB HEC 158 1HM HEC 158 -0.563 -4.105 -14.617 567 2HMB HEC 158 2HM HEC 158 -2.297 -4.492 -14.524 568 3HMB HEC 158 3HM HEC 158 -1.768 -2.939 -15.213 569 HAB HEC 158 HT2 HEC 158 -0.084 -0.133 -13.218 570 1HBB HEC 158 1HT HEC 158 -1.662 1.197 -12.425 571 2HBB HEC 158 2HT HEC 158 -1.885 1.341 -14.184 572 3HBB HEC 158 3HT HEC 158 -2.991 0.327 -13.227 573 1HMC HEC 158 1HM HEC 158 -0.575 2.021 -9.926 574 2HMC HEC 158 2HM HEC 158 -0.307 2.659 -8.287 575 3HMC HEC 158 3HM HEC 158 1.037 1.911 -9.181 576 HAC HEC 158 HT4 HEC 158 0.007 0.309 -4.979 577 1HBC HEC 158 1HT HEC 158 0.980 2.811 -6.284 578 2HBC HEC 158 2HT HEC 158 -0.779 2.538 -6.310 579 3HBC HEC 158 3HT HEC 158 0.091 2.585 -4.758 580 1HMD HEC 158 1HM HEC 158 -2.063 -3.924 -2.479 581 2HMD HEC 158 2HM HEC 158 -0.333 -3.909 -2.896 582 3HMD HEC 158 3HM HEC 158 -1.321 -2.449 -3.144 583 1HAD HEC 158 1HA HEC 158 -3.018 -5.709 -2.995 584 2HAD HEC 158 2HA HEC 158 -3.825 -6.577 -4.323 585 1HBD HEC 158 3HB HEC 158 -0.931 -7.014 -3.592 586 2HBD HEC 158 4HB HEC 158 -2.275 -7.936 -2.875 Start of MODEL 17 1 H ALA 1 HN ALA 1 3.806 -10.393 8.701 2 HA ALA 1 HA ALA 1 4.208 -8.040 9.961 3 1HB ALA 1 1HB ALA 1 5.986 -10.508 10.110 4 2HB ALA 1 2HB ALA 1 5.804 -9.262 11.369 5 3HB ALA 1 3HB ALA 1 4.427 -10.310 10.947 6 H ASP 2 HN ASP 2 5.530 -6.290 9.758 7 HA ASP 2 HA ASP 2 7.197 -5.032 9.156 8 1HB ASP 2 2HB ASP 2 8.585 -7.170 9.757 9 2HB ASP 2 3HB ASP 2 8.702 -7.423 8.026 10 H VAL 3 HN VAL 3 6.933 -7.812 6.805 11 HA VAL 3 HA VAL 3 6.330 -5.862 4.710 12 HB VAL 3 HB VAL 3 8.683 -6.327 4.504 13 1HG1 VAL 3 1HG VAL 3 8.361 -9.223 3.937 14 2HG1 VAL 3 2HG VAL 3 9.689 -8.346 4.736 15 3HG1 VAL 3 3HG VAL 3 8.208 -8.738 5.643 16 1HG2 VAL 3 1HG VAL 3 8.627 -7.573 2.228 17 2HG2 VAL 3 2HG VAL 3 6.862 -7.591 2.459 18 3HG2 VAL 3 3HG VAL 3 7.734 -6.041 2.389 19 H VAL 4 HN VAL 4 4.456 -6.384 3.712 20 HA VAL 4 HA VAL 4 3.539 -9.153 4.028 21 HB VAL 4 HB VAL 4 1.937 -6.659 3.440 22 1HG1 VAL 4 1HG VAL 4 0.987 -9.361 4.436 23 2HG1 VAL 4 2HG VAL 4 -0.005 -7.983 3.904 24 3HG1 VAL 4 3HG VAL 4 0.981 -8.877 2.722 25 1HG2 VAL 4 1HG VAL 4 1.267 -7.504 5.996 26 2HG2 VAL 4 2HG VAL 4 3.038 -7.677 5.953 27 3HG2 VAL 4 3HG VAL 4 2.288 -6.106 5.583 28 H THR 5 HN THR 5 4.924 -9.840 2.226 29 HA THR 5 HA THR 5 4.479 -8.666 -0.354 30 HB THR 5 HB THR 5 5.994 -11.090 0.727 31 HG1 THR 5 HG1 THR 5 6.871 -8.713 -0.712 32 1HG2 THR 5 1HG THR 5 7.059 -11.224 -1.511 33 2HG2 THR 5 2HG THR 5 5.313 -11.529 -1.661 34 3HG2 THR 5 3HG THR 5 5.980 -9.943 -2.116 35 H TYR 6 HN TYR 6 2.762 -8.964 -1.613 36 HA TYR 6 HA TYR 6 1.272 -11.473 -1.238 37 1HB TYR 6 2HB TYR 6 0.641 -8.578 -2.023 38 2HB TYR 6 3HB TYR 6 -0.476 -9.851 -2.476 39 HD1 TYR 6 HD1 TYR 6 -0.380 -7.333 -0.341 40 HD2 TYR 6 HD2 TYR 6 -0.511 -11.605 -0.128 41 HE1 TYR 6 HE1 TYR 6 -1.479 -7.192 1.948 42 HE2 TYR 6 HE2 TYR 6 -1.609 -11.448 2.161 43 HH TYR 6 HH TYR 6 -3.015 -8.705 3.301 44 H GLU 7 HN GLU 7 1.997 -12.902 -2.771 45 HA GLU 7 HA GLU 7 3.069 -12.126 -5.194 46 1HB GLU 7 2HB GLU 7 1.783 -14.762 -4.362 47 2HB GLU 7 3HB GLU 7 2.718 -14.550 -5.828 48 1HG GLU 7 2HG GLU 7 4.546 -15.070 -4.579 49 2HG GLU 7 3HG GLU 7 4.406 -13.464 -3.890 50 H ASN 8 HN ASN 8 2.104 -11.220 -6.956 51 HA ASN 8 HA ASN 8 -0.766 -11.512 -7.155 52 1HB ASN 8 2HB ASN 8 1.287 -9.547 -8.150 53 2HB ASN 8 3HB ASN 8 -0.117 -9.779 -9.172 54 1HD2 ASN 8 1HD ASN 8 1.117 -7.929 -6.819 55 2HD2 ASN 8 2HD ASN 8 -0.310 -7.361 -6.018 56 H LYS 9 HN LYS 9 -1.272 -11.248 -9.856 57 HA LYS 9 HA LYS 9 -0.293 -13.749 -10.891 58 1HB LYS 9 2HB LYS 9 -2.707 -12.823 -10.979 59 2HB LYS 9 3HB LYS 9 -2.141 -11.829 -12.306 60 1HG LYS 9 2HG LYS 9 -2.790 -13.689 -13.523 61 2HG LYS 9 3HG LYS 9 -1.141 -14.167 -13.179 62 1HD LYS 9 2HD LYS 9 -1.959 -16.029 -12.176 63 2HD LYS 9 3HD LYS 9 -2.590 -15.004 -10.902 64 1HE LYS 9 2HE LYS 9 -4.758 -15.002 -11.772 65 2HE LYS 9 3HE LYS 9 -4.215 -15.183 -13.428 66 1HZ LYS 9 1HZ LYS 9 -4.545 -17.227 -11.392 67 2HZ LYS 9 2HZ LYS 9 -4.999 -17.245 -12.960 68 3HZ LYS 9 3HZ LYS 9 -3.432 -17.470 -12.561 69 H LYS 10 HN LYS 10 -0.387 -10.308 -12.068 70 HA LYS 10 HA LYS 10 2.034 -10.957 -13.601 71 1HB LYS 10 2HB LYS 10 -0.113 -8.914 -14.248 72 2HB LYS 10 3HB LYS 10 1.328 -9.229 -15.193 73 1HG LYS 10 2HG LYS 10 -0.192 -11.694 -14.608 74 2HG LYS 10 3HG LYS 10 -1.147 -10.515 -15.485 75 1HD LYS 10 2HD LYS 10 1.657 -10.934 -16.466 76 2HD LYS 10 3HD LYS 10 0.549 -12.271 -16.704 77 1HE LYS 10 2HE LYS 10 -0.945 -10.958 -18.038 78 2HE LYS 10 3HE LYS 10 -0.260 -9.445 -17.479 79 1HZ LYS 10 1HZ LYS 10 0.824 -11.325 -19.409 80 2HZ LYS 10 2HZ LYS 10 0.729 -9.696 -19.491 81 3HZ LYS 10 3HZ LYS 10 1.865 -10.402 -18.554 82 H GLY 11 HN GLY 11 2.908 -10.540 -11.261 83 1HA GLY 11 1HA GLY 11 4.528 -8.442 -11.138 84 2HA GLY 11 2HA GLY 11 3.036 -7.708 -10.583 85 H ASN 12 HN ASN 12 4.527 -7.442 -8.587 86 HA ASN 12 HA ASN 12 3.732 -9.448 -6.744 87 1HB ASN 12 2HB ASN 12 6.380 -9.594 -7.907 88 2HB ASN 12 3HB ASN 12 6.564 -9.096 -6.237 89 1HD2 ASN 12 1HD ASN 12 6.854 -10.685 -4.892 90 2HD2 ASN 12 2HD ASN 12 6.183 -12.280 -4.978 91 H VAL 13 HN VAL 13 2.860 -7.956 -5.278 92 HA VAL 13 HA VAL 13 4.180 -5.415 -4.901 93 HB VAL 13 HB VAL 13 1.769 -5.527 -5.143 94 1HG1 VAL 13 1HG VAL 13 0.594 -7.206 -4.267 95 2HG1 VAL 13 2HG VAL 13 2.015 -7.758 -3.348 96 3HG1 VAL 13 3HG VAL 13 0.909 -6.556 -2.640 97 1HG2 VAL 13 1HG VAL 13 1.249 -3.966 -3.509 98 2HG2 VAL 13 2HG VAL 13 2.175 -4.817 -2.249 99 3HG2 VAL 13 3HG VAL 13 3.028 -3.902 -3.515 100 H THR 14 HN THR 14 5.678 -5.021 -3.357 101 HA THR 14 HA THR 14 5.947 -7.034 -1.232 102 HB THR 14 HB THR 14 7.880 -5.043 -2.525 103 HG1 THR 14 HG1 THR 14 7.135 -7.257 -3.433 104 1HG2 THR 14 1HG THR 14 9.549 -6.524 -1.122 105 2HG2 THR 14 2HG THR 14 8.727 -5.178 -0.298 106 3HG2 THR 14 3HG THR 14 8.139 -6.844 -0.084 107 H PHE 15 HN PHE 15 3.838 -5.700 -0.552 108 HA PHE 15 HA PHE 15 3.933 -3.193 0.434 109 1HB PHE 15 2HB PHE 15 2.196 -5.281 0.477 110 2HB PHE 15 3HB PHE 15 2.808 -5.477 2.107 111 HD1 PHE 15 HD1 PHE 15 0.926 -4.904 3.384 112 HD2 PHE 15 HD2 PHE 15 2.233 -2.273 0.322 113 HE1 PHE 15 HE1 PHE 15 -0.684 -3.159 4.198 114 HE2 PHE 15 HE2 PHE 15 0.624 -0.527 1.136 115 HZ PHE 15 HZ PHE 15 -0.815 -0.990 3.064 116 H ASP 16 HN ASP 16 4.014 -2.455 2.800 117 HA ASP 16 HA ASP 16 6.025 -3.948 4.265 118 1HB ASP 16 2HB ASP 16 6.093 -1.000 3.508 119 2HB ASP 16 3HB ASP 16 6.984 -1.601 4.893 120 H HIS 17 HN HIS 17 5.565 -3.960 6.513 121 HA HIS 17 HA HIS 17 3.272 -2.324 7.307 122 1HB HIS 17 2HB HIS 17 3.515 -5.027 7.403 123 2HB HIS 17 3HB HIS 17 4.122 -4.612 8.993 124 HD1 HIS 17 HD1 HIS 17 2.191 -5.219 10.490 125 HD2 HIS 17 HD2 HIS 17 1.007 -2.891 7.206 126 HE1 HIS 17 HE1 HIS 17 -0.271 -4.657 10.861 127 H LYS 18 HN LYS 18 6.564 -3.463 8.228 128 HA LYS 18 HA LYS 18 6.560 -1.493 10.388 129 1HB LYS 18 2HB LYS 18 7.180 -3.919 10.800 130 2HB LYS 18 3HB LYS 18 8.612 -3.647 9.827 131 1HG LYS 18 2HG LYS 18 9.609 -2.267 11.410 132 2HG LYS 18 3HG LYS 18 8.081 -1.634 11.988 133 1HD LYS 18 2HD LYS 18 7.605 -3.787 13.147 134 2HD LYS 18 3HD LYS 18 9.100 -4.464 12.533 135 1HE LYS 18 2HE LYS 18 9.114 -1.899 14.170 136 2HE LYS 18 3HE LYS 18 9.082 -3.465 14.958 137 1HZ LYS 18 1HZ LYS 18 11.035 -3.206 12.875 138 2HZ LYS 18 2HZ LYS 18 11.296 -2.251 14.175 139 3HZ LYS 18 3HZ LYS 18 11.177 -3.869 14.360 140 H ALA 19 HN ALA 19 7.868 -2.254 7.194 141 HA ALA 19 HA ALA 19 10.038 -0.423 7.353 142 1HB ALA 19 1HB ALA 19 9.118 -2.455 5.623 143 2HB ALA 19 2HB ALA 19 9.081 -0.958 4.661 144 3HB ALA 19 3HB ALA 19 10.593 -1.474 5.445 145 H HIS 20 HN HIS 20 6.580 -0.262 6.532 146 HA HIS 20 HA HIS 20 6.896 2.388 5.433 147 1HB HIS 20 2HB HIS 20 4.771 0.326 5.541 148 2HB HIS 20 3HB HIS 20 4.208 1.984 5.595 149 HD1 HIS 20 HD1 HIS 20 7.271 0.996 3.589 150 HD2 HIS 20 HD2 HIS 20 3.239 1.977 2.969 151 HE1 HIS 20 HE1 HIS 20 6.987 1.295 1.072 152 H ALA 21 HN ALA 21 5.217 0.791 8.230 153 HA ALA 21 HA ALA 21 4.094 2.865 9.468 154 1HB ALA 21 1HB ALA 21 5.524 0.404 10.384 155 2HB ALA 21 2HB ALA 21 5.135 1.622 11.622 156 3HB ALA 21 3HB ALA 21 3.836 0.907 10.638 157 H GLU 22 HN GLU 22 7.582 2.287 9.064 158 HA GLU 22 HA GLU 22 8.555 3.932 11.002 159 1HB GLU 22 2HB GLU 22 9.659 3.545 8.185 160 2HB GLU 22 3HB GLU 22 10.573 4.130 9.560 161 1HG GLU 22 2HG GLU 22 9.302 1.697 10.395 162 2HG GLU 22 3HG GLU 22 9.981 1.388 8.809 163 H LYS 23 HN LYS 23 7.748 4.790 7.560 164 HA LYS 23 HA LYS 23 8.046 7.594 8.211 165 1HB LYS 23 2HB LYS 23 7.599 6.033 5.669 166 2HB LYS 23 3HB LYS 23 7.388 7.771 5.712 167 1HG LYS 23 2HG LYS 23 9.889 6.871 7.027 168 2HG LYS 23 3HG LYS 23 9.812 6.443 5.329 169 1HD LYS 23 2HD LYS 23 9.533 8.735 4.648 170 2HD LYS 23 3HD LYS 23 9.142 9.257 6.275 171 1HE LYS 23 2HE LYS 23 11.430 9.928 5.844 172 2HE LYS 23 3HE LYS 23 11.492 8.604 6.990 173 1HZ LYS 23 1HZ LYS 23 11.826 7.130 5.048 174 2HZ LYS 23 2HZ LYS 23 11.979 8.451 4.101 175 3HZ LYS 23 3HZ LYS 23 13.051 8.182 5.302 176 H LEU 24 HN LEU 24 5.462 5.378 6.941 177 HA LEU 24 HA LEU 24 3.406 7.171 6.913 178 1HB LEU 24 2HB LEU 24 3.464 4.218 7.515 179 2HB LEU 24 3HB LEU 24 1.971 5.122 7.365 180 HG LEU 24 HG LEU 24 2.711 5.797 5.043 181 1HD1 LEU 24 1HD LEU 24 4.413 4.187 4.018 182 2HD1 LEU 24 2HD LEU 24 5.038 5.500 5.044 183 3HD1 LEU 24 3HD LEU 24 4.920 3.846 5.689 184 1HD2 LEU 24 1HD LEU 24 1.071 3.983 5.551 185 2HD2 LEU 24 2HD LEU 24 1.958 3.763 4.023 186 3HD2 LEU 24 3HD LEU 24 2.409 2.813 5.458 187 H GLY 25 HN GLY 25 3.494 4.712 9.550 188 1HA GLY 25 1HA GLY 25 3.851 5.483 11.843 189 2HA GLY 25 2HA GLY 25 2.902 6.903 11.450 190 H CYS 26 HN CYS 26 1.939 3.837 9.997 191 HA CYS 26 HA CYS 26 0.256 2.467 10.344 192 1HB CYS 26 2HB CYS 26 -0.291 3.408 13.125 193 2HB CYS 26 3HB CYS 26 -0.380 1.794 12.447 194 H ASP 27 HN ASP 27 -0.561 5.357 12.413 195 HA ASP 27 HA ASP 27 -3.161 5.530 11.891 196 1HB ASP 27 2HB ASP 27 -1.423 8.024 11.793 197 2HB ASP 27 3HB ASP 27 -3.028 7.860 12.476 198 H ALA 28 HN ALA 28 -0.431 6.278 9.735 199 HA ALA 28 HA ALA 28 -1.614 7.941 7.892 200 1HB ALA 28 1HB ALA 28 0.101 5.937 6.651 201 2HB ALA 28 2HB ALA 28 0.396 7.673 6.916 202 3HB ALA 28 3HB ALA 28 0.781 6.499 8.197 203 H CYS 29 HN CYS 29 -1.909 4.402 8.363 204 HA CYS 29 HA CYS 29 -3.777 4.371 6.108 205 1HB CYS 29 2HB CYS 29 -2.352 2.031 7.389 206 2HB CYS 29 3HB CYS 29 -3.414 1.968 5.997 207 H HIS 30 HN HIS 30 -3.143 2.923 9.392 208 HA HIS 30 HA HIS 30 -5.956 2.400 9.700 209 1HB HIS 30 2HB HIS 30 -3.720 2.005 11.703 210 2HB HIS 30 3HB HIS 30 -5.323 1.299 11.752 211 HD1 HIS 30 HD1 HIS 30 -5.759 -0.811 10.346 212 HD2 HIS 30 HD2 HIS 30 -1.958 0.857 9.740 213 HE1 HIS 30 HE1 HIS 30 -4.430 -2.528 9.005 214 H GLU 31 HN GLU 31 -6.589 2.934 12.281 215 HA GLU 31 HA GLU 31 -5.705 5.307 13.324 216 1HB GLU 31 2HB GLU 31 -6.546 6.434 11.328 217 2HB GLU 31 3HB GLU 31 -8.103 5.640 11.472 218 1HG GLU 31 2HG GLU 31 -7.720 6.867 13.989 219 2HG GLU 31 3HG GLU 31 -7.107 8.042 12.843 220 H GLY 32 HN GLY 32 -6.057 4.455 15.357 221 1HA GLY 32 1HA GLY 32 -7.247 3.971 17.213 222 2HA GLY 32 2HA GLY 32 -8.720 4.399 16.368 223 H THR 33 HN THR 33 -6.396 1.781 17.067 224 HA THR 33 HA THR 33 -6.669 -0.427 17.156 225 HB THR 33 HB THR 33 -9.619 0.049 16.500 226 HG1 THR 33 HG1 THR 33 -8.466 1.350 18.303 227 1HG2 THR 33 1HG THR 33 -8.207 -2.323 17.026 228 2HG2 THR 33 2HG THR 33 -8.831 -1.850 18.624 229 3HG2 THR 33 3HG THR 33 -9.955 -2.088 17.265 230 HA PRO 34 HA PRO 34 -6.119 -0.944 12.837 231 1HB PRO 34 2HB PRO 34 -4.081 -2.757 13.013 232 2HB PRO 34 3HB PRO 34 -3.822 -1.024 12.980 233 1HG PRO 34 2HG PRO 34 -3.651 -2.881 15.273 234 2HG PRO 34 3HG PRO 34 -2.998 -1.262 15.122 235 1HD PRO 34 2HD PRO 34 -5.343 -2.036 16.581 236 2HD PRO 34 3HD PRO 34 -4.755 -0.404 16.332 237 H ALA 35 HN ALA 35 -6.219 -2.761 11.253 238 HA ALA 35 HA ALA 35 -7.104 -5.254 12.267 239 1HB ALA 35 1HB ALA 35 -9.194 -4.343 12.769 240 2HB ALA 35 2HB ALA 35 -9.131 -3.189 11.415 241 3HB ALA 35 3HB ALA 35 -9.437 -4.913 11.100 242 H LYS 36 HN LYS 36 -8.400 -6.322 10.113 243 HA LYS 36 HA LYS 36 -6.326 -6.182 8.117 244 1HB LYS 36 2HB LYS 36 -7.615 -8.094 7.118 245 2HB LYS 36 3HB LYS 36 -7.007 -8.367 8.738 246 1HG LYS 36 2HG LYS 36 -9.152 -8.149 9.730 247 2HG LYS 36 3HG LYS 36 -9.801 -7.256 8.368 248 1HD LYS 36 2HD LYS 36 -9.004 -9.709 7.236 249 2HD LYS 36 3HD LYS 36 -9.662 -10.167 8.794 250 1HE LYS 36 2HE LYS 36 -11.409 -8.172 7.638 251 2HE LYS 36 3HE LYS 36 -11.095 -9.392 6.419 252 1HZ LYS 36 1HZ LYS 36 -12.718 -9.593 8.659 253 2HZ LYS 36 2HZ LYS 36 -12.465 -10.710 7.495 254 3HZ LYS 36 3HZ LYS 36 -11.519 -10.690 8.826 255 H ILE 37 HN ILE 37 -6.396 -4.470 6.744 256 HA ILE 37 HA ILE 37 -8.897 -3.276 6.047 257 HB ILE 37 HB ILE 37 -6.120 -2.799 4.958 258 1HG1 ILE 37 2HG ILE 37 -7.552 -1.317 7.180 259 2HG1 ILE 37 3HG ILE 37 -6.339 -2.552 7.449 260 1HG2 ILE 37 1HG ILE 37 -7.068 -0.549 4.396 261 2HG2 ILE 37 2HG ILE 37 -7.738 -1.899 3.449 262 3HG2 ILE 37 3HG ILE 37 -8.680 -1.194 4.784 263 1HD1 ILE 37 1HD ILE 37 -4.658 -1.086 7.049 264 2HD1 ILE 37 2HD ILE 37 -5.372 -0.620 5.487 265 3HD1 ILE 37 3HD ILE 37 -5.886 0.201 6.980 266 H ALA 38 HN ALA 38 -9.408 -2.879 3.631 267 HA ALA 38 HA ALA 38 -9.934 -5.351 2.459 268 1HB ALA 38 1HB ALA 38 -10.619 -3.938 0.504 269 2HB ALA 38 2HB ALA 38 -11.293 -3.372 2.051 270 3HB ALA 38 3HB ALA 38 -9.907 -2.526 1.322 271 H ILE 39 HN ILE 39 -8.759 -3.481 -0.096 272 HA ILE 39 HA ILE 39 -7.018 -3.619 -1.449 273 HB ILE 39 HB ILE 39 -5.583 -4.561 1.032 274 1HG1 ILE 39 2HG ILE 39 -6.430 -1.973 0.053 275 2HG1 ILE 39 3HG ILE 39 -5.740 -2.414 1.601 276 1HG2 ILE 39 1HG ILE 39 -3.512 -4.333 -0.099 277 2HG2 ILE 39 2HG ILE 39 -4.541 -5.358 -1.127 278 3HG2 ILE 39 3HG ILE 39 -4.291 -3.647 -1.544 279 1HD1 ILE 39 1HD ILE 39 -4.217 -0.847 0.568 280 2HD1 ILE 39 2HD ILE 39 -3.447 -2.449 0.480 281 3HD1 ILE 39 3HD ILE 39 -4.227 -1.757 -0.962 282 H ASP 40 HN ASP 40 -6.461 -5.070 -3.053 283 HA ASP 40 HA ASP 40 -5.741 -7.614 -2.823 284 1HB ASP 40 2HB ASP 40 -8.506 -7.385 -2.033 285 2HB ASP 40 3HB ASP 40 -8.469 -8.229 -3.569 286 H LYS 41 HN LYS 41 -8.417 -5.724 -4.418 287 HA LYS 41 HA LYS 41 -7.047 -6.123 -6.970 288 1HB LYS 41 2HB LYS 41 -10.019 -6.547 -6.528 289 2HB LYS 41 3HB LYS 41 -9.202 -6.563 -8.078 290 1HG LYS 41 2HG LYS 41 -7.773 -8.340 -6.304 291 2HG LYS 41 3HG LYS 41 -9.480 -8.721 -6.188 292 1HD LYS 41 2HD LYS 41 -9.477 -8.651 -8.805 293 2HD LYS 41 3HD LYS 41 -7.730 -8.717 -8.675 294 1HE LYS 41 2HE LYS 41 -7.965 -10.813 -7.261 295 2HE LYS 41 3HE LYS 41 -9.694 -10.767 -7.544 296 1HZ LYS 41 1HZ LYS 41 -8.947 -10.652 -9.997 297 2HZ LYS 41 2HZ LYS 41 -7.558 -11.305 -9.437 298 3HZ LYS 41 3HZ LYS 41 -8.974 -12.090 -9.224 299 H LYS 42 HN LYS 42 -9.890 -4.773 -7.795 300 HA LYS 42 HA LYS 42 -9.005 -2.324 -8.398 301 1HB LYS 42 2HB LYS 42 -11.217 -3.377 -8.981 302 2HB LYS 42 3HB LYS 42 -11.813 -2.886 -7.408 303 1HG LYS 42 2HG LYS 42 -11.682 -0.578 -7.924 304 2HG LYS 42 3HG LYS 42 -10.500 -0.823 -9.195 305 1HD LYS 42 2HD LYS 42 -12.730 -2.329 -10.044 306 2HD LYS 42 3HD LYS 42 -13.440 -0.888 -9.344 307 1HE LYS 42 2HE LYS 42 -12.891 0.281 -11.208 308 2HE LYS 42 3HE LYS 42 -11.192 -0.003 -10.882 309 1HZ LYS 42 1HZ LYS 42 -11.289 -1.144 -12.768 310 2HZ LYS 42 2HZ LYS 42 -11.977 -2.342 -11.899 311 3HZ LYS 42 3HZ LYS 42 -12.913 -1.308 -12.746 312 H SER 43 HN SER 43 -9.887 -3.520 -5.177 313 HA SER 43 HA SER 43 -10.266 -1.133 -3.903 314 1HB SER 43 2HB SER 43 -9.205 -3.828 -3.032 315 2HB SER 43 3HB SER 43 -9.201 -2.499 -1.890 316 HG SER 43 HG SER 43 -11.588 -3.114 -3.369 317 H ALA 44 HN ALA 44 -7.185 -3.081 -4.042 318 HA ALA 44 HA ALA 44 -5.582 -1.122 -2.896 319 1HB ALA 44 1HB ALA 44 -4.626 -3.112 -4.968 320 2HB ALA 44 2HB ALA 44 -3.791 -2.531 -3.507 321 3HB ALA 44 3HB ALA 44 -5.171 -3.645 -3.359 322 H HIS 45 HN HIS 45 -7.174 -1.212 -5.957 323 HA HIS 45 HA HIS 45 -5.225 0.592 -7.141 324 1HB HIS 45 2HB HIS 45 -7.496 -1.067 -8.187 325 2HB HIS 45 3HB HIS 45 -6.977 0.337 -9.098 326 HD1 HIS 45 HD1 HIS 45 -6.359 -1.667 -10.887 327 HD2 HIS 45 HD2 HIS 45 -3.930 -1.312 -7.484 328 HE1 HIS 45 HE1 HIS 45 -4.206 -2.932 -11.410 329 H LYS 46 HN LYS 46 -7.818 0.753 -5.042 330 HA LYS 46 HA LYS 46 -8.728 3.308 -6.161 331 1HB LYS 46 2HB LYS 46 -10.143 1.065 -5.117 332 2HB LYS 46 3HB LYS 46 -10.368 2.391 -3.995 333 1HG LYS 46 2HG LYS 46 -10.697 3.737 -6.354 334 2HG LYS 46 3HG LYS 46 -11.242 2.148 -6.851 335 1HD LYS 46 2HD LYS 46 -13.255 2.832 -5.990 336 2HD LYS 46 3HD LYS 46 -12.555 2.352 -4.457 337 1HE LYS 46 2HE LYS 46 -11.567 4.830 -4.463 338 2HE LYS 46 3HE LYS 46 -12.855 5.134 -5.613 339 1HZ LYS 46 1HZ LYS 46 -13.221 3.988 -2.931 340 2HZ LYS 46 2HZ LYS 46 -13.569 5.524 -3.365 341 3HZ LYS 46 3HZ LYS 46 -14.418 4.283 -4.001 342 H ASP 47 HN ASP 47 -9.808 4.343 -3.723 343 HA ASP 47 HA ASP 47 -7.761 5.774 -2.785 344 1HB ASP 47 2HB ASP 47 -10.354 4.842 -1.547 345 2HB ASP 47 3HB ASP 47 -9.228 5.721 -0.532 346 H ALA 48 HN ALA 48 -8.611 2.417 -2.069 347 HA ALA 48 HA ALA 48 -7.655 1.885 0.372 348 1HB ALA 48 1HB ALA 48 -7.440 -0.315 -0.359 349 2HB ALA 48 2HB ALA 48 -8.484 0.372 -1.627 350 3HB ALA 48 3HB ALA 48 -6.741 0.162 -1.925 351 H CYS 49 HN CYS 49 -5.588 2.075 -2.617 352 HA CYS 49 HA CYS 49 -3.314 2.466 -0.816 353 1HB CYS 49 2HB CYS 49 -3.420 0.518 -2.521 354 2HB CYS 49 3HB CYS 49 -3.095 1.746 -3.728 355 H LYS 50 HN LYS 50 -4.195 3.323 -4.247 356 HA LYS 50 HA LYS 50 -2.725 5.594 -4.451 357 1HB LYS 50 2HB LYS 50 -5.392 4.866 -5.682 358 2HB LYS 50 3HB LYS 50 -4.490 6.294 -6.147 359 1HG LYS 50 2HG LYS 50 -2.681 4.024 -6.104 360 2HG LYS 50 3HG LYS 50 -4.099 3.594 -7.038 361 1HD LYS 50 2HD LYS 50 -3.836 5.681 -8.397 362 2HD LYS 50 3HD LYS 50 -2.415 6.108 -7.464 363 1HE LYS 50 2HE LYS 50 -1.333 5.022 -9.193 364 2HE LYS 50 3HE LYS 50 -1.655 3.615 -8.200 365 1HZ LYS 50 1HZ LYS 50 -3.599 3.174 -9.470 366 2HZ LYS 50 2HZ LYS 50 -3.457 4.564 -10.317 367 3HZ LYS 50 3HZ LYS 50 -2.358 3.372 -10.512 368 H THR 51 HN THR 51 -2.575 6.974 -2.702 369 HA THR 51 HA THR 51 -4.511 8.946 -2.412 370 HB THR 51 HB THR 51 -5.496 6.672 -1.272 371 HG1 THR 51 HG1 THR 51 -5.480 9.412 -0.212 372 1HG2 THR 51 1HG THR 51 -5.166 6.742 1.143 373 2HG2 THR 51 2HG THR 51 -3.548 6.641 0.407 374 3HG2 THR 51 3HG THR 51 -4.154 8.201 1.014 375 H CYS 52 HN CYS 52 -1.993 7.005 -0.711 376 HA CYS 52 HA CYS 52 -0.802 9.577 0.037 377 1HB CYS 52 2HB CYS 52 -1.574 8.542 2.038 378 2HB CYS 52 3HB CYS 52 -0.907 6.987 1.582 379 H HIS 53 HN HIS 53 -0.114 8.945 -2.411 380 HA HIS 53 HA HIS 53 2.540 7.831 -2.121 381 1HB HIS 53 2HB HIS 53 0.340 6.418 -3.400 382 2HB HIS 53 3HB HIS 53 1.642 6.722 -4.533 383 HD1 HIS 53 HD1 HIS 53 1.873 4.011 -4.414 384 HD2 HIS 53 HD2 HIS 53 3.015 6.147 -0.989 385 HE1 HIS 53 HE1 HIS 53 3.285 2.414 -3.013 386 H LYS 54 HN LYS 54 0.022 9.328 -4.236 387 HA LYS 54 HA LYS 54 1.837 10.345 -6.114 388 1HB LYS 54 2HB LYS 54 -0.957 11.249 -5.357 389 2HB LYS 54 3HB LYS 54 -0.076 11.802 -6.766 390 1HG LYS 54 2HG LYS 54 -0.456 9.862 -7.920 391 2HG LYS 54 3HG LYS 54 -0.102 8.854 -6.531 392 1HD LYS 54 2HD LYS 54 -2.345 8.420 -6.516 393 2HD LYS 54 3HD LYS 54 -2.492 9.984 -5.740 394 1HE LYS 54 2HE LYS 54 -2.327 10.076 -8.721 395 2HE LYS 54 3HE LYS 54 -3.761 9.293 -8.086 396 1HZ LYS 54 1HZ LYS 54 -2.846 12.026 -7.591 397 2HZ LYS 54 2HZ LYS 54 -4.278 11.530 -8.198 398 3HZ LYS 54 3HZ LYS 54 -3.944 11.313 -6.615 399 H SER 55 HN SER 55 3.595 11.083 -4.682 400 HA SER 55 HA SER 55 3.347 13.861 -4.271 401 1HB SER 55 2HB SER 55 2.725 12.170 -2.031 402 2HB SER 55 3HB SER 55 4.273 12.920 -1.701 403 HG SER 55 HG SER 55 1.750 14.043 -1.692 404 H ASN 56 HN ASN 56 5.182 10.920 -3.149 405 HA ASN 56 HA ASN 56 7.586 12.296 -4.060 406 1HB ASN 56 2HB ASN 56 7.110 10.298 -1.804 407 2HB ASN 56 3HB ASN 56 8.718 10.540 -2.456 408 1HD2 ASN 56 1HD ASN 56 6.423 11.579 -0.258 409 2HD2 ASN 56 2HD ASN 56 7.112 13.094 0.223 410 H ASN 57 HN ASN 57 6.238 8.967 -3.379 411 HA ASN 57 HA ASN 57 7.957 7.674 -5.121 412 1HB ASN 57 2HB ASN 57 5.740 7.006 -3.388 413 2HB ASN 57 3HB ASN 57 5.429 6.257 -4.942 414 1HD2 ASN 57 1HD ASN 57 6.180 4.305 -5.161 415 2HD2 ASN 57 2HD ASN 57 7.589 3.625 -4.421 416 H GLY 58 HN GLY 58 4.351 8.182 -5.432 417 1HA GLY 58 1HA GLY 58 3.018 8.425 -7.224 418 2HA GLY 58 2HA GLY 58 4.314 9.377 -7.921 419 HA PRO 59 HA PRO 59 4.456 4.884 -9.512 420 1HB PRO 59 2HB PRO 59 2.023 3.663 -9.753 421 2HB PRO 59 3HB PRO 59 3.113 3.370 -8.414 422 1HG PRO 59 2HG PRO 59 0.625 4.966 -8.462 423 2HG PRO 59 3HG PRO 59 1.485 4.315 -7.081 424 1HD PRO 59 2HD PRO 59 1.489 7.041 -7.976 425 2HD PRO 59 3HD PRO 59 2.438 6.366 -6.666 426 H THR 60 HN THR 60 1.214 5.054 -10.670 427 HA THR 60 HA THR 60 0.367 5.675 -12.631 428 HB THR 60 HB THR 60 2.845 7.450 -12.920 429 HG1 THR 60 HG1 THR 60 1.140 8.937 -11.852 430 1HG2 THR 60 1HG THR 60 0.941 8.973 -13.887 431 2HG2 THR 60 2HG THR 60 1.552 7.663 -14.926 432 3HG2 THR 60 3HG THR 60 0.014 7.463 -14.051 433 H LYS 61 HN LYS 61 3.964 5.417 -13.057 434 HA LYS 61 HA LYS 61 3.603 4.143 -15.584 435 1HB LYS 61 2HB LYS 61 6.197 4.076 -14.089 436 2HB LYS 61 3HB LYS 61 5.895 4.298 -15.801 437 1HG LYS 61 2HG LYS 61 4.614 6.513 -14.781 438 2HG LYS 61 3HG LYS 61 5.889 6.313 -13.595 439 1HD LYS 61 2HD LYS 61 7.472 6.058 -15.694 440 2HD LYS 61 3HD LYS 61 6.151 6.795 -16.580 441 1HE LYS 61 2HE LYS 61 6.177 8.727 -14.958 442 2HE LYS 61 3HE LYS 61 7.542 7.998 -14.137 443 1HZ LYS 61 1HZ LYS 61 8.492 9.434 -15.631 444 2HZ LYS 61 2HZ LYS 61 8.594 8.018 -16.439 445 3HZ LYS 61 3HZ LYS 61 7.439 9.103 -16.835 446 H CYS 62 HN CYS 62 2.920 3.104 -12.521 447 HA CYS 62 HA CYS 62 2.327 1.063 -11.863 448 1HB CYS 62 2HB CYS 62 2.731 0.541 -14.542 449 2HB CYS 62 3HB CYS 62 3.833 -0.580 -13.766 450 H GLY 63 HN GLY 63 5.662 1.145 -13.321 451 1HA GLY 63 1HA GLY 63 7.056 -0.522 -11.746 452 2HA GLY 63 2HA GLY 63 7.682 1.018 -12.302 453 H GLY 64 HN GLY 64 5.509 2.519 -10.741 454 1HA GLY 64 1HA GLY 64 6.796 3.432 -8.609 455 2HA GLY 64 2HA GLY 64 5.060 3.197 -8.612 456 H CYS 65 HN CYS 65 4.381 0.739 -8.206 457 HA CYS 65 HA CYS 65 6.067 -0.207 -6.003 458 1HB CYS 65 2HB CYS 65 3.891 -1.185 -5.112 459 2HB CYS 65 3HB CYS 65 4.146 0.542 -4.948 460 H HIS 66 HN HIS 66 3.569 -1.159 -8.474 461 HA HIS 66 HA HIS 66 4.161 -3.887 -8.346 462 1HB HIS 66 2HB HIS 66 2.628 -2.077 -10.147 463 2HB HIS 66 3HB HIS 66 3.088 -3.635 -10.803 464 HD1 HIS 66 HD1 HIS 66 2.393 -3.581 -7.139 465 HD2 HIS 66 HD2 HIS 66 0.297 -4.335 -10.693 466 HE1 HIS 66 HE1 HIS 66 0.220 -4.731 -6.457 467 H ILE 67 HN ILE 67 6.037 -4.873 -8.883 468 HA ILE 67 HA ILE 67 8.109 -3.611 -10.207 469 HB ILE 67 HB ILE 67 8.144 -5.640 -8.701 470 1HG1 ILE 67 2HG ILE 67 9.745 -5.859 -11.265 471 2HG1 ILE 67 3HG ILE 67 10.092 -4.712 -9.986 472 1HG2 ILE 67 1HG ILE 67 7.603 -7.736 -9.417 473 2HG2 ILE 67 2HG ILE 67 6.416 -6.793 -10.351 474 3HG2 ILE 67 3HG ILE 67 7.913 -7.359 -11.129 475 1HD1 ILE 67 1HD ILE 67 9.779 -7.247 -8.707 476 2HD1 ILE 67 2HD ILE 67 10.801 -7.516 -10.139 477 3HD1 ILE 67 3HD ILE 67 11.280 -6.313 -8.918 478 H LYS 68 HN LYS 68 7.830 -2.677 -12.186 479 HA LYS 68 HA LYS 68 7.402 -4.465 -14.392 480 1HB LYS 68 2HB LYS 68 5.114 -3.379 -13.367 481 2HB LYS 68 3HB LYS 68 5.559 -2.157 -14.542 482 1HG LYS 68 2HG LYS 68 5.765 -5.016 -15.442 483 2HG LYS 68 3HG LYS 68 4.146 -4.392 -15.192 484 1HD LYS 68 2HD LYS 68 4.837 -2.375 -16.649 485 2HD LYS 68 3HD LYS 68 6.286 -3.271 -17.053 486 1HE LYS 68 2HE LYS 68 4.992 -4.076 -18.775 487 2HE LYS 68 3HE LYS 68 4.429 -5.206 -17.560 488 1HZ LYS 68 1HZ LYS 68 2.490 -4.330 -18.286 489 2HZ LYS 68 2HZ LYS 68 2.779 -3.286 -17.064 490 3HZ LYS 68 3HZ LYS 68 3.101 -2.850 -18.604 491 HHA HEC 98 HGM HEC 98 -4.497 -5.482 8.114 492 HHB HEC 98 HDM HEC 98 -1.838 -3.363 13.349 493 HHC HEC 98 HAM HEC 98 1.510 0.729 9.863 494 HHD HEC 98 HBM HEC 98 -1.584 -1.196 4.810 495 1HMA HEC 98 1HM HEC 98 -3.883 -6.690 13.144 496 2HMA HEC 98 2HM HEC 98 -2.260 -6.069 13.527 497 3HMA HEC 98 3HM HEC 98 -3.696 -5.078 13.873 498 1HAA HEC 98 1HA HEC 98 -4.821 -7.326 11.322 499 2HAA HEC 98 2HA HEC 98 -5.396 -6.579 9.812 500 1HBA HEC 98 3HB HEC 98 -4.330 -8.297 8.708 501 2HBA HEC 98 4HB HEC 98 -2.802 -7.505 9.160 502 1HMB HEC 98 1HM HEC 98 0.509 -1.678 14.921 503 2HMB HEC 98 2HM HEC 98 -0.672 -0.353 14.808 504 3HMB HEC 98 3HM HEC 98 -1.216 -2.043 14.682 505 HAB HEC 98 HT2 HEC 98 2.000 1.098 11.781 506 1HBB HEC 98 1HT HEC 98 3.816 0.544 12.800 507 2HBB HEC 98 2HT HEC 98 2.984 -0.158 14.208 508 3HBB HEC 98 3HT HEC 98 3.107 -1.085 12.693 509 1HMC HEC 98 1HM HEC 98 2.811 1.627 6.975 510 2HMC HEC 98 2HM HEC 98 1.550 2.852 7.246 511 3HMC HEC 98 3HM HEC 98 2.234 1.960 8.625 512 HAC HEC 98 HT4 HEC 98 -0.905 0.914 4.474 513 1HBC HEC 98 1HT HEC 98 1.149 -0.087 3.673 514 2HBC HEC 98 2HT HEC 98 1.105 1.602 3.113 515 3HBC HEC 98 3HT HEC 98 2.132 1.150 4.494 516 1HMD HEC 98 1HM HEC 98 -3.999 -3.467 3.180 517 2HMD HEC 98 2HM HEC 98 -3.720 -1.741 3.509 518 3HMD HEC 98 3HM HEC 98 -2.345 -2.810 3.143 519 1HAD HEC 98 1HA HEC 98 -4.731 -6.025 5.910 520 2HAD HEC 98 2HA HEC 98 -5.405 -4.864 4.741 521 1HBD HEC 98 3HB HEC 98 -2.917 -5.308 3.711 522 2HBD HEC 98 4HB HEC 98 -3.318 -6.895 4.412 523 HHA HEC 128 HGM HEC 128 8.164 3.206 -1.035 524 HHB HEC 128 HDM HEC 128 3.699 -0.701 -2.976 525 HHC HEC 128 HAM HEC 128 -0.366 2.173 0.939 526 HHD HEC 128 HBM HEC 128 4.095 6.268 2.406 527 1HMA HEC 128 1HM HEC 128 7.231 -0.943 -4.158 528 2HMA HEC 128 2HM HEC 128 6.751 -1.963 -2.782 529 3HMA HEC 128 3HM HEC 128 5.518 -1.361 -3.915 530 1HAA HEC 128 1HA HEC 128 8.940 1.235 -3.274 531 2HAA HEC 128 2HA HEC 128 9.214 1.596 -1.553 532 1HBA HEC 128 3HB HEC 128 8.716 -1.038 -1.267 533 2HBA HEC 128 4HB HEC 128 9.222 -1.093 -2.972 534 1HMB HEC 128 1HM HEC 128 -0.016 -1.093 -3.341 535 2HMB HEC 128 2HM HEC 128 1.652 -0.891 -3.924 536 3HMB HEC 128 3HM HEC 128 1.275 -2.155 -2.730 537 HAB HEC 128 HT2 HEC 128 -1.373 0.623 0.113 538 1HBB HEC 128 1HT HEC 128 -0.392 -1.990 -0.363 539 2HBB HEC 128 2HT HEC 128 -1.588 -1.362 0.798 540 3HBB HEC 128 3HT HEC 128 -2.097 -1.824 -0.843 541 1HMC HEC 128 1HM HEC 128 -1.134 3.135 2.840 542 2HMC HEC 128 2HM HEC 128 -1.080 4.834 3.365 543 3HMC HEC 128 3HM HEC 128 -1.582 4.430 1.707 544 HAC HEC 128 HT4 HEC 128 2.234 7.034 3.219 545 1HBC HEC 128 1HT HEC 128 -0.551 7.031 4.120 546 2HBC HEC 128 2HT HEC 128 0.305 5.549 4.614 547 3HBC HEC 128 3HT HEC 128 0.952 7.143 5.069 548 1HMD HEC 128 1HM HEC 128 7.075 6.925 3.149 549 2HMD HEC 128 2HM HEC 128 7.122 7.867 1.641 550 3HMD HEC 128 3HM HEC 128 5.574 7.608 2.479 551 1HAD HEC 128 1HA HEC 128 9.048 5.686 1.888 552 2HAD HEC 128 2HA HEC 128 9.338 4.476 0.616 553 1HBD HEC 128 3HB HEC 128 9.556 6.033 -1.008 554 2HBD HEC 128 4HB HEC 128 8.387 7.146 -0.257 555 HHA HEC 158 HGM HEC 158 -3.609 -6.998 -6.953 556 HHB HEC 158 HDM HEC 158 -2.599 -5.425 -12.909 557 HHC HEC 158 HAM HEC 158 -0.230 0.106 -10.934 558 HHD HEC 158 HBM HEC 158 -0.886 -1.826 -5.048 559 1HMA HEC 158 1HM HEC 158 -4.319 -6.854 -12.948 560 2HMA HEC 158 2HM HEC 158 -3.607 -8.369 -12.344 561 3HMA HEC 158 3HM HEC 158 -5.280 -7.940 -11.917 562 1HAA HEC 158 1HA HEC 158 -4.859 -8.120 -7.875 563 2HAA HEC 158 2HA HEC 158 -5.876 -8.226 -9.331 564 1HBA HEC 158 3HB HEC 158 -3.367 -9.356 -10.091 565 2HBA HEC 158 4HB HEC 158 -3.702 -10.014 -8.472 566 1HMB HEC 158 1HM HEC 158 -0.335 -4.259 -14.669 567 2HMB HEC 158 2HM HEC 158 -2.105 -4.444 -14.665 568 3HMB HEC 158 3HM HEC 158 -1.368 -2.964 -15.321 569 HAB HEC 158 HT2 HEC 158 0.617 -0.494 -13.335 570 1HBB HEC 158 1HT HEC 158 -2.003 0.542 -12.767 571 2HBB HEC 158 2HT HEC 158 -0.375 1.246 -12.612 572 3HBB HEC 158 3HT HEC 158 -1.204 1.257 -14.187 573 1HMC HEC 158 1HM HEC 158 1.465 1.932 -8.381 574 2HMC HEC 158 2HM HEC 158 0.953 1.449 -10.016 575 3HMC HEC 158 3HM HEC 158 -0.152 2.377 -8.975 576 HAC HEC 158 HT4 HEC 158 0.266 0.033 -4.991 577 1HBC HEC 158 1HT HEC 158 -0.358 2.326 -6.061 578 2HBC HEC 158 2HT HEC 158 0.839 2.304 -4.745 579 3HBC HEC 158 3HT HEC 158 1.377 2.455 -6.435 580 1HMD HEC 158 1HM HEC 158 -0.774 -4.122 -2.925 581 2HMD HEC 158 2HM HEC 158 -1.457 -2.512 -3.255 582 3HMD HEC 158 3HM HEC 158 -2.503 -3.815 -2.639 583 1HAD HEC 158 1HA HEC 158 -3.331 -5.681 -3.137 584 2HAD HEC 158 2HA HEC 158 -4.544 -6.025 -4.393 585 1HBD HEC 158 3HB HEC 158 -3.696 -8.109 -3.734 586 2HBD HEC 158 4HB HEC 158 -2.907 -7.750 -5.289 Start of MODEL 18 1 H ALA 1 HN ALA 1 0.167 -5.046 5.989 2 HA ALA 1 HA ALA 1 -0.311 -6.957 7.886 3 1HB ALA 1 1HB ALA 1 0.478 -7.053 4.966 4 2HB ALA 1 2HB ALA 1 0.176 -8.546 5.886 5 3HB ALA 1 3HB ALA 1 -1.116 -7.336 5.705 6 H ASP 2 HN ASP 2 2.084 -5.608 8.710 7 HA ASP 2 HA ASP 2 4.062 -5.988 9.513 8 1HB ASP 2 2HB ASP 2 2.673 -8.565 9.673 9 2HB ASP 2 3HB ASP 2 4.401 -8.808 9.520 10 H VAL 3 HN VAL 3 3.894 -5.655 6.647 11 HA VAL 3 HA VAL 3 5.156 -5.799 4.838 12 HB VAL 3 HB VAL 3 7.036 -7.107 6.798 13 1HG1 VAL 3 1HG VAL 3 7.357 -7.912 4.393 14 2HG1 VAL 3 2HG VAL 3 7.815 -6.236 4.007 15 3HG1 VAL 3 3HG VAL 3 8.767 -7.169 5.186 16 1HG2 VAL 3 1HG VAL 3 7.595 -4.514 5.426 17 2HG2 VAL 3 2HG VAL 3 6.328 -4.532 6.676 18 3HG2 VAL 3 3HG VAL 3 7.984 -5.046 7.081 19 H VAL 4 HN VAL 4 4.202 -6.994 3.273 20 HA VAL 4 HA VAL 4 4.558 -9.898 3.452 21 HB VAL 4 HB VAL 4 2.032 -8.457 2.623 22 1HG1 VAL 4 1HG VAL 4 2.886 -11.340 2.592 23 2HG1 VAL 4 2HG VAL 4 1.174 -10.923 2.844 24 3HG1 VAL 4 3HG VAL 4 2.008 -10.402 1.361 25 1HG2 VAL 4 1HG VAL 4 2.849 -9.816 5.186 26 2HG2 VAL 4 2HG VAL 4 2.034 -8.251 4.945 27 3HG2 VAL 4 3HG VAL 4 1.141 -9.769 4.686 28 H THR 5 HN THR 5 4.398 -10.967 1.281 29 HA THR 5 HA THR 5 4.977 -9.096 -0.908 30 HB THR 5 HB THR 5 6.564 -11.610 -0.161 31 HG1 THR 5 HG1 THR 5 7.244 -9.923 1.184 32 1HG2 THR 5 1HG THR 5 7.910 -11.207 -2.036 33 2HG2 THR 5 2HG THR 5 6.342 -10.678 -2.691 34 3HG2 THR 5 3HG THR 5 7.502 -9.475 -2.079 35 H TYR 6 HN TYR 6 3.554 -9.359 -2.498 36 HA TYR 6 HA TYR 6 2.300 -12.003 -2.728 37 1HB TYR 6 2HB TYR 6 1.606 -9.085 -3.272 38 2HB TYR 6 3HB TYR 6 0.797 -10.300 -4.242 39 HD1 TYR 6 HD1 TYR 6 -1.425 -10.264 -3.498 40 HD2 TYR 6 HD2 TYR 6 1.737 -10.437 -0.621 41 HE1 TYR 6 HE1 TYR 6 -3.125 -10.608 -1.639 42 HE2 TYR 6 HE2 TYR 6 0.027 -10.780 1.228 43 HH TYR 6 HH TYR 6 -2.396 -10.200 1.566 44 H GLU 7 HN GLU 7 3.638 -13.168 -4.105 45 HA GLU 7 HA GLU 7 4.791 -11.886 -6.357 46 1HB GLU 7 2HB GLU 7 4.621 -14.835 -5.592 47 2HB GLU 7 3HB GLU 7 5.596 -14.203 -6.905 48 1HG GLU 7 2HG GLU 7 7.225 -13.454 -5.489 49 2HG GLU 7 3HG GLU 7 6.063 -12.743 -4.385 50 H ASN 8 HN ASN 8 3.626 -11.348 -8.149 51 HA ASN 8 HA ASN 8 1.395 -13.102 -8.801 52 1HB ASN 8 2HB ASN 8 1.933 -10.146 -9.217 53 2HB ASN 8 3HB ASN 8 0.861 -10.964 -10.336 54 1HD2 ASN 8 1HD ASN 8 0.700 -8.990 -7.933 55 2HD2 ASN 8 2HD ASN 8 -0.668 -9.545 -7.027 56 H LYS 9 HN LYS 9 0.958 -12.856 -11.412 57 HA LYS 9 HA LYS 9 3.366 -13.825 -12.631 58 1HB LYS 9 2HB LYS 9 0.566 -14.144 -13.003 59 2HB LYS 9 3HB LYS 9 1.200 -13.467 -14.489 60 1HG LYS 9 2HG LYS 9 1.489 -15.795 -14.799 61 2HG LYS 9 3HG LYS 9 3.082 -15.265 -14.299 62 1HD LYS 9 2HD LYS 9 2.749 -16.057 -12.039 63 2HD LYS 9 3HD LYS 9 1.027 -16.270 -12.287 64 1HE LYS 9 2HE LYS 9 1.603 -18.016 -14.080 65 2HE LYS 9 3HE LYS 9 3.273 -17.897 -13.563 66 1HZ LYS 9 1HZ LYS 9 1.637 -18.220 -11.325 67 2HZ LYS 9 2HZ LYS 9 1.272 -19.386 -12.410 68 3HZ LYS 9 3HZ LYS 9 2.807 -19.214 -11.882 69 H LYS 10 HN LYS 10 1.200 -10.951 -12.913 70 HA LYS 10 HA LYS 10 3.047 -9.798 -14.837 71 1HB LYS 10 2HB LYS 10 0.320 -8.956 -13.822 72 2HB LYS 10 3HB LYS 10 1.289 -7.977 -14.906 73 1HG LYS 10 2HG LYS 10 1.025 -10.816 -15.755 74 2HG LYS 10 3HG LYS 10 -0.494 -9.944 -15.710 75 1HD LYS 10 2HD LYS 10 1.920 -8.665 -17.026 76 2HD LYS 10 3HD LYS 10 1.007 -9.881 -17.897 77 1HE LYS 10 2HE LYS 10 -1.086 -8.554 -17.572 78 2HE LYS 10 3HE LYS 10 -0.188 -7.344 -16.676 79 1HZ LYS 10 1HZ LYS 10 -0.470 -7.560 -19.417 80 2HZ LYS 10 2HZ LYS 10 0.368 -6.433 -18.583 81 3HZ LYS 10 3HZ LYS 10 1.113 -7.796 -19.088 82 H GLY 11 HN GLY 11 4.466 -10.178 -12.595 83 1HA GLY 11 1HA GLY 11 5.961 -8.582 -11.653 84 2HA GLY 11 2HA GLY 11 4.630 -7.460 -11.459 85 H ASN 12 HN ASN 12 4.572 -7.149 -9.240 86 HA ASN 12 HA ASN 12 3.315 -9.022 -7.691 87 1HB ASN 12 2HB ASN 12 5.127 -9.761 -6.154 88 2HB ASN 12 3HB ASN 12 5.457 -10.304 -7.788 89 1HD2 ASN 12 1HD ASN 12 7.313 -9.933 -5.641 90 2HD2 ASN 12 2HD ASN 12 8.486 -8.755 -6.129 91 H VAL 13 HN VAL 13 2.581 -7.903 -5.818 92 HA VAL 13 HA VAL 13 3.806 -5.270 -5.393 93 HB VAL 13 HB VAL 13 1.505 -5.220 -6.163 94 1HG1 VAL 13 1HG VAL 13 0.896 -6.914 -3.718 95 2HG1 VAL 13 2HG VAL 13 -0.325 -6.131 -4.749 96 3HG1 VAL 13 3HG VAL 13 0.730 -7.397 -5.423 97 1HG2 VAL 13 1HG VAL 13 2.441 -3.622 -4.365 98 2HG2 VAL 13 2HG VAL 13 0.677 -3.673 -4.606 99 3HG2 VAL 13 3HG VAL 13 1.412 -4.524 -3.226 100 H THR 14 HN THR 14 5.014 -5.035 -3.589 101 HA THR 14 HA THR 14 4.578 -6.985 -1.432 102 HB THR 14 HB THR 14 7.001 -5.339 -2.321 103 HG1 THR 14 HG1 THR 14 6.075 -8.111 -2.248 104 1HG2 THR 14 1HG THR 14 8.094 -5.901 -0.381 105 2HG2 THR 14 2HG THR 14 6.476 -6.179 0.308 106 3HG2 THR 14 3HG THR 14 7.396 -7.539 -0.382 107 H PHE 15 HN PHE 15 3.210 -6.234 0.070 108 HA PHE 15 HA PHE 15 2.804 -3.484 0.491 109 1HB PHE 15 2HB PHE 15 2.304 -5.840 2.399 110 2HB PHE 15 3HB PHE 15 1.385 -4.348 2.328 111 HD1 PHE 15 HD1 PHE 15 0.100 -7.002 2.250 112 HD2 PHE 15 HD2 PHE 15 1.579 -4.587 -0.911 113 HE1 PHE 15 HE1 PHE 15 -1.524 -8.079 0.667 114 HE2 PHE 15 HE2 PHE 15 -0.045 -5.664 -2.493 115 HZ PHE 15 HZ PHE 15 -1.576 -7.396 -1.685 116 H ASP 16 HN ASP 16 3.240 -2.234 2.462 117 HA ASP 16 HA ASP 16 5.545 -3.265 3.912 118 1HB ASP 16 2HB ASP 16 5.199 -0.318 3.275 119 2HB ASP 16 3HB ASP 16 6.652 -1.146 3.797 120 H HIS 17 HN HIS 17 4.875 -3.444 6.056 121 HA HIS 17 HA HIS 17 3.017 -1.389 7.018 122 1HB HIS 17 2HB HIS 17 2.036 -3.676 6.791 123 2HB HIS 17 3HB HIS 17 3.217 -4.269 7.942 124 HD1 HIS 17 HD1 HIS 17 3.098 -2.007 10.072 125 HD2 HIS 17 HD2 HIS 17 -0.271 -3.747 8.276 126 HE1 HIS 17 HE1 HIS 17 1.153 -1.622 11.677 127 H LYS 18 HN LYS 18 5.381 -3.869 8.256 128 HA LYS 18 HA LYS 18 5.980 -2.332 10.544 129 1HB LYS 18 2HB LYS 18 6.325 -4.935 9.794 130 2HB LYS 18 3HB LYS 18 7.961 -4.328 9.627 131 1HG LYS 18 2HG LYS 18 7.893 -3.436 11.948 132 2HG LYS 18 3HG LYS 18 6.232 -3.967 12.121 133 1HD LYS 18 2HD LYS 18 6.813 -6.245 12.204 134 2HD LYS 18 3HD LYS 18 8.300 -6.010 11.307 135 1HE LYS 18 2HE LYS 18 8.246 -4.527 13.874 136 2HE LYS 18 3HE LYS 18 8.106 -6.262 14.080 137 1HZ LYS 18 1HZ LYS 18 10.200 -6.529 13.467 138 2HZ LYS 18 2HZ LYS 18 10.079 -5.547 12.168 139 3HZ LYS 18 3HZ LYS 18 10.392 -4.917 13.642 140 H ALA 19 HN ALA 19 7.614 -2.827 7.357 141 HA ALA 19 HA ALA 19 9.863 -1.291 7.927 142 1HB ALA 19 1HB ALA 19 10.064 -1.178 5.446 143 2HB ALA 19 2HB ALA 19 9.704 -2.822 6.026 144 3HB ALA 19 3HB ALA 19 8.414 -1.830 5.304 145 H HIS 20 HN HIS 20 6.573 -0.426 6.768 146 HA HIS 20 HA HIS 20 7.302 2.290 6.321 147 1HB HIS 20 2HB HIS 20 4.760 0.694 6.254 148 2HB HIS 20 3HB HIS 20 4.670 2.444 6.285 149 HD1 HIS 20 HD1 HIS 20 7.604 1.100 4.444 150 HD2 HIS 20 HD2 HIS 20 3.651 2.208 3.581 151 HE1 HIS 20 HE1 HIS 20 7.459 1.312 1.905 152 H ALA 21 HN ALA 21 5.048 0.690 8.693 153 HA ALA 21 HA ALA 21 4.436 2.717 10.293 154 1HB ALA 21 1HB ALA 21 5.246 -0.128 10.960 155 2HB ALA 21 2HB ALA 21 4.616 0.986 12.197 156 3HB ALA 21 3HB ALA 21 3.609 0.551 10.795 157 H GLU 22 HN GLU 22 7.644 1.149 10.036 158 HA GLU 22 HA GLU 22 8.875 1.998 12.244 159 1HB GLU 22 2HB GLU 22 9.900 1.933 9.379 160 2HB GLU 22 3HB GLU 22 10.957 2.241 10.742 161 1HG GLU 22 2HG GLU 22 9.302 -0.072 11.337 162 2HG GLU 22 3HG GLU 22 10.045 -0.293 9.765 163 H LYS 23 HN LYS 23 8.510 3.948 9.196 164 HA LYS 23 HA LYS 23 9.082 6.325 10.826 165 1HB LYS 23 2HB LYS 23 9.392 6.104 7.826 166 2HB LYS 23 3HB LYS 23 9.983 7.370 8.883 167 1HG LYS 23 2HG LYS 23 10.879 4.540 9.433 168 2HG LYS 23 3HG LYS 23 11.574 5.367 8.052 169 1HD LYS 23 2HD LYS 23 13.026 6.363 9.483 170 2HD LYS 23 3HD LYS 23 11.678 7.296 10.103 171 1HE LYS 23 2HE LYS 23 11.235 5.068 11.541 172 2HE LYS 23 3HE LYS 23 12.939 4.797 11.236 173 1HZ LYS 23 1HZ LYS 23 11.688 6.797 12.857 174 2HZ LYS 23 2HZ LYS 23 13.164 6.114 12.999 175 3HZ LYS 23 3HZ LYS 23 12.933 7.348 11.954 176 H LEU 24 HN LEU 24 7.118 5.055 8.055 177 HA LEU 24 HA LEU 24 5.446 7.156 7.695 178 1HB LEU 24 2HB LEU 24 5.492 4.350 7.104 179 2HB LEU 24 3HB LEU 24 3.865 4.812 7.561 180 HG LEU 24 HG LEU 24 5.398 6.399 5.509 181 1HD1 LEU 24 1HD LEU 24 4.186 4.998 3.783 182 2HD1 LEU 24 2HD LEU 24 5.555 4.217 4.611 183 3HD1 LEU 24 3HD LEU 24 3.885 3.818 5.081 184 1HD2 LEU 24 1HD LEU 24 2.424 5.930 5.667 185 2HD2 LEU 24 2HD LEU 24 3.229 7.204 6.614 186 3HD2 LEU 24 3HD LEU 24 3.315 7.228 4.837 187 H GLY 25 HN GLY 25 3.967 4.364 9.379 188 1HA GLY 25 1HA GLY 25 3.571 4.822 11.863 189 2HA GLY 25 2HA GLY 25 2.786 6.278 11.285 190 H CYS 26 HN CYS 26 0.920 5.159 12.510 191 HA CYS 26 HA CYS 26 -0.259 2.975 11.031 192 1HB CYS 26 2HB CYS 26 -1.634 4.300 13.325 193 2HB CYS 26 3HB CYS 26 -1.634 2.617 12.837 194 H ASP 27 HN ASP 27 -1.370 6.204 12.316 195 HA ASP 27 HA ASP 27 -3.645 6.496 11.032 196 1HB ASP 27 2HB ASP 27 -1.801 8.207 12.270 197 2HB ASP 27 3HB ASP 27 -1.964 8.906 10.671 198 H ALA 28 HN ALA 28 -0.386 6.480 9.615 199 HA ALA 28 HA ALA 28 -0.578 7.797 7.295 200 1HB ALA 28 1HB ALA 28 1.434 6.781 7.275 201 2HB ALA 28 2HB ALA 28 0.857 5.458 8.316 202 3HB ALA 28 3HB ALA 28 0.611 5.376 6.555 203 H CYS 29 HN CYS 29 -1.641 4.340 7.718 204 HA CYS 29 HA CYS 29 -3.285 4.713 5.336 205 1HB CYS 29 2HB CYS 29 -2.958 2.029 6.568 206 2HB CYS 29 3HB CYS 29 -3.093 2.490 4.882 207 H HIS 30 HN HIS 30 -3.255 3.659 8.788 208 HA HIS 30 HA HIS 30 -6.149 3.447 8.733 209 1HB HIS 30 2HB HIS 30 -4.403 2.970 11.139 210 2HB HIS 30 3HB HIS 30 -5.984 2.306 10.778 211 HD1 HIS 30 HD1 HIS 30 -6.106 0.226 9.221 212 HD2 HIS 30 HD2 HIS 30 -2.217 1.659 9.870 213 HE1 HIS 30 HE1 HIS 30 -4.525 -1.580 8.354 214 H GLU 31 HN GLU 31 -6.319 4.169 11.645 215 HA GLU 31 HA GLU 31 -5.520 6.912 11.697 216 1HB GLU 31 2HB GLU 31 -8.492 6.236 11.801 217 2HB GLU 31 3HB GLU 31 -7.786 7.831 11.964 218 1HG GLU 31 2HG GLU 31 -6.805 7.569 9.633 219 2HG GLU 31 3HG GLU 31 -7.673 6.054 9.482 220 H GLY 32 HN GLY 32 -8.144 6.932 13.654 221 1HA GLY 32 1HA GLY 32 -6.638 6.516 16.027 222 2HA GLY 32 2HA GLY 32 -8.355 6.845 15.897 223 H THR 33 HN THR 33 -8.212 4.344 13.847 224 HA THR 33 HA THR 33 -7.899 2.196 15.770 225 HB THR 33 HB THR 33 -10.570 3.074 14.575 226 HG1 THR 33 HG1 THR 33 -9.900 3.852 16.702 227 1HG2 THR 33 1HG THR 33 -11.544 0.993 15.307 228 2HG2 THR 33 2HG THR 33 -10.118 0.518 14.353 229 3HG2 THR 33 3HG THR 33 -10.046 0.499 16.131 230 HA PRO 34 HA PRO 34 -6.475 0.777 11.880 231 1HB PRO 34 2HB PRO 34 -4.767 -1.117 12.860 232 2HB PRO 34 3HB PRO 34 -4.298 0.550 12.595 233 1HG PRO 34 2HG PRO 34 -4.879 -0.827 15.144 234 2HG PRO 34 3HG PRO 34 -4.017 0.675 14.879 235 1HD PRO 34 2HD PRO 34 -6.707 0.386 15.830 236 2HD PRO 34 3HD PRO 34 -5.883 1.887 15.456 237 H ALA 35 HN ALA 35 -6.429 -1.306 10.660 238 HA ALA 35 HA ALA 35 -7.556 -3.590 11.674 239 1HB ALA 35 1HB ALA 35 -9.485 -1.570 11.658 240 2HB ALA 35 2HB ALA 35 -9.817 -2.491 10.170 241 3HB ALA 35 3HB ALA 35 -9.794 -3.321 11.745 242 H LYS 36 HN LYS 36 -8.378 -5.051 9.823 243 HA LYS 36 HA LYS 36 -6.524 -4.935 7.747 244 1HB LYS 36 2HB LYS 36 -7.226 -7.072 8.143 245 2HB LYS 36 3HB LYS 36 -8.884 -6.602 8.462 246 1HG LYS 36 2HG LYS 36 -9.394 -6.375 6.124 247 2HG LYS 36 3HG LYS 36 -7.701 -6.360 5.670 248 1HD LYS 36 2HD LYS 36 -8.663 -8.796 7.137 249 2HD LYS 36 3HD LYS 36 -9.265 -8.585 5.505 250 1HE LYS 36 2HE LYS 36 -7.066 -8.620 4.557 251 2HE LYS 36 3HE LYS 36 -6.297 -8.308 6.100 252 1HZ LYS 36 1HZ LYS 36 -7.443 -10.529 6.718 253 2HZ LYS 36 2HZ LYS 36 -7.433 -10.784 5.105 254 3HZ LYS 36 3HZ LYS 36 -6.029 -10.535 5.901 255 H ILE 37 HN ILE 37 -6.475 -3.880 5.825 256 HA ILE 37 HA ILE 37 -8.837 -2.296 5.175 257 HB ILE 37 HB ILE 37 -6.043 -2.123 4.046 258 1HG1 ILE 37 2HG ILE 37 -7.224 -0.392 6.230 259 2HG1 ILE 37 3HG ILE 37 -6.204 -1.780 6.557 260 1HG2 ILE 37 1HG ILE 37 -8.379 -1.062 3.066 261 2HG2 ILE 37 2HG ILE 37 -7.749 0.262 4.073 262 3HG2 ILE 37 3HG ILE 37 -6.743 -0.424 2.775 263 1HD1 ILE 37 1HD ILE 37 -4.292 -0.755 5.749 264 2HD1 ILE 37 2HD ILE 37 -5.185 0.186 4.530 265 3HD1 ILE 37 3HD ILE 37 -5.194 0.702 6.234 266 H ALA 38 HN ALA 38 -8.854 -5.199 4.800 267 HA ALA 38 HA ALA 38 -8.888 -6.773 3.154 268 1HB ALA 38 1HB ALA 38 -10.972 -4.683 2.889 269 2HB ALA 38 2HB ALA 38 -10.800 -5.749 1.475 270 3HB ALA 38 3HB ALA 38 -11.136 -6.445 3.079 271 H ILE 39 HN ILE 39 -6.759 -6.688 2.234 272 HA ILE 39 HA ILE 39 -6.341 -4.865 0.033 273 HB ILE 39 HB ILE 39 -4.653 -6.875 1.494 274 1HG1 ILE 39 2HG ILE 39 -4.956 -4.714 2.571 275 2HG1 ILE 39 3HG ILE 39 -3.300 -4.906 2.027 276 1HG2 ILE 39 1HG ILE 39 -3.417 -7.236 -0.313 277 2HG2 ILE 39 2HG ILE 39 -4.366 -6.073 -1.269 278 3HG2 ILE 39 3HG ILE 39 -2.985 -5.509 -0.297 279 1HD1 ILE 39 1HD ILE 39 -5.310 -2.925 1.212 280 2HD1 ILE 39 2HD ILE 39 -3.543 -2.898 0.995 281 3HD1 ILE 39 3HD ILE 39 -4.572 -3.742 -0.187 282 H ASP 40 HN ASP 40 -7.046 -5.297 -1.981 283 HA ASP 40 HA ASP 40 -6.477 -7.658 -3.260 284 1HB ASP 40 2HB ASP 40 -8.985 -7.680 -1.719 285 2HB ASP 40 3HB ASP 40 -9.285 -7.944 -3.425 286 H LYS 41 HN LYS 41 -7.868 -7.736 -5.454 287 HA LYS 41 HA LYS 41 -7.582 -5.476 -6.848 288 1HB LYS 41 2HB LYS 41 -9.417 -7.821 -7.107 289 2HB LYS 41 3HB LYS 41 -9.693 -6.450 -8.163 290 1HG LYS 41 2HG LYS 41 -7.732 -6.775 -9.335 291 2HG LYS 41 3HG LYS 41 -6.835 -7.272 -7.913 292 1HD LYS 41 2HD LYS 41 -6.958 -9.316 -9.012 293 2HD LYS 41 3HD LYS 41 -8.420 -9.424 -8.050 294 1HE LYS 41 2HE LYS 41 -9.161 -10.003 -10.225 295 2HE LYS 41 3HE LYS 41 -9.632 -8.321 -10.080 296 1HZ LYS 41 1HZ LYS 41 -7.520 -7.765 -11.187 297 2HZ LYS 41 2HZ LYS 41 -7.246 -9.355 -11.442 298 3HZ LYS 41 3HZ LYS 41 -8.536 -8.628 -12.131 299 H LYS 42 HN LYS 42 -8.947 -3.713 -7.559 300 HA LYS 42 HA LYS 42 -10.400 -2.074 -7.277 301 1HB LYS 42 2HB LYS 42 -11.960 -4.303 -5.983 302 2HB LYS 42 3HB LYS 42 -12.569 -2.661 -5.955 303 1HG LYS 42 2HG LYS 42 -12.937 -2.600 -8.247 304 2HG LYS 42 3HG LYS 42 -11.573 -3.640 -8.608 305 1HD LYS 42 2HD LYS 42 -12.930 -5.566 -7.542 306 2HD LYS 42 3HD LYS 42 -14.306 -4.482 -7.551 307 1HE LYS 42 2HE LYS 42 -13.371 -4.206 -10.150 308 2HE LYS 42 3HE LYS 42 -12.993 -5.885 -9.821 309 1HZ LYS 42 1HZ LYS 42 -15.505 -5.483 -8.826 310 2HZ LYS 42 2HZ LYS 42 -15.500 -4.708 -10.263 311 3HZ LYS 42 3HZ LYS 42 -15.111 -6.291 -10.189 312 H SER 43 HN SER 43 -10.620 -3.824 -4.097 313 HA SER 43 HA SER 43 -10.645 -1.573 -2.575 314 1HB SER 43 2HB SER 43 -10.174 -4.442 -2.172 315 2HB SER 43 3HB SER 43 -9.247 -3.480 -1.038 316 HG SER 43 HG SER 43 -11.580 -2.299 -0.974 317 H ALA 44 HN ALA 44 -7.750 -3.765 -2.882 318 HA ALA 44 HA ALA 44 -5.941 -1.933 -1.864 319 1HB ALA 44 1HB ALA 44 -5.692 -4.337 -3.697 320 2HB ALA 44 2HB ALA 44 -4.272 -3.431 -3.123 321 3HB ALA 44 3HB ALA 44 -5.349 -4.234 -1.954 322 H HIS 45 HN HIS 45 -7.621 -1.996 -4.902 323 HA HIS 45 HA HIS 45 -5.593 -0.372 -6.190 324 1HB HIS 45 2HB HIS 45 -7.963 -1.941 -7.056 325 2HB HIS 45 3HB HIS 45 -7.625 -0.489 -7.976 326 HD1 HIS 45 HD1 HIS 45 -7.250 -2.676 -9.758 327 HD2 HIS 45 HD2 HIS 45 -4.246 -1.779 -6.972 328 HE1 HIS 45 HE1 HIS 45 -5.112 -3.755 -10.640 329 H LYS 46 HN LYS 46 -7.853 0.163 -3.874 330 HA LYS 46 HA LYS 46 -8.659 2.738 -5.035 331 1HB LYS 46 2HB LYS 46 -10.154 0.679 -3.683 332 2HB LYS 46 3HB LYS 46 -10.205 2.149 -2.730 333 1HG LYS 46 2HG LYS 46 -10.966 3.446 -4.695 334 2HG LYS 46 3HG LYS 46 -10.806 2.036 -5.724 335 1HD LYS 46 2HD LYS 46 -12.522 0.846 -4.300 336 2HD LYS 46 3HD LYS 46 -12.718 2.309 -3.356 337 1HE LYS 46 2HE LYS 46 -14.299 2.950 -4.859 338 2HE LYS 46 3HE LYS 46 -12.997 3.212 -6.002 339 1HZ LYS 46 1HZ LYS 46 -13.956 0.501 -5.690 340 2HZ LYS 46 2HZ LYS 46 -14.925 1.549 -6.481 341 3HZ LYS 46 3HZ LYS 46 -13.413 1.263 -7.028 342 H ASP 47 HN ASP 47 -9.412 3.924 -2.526 343 HA ASP 47 HA ASP 47 -7.273 5.275 -1.835 344 1HB ASP 47 2HB ASP 47 -9.436 4.204 0.032 345 2HB ASP 47 3HB ASP 47 -8.296 5.443 0.516 346 H ALA 48 HN ALA 48 -8.039 1.914 -0.951 347 HA ALA 48 HA ALA 48 -6.657 1.351 1.246 348 1HB ALA 48 1HB ALA 48 -7.808 -0.330 -0.088 349 2HB ALA 48 2HB ALA 48 -6.615 -0.158 -1.397 350 3HB ALA 48 3HB ALA 48 -6.125 -0.848 0.169 351 H CYS 49 HN CYS 49 -5.076 1.326 -2.035 352 HA CYS 49 HA CYS 49 -2.548 1.782 -0.651 353 1HB CYS 49 2HB CYS 49 -3.253 0.009 -2.670 354 2HB CYS 49 3HB CYS 49 -2.400 1.280 -3.522 355 H LYS 50 HN LYS 50 -3.753 2.617 -3.972 356 HA LYS 50 HA LYS 50 -2.383 4.874 -4.378 357 1HB LYS 50 2HB LYS 50 -4.239 5.586 -5.860 358 2HB LYS 50 3HB LYS 50 -3.781 3.909 -6.076 359 1HG LYS 50 2HG LYS 50 -5.812 3.132 -5.358 360 2HG LYS 50 3HG LYS 50 -5.878 4.260 -4.018 361 1HD LYS 50 2HD LYS 50 -6.141 5.686 -6.560 362 2HD LYS 50 3HD LYS 50 -7.331 4.404 -6.456 363 1HE LYS 50 2HE LYS 50 -7.349 5.581 -3.882 364 2HE LYS 50 3HE LYS 50 -7.202 6.940 -4.977 365 1HZ LYS 50 1HZ LYS 50 -9.453 6.544 -4.826 366 2HZ LYS 50 2HZ LYS 50 -9.069 5.818 -6.238 367 3HZ LYS 50 3HZ LYS 50 -9.309 4.919 -4.894 368 H THR 51 HN THR 51 -1.923 6.276 -2.709 369 HA THR 51 HA THR 51 -3.789 8.255 -2.093 370 HB THR 51 HB THR 51 -4.614 6.085 -0.777 371 HG1 THR 51 HG1 THR 51 -5.674 7.868 -0.008 372 1HG2 THR 51 1HG THR 51 -2.749 7.301 1.294 373 2HG2 THR 51 2HG THR 51 -3.630 5.756 1.363 374 3HG2 THR 51 3HG THR 51 -2.205 5.921 0.312 375 H CYS 52 HN CYS 52 -0.889 6.388 -1.125 376 HA CYS 52 HA CYS 52 0.275 8.911 -0.220 377 1HB CYS 52 2HB CYS 52 0.184 6.658 1.171 378 2HB CYS 52 3HB CYS 52 1.606 6.272 0.223 379 H HIS 53 HN HIS 53 1.355 5.812 -1.814 380 HA HIS 53 HA HIS 53 3.591 6.611 -2.990 381 1HB HIS 53 2HB HIS 53 1.398 4.787 -3.930 382 2HB HIS 53 3HB HIS 53 2.767 5.095 -4.980 383 HD1 HIS 53 HD1 HIS 53 4.086 2.959 -4.829 384 HD2 HIS 53 HD2 HIS 53 2.966 4.418 -1.059 385 HE1 HIS 53 HE1 HIS 53 5.241 1.466 -3.113 386 H LYS 54 HN LYS 54 0.268 7.205 -4.307 387 HA LYS 54 HA LYS 54 1.323 8.735 -6.484 388 1HB LYS 54 2HB LYS 54 -1.537 8.448 -5.520 389 2HB LYS 54 3HB LYS 54 -1.015 9.075 -7.071 390 1HG LYS 54 2HG LYS 54 -0.489 6.979 -7.907 391 2HG LYS 54 3HG LYS 54 0.049 6.370 -6.354 392 1HD LYS 54 2HD LYS 54 -1.962 5.177 -6.748 393 2HD LYS 54 3HD LYS 54 -2.451 6.443 -5.640 394 1HE LYS 54 2HE LYS 54 -2.601 7.058 -8.586 395 2HE LYS 54 3HE LYS 54 -3.788 5.943 -7.938 396 1HZ LYS 54 1HZ LYS 54 -3.583 8.071 -6.182 397 2HZ LYS 54 2HZ LYS 54 -3.721 8.703 -7.683 398 3HZ LYS 54 3HZ LYS 54 -4.853 7.667 -7.125 399 H SER 55 HN SER 55 2.657 10.030 -4.777 400 HA SER 55 HA SER 55 1.576 12.570 -4.715 401 1HB SER 55 2HB SER 55 0.228 11.445 -2.827 402 2HB SER 55 3HB SER 55 1.729 11.356 -1.927 403 HG SER 55 HG SER 55 1.637 13.871 -2.754 404 H ASN 56 HN ASN 56 3.712 10.246 -2.931 405 HA ASN 56 HA ASN 56 5.756 12.303 -2.904 406 1HB ASN 56 2HB ASN 56 5.091 10.907 -0.807 407 2HB ASN 56 3HB ASN 56 5.879 9.549 -1.584 408 1HD2 ASN 56 1HD ASN 56 8.092 9.531 -1.896 409 2HD2 ASN 56 2HD ASN 56 9.177 10.598 -1.070 410 H ASN 57 HN ASN 57 5.484 8.687 -3.368 411 HA ASN 57 HA ASN 57 7.814 8.164 -4.507 412 1HB ASN 57 2HB ASN 57 5.087 7.037 -4.683 413 2HB ASN 57 3HB ASN 57 6.014 6.710 -6.134 414 1HD2 ASN 57 1HD ASN 57 6.365 4.588 -5.850 415 2HD2 ASN 57 2HD ASN 57 7.309 3.890 -4.576 416 H GLY 58 HN GLY 58 8.308 7.701 -6.954 417 1HA GLY 58 1HA GLY 58 7.890 10.109 -8.444 418 2HA GLY 58 2HA GLY 58 8.775 8.680 -8.940 419 HA PRO 59 HA PRO 59 5.316 7.203 -11.140 420 1HB PRO 59 2HB PRO 59 4.861 4.615 -10.390 421 2HB PRO 59 3HB PRO 59 6.159 5.086 -11.471 422 1HG PRO 59 2HG PRO 59 6.311 4.294 -8.627 423 2HG PRO 59 3HG PRO 59 7.593 4.351 -9.821 424 1HD PRO 59 2HD PRO 59 7.113 6.249 -7.724 425 2HD PRO 59 3HD PRO 59 8.322 6.367 -8.988 426 H THR 60 HN THR 60 3.034 6.171 -11.222 427 HA THR 60 HA THR 60 1.691 6.654 -8.676 428 HB THR 60 HB THR 60 1.583 8.369 -11.117 429 HG1 THR 60 HG1 THR 60 1.516 9.772 -9.382 430 1HG2 THR 60 1HG THR 60 -0.877 7.158 -9.860 431 2HG2 THR 60 2HG THR 60 -0.890 8.914 -10.154 432 3HG2 THR 60 3HG THR 60 -0.648 7.786 -11.510 433 H LYS 61 HN LYS 61 1.463 5.609 -12.122 434 HA LYS 61 HA LYS 61 -0.453 3.587 -11.185 435 1HB LYS 61 2HB LYS 61 -1.786 3.911 -12.998 436 2HB LYS 61 3HB LYS 61 -1.151 5.537 -12.849 437 1HG LYS 61 2HG LYS 61 0.666 4.940 -14.502 438 2HG LYS 61 3HG LYS 61 -0.063 3.358 -14.694 439 1HD LYS 61 2HD LYS 61 -1.371 4.254 -16.317 440 2HD LYS 61 3HD LYS 61 -2.224 5.121 -15.057 441 1HE LYS 61 2HE LYS 61 -0.849 7.085 -15.326 442 2HE LYS 61 3HE LYS 61 0.345 6.216 -16.269 443 1HZ LYS 61 1HZ LYS 61 -2.050 5.900 -17.569 444 2HZ LYS 61 2HZ LYS 61 -1.986 7.478 -17.154 445 3HZ LYS 61 3HZ LYS 61 -0.784 6.818 -18.041 446 H CYS 62 HN CYS 62 0.056 1.467 -11.550 447 HA CYS 62 HA CYS 62 1.181 -0.305 -12.196 448 1HB CYS 62 2HB CYS 62 2.217 1.420 -14.457 449 2HB CYS 62 3HB CYS 62 2.430 -0.314 -14.332 450 H GLY 63 HN GLY 63 3.567 2.204 -13.286 451 1HA GLY 63 1HA GLY 63 5.813 1.080 -12.189 452 2HA GLY 63 2HA GLY 63 5.590 2.791 -12.492 453 H GLY 64 HN GLY 64 3.135 2.670 -10.545 454 1HA GLY 64 1HA GLY 64 4.472 3.635 -8.270 455 2HA GLY 64 2HA GLY 64 2.775 3.216 -8.395 456 H CYS 65 HN CYS 65 2.026 1.129 -7.752 457 HA CYS 65 HA CYS 65 3.570 -0.069 -5.742 458 1HB CYS 65 2HB CYS 65 0.991 -0.804 -7.110 459 2HB CYS 65 3HB CYS 65 1.731 -1.875 -5.936 460 H HIS 66 HN HIS 66 2.412 -1.300 -8.975 461 HA HIS 66 HA HIS 66 4.015 -3.584 -8.903 462 1HB HIS 66 2HB HIS 66 2.701 -2.098 -11.191 463 2HB HIS 66 3HB HIS 66 3.521 -3.635 -11.384 464 HD1 HIS 66 HD1 HIS 66 2.258 -5.752 -10.718 465 HD2 HIS 66 HD2 HIS 66 0.295 -2.228 -9.570 466 HE1 HIS 66 HE1 HIS 66 -0.062 -6.454 -9.921 467 H ILE 67 HN ILE 67 6.009 -4.087 -9.958 468 HA ILE 67 HA ILE 67 7.486 -1.794 -10.996 469 HB ILE 67 HB ILE 67 8.390 -3.590 -8.746 470 1HG1 ILE 67 2HG ILE 67 8.189 -0.569 -8.850 471 2HG1 ILE 67 3HG ILE 67 6.919 -1.601 -8.223 472 1HG2 ILE 67 1HG ILE 67 10.467 -1.993 -8.955 473 2HG2 ILE 67 2HG ILE 67 10.345 -3.469 -9.942 474 3HG2 ILE 67 3HG ILE 67 9.947 -1.887 -10.655 475 1HD1 ILE 67 1HD ILE 67 8.052 -2.032 -6.286 476 2HD1 ILE 67 2HD ILE 67 9.603 -2.238 -7.134 477 3HD1 ILE 67 3HD ILE 67 9.021 -0.606 -6.729 478 H LYS 68 HN LYS 68 6.796 -2.950 -13.006 479 HA LYS 68 HA LYS 68 8.900 -4.699 -13.814 480 1HB LYS 68 2HB LYS 68 7.222 -6.205 -12.603 481 2HB LYS 68 3HB LYS 68 6.114 -5.870 -13.919 482 1HG LYS 68 2HG LYS 68 7.133 -7.463 -15.165 483 2HG LYS 68 3HG LYS 68 8.608 -6.517 -15.149 484 1HD LYS 68 2HD LYS 68 9.003 -7.565 -12.772 485 2HD LYS 68 3HD LYS 68 7.777 -8.727 -13.237 486 1HE LYS 68 2HE LYS 68 9.808 -9.765 -13.902 487 2HE LYS 68 3HE LYS 68 9.178 -9.102 -15.397 488 1HZ LYS 68 1HZ LYS 68 11.525 -8.602 -14.997 489 2HZ LYS 68 2HZ LYS 68 10.625 -7.251 -15.179 490 3HZ LYS 68 3HZ LYS 68 11.121 -7.707 -13.692 491 HHA HEC 98 HGM HEC 98 -4.701 -4.701 8.721 492 HHB HEC 98 HDM HEC 98 -2.597 -1.605 13.717 493 HHC HEC 98 HAM HEC 98 1.347 1.598 9.937 494 HHD HEC 98 HBM HEC 98 -1.199 -1.262 5.022 495 1HMA HEC 98 1HM HEC 98 -4.520 -3.105 14.352 496 2HMA HEC 98 2HM HEC 98 -4.822 -4.806 13.926 497 3HMA HEC 98 3HM HEC 98 -3.181 -4.278 14.366 498 1HAA HEC 98 1HA HEC 98 -5.440 -5.882 12.181 499 2HAA HEC 98 2HA HEC 98 -5.897 -5.373 10.539 500 1HBA HEC 98 3HB HEC 98 -4.830 -7.279 9.803 501 2HBA HEC 98 4HB HEC 98 -3.308 -6.444 10.193 502 1HMB HEC 98 1HM HEC 98 -0.322 0.563 15.174 503 2HMB HEC 98 2HM HEC 98 -1.711 1.530 14.626 504 3HMB HEC 98 3HM HEC 98 -1.897 -0.218 14.902 505 HAB HEC 98 HT2 HEC 98 1.639 2.323 11.789 506 1HBB HEC 98 1HT HEC 98 2.822 0.621 12.948 507 2HBB HEC 98 2HT HEC 98 3.080 2.249 13.619 508 3HBB HEC 98 3HT HEC 98 2.024 1.095 14.467 509 1HMC HEC 98 1HM HEC 98 2.725 2.073 8.421 510 2HMC HEC 98 2HM HEC 98 2.733 2.192 6.646 511 3HMC HEC 98 3HM HEC 98 1.660 3.239 7.602 512 HAC HEC 98 HT4 HEC 98 -0.518 1.392 4.555 513 1HBC HEC 98 1HT HEC 98 1.248 -0.884 4.544 514 2HBC HEC 98 2HT HEC 98 0.206 -0.273 3.237 515 3HBC HEC 98 3HT HEC 98 1.872 0.331 3.403 516 1HMD HEC 98 1HM HEC 98 -2.514 -2.009 3.611 517 2HMD HEC 98 2HM HEC 98 -2.164 -3.753 3.626 518 3HMD HEC 98 3HM HEC 98 -3.849 -3.185 3.577 519 1HAD HEC 98 1HA HEC 98 -4.955 -5.495 6.611 520 2HAD HEC 98 2HA HEC 98 -4.939 -4.814 4.967 521 1HBD HEC 98 3HB HEC 98 -2.699 -5.838 4.629 522 2HBD HEC 98 4HB HEC 98 -2.869 -6.622 6.219 523 HHA HEC 128 HGM HEC 128 9.302 2.492 -0.620 524 HHB HEC 128 HDM HEC 128 4.972 -1.690 -2.275 525 HHC HEC 128 HAM HEC 128 0.683 1.608 1.018 526 HHD HEC 128 HBM HEC 128 5.032 5.915 2.179 527 1HMA HEC 128 1HM HEC 128 7.690 -2.004 -3.589 528 2HMA HEC 128 2HM HEC 128 8.739 -2.504 -2.241 529 3HMA HEC 128 3HM HEC 128 6.994 -2.841 -2.181 530 1HAA HEC 128 1HA HEC 128 10.246 -0.741 -2.171 531 2HAA HEC 128 2HA HEC 128 10.276 1.020 -1.918 532 1HBA HEC 128 3HB HEC 128 10.875 0.823 0.329 533 2HBA HEC 128 4HB HEC 128 9.916 -0.659 0.558 534 1HMB HEC 128 1HM HEC 128 1.277 -2.196 -2.758 535 2HMB HEC 128 2HM HEC 128 2.957 -2.008 -3.313 536 3HMB HEC 128 3HM HEC 128 2.579 -3.129 -1.984 537 HAB HEC 128 HT2 HEC 128 -0.325 0.099 0.135 538 1HBB HEC 128 1HT HEC 128 0.743 -2.120 1.130 539 2HBB HEC 128 2HT HEC 128 -0.962 -1.619 1.226 540 3HBB HEC 128 3HT HEC 128 -0.443 -2.773 -0.025 541 1HMC HEC 128 1HM HEC 128 -0.440 4.727 2.087 542 2HMC HEC 128 2HM HEC 128 -0.465 2.982 1.742 543 3HMC HEC 128 3HM HEC 128 -0.052 3.561 3.373 544 HAC HEC 128 HT4 HEC 128 3.086 6.693 2.980 545 1HBC HEC 128 1HT HEC 128 1.377 7.145 4.396 546 2HBC HEC 128 2HT HEC 128 0.142 6.817 3.158 547 3HBC HEC 128 3HT HEC 128 0.857 5.474 4.079 548 1HMD HEC 128 1HM HEC 128 6.496 7.267 2.172 549 2HMD HEC 128 2HM HEC 128 7.978 6.702 2.981 550 3HMD HEC 128 3HM HEC 128 8.075 7.449 1.369 551 1HAD HEC 128 1HA HEC 128 10.376 4.138 0.494 552 2HAD HEC 128 2HA HEC 128 10.009 5.876 0.591 553 1HBD HEC 128 3HB HEC 128 9.943 5.834 2.943 554 2HBD HEC 128 4HB HEC 128 9.890 4.055 2.989 555 HHA HEC 158 HGM HEC 158 -3.044 -7.504 -7.408 556 HHB HEC 158 HDM HEC 158 -2.427 -5.422 -13.260 557 HHC HEC 158 HAM HEC 158 -1.464 0.404 -10.973 558 HHD HEC 158 HBM HEC 158 -1.652 -1.939 -5.202 559 1HMA HEC 158 1HM HEC 158 -4.600 -8.223 -12.596 560 2HMA HEC 158 2HM HEC 158 -3.353 -7.287 -13.455 561 3HMA HEC 158 3HM HEC 158 -2.922 -8.814 -12.649 562 1HAA HEC 158 1HA HEC 158 -4.004 -8.837 -8.406 563 2HAA HEC 158 2HA HEC 158 -4.935 -9.123 -9.895 564 1HBA HEC 158 3HB HEC 158 -2.615 -9.810 -10.954 565 2HBA HEC 158 4HB HEC 158 -2.057 -9.948 -9.269 566 1HMB HEC 158 1HM HEC 158 -0.817 -4.184 -14.772 567 2HMB HEC 158 2HM HEC 158 -2.493 -3.765 -15.194 568 3HMB HEC 158 3HM HEC 158 -1.191 -2.578 -15.441 569 HAB HEC 158 HT2 HEC 158 -0.602 0.258 -13.244 570 1HBB HEC 158 1HT HEC 158 -2.809 0.891 -12.445 571 2HBB HEC 158 2HT HEC 158 -2.195 1.767 -13.868 572 3HBB HEC 158 3HT HEC 158 -3.441 0.511 -14.065 573 1HMC HEC 158 1HM HEC 158 -1.044 1.987 -10.031 574 2HMC HEC 158 2HM HEC 158 -1.776 2.617 -8.536 575 3HMC HEC 158 3HM HEC 158 -0.027 2.303 -8.605 576 HAC HEC 158 HT4 HEC 158 -1.051 0.194 -5.029 577 1HBC HEC 158 1HT HEC 158 -0.625 2.743 -6.651 578 2HBC HEC 158 2HT HEC 158 -2.067 2.322 -5.695 579 3HBC HEC 158 3HT HEC 158 -0.514 2.624 -4.878 580 1HMD HEC 158 1HM HEC 158 -0.931 -4.052 -3.261 581 2HMD HEC 158 2HM HEC 158 -2.255 -2.873 -3.415 582 3HMD HEC 158 3HM HEC 158 -2.604 -4.539 -2.896 583 1HAD HEC 158 1HA HEC 158 -2.844 -6.487 -3.543 584 2HAD HEC 158 2HA HEC 158 -4.248 -6.732 -4.609 585 1HBD HEC 158 3HB HEC 158 -1.833 -7.894 -5.721 586 2HBD HEC 158 4HB HEC 158 -2.203 -8.532 -4.101 Start of MODEL 19 1 H ALA 1 HN ALA 1 2.371 -5.965 10.122 2 HA ALA 1 HA ALA 1 2.697 -7.870 11.677 3 1HB ALA 1 1HB ALA 1 3.312 -10.002 10.738 4 2HB ALA 1 2HB ALA 1 1.809 -9.483 9.936 5 3HB ALA 1 3HB ALA 1 3.368 -9.325 9.093 6 H ASP 2 HN ASP 2 4.205 -6.478 8.789 7 HA ASP 2 HA ASP 2 6.254 -5.333 10.043 8 1HB ASP 2 2HB ASP 2 6.719 -8.206 9.840 9 2HB ASP 2 3HB ASP 2 7.920 -7.351 8.892 10 H VAL 3 HN VAL 3 6.058 -7.724 7.285 11 HA VAL 3 HA VAL 3 6.019 -5.578 5.376 12 HB VAL 3 HB VAL 3 8.378 -5.658 5.794 13 1HG1 VAL 3 1HG VAL 3 7.930 -8.588 5.816 14 2HG1 VAL 3 2HG VAL 3 9.429 -8.044 5.025 15 3HG1 VAL 3 3HG VAL 3 9.102 -7.596 6.716 16 1HG2 VAL 3 1HG VAL 3 8.693 -7.133 3.348 17 2HG2 VAL 3 2HG VAL 3 7.184 -6.193 3.273 18 3HG2 VAL 3 3HG VAL 3 8.728 -5.373 3.611 19 H VAL 4 HN VAL 4 3.881 -6.842 5.421 20 HA VAL 4 HA VAL 4 3.771 -9.490 4.578 21 HB VAL 4 HB VAL 4 1.749 -7.321 4.004 22 1HG1 VAL 4 1HG VAL 4 0.246 -9.394 4.651 23 2HG1 VAL 4 2HG VAL 4 0.908 -9.224 3.008 24 3HG1 VAL 4 3HG VAL 4 1.691 -10.317 4.175 25 1HG2 VAL 4 1HG VAL 4 2.586 -8.561 6.595 26 2HG2 VAL 4 2HG VAL 4 2.015 -6.912 6.245 27 3HG2 VAL 4 3HG VAL 4 0.853 -8.258 6.327 28 H THR 5 HN THR 5 2.645 -10.098 2.368 29 HA THR 5 HA THR 5 3.517 -8.441 0.163 30 HB THR 5 HB THR 5 4.826 -11.069 0.955 31 HG1 THR 5 HG1 THR 5 5.569 -8.458 -0.167 32 1HG2 THR 5 1HG THR 5 4.017 -11.296 -1.444 33 2HG2 THR 5 2HG THR 5 4.870 -9.781 -1.824 34 3HG2 THR 5 3HG THR 5 5.789 -11.215 -1.308 35 H TYR 6 HN TYR 6 2.844 -9.455 -1.978 36 HA TYR 6 HA TYR 6 0.794 -11.458 -1.790 37 1HB TYR 6 2HB TYR 6 0.352 -8.458 -2.085 38 2HB TYR 6 3HB TYR 6 -0.687 -9.514 -3.020 39 HD1 TYR 6 HD1 TYR 6 0.171 -8.336 0.346 40 HD2 TYR 6 HD2 TYR 6 -2.322 -10.980 -1.911 41 HE1 TYR 6 HE1 TYR 6 -1.341 -8.645 2.366 42 HE2 TYR 6 HE2 TYR 6 -3.826 -11.281 0.116 43 HH TYR 6 HH TYR 6 -4.240 -10.693 2.150 44 H GLU 7 HN GLU 7 2.621 -12.282 -3.217 45 HA GLU 7 HA GLU 7 3.065 -11.002 -5.669 46 1HB GLU 7 2HB GLU 7 4.274 -13.069 -6.269 47 2HB GLU 7 3HB GLU 7 4.700 -12.546 -4.651 48 1HG GLU 7 2HG GLU 7 4.305 -14.812 -4.262 49 2HG GLU 7 3HG GLU 7 2.718 -14.155 -3.907 50 H ASN 8 HN ASN 8 2.304 -11.548 -7.797 51 HA ASN 8 HA ASN 8 0.004 -13.329 -7.789 52 1HB ASN 8 2HB ASN 8 -0.887 -11.615 -9.620 53 2HB ASN 8 3HB ASN 8 -1.131 -11.267 -7.921 54 1HD2 ASN 8 1HD ASN 8 -0.337 -9.472 -7.071 55 2HD2 ASN 8 2HD ASN 8 0.737 -8.356 -7.844 56 H LYS 9 HN LYS 9 -0.629 -13.580 -10.381 57 HA LYS 9 HA LYS 9 1.579 -14.839 -11.552 58 1HB LYS 9 2HB LYS 9 -1.258 -14.356 -12.191 59 2HB LYS 9 3HB LYS 9 -0.225 -14.507 -13.599 60 1HG LYS 9 2HG LYS 9 -0.747 -16.752 -13.194 61 2HG LYS 9 3HG LYS 9 0.770 -16.607 -12.329 62 1HD LYS 9 2HD LYS 9 -0.939 -15.842 -10.342 63 2HD LYS 9 3HD LYS 9 -2.015 -16.885 -11.251 64 1HE LYS 9 2HE LYS 9 0.672 -18.070 -10.895 65 2HE LYS 9 3HE LYS 9 -0.118 -17.726 -9.368 66 1HZ LYS 9 1HZ LYS 9 -1.842 -18.916 -11.305 67 2HZ LYS 9 2HZ LYS 9 -0.590 -19.873 -10.879 68 3HZ LYS 9 3HZ LYS 9 -1.611 -19.307 -9.736 69 H LYS 10 HN LYS 10 -0.215 -11.851 -12.597 70 HA LYS 10 HA LYS 10 1.422 -11.105 -14.624 71 1HB LYS 10 2HB LYS 10 -0.061 -9.393 -12.612 72 2HB LYS 10 3HB LYS 10 0.687 -8.755 -14.062 73 1HG LYS 10 2HG LYS 10 -1.077 -11.138 -14.471 74 2HG LYS 10 3HG LYS 10 -1.894 -9.677 -13.954 75 1HD LYS 10 2HD LYS 10 -1.547 -8.619 -15.957 76 2HD LYS 10 3HD LYS 10 0.107 -9.185 -16.082 77 1HE LYS 10 2HE LYS 10 -1.982 -11.301 -16.400 78 2HE LYS 10 3HE LYS 10 -1.951 -10.089 -17.667 79 1HZ LYS 10 1HZ LYS 10 -0.415 -12.144 -17.771 80 2HZ LYS 10 2HZ LYS 10 0.133 -10.694 -18.286 81 3HZ LYS 10 3HZ LYS 10 0.568 -11.256 -16.816 82 H GLY 11 HN GLY 11 1.695 -9.476 -11.397 83 1HA GLY 11 1HA GLY 11 4.633 -9.584 -11.742 84 2HA GLY 11 2HA GLY 11 3.783 -8.157 -11.185 85 H ASN 12 HN ASN 12 3.924 -7.855 -9.012 86 HA ASN 12 HA ASN 12 3.019 -9.693 -7.201 87 1HB ASN 12 2HB ASN 12 4.859 -11.149 -7.324 88 2HB ASN 12 3HB ASN 12 5.966 -9.881 -7.808 89 1HD2 ASN 12 1HD ASN 12 7.358 -9.203 -6.372 90 2HD2 ASN 12 2HD ASN 12 7.236 -9.329 -4.649 91 H VAL 13 HN VAL 13 2.385 -8.267 -5.574 92 HA VAL 13 HA VAL 13 3.800 -5.740 -5.365 93 HB VAL 13 HB VAL 13 1.355 -5.811 -5.596 94 1HG1 VAL 13 1HG VAL 13 0.199 -7.397 -4.530 95 2HG1 VAL 13 2HG VAL 13 1.588 -7.790 -3.488 96 3HG1 VAL 13 3HG VAL 13 0.466 -6.491 -3.021 97 1HG2 VAL 13 1HG VAL 13 2.722 -4.062 -4.208 98 2HG2 VAL 13 2HG VAL 13 0.944 -4.061 -4.129 99 3HG2 VAL 13 3HG VAL 13 1.894 -4.797 -2.815 100 H THR 14 HN THR 14 4.039 -4.878 -3.000 101 HA THR 14 HA THR 14 4.606 -6.961 -1.071 102 HB THR 14 HB THR 14 6.775 -5.182 -2.304 103 HG1 THR 14 HG1 THR 14 6.159 -8.041 -2.057 104 1HG2 THR 14 1HG THR 14 6.592 -6.382 0.345 105 2HG2 THR 14 2HG THR 14 7.824 -7.241 -0.611 106 3HG2 THR 14 3HG THR 14 7.952 -5.482 -0.369 107 H PHE 15 HN PHE 15 3.588 -6.272 0.695 108 HA PHE 15 HA PHE 15 3.217 -3.432 1.053 109 1HB PHE 15 2HB PHE 15 2.451 -5.903 2.721 110 2HB PHE 15 3HB PHE 15 1.805 -4.294 2.973 111 HD1 PHE 15 HD1 PHE 15 1.956 -4.247 -0.376 112 HD2 PHE 15 HD2 PHE 15 -0.093 -6.378 2.668 113 HE1 PHE 15 HE1 PHE 15 0.090 -4.744 -1.979 114 HE2 PHE 15 HE2 PHE 15 -1.959 -6.874 1.064 115 HZ PHE 15 HZ PHE 15 -1.844 -6.051 -1.240 116 H ASP 16 HN ASP 16 3.751 -2.320 3.086 117 HA ASP 16 HA ASP 16 5.990 -3.608 4.437 118 1HB ASP 16 2HB ASP 16 5.675 -0.777 3.395 119 2HB ASP 16 3HB ASP 16 6.720 -1.078 4.769 120 H HIS 17 HN HIS 17 5.702 -3.667 6.686 121 HA HIS 17 HA HIS 17 3.545 -1.993 7.741 122 1HB HIS 17 2HB HIS 17 3.799 -4.725 7.817 123 2HB HIS 17 3HB HIS 17 4.489 -4.270 9.362 124 HD1 HIS 17 HD1 HIS 17 2.821 -4.127 11.208 125 HD2 HIS 17 HD2 HIS 17 1.097 -3.320 7.470 126 HE1 HIS 17 HE1 HIS 17 0.332 -3.759 11.633 127 H LYS 18 HN LYS 18 6.748 -3.469 8.625 128 HA LYS 18 HA LYS 18 7.093 -1.333 10.575 129 1HB LYS 18 2HB LYS 18 7.672 -4.049 10.614 130 2HB LYS 18 3HB LYS 18 9.238 -3.312 10.339 131 1HG LYS 18 2HG LYS 18 9.215 -3.115 12.636 132 2HG LYS 18 3HG LYS 18 8.353 -1.634 12.274 133 1HD LYS 18 2HD LYS 18 6.273 -3.446 12.262 134 2HD LYS 18 3HD LYS 18 7.334 -4.180 13.447 135 1HE LYS 18 2HE LYS 18 7.347 -2.170 14.815 136 2HE LYS 18 3HE LYS 18 6.571 -1.230 13.557 137 1HZ LYS 18 1HZ LYS 18 4.619 -1.915 14.270 138 2HZ LYS 18 2HZ LYS 18 5.029 -3.492 14.175 139 3HZ LYS 18 3HZ LYS 18 5.340 -2.648 15.538 140 H ALA 19 HN ALA 19 7.736 -2.027 7.294 141 HA ALA 19 HA ALA 19 10.239 -0.560 7.252 142 1HB ALA 19 1HB ALA 19 8.601 -2.181 5.312 143 2HB ALA 19 2HB ALA 19 9.794 -1.017 4.685 144 3HB ALA 19 3HB ALA 19 10.318 -2.338 5.756 145 H HIS 20 HN HIS 20 6.766 -0.119 6.748 146 HA HIS 20 HA HIS 20 7.258 2.457 5.493 147 1HB HIS 20 2HB HIS 20 4.975 0.559 5.650 148 2HB HIS 20 3HB HIS 20 4.564 2.262 5.608 149 HD1 HIS 20 HD1 HIS 20 7.631 1.227 3.727 150 HD2 HIS 20 HD2 HIS 20 3.559 1.878 2.956 151 HE1 HIS 20 HE1 HIS 20 7.391 1.330 1.189 152 H ALA 21 HN ALA 21 5.794 0.932 8.414 153 HA ALA 21 HA ALA 21 4.765 3.216 9.574 154 1HB ALA 21 1HB ALA 21 4.223 1.055 10.447 155 2HB ALA 21 2HB ALA 21 5.936 0.659 10.722 156 3HB ALA 21 3HB ALA 21 5.135 1.892 11.724 157 H GLU 22 HN GLU 22 8.061 2.322 8.923 158 HA GLU 22 HA GLU 22 9.358 3.492 11.031 159 1HB GLU 22 2HB GLU 22 10.115 3.163 8.105 160 2HB GLU 22 3HB GLU 22 11.230 3.847 9.272 161 1HG GLU 22 2HG GLU 22 10.042 1.414 10.358 162 2HG GLU 22 3HG GLU 22 10.713 1.084 8.773 163 H LYS 23 HN LYS 23 8.157 4.944 7.945 164 HA LYS 23 HA LYS 23 8.753 7.578 9.096 165 1HB LYS 23 2HB LYS 23 8.411 6.810 6.181 166 2HB LYS 23 3HB LYS 23 8.794 8.407 6.792 167 1HG LYS 23 2HG LYS 23 10.639 6.433 7.909 168 2HG LYS 23 3HG LYS 23 10.623 6.322 6.161 169 1HD LYS 23 2HD LYS 23 12.060 8.087 6.177 170 2HD LYS 23 3HD LYS 23 10.667 9.077 6.562 171 1HE LYS 23 2HE LYS 23 11.146 8.422 9.059 172 2HE LYS 23 3HE LYS 23 12.716 7.902 8.478 173 1HZ LYS 23 1HZ LYS 23 12.931 10.148 7.492 174 2HZ LYS 23 2HZ LYS 23 11.570 10.595 8.275 175 3HZ LYS 23 3HZ LYS 23 12.888 10.137 9.124 176 H LEU 24 HN LEU 24 6.323 5.557 7.360 177 HA LEU 24 HA LEU 24 4.327 7.540 7.368 178 1HB LEU 24 2HB LEU 24 4.580 4.682 6.723 179 2HB LEU 24 3HB LEU 24 2.985 5.163 7.268 180 HG LEU 24 HG LEU 24 4.233 6.888 5.194 181 1HD1 LEU 24 1HD LEU 24 4.206 4.061 4.849 182 2HD1 LEU 24 2HD LEU 24 2.946 4.758 3.802 183 3HD1 LEU 24 3HD LEU 24 4.627 5.328 3.671 184 1HD2 LEU 24 1HD LEU 24 2.096 7.422 4.672 185 2HD2 LEU 24 2HD LEU 24 1.492 5.771 4.948 186 3HD2 LEU 24 3HD LEU 24 1.804 6.848 6.331 187 H GLY 25 HN GLY 25 3.485 4.496 8.949 188 1HA GLY 25 1HA GLY 25 3.704 4.619 11.517 189 2HA GLY 25 2HA GLY 25 2.694 6.038 11.326 190 H CYS 26 HN CYS 26 1.259 4.606 12.779 191 HA CYS 26 HA CYS 26 -0.063 2.486 11.328 192 1HB CYS 26 2HB CYS 26 -0.986 3.375 14.017 193 2HB CYS 26 3HB CYS 26 -0.906 1.766 13.329 194 H ASP 27 HN ASP 27 -0.917 5.566 13.081 195 HA ASP 27 HA ASP 27 -3.527 5.662 12.307 196 1HB ASP 27 2HB ASP 27 -1.449 7.674 13.118 197 2HB ASP 27 3HB ASP 27 -2.903 8.316 12.379 198 H ALA 28 HN ALA 28 -0.605 6.039 10.447 199 HA ALA 28 HA ALA 28 -1.310 7.891 8.530 200 1HB ALA 28 1HB ALA 28 0.593 5.647 8.840 201 2HB ALA 28 2HB ALA 28 0.175 6.026 7.151 202 3HB ALA 28 3HB ALA 28 0.853 7.289 8.205 203 H CYS 29 HN CYS 29 -1.654 4.271 8.329 204 HA CYS 29 HA CYS 29 -3.629 4.706 6.237 205 1HB CYS 29 2HB CYS 29 -2.700 1.984 7.044 206 2HB CYS 29 3HB CYS 29 -3.208 2.578 5.476 207 H HIS 30 HN HIS 30 -3.093 3.383 9.529 208 HA HIS 30 HA HIS 30 -5.872 2.559 9.666 209 1HB HIS 30 2HB HIS 30 -3.657 2.266 11.713 210 2HB HIS 30 3HB HIS 30 -5.247 1.532 11.788 211 HD1 HIS 30 HD1 HIS 30 -5.587 -0.678 10.570 212 HD2 HIS 30 HD2 HIS 30 -1.951 1.182 9.612 213 HE1 HIS 30 HE1 HIS 30 -4.251 -2.376 9.212 214 H GLU 31 HN GLU 31 -6.668 3.040 12.203 215 HA GLU 31 HA GLU 31 -5.964 5.463 13.288 216 1HB GLU 31 2HB GLU 31 -7.056 6.150 10.979 217 2HB GLU 31 3HB GLU 31 -8.572 5.814 11.793 218 1HG GLU 31 2HG GLU 31 -7.834 7.380 13.664 219 2HG GLU 31 3HG GLU 31 -6.432 7.796 12.699 220 H GLY 32 HN GLY 32 -6.447 4.901 15.366 221 1HA GLY 32 1HA GLY 32 -7.626 4.245 17.163 222 2HA GLY 32 2HA GLY 32 -9.090 4.556 16.250 223 H THR 33 HN THR 33 -6.622 2.117 17.094 224 HA THR 33 HA THR 33 -6.747 -0.103 17.219 225 HB THR 33 HB THR 33 -9.697 0.165 16.451 226 HG1 THR 33 HG1 THR 33 -8.801 1.580 18.255 227 1HG2 THR 33 1HG THR 33 -8.368 -1.727 18.440 228 2HG2 THR 33 2HG THR 33 -9.999 -1.844 17.737 229 3HG2 THR 33 3HG THR 33 -8.569 -2.172 16.729 230 HA PRO 34 HA PRO 34 -5.996 -0.671 12.939 231 1HB PRO 34 2HB PRO 34 -3.866 -2.359 13.232 232 2HB PRO 34 3HB PRO 34 -3.706 -0.615 13.177 233 1HG PRO 34 2HG PRO 34 -3.524 -2.419 15.512 234 2HG PRO 34 3HG PRO 34 -2.960 -0.768 15.353 235 1HD PRO 34 2HD PRO 34 -5.315 -1.651 16.732 236 2HD PRO 34 3HD PRO 34 -4.812 0.007 16.475 237 H ALA 35 HN ALA 35 -6.075 -2.432 11.363 238 HA ALA 35 HA ALA 35 -6.792 -4.993 12.382 239 1HB ALA 35 1HB ALA 35 -8.953 -4.309 12.808 240 2HB ALA 35 2HB ALA 35 -8.901 -3.015 11.586 241 3HB ALA 35 3HB ALA 35 -9.114 -4.709 11.081 242 H LYS 36 HN LYS 36 -8.008 -6.120 10.195 243 HA LYS 36 HA LYS 36 -5.875 -6.021 8.295 244 1HB LYS 36 2HB LYS 36 -6.900 -7.923 7.321 245 2HB LYS 36 3HB LYS 36 -7.064 -8.104 9.057 246 1HG LYS 36 2HG LYS 36 -9.277 -8.462 8.629 247 2HG LYS 36 3HG LYS 36 -9.383 -6.722 8.450 248 1HD LYS 36 2HD LYS 36 -10.379 -7.695 6.472 249 2HD LYS 36 3HD LYS 36 -8.846 -6.999 5.982 250 1HE LYS 36 2HE LYS 36 -7.881 -9.060 5.558 251 2HE LYS 36 3HE LYS 36 -8.716 -9.849 6.881 252 1HZ LYS 36 1HZ LYS 36 -10.671 -9.134 5.126 253 2HZ LYS 36 2HZ LYS 36 -9.463 -9.685 4.174 254 3HZ LYS 36 3HZ LYS 36 -10.072 -10.637 5.353 255 H ILE 37 HN ILE 37 -5.701 -4.535 6.715 256 HA ILE 37 HA ILE 37 -7.999 -2.962 6.017 257 HB ILE 37 HB ILE 37 -5.142 -2.949 5.037 258 1HG1 ILE 37 2HG ILE 37 -6.602 -1.264 7.090 259 2HG1 ILE 37 3HG ILE 37 -5.284 -2.380 7.383 260 1HG2 ILE 37 1HG ILE 37 -7.544 -1.489 4.141 261 2HG2 ILE 37 2HG ILE 37 -6.122 -0.474 4.478 262 3HG2 ILE 37 3HG ILE 37 -6.004 -1.807 3.306 263 1HD1 ILE 37 1HD ILE 37 -4.068 -0.838 5.527 264 2HD1 ILE 37 2HD ILE 37 -5.222 0.358 6.162 265 3HD1 ILE 37 3HD ILE 37 -4.058 -0.424 7.257 266 H ALA 38 HN ALA 38 -8.926 -2.790 3.887 267 HA ALA 38 HA ALA 38 -9.388 -5.261 2.686 268 1HB ALA 38 1HB ALA 38 -10.578 -3.930 0.998 269 2HB ALA 38 2HB ALA 38 -10.915 -3.304 2.629 270 3HB ALA 38 3HB ALA 38 -9.767 -2.451 1.569 271 H ILE 39 HN ILE 39 -8.851 -3.303 0.030 272 HA ILE 39 HA ILE 39 -7.115 -2.991 -1.379 273 HB ILE 39 HB ILE 39 -5.478 -4.824 0.375 274 1HG1 ILE 39 2HG ILE 39 -6.297 -2.051 0.744 275 2HG1 ILE 39 3HG ILE 39 -5.532 -3.159 1.866 276 1HG2 ILE 39 1HG ILE 39 -3.590 -4.139 -0.837 277 2HG2 ILE 39 2HG ILE 39 -4.823 -4.486 -2.073 278 3HG2 ILE 39 3HG ILE 39 -4.465 -2.802 -1.622 279 1HD1 ILE 39 1HD ILE 39 -3.336 -2.749 0.582 280 2HD1 ILE 39 2HD ILE 39 -4.184 -1.414 -0.234 281 3HD1 ILE 39 3HD ILE 39 -3.958 -1.380 1.531 282 H ASP 40 HN ASP 40 -6.483 -4.143 -3.298 283 HA ASP 40 HA ASP 40 -6.259 -6.697 -3.768 284 1HB ASP 40 2HB ASP 40 -8.696 -7.342 -4.521 285 2HB ASP 40 3HB ASP 40 -8.250 -7.515 -2.835 286 H LYS 41 HN LYS 41 -7.240 -7.319 -6.143 287 HA LYS 41 HA LYS 41 -6.512 -5.201 -7.844 288 1HB LYS 41 2HB LYS 41 -6.196 -7.636 -8.303 289 2HB LYS 41 3HB LYS 41 -7.926 -7.795 -8.525 290 1HG LYS 41 2HG LYS 41 -7.262 -5.594 -10.144 291 2HG LYS 41 3HG LYS 41 -5.903 -6.679 -10.356 292 1HD LYS 41 2HD LYS 41 -7.421 -8.528 -10.978 293 2HD LYS 41 3HD LYS 41 -8.823 -7.531 -10.645 294 1HE LYS 41 2HE LYS 41 -7.348 -5.951 -12.429 295 2HE LYS 41 3HE LYS 41 -7.077 -7.574 -13.032 296 1HZ LYS 41 1HZ LYS 41 -9.689 -7.600 -12.516 297 2HZ LYS 41 2HZ LYS 41 -9.490 -6.048 -12.981 298 3HZ LYS 41 3HZ LYS 41 -9.046 -7.262 -13.978 299 H LYS 42 HN LYS 42 -8.124 -3.688 -6.601 300 HA LYS 42 HA LYS 42 -10.034 -2.853 -8.363 301 1HB LYS 42 2HB LYS 42 -10.951 -5.207 -7.151 302 2HB LYS 42 3HB LYS 42 -11.783 -3.923 -6.297 303 1HG LYS 42 2HG LYS 42 -12.474 -2.929 -8.504 304 2HG LYS 42 3HG LYS 42 -11.684 -4.255 -9.333 305 1HD LYS 42 2HD LYS 42 -13.286 -5.826 -8.662 306 2HD LYS 42 3HD LYS 42 -13.684 -4.958 -7.192 307 1HE LYS 42 2HE LYS 42 -14.587 -3.098 -8.870 308 2HE LYS 42 3HE LYS 42 -14.628 -4.421 -10.019 309 1HZ LYS 42 1HZ LYS 42 -16.082 -5.607 -8.634 310 2HZ LYS 42 2HZ LYS 42 -15.872 -4.597 -7.368 311 3HZ LYS 42 3HZ LYS 42 -16.678 -4.088 -8.694 312 H SER 43 HN SER 43 -8.975 -3.283 -4.986 313 HA SER 43 HA SER 43 -9.935 -0.587 -4.457 314 1HB SER 43 2HB SER 43 -10.604 -2.579 -2.953 315 2HB SER 43 3HB SER 43 -8.941 -2.599 -2.401 316 HG SER 43 HG SER 43 -9.528 -0.087 -2.118 317 H ALA 44 HN ALA 44 -7.096 -2.778 -4.452 318 HA ALA 44 HA ALA 44 -5.271 -1.115 -3.197 319 1HB ALA 44 1HB ALA 44 -4.103 -3.002 -3.544 320 2HB ALA 44 2HB ALA 44 -5.311 -3.566 -4.724 321 3HB ALA 44 3HB ALA 44 -3.946 -2.557 -5.261 322 H HIS 45 HN HIS 45 -6.936 -0.763 -6.224 323 HA HIS 45 HA HIS 45 -4.892 1.073 -7.197 324 1HB HIS 45 2HB HIS 45 -7.259 -0.280 -8.496 325 2HB HIS 45 3HB HIS 45 -6.432 1.063 -9.258 326 HD1 HIS 45 HD1 HIS 45 -5.681 -0.552 -11.201 327 HD2 HIS 45 HD2 HIS 45 -4.159 -1.522 -7.415 328 HE1 HIS 45 HE1 HIS 45 -3.799 -2.229 -11.596 329 H LYS 46 HN LYS 46 -7.445 1.123 -5.094 330 HA LYS 46 HA LYS 46 -8.400 3.730 -6.032 331 1HB LYS 46 2HB LYS 46 -9.860 1.551 -5.325 332 2HB LYS 46 3HB LYS 46 -9.760 2.365 -3.777 333 1HG LYS 46 2HG LYS 46 -11.184 4.015 -4.436 334 2HG LYS 46 3HG LYS 46 -10.309 4.281 -5.932 335 1HD LYS 46 2HD LYS 46 -11.876 3.148 -7.115 336 2HD LYS 46 3HD LYS 46 -11.677 1.730 -6.105 337 1HE LYS 46 2HE LYS 46 -13.123 3.220 -4.373 338 2HE LYS 46 3HE LYS 46 -13.669 3.977 -5.856 339 1HZ LYS 46 1HZ LYS 46 -15.099 2.237 -5.627 340 2HZ LYS 46 2HZ LYS 46 -13.983 1.553 -6.605 341 3HZ LYS 46 3HZ LYS 46 -13.988 1.213 -5.007 342 H ASP 47 HN ASP 47 -9.376 4.400 -3.301 343 HA ASP 47 HA ASP 47 -7.316 5.944 -2.489 344 1HB ASP 47 2HB ASP 47 -9.630 4.710 -0.943 345 2HB ASP 47 3HB ASP 47 -8.528 5.837 -0.179 346 H ALA 48 HN ALA 48 -7.903 2.500 -1.992 347 HA ALA 48 HA ALA 48 -6.714 1.839 0.314 348 1HB ALA 48 1HB ALA 48 -7.669 0.357 -1.541 349 2HB ALA 48 2HB ALA 48 -6.064 0.444 -2.304 350 3HB ALA 48 3HB ALA 48 -6.241 -0.277 -0.686 351 H CYS 49 HN CYS 49 -4.778 1.874 -2.764 352 HA CYS 49 HA CYS 49 -2.502 2.679 -1.114 353 1HB CYS 49 2HB CYS 49 -2.830 0.816 -3.359 354 2HB CYS 49 3HB CYS 49 -1.466 1.903 -3.544 355 H LYS 50 HN LYS 50 -4.085 3.113 -4.362 356 HA LYS 50 HA LYS 50 -2.561 5.333 -5.104 357 1HB LYS 50 2HB LYS 50 -5.200 4.180 -5.984 358 2HB LYS 50 3HB LYS 50 -4.641 5.708 -6.635 359 1HG LYS 50 2HG LYS 50 -2.355 4.326 -6.974 360 2HG LYS 50 3HG LYS 50 -3.445 2.956 -6.950 361 1HD LYS 50 2HD LYS 50 -3.464 3.474 -9.228 362 2HD LYS 50 3HD LYS 50 -4.858 4.386 -8.681 363 1HE LYS 50 2HE LYS 50 -3.886 6.263 -9.508 364 2HE LYS 50 3HE LYS 50 -2.661 6.128 -8.262 365 1HZ LYS 50 1HZ LYS 50 -1.474 4.610 -9.784 366 2HZ LYS 50 2HZ LYS 50 -2.558 4.963 -10.954 367 3HZ LYS 50 3HZ LYS 50 -1.600 6.138 -10.347 368 H THR 51 HN THR 51 -2.342 6.947 -3.575 369 HA THR 51 HA THR 51 -4.130 8.967 -3.420 370 HB THR 51 HB THR 51 -4.911 6.666 -1.691 371 HG1 THR 51 HG1 THR 51 -6.140 7.824 -3.432 372 1HG2 THR 51 1HG THR 51 -5.979 8.496 -0.110 373 2HG2 THR 51 2HG THR 51 -4.312 7.964 0.213 374 3HG2 THR 51 3HG THR 51 -4.608 9.502 -0.634 375 H CYS 52 HN CYS 52 -2.601 7.207 -0.646 376 HA CYS 52 HA CYS 52 -1.351 9.524 0.271 377 1HB CYS 52 2HB CYS 52 -1.667 7.904 1.884 378 2HB CYS 52 3HB CYS 52 -1.100 6.602 0.857 379 H HIS 53 HN HIS 53 -0.289 6.756 -1.798 380 HA HIS 53 HA HIS 53 2.382 7.474 -1.977 381 1HB HIS 53 2HB HIS 53 0.504 5.698 -3.391 382 2HB HIS 53 3HB HIS 53 1.831 6.263 -4.387 383 HD1 HIS 53 HD1 HIS 53 3.849 4.804 -4.296 384 HD2 HIS 53 HD2 HIS 53 1.624 4.623 -0.744 385 HE1 HIS 53 HE1 HIS 53 5.024 3.102 -2.802 386 H LYS 54 HN LYS 54 -0.534 8.674 -3.639 387 HA LYS 54 HA LYS 54 0.928 10.078 -5.640 388 1HB LYS 54 2HB LYS 54 -1.933 9.892 -4.767 389 2HB LYS 54 3HB LYS 54 -1.448 11.240 -5.777 390 1HG LYS 54 2HG LYS 54 -0.389 9.554 -7.380 391 2HG LYS 54 3HG LYS 54 -1.096 8.274 -6.413 392 1HD LYS 54 2HD LYS 54 -2.855 8.503 -7.876 393 2HD LYS 54 3HD LYS 54 -3.323 9.798 -6.791 394 1HE LYS 54 2HE LYS 54 -2.537 11.489 -8.238 395 2HE LYS 54 3HE LYS 54 -1.398 10.424 -9.038 396 1HZ LYS 54 1HZ LYS 54 -4.118 9.607 -9.313 397 2HZ LYS 54 2HZ LYS 54 -3.809 11.064 -9.982 398 3HZ LYS 54 3HZ LYS 54 -2.955 9.753 -10.450 399 H SER 55 HN SER 55 2.508 10.932 -3.911 400 HA SER 55 HA SER 55 1.693 13.623 -3.400 401 1HB SER 55 2HB SER 55 1.414 11.746 -1.315 402 2HB SER 55 3HB SER 55 2.928 12.555 -0.959 403 HG SER 55 HG SER 55 1.787 14.615 -1.145 404 H ASN 56 HN ASN 56 4.227 11.394 -2.034 405 HA ASN 56 HA ASN 56 6.239 13.272 -2.673 406 1HB ASN 56 2HB ASN 56 6.105 10.532 -1.412 407 2HB ASN 56 3HB ASN 56 7.660 11.039 -2.039 408 1HD2 ASN 56 1HD ASN 56 4.937 12.196 -0.070 409 2HD2 ASN 56 2HD ASN 56 5.863 13.091 1.089 410 H ASN 57 HN ASN 57 6.418 9.722 -3.342 411 HA ASN 57 HA ASN 57 7.417 10.383 -5.976 412 1HB ASN 57 2HB ASN 57 7.440 7.751 -4.407 413 2HB ASN 57 3HB ASN 57 8.175 7.968 -5.983 414 1HD2 ASN 57 1HD ASN 57 8.858 7.738 -2.853 415 2HD2 ASN 57 2HD ASN 57 10.277 8.720 -2.707 416 H GLY 58 HN GLY 58 5.462 7.698 -4.454 417 1HA GLY 58 1HA GLY 58 3.633 6.591 -5.143 418 2HA GLY 58 2HA GLY 58 3.114 8.088 -5.891 419 HA PRO 59 HA PRO 59 4.424 4.933 -9.071 420 1HB PRO 59 2HB PRO 59 2.098 3.603 -9.613 421 2HB PRO 59 3HB PRO 59 3.340 2.967 -8.553 422 1HG PRO 59 2HG PRO 59 0.728 4.153 -7.842 423 2HG PRO 59 3HG PRO 59 1.778 3.145 -6.867 424 1HD PRO 59 2HD PRO 59 1.446 5.986 -6.655 425 2HD PRO 59 3HD PRO 59 2.579 4.993 -5.760 426 H THR 60 HN THR 60 2.942 4.412 -11.302 427 HA THR 60 HA THR 60 1.255 6.444 -12.102 428 HB THR 60 HB THR 60 4.164 7.150 -12.098 429 HG1 THR 60 HG1 THR 60 2.879 8.649 -11.068 430 1HG2 THR 60 1HG THR 60 2.356 7.463 -14.518 431 2HG2 THR 60 2HG THR 60 3.481 8.774 -14.090 432 3HG2 THR 60 3HG THR 60 4.108 7.152 -14.468 433 H LYS 61 HN LYS 61 4.047 4.391 -13.099 434 HA LYS 61 HA LYS 61 2.340 3.475 -15.305 435 1HB LYS 61 2HB LYS 61 4.438 3.173 -16.627 436 2HB LYS 61 3HB LYS 61 4.018 4.843 -16.307 437 1HG LYS 61 2HG LYS 61 5.596 4.751 -14.286 438 2HG LYS 61 3HG LYS 61 6.121 3.178 -14.851 439 1HD LYS 61 2HD LYS 61 6.138 5.242 -16.978 440 2HD LYS 61 3HD LYS 61 7.201 5.626 -15.639 441 1HE LYS 61 2HE LYS 61 7.558 2.832 -16.206 442 2HE LYS 61 3HE LYS 61 7.583 3.669 -17.745 443 1HZ LYS 61 1HZ LYS 61 9.060 5.224 -16.075 444 2HZ LYS 61 2HZ LYS 61 9.505 3.701 -15.688 445 3HZ LYS 61 3HZ LYS 61 9.638 4.224 -17.229 446 H CYS 62 HN CYS 62 1.686 1.997 -13.418 447 HA CYS 62 HA CYS 62 1.771 0.060 -12.383 448 1HB CYS 62 2HB CYS 62 3.380 -0.681 -14.831 449 2HB CYS 62 3HB CYS 62 2.843 -1.849 -13.638 450 H GLY 63 HN GLY 63 5.034 -0.377 -13.852 451 1HA GLY 63 1HA GLY 63 6.523 -1.352 -11.983 452 2HA GLY 63 2HA GLY 63 7.099 0.038 -12.882 453 H GLY 64 HN GLY 64 5.493 2.129 -11.875 454 1HA GLY 64 1HA GLY 64 6.773 3.157 -9.791 455 2HA GLY 64 2HA GLY 64 5.056 3.400 -10.035 456 H CYS 65 HN CYS 65 3.965 0.870 -9.492 457 HA CYS 65 HA CYS 65 4.597 0.665 -6.649 458 1HB CYS 65 2HB CYS 65 2.157 0.885 -8.057 459 2HB CYS 65 3HB CYS 65 2.209 -0.747 -7.421 460 H HIS 66 HN HIS 66 3.277 -1.507 -9.263 461 HA HIS 66 HA HIS 66 4.280 -3.826 -8.100 462 1HB HIS 66 2HB HIS 66 3.306 -3.127 -10.867 463 2HB HIS 66 3HB HIS 66 3.909 -4.730 -10.498 464 HD1 HIS 66 HD1 HIS 66 2.097 -6.324 -9.893 465 HD2 HIS 66 HD2 HIS 66 1.165 -2.396 -8.757 466 HE1 HIS 66 HE1 HIS 66 -0.228 -6.416 -8.847 467 H ILE 67 HN ILE 67 6.030 -5.249 -8.847 468 HA ILE 67 HA ILE 67 8.368 -3.678 -9.473 469 HB ILE 67 HB ILE 67 7.939 -6.564 -8.710 470 1HG1 ILE 67 2HG ILE 67 9.482 -4.601 -7.069 471 2HG1 ILE 67 3HG ILE 67 7.737 -4.441 -7.097 472 1HG2 ILE 67 1HG ILE 67 9.860 -6.836 -9.909 473 2HG2 ILE 67 2HG ILE 67 10.375 -5.146 -9.693 474 3HG2 ILE 67 3HG ILE 67 10.554 -6.309 -8.358 475 1HD1 ILE 67 1HD ILE 67 9.428 -6.662 -5.998 476 2HD1 ILE 67 2HD ILE 67 7.917 -5.966 -5.367 477 3HD1 ILE 67 3HD ILE 67 7.868 -7.116 -6.724 478 H LYS 68 HN LYS 68 8.147 -3.019 -11.631 479 HA LYS 68 HA LYS 68 8.115 -5.242 -13.552 480 1HB LYS 68 2HB LYS 68 6.120 -3.574 -13.460 481 2HB LYS 68 3HB LYS 68 7.222 -2.443 -14.217 482 1HG LYS 68 2HG LYS 68 6.315 -3.430 -16.119 483 2HG LYS 68 3HG LYS 68 7.697 -4.479 -15.878 484 1HD LYS 68 2HD LYS 68 6.134 -5.975 -14.453 485 2HD LYS 68 3HD LYS 68 4.807 -5.015 -15.076 486 1HE LYS 68 2HE LYS 68 4.871 -6.754 -16.645 487 2HE LYS 68 3HE LYS 68 5.862 -5.551 -17.445 488 1HZ LYS 68 1HZ LYS 68 6.755 -7.899 -17.210 489 2HZ LYS 68 2HZ LYS 68 7.775 -6.667 -16.878 490 3HZ LYS 68 3HZ LYS 68 7.087 -7.508 -15.659 491 HHA HEC 98 HGM HEC 98 -4.039 -5.283 8.249 492 HHB HEC 98 HDM HEC 98 -1.645 -2.749 13.427 493 HHC HEC 98 HAM HEC 98 1.548 1.355 9.812 494 HHD HEC 98 HBM HEC 98 -1.295 -1.003 4.795 495 1HMA HEC 98 1HM HEC 98 -2.165 -6.049 13.490 496 2HMA HEC 98 2HM HEC 98 -2.739 -4.467 14.070 497 3HMA HEC 98 3HM HEC 98 -3.908 -5.689 13.518 498 1HAA HEC 98 1HA HEC 98 -4.262 -7.028 11.539 499 2HAA HEC 98 2HA HEC 98 -4.958 -6.331 10.057 500 1HBA HEC 98 3HB HEC 98 -3.825 -7.981 8.914 501 2HBA HEC 98 4HB HEC 98 -2.344 -7.065 9.276 502 1HMB HEC 98 1HM HEC 98 -1.156 -1.308 14.700 503 2HMB HEC 98 2HM HEC 98 0.550 -0.879 14.963 504 3HMB HEC 98 3HM HEC 98 -0.669 0.402 14.759 505 HAB HEC 98 HT2 HEC 98 1.936 1.871 11.724 506 1HBB HEC 98 1HT HEC 98 3.712 1.623 13.110 507 2HBB HEC 98 2HT HEC 98 2.900 0.385 14.099 508 3HBB HEC 98 3HT HEC 98 3.371 0.017 12.421 509 1HMC HEC 98 1HM HEC 98 2.573 2.279 8.376 510 2HMC HEC 98 2HM HEC 98 2.619 2.438 6.605 511 3HMC HEC 98 3HM HEC 98 1.438 3.373 7.551 512 HAC HEC 98 HT4 HEC 98 -0.649 1.030 4.312 513 1HBC HEC 98 1HT HEC 98 1.893 2.419 3.906 514 2HBC HEC 98 2HT HEC 98 2.140 0.752 4.476 515 3HBC HEC 98 3HT HEC 98 1.186 1.057 3.004 516 1HMD HEC 98 1HM HEC 98 -3.934 -2.901 3.354 517 2HMD HEC 98 2HM HEC 98 -2.639 -1.682 3.420 518 3HMD HEC 98 3HM HEC 98 -2.238 -3.391 3.130 519 1HAD HEC 98 1HA HEC 98 -4.293 -5.890 6.085 520 2HAD HEC 98 2HA HEC 98 -4.826 -4.876 4.723 521 1HBD HEC 98 3HB HEC 98 -2.075 -5.585 4.357 522 2HBD HEC 98 4HB HEC 98 -3.033 -7.048 4.690 523 HHA HEC 128 HGM HEC 128 8.227 3.552 -0.692 524 HHB HEC 128 HDM HEC 128 4.615 -1.153 -2.637 525 HHC HEC 128 HAM HEC 128 -0.154 1.243 0.774 526 HHD HEC 128 HBM HEC 128 3.461 6.103 2.233 527 1HMA HEC 128 1HM HEC 128 7.587 -1.953 -2.147 528 2HMA HEC 128 2HM HEC 128 6.662 -1.426 -3.573 529 3HMA HEC 128 3HM HEC 128 8.361 -0.933 -3.383 530 1HAA HEC 128 1HA HEC 128 9.656 0.666 -2.478 531 2HAA HEC 128 2HA HEC 128 9.432 2.355 -1.962 532 1HBA HEC 128 3HB HEC 128 9.797 1.816 0.358 533 2HBA HEC 128 4HB HEC 128 9.532 0.079 0.083 534 1HMB HEC 128 1HM HEC 128 1.074 -2.469 -2.926 535 2HMB HEC 128 2HM HEC 128 2.335 -1.600 -3.833 536 3HMB HEC 128 3HM HEC 128 2.792 -2.815 -2.614 537 HAB HEC 128 HT2 HEC 128 -0.978 -0.252 -0.468 538 1HBB HEC 128 1HT HEC 128 -1.322 -2.724 0.170 539 2HBB HEC 128 2HT HEC 128 0.421 -2.620 0.516 540 3HBB HEC 128 3HT HEC 128 -0.710 -1.490 1.297 541 1HMC HEC 128 1HM HEC 128 -1.793 3.977 1.771 542 2HMC HEC 128 2HM HEC 128 -1.427 2.235 1.753 543 3HMC HEC 128 3HM HEC 128 -1.241 3.169 3.257 544 HAC HEC 128 HT4 HEC 128 1.422 6.536 3.016 545 1HBC HEC 128 1HT HEC 128 -0.381 5.005 4.263 546 2HBC HEC 128 2HT HEC 128 -0.446 6.781 4.353 547 3HBC HEC 128 3HT HEC 128 -1.509 5.908 3.224 548 1HMD HEC 128 1HM HEC 128 6.733 7.641 2.506 549 2HMD HEC 128 2HM HEC 128 5.375 8.145 1.474 550 3HMD HEC 128 3HM HEC 128 5.060 7.306 3.012 551 1HAD HEC 128 1HA HEC 128 8.842 5.891 0.124 552 2HAD HEC 128 2HA HEC 128 8.309 6.934 1.464 553 1HBD HEC 128 3HB HEC 128 9.089 4.037 1.799 554 2HBD HEC 128 4HB HEC 128 10.209 5.406 1.998 555 HHA HEC 158 HGM HEC 158 -3.062 -7.130 -7.035 556 HHB HEC 158 HDM HEC 158 -2.156 -5.606 -13.021 557 HHC HEC 158 HAM HEC 158 -0.713 0.283 -11.189 558 HHD HEC 158 HBM HEC 158 -1.215 -1.546 -5.254 559 1HMA HEC 158 1HM HEC 158 -2.701 -8.634 -12.389 560 2HMA HEC 158 2HM HEC 158 -4.430 -8.491 -11.988 561 3HMA HEC 158 3HM HEC 158 -3.658 -7.281 -13.040 562 1HAA HEC 158 1HA HEC 158 -4.117 -8.455 -7.945 563 2HAA HEC 158 2HA HEC 158 -5.047 -8.776 -9.428 564 1HBA HEC 158 3HB HEC 158 -2.259 -9.476 -9.908 565 2HBA HEC 158 4HB HEC 158 -2.796 -10.271 -8.409 566 1HMB HEC 158 1HM HEC 158 -0.551 -4.731 -14.562 567 2HMB HEC 158 2HM HEC 158 -2.044 -3.968 -15.157 568 3HMB HEC 158 3HM HEC 158 -0.484 -3.133 -15.342 569 HAB HEC 158 HT2 HEC 158 0.323 -0.336 -13.646 570 1HBB HEC 158 1HT HEC 158 -1.951 1.117 -14.296 571 2HBB HEC 158 2HT HEC 158 -2.131 0.510 -12.632 572 3HBB HEC 158 3HT HEC 158 -0.678 1.430 -13.092 573 1HMC HEC 158 1HM HEC 158 -0.475 2.751 -8.606 574 2HMC HEC 158 2HM HEC 158 0.927 2.012 -9.416 575 3HMC HEC 158 3HM HEC 158 -0.646 2.081 -10.245 576 HAC HEC 158 HT4 HEC 158 -0.035 0.261 -5.280 577 1HBC HEC 158 1HT HEC 158 -0.198 2.724 -4.928 578 2HBC HEC 158 2HT HEC 158 -0.666 2.919 -6.634 579 3HBC HEC 158 3HT HEC 158 -1.722 2.020 -5.519 580 1HMD HEC 158 1HM HEC 158 -2.116 -2.322 -3.367 581 2HMD HEC 158 2HM HEC 158 -2.291 -3.980 -2.746 582 3HMD HEC 158 3HM HEC 158 -0.684 -3.366 -3.200 583 1HAD HEC 158 1HA HEC 158 -3.078 -5.674 -3.262 584 2HAD HEC 158 2HA HEC 158 -4.203 -6.228 -4.525 585 1HBD HEC 158 3HB HEC 158 -1.729 -7.417 -5.119 586 2HBD HEC 158 4HB HEC 158 -1.948 -7.571 -3.360 Start of MODEL 20 1 H ALA 1 HN ALA 1 3.242 -10.034 9.261 2 HA ALA 1 HA ALA 1 3.331 -7.955 8.498 3 1HB ALA 1 1HB ALA 1 4.095 -6.904 11.227 4 2HB ALA 1 2HB ALA 1 3.090 -6.144 9.970 5 3HB ALA 1 3HB ALA 1 2.451 -7.509 10.917 6 H ASP 2 HN ASP 2 5.249 -5.887 9.813 7 HA ASP 2 HA ASP 2 7.289 -5.209 9.538 8 1HB ASP 2 2HB ASP 2 7.766 -8.165 9.961 9 2HB ASP 2 3HB ASP 2 9.122 -7.162 9.485 10 H VAL 3 HN VAL 3 5.787 -5.448 7.182 11 HA VAL 3 HA VAL 3 6.191 -5.195 4.995 12 HB VAL 3 HB VAL 3 8.842 -6.594 5.258 13 1HG1 VAL 3 1HG VAL 3 8.245 -6.208 2.994 14 2HG1 VAL 3 2HG VAL 3 7.663 -4.563 3.346 15 3HG1 VAL 3 3HG VAL 3 9.405 -4.926 3.417 16 1HG2 VAL 3 1HG VAL 3 9.504 -5.031 6.722 17 2HG2 VAL 3 2HG VAL 3 9.416 -3.883 5.365 18 3HG2 VAL 3 3HG VAL 3 8.035 -4.057 6.475 19 H VAL 4 HN VAL 4 4.732 -6.468 3.976 20 HA VAL 4 HA VAL 4 5.134 -9.366 4.169 21 HB VAL 4 HB VAL 4 2.640 -8.017 3.189 22 1HG1 VAL 4 1HG VAL 4 1.938 -10.131 3.099 23 2HG1 VAL 4 2HG VAL 4 3.481 -10.703 3.779 24 3HG1 VAL 4 3HG VAL 4 2.142 -10.254 4.863 25 1HG2 VAL 4 1HG VAL 4 3.234 -6.907 5.319 26 2HG2 VAL 4 2HG VAL 4 1.767 -7.903 5.463 27 3HG2 VAL 4 3HG VAL 4 3.313 -8.498 6.112 28 H THR 5 HN THR 5 4.995 -10.667 2.243 29 HA THR 5 HA THR 5 5.461 -9.105 -0.213 30 HB THR 5 HB THR 5 6.780 -11.622 0.905 31 HG1 THR 5 HG1 THR 5 7.626 -9.055 -0.244 32 1HG2 THR 5 1HG THR 5 7.678 -10.514 -1.717 33 2HG2 THR 5 2HG THR 5 7.598 -12.207 -1.176 34 3HG2 THR 5 3HG THR 5 6.133 -11.396 -1.777 35 H TYR 6 HN TYR 6 3.920 -9.294 -1.701 36 HA TYR 6 HA TYR 6 2.177 -11.644 -1.513 37 1HB TYR 6 2HB TYR 6 2.037 -8.737 -2.259 38 2HB TYR 6 3HB TYR 6 1.146 -9.777 -3.352 39 HD1 TYR 6 HD1 TYR 6 1.567 -9.187 0.331 40 HD2 TYR 6 HD2 TYR 6 -1.073 -10.267 -2.857 41 HE1 TYR 6 HE1 TYR 6 -0.388 -9.229 1.956 42 HE2 TYR 6 HE2 TYR 6 -3.020 -10.305 -1.222 43 HH TYR 6 HH TYR 6 -2.729 -10.570 1.918 44 H GLU 7 HN GLU 7 1.457 -12.683 -3.530 45 HA GLU 7 HA GLU 7 3.283 -12.217 -5.740 46 1HB GLU 7 2HB GLU 7 2.900 -14.757 -4.185 47 2HB GLU 7 3HB GLU 7 3.069 -14.909 -5.923 48 1HG GLU 7 2HG GLU 7 5.092 -13.101 -5.316 49 2HG GLU 7 3HG GLU 7 5.089 -14.119 -3.891 50 H ASN 8 HN ASN 8 2.378 -12.620 -7.826 51 HA ASN 8 HA ASN 8 -0.264 -13.727 -7.914 52 1HB ASN 8 2HB ASN 8 -1.009 -11.655 -9.331 53 2HB ASN 8 3HB ASN 8 -0.989 -11.478 -7.589 54 1HD2 ASN 8 1HD ASN 8 0.181 -9.935 -6.690 55 2HD2 ASN 8 2HD ASN 8 1.344 -8.926 -7.484 56 H LYS 9 HN LYS 9 -0.980 -13.268 -10.515 57 HA LYS 9 HA LYS 9 1.293 -14.333 -11.989 58 1HB LYS 9 2HB LYS 9 -1.692 -14.320 -12.454 59 2HB LYS 9 3HB LYS 9 -0.562 -14.766 -13.717 60 1HG LYS 9 2HG LYS 9 0.275 -16.639 -12.471 61 2HG LYS 9 3HG LYS 9 -0.407 -16.054 -10.967 62 1HD LYS 9 2HD LYS 9 -1.922 -17.754 -11.590 63 2HD LYS 9 3HD LYS 9 -2.731 -16.301 -12.145 64 1HE LYS 9 2HE LYS 9 -2.890 -17.731 -14.021 65 2HE LYS 9 3HE LYS 9 -1.516 -16.721 -14.425 66 1HZ LYS 9 1HZ LYS 9 -0.920 -19.104 -12.923 67 2HZ LYS 9 2HZ LYS 9 -1.433 -19.343 -14.455 68 3HZ LYS 9 3HZ LYS 9 -0.111 -18.427 -14.171 69 H LYS 10 HN LYS 10 1.282 -11.519 -11.176 70 HA LYS 10 HA LYS 10 1.881 -10.407 -13.710 71 1HB LYS 10 2HB LYS 10 -0.820 -10.189 -12.974 72 2HB LYS 10 3HB LYS 10 -0.127 -8.625 -12.597 73 1HG LYS 10 2HG LYS 10 0.521 -8.212 -14.827 74 2HG LYS 10 3HG LYS 10 0.582 -9.915 -15.238 75 1HD LYS 10 2HD LYS 10 -2.093 -8.805 -14.424 76 2HD LYS 10 3HD LYS 10 -1.470 -8.309 -15.984 77 1HE LYS 10 2HE LYS 10 -0.991 -11.103 -15.875 78 2HE LYS 10 3HE LYS 10 -2.586 -10.898 -15.179 79 1HZ LYS 10 1HZ LYS 10 -1.786 -10.616 -17.858 80 2HZ LYS 10 2HZ LYS 10 -3.296 -10.688 -17.239 81 3HZ LYS 10 3HZ LYS 10 -2.528 -9.252 -17.350 82 H GLY 11 HN GLY 11 3.711 -10.757 -11.932 83 1HA GLY 11 1HA GLY 11 5.350 -9.451 -10.996 84 2HA GLY 11 2HA GLY 11 4.241 -8.098 -10.888 85 H ASN 12 HN ASN 12 4.715 -7.630 -8.683 86 HA ASN 12 HA ASN 12 3.187 -9.159 -6.875 87 1HB ASN 12 2HB ASN 12 5.234 -9.510 -5.291 88 2HB ASN 12 3HB ASN 12 5.056 -10.628 -6.629 89 1HD2 ASN 12 1HD ASN 12 7.168 -8.734 -4.995 90 2HD2 ASN 12 2HD ASN 12 8.400 -8.483 -6.187 91 H VAL 13 HN VAL 13 2.980 -7.962 -4.794 92 HA VAL 13 HA VAL 13 4.239 -5.308 -4.870 93 HB VAL 13 HB VAL 13 1.956 -5.084 -5.576 94 1HG1 VAL 13 1HG VAL 13 1.161 -7.251 -4.580 95 2HG1 VAL 13 2HG VAL 13 1.090 -6.435 -3.000 96 3HG1 VAL 13 3HG VAL 13 0.056 -5.877 -4.337 97 1HG2 VAL 13 1HG VAL 13 2.710 -3.278 -4.208 98 2HG2 VAL 13 2HG VAL 13 1.051 -3.664 -3.689 99 3HG2 VAL 13 3HG VAL 13 2.438 -4.206 -2.714 100 H THR 14 HN THR 14 5.866 -5.703 -3.377 101 HA THR 14 HA THR 14 5.294 -7.173 -0.975 102 HB THR 14 HB THR 14 7.668 -5.761 -2.241 103 HG1 THR 14 HG1 THR 14 8.374 -8.022 -2.005 104 1HG2 THR 14 1HG THR 14 7.363 -6.731 0.633 105 2HG2 THR 14 2HG THR 14 8.933 -6.808 -0.200 106 3HG2 THR 14 3HG THR 14 8.136 -5.237 0.053 107 H PHE 15 HN PHE 15 3.541 -6.029 -0.024 108 HA PHE 15 HA PHE 15 3.380 -3.368 0.446 109 1HB PHE 15 2HB PHE 15 2.727 -5.835 2.156 110 2HB PHE 15 3HB PHE 15 2.187 -4.234 2.624 111 HD1 PHE 15 HD1 PHE 15 0.888 -7.042 1.463 112 HD2 PHE 15 HD2 PHE 15 1.292 -3.026 0.155 113 HE1 PHE 15 HE1 PHE 15 -1.149 -7.307 0.020 114 HE2 PHE 15 HE2 PHE 15 -0.744 -3.290 -1.288 115 HZ PHE 15 HZ PHE 15 -1.940 -5.427 -1.339 116 H ASP 16 HN ASP 16 3.674 -2.130 2.544 117 HA ASP 16 HA ASP 16 6.149 -2.995 3.819 118 1HB ASP 16 2HB ASP 16 5.249 -0.254 2.870 119 2HB ASP 16 3HB ASP 16 6.420 -0.391 4.166 120 H HIS 17 HN HIS 17 6.031 -3.029 6.095 121 HA HIS 17 HA HIS 17 3.665 -1.754 7.263 122 1HB HIS 17 2HB HIS 17 4.135 -4.435 7.170 123 2HB HIS 17 3HB HIS 17 4.899 -4.034 8.695 124 HD1 HIS 17 HD1 HIS 17 3.373 -4.050 10.671 125 HD2 HIS 17 HD2 HIS 17 1.307 -3.334 7.091 126 HE1 HIS 17 HE1 HIS 17 0.898 -3.940 11.284 127 H LYS 18 HN LYS 18 7.026 -2.939 7.978 128 HA LYS 18 HA LYS 18 7.216 -1.007 10.123 129 1HB LYS 18 2HB LYS 18 8.359 -3.543 9.544 130 2HB LYS 18 3HB LYS 18 9.678 -2.391 9.568 131 1HG LYS 18 2HG LYS 18 7.644 -2.105 11.754 132 2HG LYS 18 3HG LYS 18 8.648 -3.540 11.822 133 1HD LYS 18 2HD LYS 18 10.623 -2.326 12.143 134 2HD LYS 18 3HD LYS 18 10.025 -0.914 11.296 135 1HE LYS 18 2HE LYS 18 9.874 -0.111 13.467 136 2HE LYS 18 3HE LYS 18 8.284 -0.839 13.342 137 1HZ LYS 18 1HZ LYS 18 10.022 -1.432 15.233 138 2HZ LYS 18 2HZ LYS 18 8.857 -2.464 14.739 139 3HZ LYS 18 3HZ LYS 18 10.380 -2.618 14.169 140 H ALA 19 HN ALA 19 8.503 -1.620 6.825 141 HA ALA 19 HA ALA 19 10.386 0.459 6.860 142 1HB ALA 19 1HB ALA 19 9.694 0.175 4.225 143 2HB ALA 19 2HB ALA 19 10.819 -0.900 5.090 144 3HB ALA 19 3HB ALA 19 9.112 -1.366 4.900 145 H HIS 20 HN HIS 20 6.871 0.328 6.349 146 HA HIS 20 HA HIS 20 6.850 3.041 5.356 147 1HB HIS 20 2HB HIS 20 4.902 0.801 5.581 148 2HB HIS 20 3HB HIS 20 4.242 2.423 5.664 149 HD1 HIS 20 HD1 HIS 20 7.222 1.587 3.470 150 HD2 HIS 20 HD2 HIS 20 3.115 2.360 3.107 151 HE1 HIS 20 HE1 HIS 20 6.763 1.856 0.973 152 H ALA 21 HN ALA 21 5.567 1.169 8.193 153 HA ALA 21 HA ALA 21 4.366 3.070 9.623 154 1HB ALA 21 1HB ALA 21 5.350 1.866 11.657 155 2HB ALA 21 2HB ALA 21 4.522 0.840 10.461 156 3HB ALA 21 3HB ALA 21 6.300 0.901 10.503 157 H GLU 22 HN GLU 22 7.838 2.861 8.890 158 HA GLU 22 HA GLU 22 8.816 4.505 10.834 159 1HB GLU 22 2HB GLU 22 9.724 4.362 7.925 160 2HB GLU 22 3HB GLU 22 10.690 4.935 9.270 161 1HG GLU 22 2HG GLU 22 9.705 2.370 10.053 162 2HG GLU 22 3HG GLU 22 10.226 2.196 8.389 163 H LYS 23 HN LYS 23 7.512 5.381 7.562 164 HA LYS 23 HA LYS 23 7.597 8.186 8.352 165 1HB LYS 23 2HB LYS 23 7.084 6.841 5.683 166 2HB LYS 23 3HB LYS 23 7.029 8.572 5.945 167 1HG LYS 23 2HG LYS 23 9.485 7.560 7.096 168 2HG LYS 23 3HG LYS 23 9.337 6.925 5.469 169 1HD LYS 23 2HD LYS 23 8.954 9.233 4.594 170 2HD LYS 23 3HD LYS 23 9.075 9.876 6.221 171 1HE LYS 23 2HE LYS 23 11.370 8.157 5.397 172 2HE LYS 23 3HE LYS 23 11.201 9.636 4.473 173 1HZ LYS 23 1HZ LYS 23 11.741 9.307 7.296 174 2HZ LYS 23 2HZ LYS 23 12.374 10.374 6.235 175 3HZ LYS 23 3HZ LYS 23 10.880 10.621 6.848 176 H LEU 24 HN LEU 24 5.270 5.780 6.932 177 HA LEU 24 HA LEU 24 3.010 7.268 7.046 178 1HB LEU 24 2HB LEU 24 3.472 4.331 7.528 179 2HB LEU 24 3HB LEU 24 1.864 5.028 7.476 180 HG LEU 24 HG LEU 24 2.468 5.919 5.158 181 1HD1 LEU 24 1HD LEU 24 4.249 4.256 4.109 182 2HD1 LEU 24 2HD LEU 24 4.725 5.804 4.847 183 3HD1 LEU 24 3HD LEU 24 4.895 4.290 5.768 184 1HD2 LEU 24 1HD LEU 24 2.539 2.980 4.911 185 2HD2 LEU 24 2HD LEU 24 1.260 3.620 5.971 186 3HD2 LEU 24 3HD LEU 24 1.371 4.167 4.281 187 H GLY 25 HN GLY 25 3.141 4.711 9.530 188 1HA GLY 25 1HA GLY 25 3.507 5.356 11.877 189 2HA GLY 25 2HA GLY 25 2.540 6.782 11.559 190 H CYS 26 HN CYS 26 1.869 3.528 10.194 191 HA CYS 26 HA CYS 26 0.201 2.127 10.456 192 1HB CYS 26 2HB CYS 26 -0.702 3.131 13.096 193 2HB CYS 26 3HB CYS 26 -0.450 1.491 12.534 194 H ASP 27 HN ASP 27 -1.092 4.893 12.431 195 HA ASP 27 HA ASP 27 -3.581 4.932 11.631 196 1HB ASP 27 2HB ASP 27 -1.726 7.341 11.886 197 2HB ASP 27 3HB ASP 27 -3.469 7.494 11.779 198 H ALA 28 HN ALA 28 -0.750 6.200 9.783 199 HA ALA 28 HA ALA 28 -1.838 7.595 7.780 200 1HB ALA 28 1HB ALA 28 0.582 6.313 8.295 201 2HB ALA 28 2HB ALA 28 0.046 5.590 6.758 202 3HB ALA 28 3HB ALA 28 0.225 7.356 6.897 203 H CYS 29 HN CYS 29 -2.233 4.124 8.406 204 HA CYS 29 HA CYS 29 -3.891 3.994 5.992 205 1HB CYS 29 2HB CYS 29 -2.889 1.472 7.184 206 2HB CYS 29 3HB CYS 29 -3.183 1.896 5.508 207 H HIS 30 HN HIS 30 -3.371 2.258 9.159 208 HA HIS 30 HA HIS 30 -6.102 1.604 9.381 209 1HB HIS 30 2HB HIS 30 -4.000 1.632 11.561 210 2HB HIS 30 3HB HIS 30 -5.505 0.735 11.560 211 HD1 HIS 30 HD1 HIS 30 -5.602 -1.472 10.206 212 HD2 HIS 30 HD2 HIS 30 -1.947 0.559 9.889 213 HE1 HIS 30 HE1 HIS 30 -3.973 -3.100 9.108 214 H GLU 31 HN GLU 31 -6.953 2.193 11.920 215 HA GLU 31 HA GLU 31 -6.517 4.896 12.568 216 1HB GLU 31 2HB GLU 31 -8.308 4.568 10.466 217 2HB GLU 31 3HB GLU 31 -9.377 4.638 11.853 218 1HG GLU 31 2HG GLU 31 -7.574 6.689 12.408 219 2HG GLU 31 3HG GLU 31 -7.694 6.771 10.661 220 H GLY 32 HN GLY 32 -6.435 4.566 14.755 221 1HA GLY 32 1HA GLY 32 -6.992 3.866 16.818 222 2HA GLY 32 2HA GLY 32 -8.654 4.103 16.313 223 H THR 33 HN THR 33 -6.159 1.783 17.065 224 HA THR 33 HA THR 33 -6.128 -0.438 17.194 225 HB THR 33 HB THR 33 -9.166 -0.060 17.340 226 HG1 THR 33 HG1 THR 33 -7.520 1.135 18.799 227 1HG2 THR 33 1HG THR 33 -7.471 -2.157 18.757 228 2HG2 THR 33 2HG THR 33 -9.236 -2.134 18.525 229 3HG2 THR 33 3HG THR 33 -8.162 -2.484 17.150 230 HA PRO 34 HA PRO 34 -6.614 -1.350 12.931 231 1HB PRO 34 2HB PRO 34 -4.423 -2.970 12.723 232 2HB PRO 34 3HB PRO 34 -4.358 -1.236 12.483 233 1HG PRO 34 2HG PRO 34 -3.433 -2.821 14.799 234 2HG PRO 34 3HG PRO 34 -3.007 -1.182 14.352 235 1HD PRO 34 2HD PRO 34 -4.822 -1.978 16.425 236 2HD PRO 34 3HD PRO 34 -4.484 -0.341 15.899 237 H ALA 35 HN ALA 35 -5.874 -3.859 11.898 238 HA ALA 35 HA ALA 35 -6.612 -6.037 13.295 239 1HB ALA 35 1HB ALA 35 -8.758 -5.700 13.906 240 2HB ALA 35 2HB ALA 35 -8.916 -4.274 12.851 241 3HB ALA 35 3HB ALA 35 -9.167 -5.906 12.186 242 H LYS 36 HN LYS 36 -7.435 -4.216 10.278 243 HA LYS 36 HA LYS 36 -5.874 -5.830 8.656 244 1HB LYS 36 2HB LYS 36 -7.227 -7.434 7.737 245 2HB LYS 36 3HB LYS 36 -7.816 -7.438 9.387 246 1HG LYS 36 2HG LYS 36 -9.887 -7.037 8.546 247 2HG LYS 36 3HG LYS 36 -9.338 -5.416 8.168 248 1HD LYS 36 2HD LYS 36 -9.932 -6.028 6.028 249 2HD LYS 36 3HD LYS 36 -8.312 -6.695 6.007 250 1HE LYS 36 2HE LYS 36 -9.232 -8.915 6.753 251 2HE LYS 36 3HE LYS 36 -10.850 -8.241 6.726 252 1HZ LYS 36 1HZ LYS 36 -9.266 -9.138 4.568 253 2HZ LYS 36 2HZ LYS 36 -10.869 -8.831 4.615 254 3HZ LYS 36 3HZ LYS 36 -9.815 -7.623 4.298 255 H ILE 37 HN ILE 37 -6.773 -5.524 6.193 256 HA ILE 37 HA ILE 37 -8.015 -2.889 6.017 257 HB ILE 37 HB ILE 37 -5.334 -3.638 4.853 258 1HG1 ILE 37 2HG ILE 37 -6.260 -1.792 7.023 259 2HG1 ILE 37 3HG ILE 37 -4.889 -2.883 6.991 260 1HG2 ILE 37 1HG ILE 37 -5.340 -1.541 3.667 261 2HG2 ILE 37 2HG ILE 37 -6.771 -2.486 3.188 262 3HG2 ILE 37 3HG ILE 37 -6.942 -1.126 4.324 263 1HD1 ILE 37 1HD ILE 37 -3.738 -1.416 5.341 264 2HD1 ILE 37 2HD ILE 37 -5.133 -0.312 5.361 265 3HD1 ILE 37 3HD ILE 37 -4.147 -0.525 6.827 266 H ALA 38 HN ALA 38 -8.914 -2.449 3.860 267 HA ALA 38 HA ALA 38 -9.761 -4.949 2.636 268 1HB ALA 38 1HB ALA 38 -10.708 -2.105 2.119 269 2HB ALA 38 2HB ALA 38 -11.531 -3.620 1.673 270 3HB ALA 38 3HB ALA 38 -11.382 -3.159 3.385 271 H ILE 39 HN ILE 39 -7.666 -5.434 1.638 272 HA ILE 39 HA ILE 39 -6.964 -3.590 -0.523 273 HB ILE 39 HB ILE 39 -5.461 -5.683 1.012 274 1HG1 ILE 39 2HG ILE 39 -5.569 -3.316 1.814 275 2HG1 ILE 39 3HG ILE 39 -3.949 -3.909 1.506 276 1HG2 ILE 39 1HG ILE 39 -4.307 -6.312 -0.773 277 2HG2 ILE 39 2HG ILE 39 -5.198 -5.173 -1.809 278 3HG2 ILE 39 3HG ILE 39 -3.733 -4.637 -0.952 279 1HD1 ILE 39 1HD ILE 39 -4.960 -2.784 -0.952 280 2HD1 ILE 39 2HD ILE 39 -5.232 -1.616 0.363 281 3HD1 ILE 39 3HD ILE 39 -3.592 -2.226 0.039 282 H ASP 40 HN ASP 40 -7.403 -4.092 -2.612 283 HA ASP 40 HA ASP 40 -7.302 -6.615 -3.652 284 1HB ASP 40 2HB ASP 40 -9.674 -6.263 -2.137 285 2HB ASP 40 3HB ASP 40 -10.181 -6.061 -3.803 286 H LYS 41 HN LYS 41 -8.299 -6.604 -5.969 287 HA LYS 41 HA LYS 41 -7.572 -4.475 -7.413 288 1HB LYS 41 2HB LYS 41 -9.762 -6.498 -7.881 289 2HB LYS 41 3HB LYS 41 -9.370 -5.283 -9.079 290 1HG LYS 41 2HG LYS 41 -7.154 -6.111 -9.384 291 2HG LYS 41 3HG LYS 41 -7.166 -6.978 -7.862 292 1HD LYS 41 2HD LYS 41 -8.253 -8.803 -8.749 293 2HD LYS 41 3HD LYS 41 -9.303 -7.824 -9.754 294 1HE LYS 41 2HE LYS 41 -6.375 -7.912 -10.474 295 2HE LYS 41 3HE LYS 41 -7.332 -9.344 -10.801 296 1HZ LYS 41 1HZ LYS 41 -8.305 -8.321 -12.479 297 2HZ LYS 41 2HZ LYS 41 -8.674 -6.991 -11.605 298 3HZ LYS 41 3HZ LYS 41 -7.216 -7.113 -12.330 299 H LYS 42 HN LYS 42 -8.420 -2.508 -8.144 300 HA LYS 42 HA LYS 42 -9.915 -0.841 -8.332 301 1HB LYS 42 2HB LYS 42 -11.653 -2.858 -7.732 302 2HB LYS 42 3HB LYS 42 -11.885 -1.810 -6.347 303 1HG LYS 42 2HG LYS 42 -12.198 0.141 -7.939 304 2HG LYS 42 3HG LYS 42 -12.095 -0.983 -9.280 305 1HD LYS 42 2HD LYS 42 -14.175 -1.933 -8.839 306 2HD LYS 42 3HD LYS 42 -14.055 -1.670 -7.111 307 1HE LYS 42 2HE LYS 42 -15.623 -0.034 -7.610 308 2HE LYS 42 3HE LYS 42 -14.167 0.915 -7.832 309 1HZ LYS 42 1HZ LYS 42 -14.602 1.094 -9.973 310 2HZ LYS 42 2HZ LYS 42 -14.835 -0.511 -10.175 311 3HZ LYS 42 3HZ LYS 42 -16.074 0.441 -9.699 312 H SER 43 HN SER 43 -10.018 -2.164 -4.943 313 HA SER 43 HA SER 43 -9.768 0.412 -3.858 314 1HB SER 43 2HB SER 43 -9.924 -2.383 -2.870 315 2HB SER 43 3HB SER 43 -9.001 -1.314 -1.831 316 HG SER 43 HG SER 43 -10.797 -0.296 -1.235 317 H ALA 44 HN ALA 44 -7.509 -2.452 -3.780 318 HA ALA 44 HA ALA 44 -5.322 -1.079 -2.799 319 1HB ALA 44 1HB ALA 44 -5.463 -3.507 -2.847 320 2HB ALA 44 2HB ALA 44 -5.514 -3.507 -4.626 321 3HB ALA 44 3HB ALA 44 -4.035 -2.996 -3.778 322 H HIS 45 HN HIS 45 -6.929 -0.772 -5.836 323 HA HIS 45 HA HIS 45 -4.529 0.175 -7.162 324 1HB HIS 45 2HB HIS 45 -7.279 -0.621 -8.012 325 2HB HIS 45 3HB HIS 45 -6.437 0.560 -8.995 326 HD1 HIS 45 HD1 HIS 45 -6.711 -1.634 -10.713 327 HD2 HIS 45 HD2 HIS 45 -3.821 -1.844 -7.680 328 HE1 HIS 45 HE1 HIS 45 -5.077 -3.467 -11.407 329 H LYS 46 HN LYS 46 -7.695 1.313 -5.887 330 HA LYS 46 HA LYS 46 -6.578 3.963 -5.675 331 1HB LYS 46 2HB LYS 46 -9.165 3.666 -7.205 332 2HB LYS 46 3HB LYS 46 -8.178 5.099 -6.998 333 1HG LYS 46 2HG LYS 46 -6.337 4.019 -8.309 334 2HG LYS 46 3HG LYS 46 -7.325 2.588 -8.518 335 1HD LYS 46 2HD LYS 46 -9.104 4.338 -9.483 336 2HD LYS 46 3HD LYS 46 -7.685 5.334 -9.731 337 1HE LYS 46 2HE LYS 46 -6.770 2.952 -10.746 338 2HE LYS 46 3HE LYS 46 -8.481 2.791 -11.093 339 1HZ LYS 46 1HZ LYS 46 -6.577 4.637 -12.185 340 2HZ LYS 46 2HZ LYS 46 -7.914 3.993 -12.866 341 3HZ LYS 46 3HZ LYS 46 -8.044 5.278 -11.865 342 H ASP 47 HN ASP 47 -8.062 5.402 -4.374 343 HA ASP 47 HA ASP 47 -9.274 5.772 -2.616 344 1HB ASP 47 2HB ASP 47 -10.974 4.398 -4.182 345 2HB ASP 47 3HB ASP 47 -10.840 3.205 -2.905 346 H ALA 48 HN ALA 48 -6.977 3.594 -2.773 347 HA ALA 48 HA ALA 48 -7.202 2.829 0.008 348 1HB ALA 48 1HB ALA 48 -6.425 0.579 -1.771 349 2HB ALA 48 2HB ALA 48 -7.391 0.576 -0.275 350 3HB ALA 48 3HB ALA 48 -8.145 1.036 -1.822 351 H CYS 49 HN CYS 49 -5.389 2.693 -3.117 352 HA CYS 49 HA CYS 49 -2.939 2.973 -1.538 353 1HB CYS 49 2HB CYS 49 -3.546 1.605 -4.122 354 2HB CYS 49 3HB CYS 49 -1.956 2.311 -3.911 355 H LYS 50 HN LYS 50 -4.145 3.768 -4.887 356 HA LYS 50 HA LYS 50 -2.541 6.042 -5.131 357 1HB LYS 50 2HB LYS 50 -5.005 5.071 -6.590 358 2HB LYS 50 3HB LYS 50 -4.186 6.557 -7.028 359 1HG LYS 50 2HG LYS 50 -2.290 4.328 -6.676 360 2HG LYS 50 3HG LYS 50 -3.506 3.962 -7.883 361 1HD LYS 50 2HD LYS 50 -2.328 6.709 -8.038 362 2HD LYS 50 3HD LYS 50 -1.225 5.396 -8.399 363 1HE LYS 50 2HE LYS 50 -3.777 4.905 -9.716 364 2HE LYS 50 3HE LYS 50 -3.218 6.517 -10.115 365 1HZ LYS 50 1HZ LYS 50 -2.320 4.185 -11.179 366 2HZ LYS 50 2HZ LYS 50 -1.644 5.660 -11.374 367 3HZ LYS 50 3HZ LYS 50 -1.101 4.659 -10.202 368 H THR 51 HN THR 51 -2.753 7.218 -3.138 369 HA THR 51 HA THR 51 -4.672 9.269 -3.264 370 HB THR 51 HB THR 51 -6.109 7.291 -2.481 371 HG1 THR 51 HG1 THR 51 -7.006 9.176 -1.722 372 1HG2 THR 51 1HG THR 51 -4.215 6.399 -0.909 373 2HG2 THR 51 2HG THR 51 -4.674 7.737 0.172 374 3HG2 THR 51 3HG THR 51 -5.863 6.476 -0.238 375 H CYS 52 HN CYS 52 -2.425 7.322 -1.247 376 HA CYS 52 HA CYS 52 -1.641 9.807 0.065 377 1HB CYS 52 2HB CYS 52 -2.123 8.208 1.691 378 2HB CYS 52 3HB CYS 52 -1.373 6.906 0.790 379 H HIS 53 HN HIS 53 -0.867 7.656 -2.501 380 HA HIS 53 HA HIS 53 1.977 8.242 -2.335 381 1HB HIS 53 2HB HIS 53 0.319 6.132 -3.522 382 2HB HIS 53 3HB HIS 53 1.562 6.717 -4.609 383 HD1 HIS 53 HD1 HIS 53 4.102 6.554 -3.701 384 HD2 HIS 53 HD2 HIS 53 1.210 4.467 -1.492 385 HE1 HIS 53 HE1 HIS 53 5.378 4.900 -2.235 386 H LYS 54 HN LYS 54 -0.372 10.165 -3.012 387 HA LYS 54 HA LYS 54 0.452 10.876 -5.726 388 1HB LYS 54 2HB LYS 54 -1.897 11.829 -4.059 389 2HB LYS 54 3HB LYS 54 -1.550 12.322 -5.704 390 1HG LYS 54 2HG LYS 54 -1.784 9.995 -6.500 391 2HG LYS 54 3HG LYS 54 -1.994 9.420 -4.857 392 1HD LYS 54 2HD LYS 54 -4.229 9.636 -5.309 393 2HD LYS 54 3HD LYS 54 -3.964 11.328 -4.940 394 1HE LYS 54 2HE LYS 54 -3.188 11.134 -7.632 395 2HE LYS 54 3HE LYS 54 -4.558 10.047 -7.535 396 1HZ LYS 54 1HZ LYS 54 -5.875 11.788 -7.445 397 2HZ LYS 54 2HZ LYS 54 -5.140 12.368 -6.108 398 3HZ LYS 54 3HZ LYS 54 -4.602 12.799 -7.587 399 H SER 55 HN SER 55 2.569 11.291 -4.208 400 HA SER 55 HA SER 55 2.925 14.032 -4.348 401 1HB SER 55 2HB SER 55 1.627 14.282 -2.338 402 2HB SER 55 3HB SER 55 2.413 12.919 -1.566 403 HG SER 55 HG SER 55 3.094 15.449 -1.300 404 H ASN 56 HN ASN 56 3.893 11.158 -2.332 405 HA ASN 56 HA ASN 56 6.548 11.787 -2.162 406 1HB ASN 56 2HB ASN 56 6.870 9.493 -1.471 407 2HB ASN 56 3HB ASN 56 5.248 9.913 -0.959 408 1HD2 ASN 56 1HD ASN 56 7.179 7.807 -2.742 409 2HD2 ASN 56 2HD ASN 56 5.956 6.893 -3.558 410 H ASN 57 HN ASN 57 8.041 9.605 -3.203 411 HA ASN 57 HA ASN 57 7.528 9.793 -6.064 412 1HB ASN 57 2HB ASN 57 9.970 9.961 -6.454 413 2HB ASN 57 3HB ASN 57 9.445 11.273 -5.416 414 1HD2 ASN 57 1HD ASN 57 9.907 11.248 -3.213 415 2HD2 ASN 57 2HD ASN 57 11.159 10.265 -2.528 416 H GLY 58 HN GLY 58 7.507 7.746 -7.041 417 1HA GLY 58 1HA GLY 58 9.193 5.634 -6.532 418 2HA GLY 58 2HA GLY 58 7.851 5.417 -5.426 419 HA PRO 59 HA PRO 59 5.887 3.563 -8.860 420 1HB PRO 59 2HB PRO 59 3.585 2.789 -7.607 421 2HB PRO 59 3HB PRO 59 5.063 1.849 -7.563 422 1HG PRO 59 2HG PRO 59 3.868 3.523 -5.441 423 2HG PRO 59 3HG PRO 59 5.079 2.265 -5.294 424 1HD PRO 59 2HD PRO 59 5.527 5.096 -5.209 425 2HD PRO 59 3HD PRO 59 6.749 3.840 -5.180 426 H THR 60 HN THR 60 3.005 4.580 -7.233 427 HA THR 60 HA THR 60 1.447 6.072 -7.774 428 HB THR 60 HB THR 60 3.664 7.470 -9.359 429 HG1 THR 60 HG1 THR 60 4.097 8.389 -7.266 430 1HG2 THR 60 1HG THR 60 1.110 8.245 -9.422 431 2HG2 THR 60 2HG THR 60 1.450 8.794 -7.763 432 3HG2 THR 60 3HG THR 60 2.389 9.447 -9.128 433 H LYS 61 HN LYS 61 3.512 5.616 -10.726 434 HA LYS 61 HA LYS 61 1.051 5.295 -12.245 435 1HB LYS 61 2HB LYS 61 2.208 6.015 -14.054 436 2HB LYS 61 3HB LYS 61 3.233 6.729 -12.825 437 1HG LYS 61 2HG LYS 61 4.480 4.375 -12.908 438 2HG LYS 61 3HG LYS 61 3.714 4.240 -14.479 439 1HD LYS 61 2HD LYS 61 5.525 5.402 -15.247 440 2HD LYS 61 3HD LYS 61 4.701 6.814 -14.613 441 1HE LYS 61 2HE LYS 61 6.041 5.609 -12.389 442 2HE LYS 61 3HE LYS 61 7.189 5.600 -13.713 443 1HZ LYS 61 1HZ LYS 61 7.501 7.688 -13.029 444 2HZ LYS 61 2HZ LYS 61 6.191 8.030 -13.943 445 3HZ LYS 61 3HZ LYS 61 6.033 7.835 -12.330 446 H CYS 62 HN CYS 62 1.039 3.479 -13.928 447 HA CYS 62 HA CYS 62 1.022 1.070 -12.683 448 1HB CYS 62 2HB CYS 62 0.174 1.893 -15.043 449 2HB CYS 62 3HB CYS 62 1.671 1.177 -15.602 450 H GLY 63 HN GLY 63 2.484 -0.909 -13.643 451 1HA GLY 63 1HA GLY 63 4.485 -1.914 -13.362 452 2HA GLY 63 2HA GLY 63 5.057 -0.677 -14.464 453 H GLY 64 HN GLY 64 3.748 -0.078 -11.165 454 1HA GLY 64 1HA GLY 64 6.422 0.925 -10.399 455 2HA GLY 64 2HA GLY 64 4.896 1.585 -9.847 456 H CYS 65 HN CYS 65 3.404 0.019 -8.608 457 HA CYS 65 HA CYS 65 4.820 -1.008 -6.447 458 1HB CYS 65 2HB CYS 65 2.028 -1.880 -7.136 459 2HB CYS 65 3HB CYS 65 2.753 -1.649 -5.557 460 H HIS 66 HN HIS 66 3.332 -2.508 -9.379 461 HA HIS 66 HA HIS 66 3.922 -5.150 -8.581 462 1HB HIS 66 2HB HIS 66 3.129 -3.867 -11.197 463 2HB HIS 66 3HB HIS 66 3.489 -5.578 -11.084 464 HD1 HIS 66 HD1 HIS 66 1.642 -7.102 -10.267 465 HD2 HIS 66 HD2 HIS 66 0.850 -3.050 -9.520 466 HE1 HIS 66 HE1 HIS 66 -0.759 -6.988 -9.411 467 H ILE 67 HN ILE 67 5.996 -5.786 -8.208 468 HA ILE 67 HA ILE 67 8.142 -4.606 -9.707 469 HB ILE 67 HB ILE 67 8.133 -6.817 -7.648 470 1HG1 ILE 67 2HG ILE 67 7.263 -4.932 -6.549 471 2HG1 ILE 67 3HG ILE 67 8.968 -4.945 -6.146 472 1HG2 ILE 67 1HG ILE 67 10.391 -6.863 -7.701 473 2HG2 ILE 67 2HG ILE 67 10.136 -6.319 -9.376 474 3HG2 ILE 67 3HG ILE 67 10.533 -5.136 -8.107 475 1HD1 ILE 67 1HD ILE 67 7.452 -3.068 -7.941 476 2HD1 ILE 67 2HD ILE 67 8.734 -2.717 -6.758 477 3HD1 ILE 67 3HD ILE 67 9.152 -3.412 -8.343 478 H LYS 68 HN LYS 68 7.392 -5.246 -11.872 479 HA LYS 68 HA LYS 68 7.412 -8.078 -12.430 480 1HB LYS 68 2HB LYS 68 6.186 -5.800 -13.551 481 2HB LYS 68 3HB LYS 68 7.321 -6.361 -14.762 482 1HG LYS 68 2HG LYS 68 5.952 -8.640 -13.555 483 2HG LYS 68 3HG LYS 68 4.775 -7.475 -14.126 484 1HD LYS 68 2HD LYS 68 5.591 -7.565 -16.375 485 2HD LYS 68 3HD LYS 68 7.106 -8.302 -15.891 486 1HE LYS 68 2HE LYS 68 6.129 -10.279 -16.481 487 2HE LYS 68 3HE LYS 68 5.288 -10.165 -14.948 488 1HZ LYS 68 1HZ LYS 68 3.473 -9.112 -16.033 489 2HZ LYS 68 2HZ LYS 68 4.269 -9.022 -17.456 490 3HZ LYS 68 3HZ LYS 68 3.821 -10.476 -16.861 491 HHA HEC 98 HGM HEC 98 -3.746 -5.933 8.326 492 HHB HEC 98 HDM HEC 98 -1.320 -3.418 13.499 493 HHC HEC 98 HAM HEC 98 1.659 0.853 9.894 494 HHD HEC 98 HBM HEC 98 -1.218 -1.505 4.896 495 1HMA HEC 98 1HM HEC 98 -3.114 -6.885 13.406 496 2HMA HEC 98 2HM HEC 98 -1.499 -6.212 13.733 497 3HMA HEC 98 3HM HEC 98 -2.952 -5.248 14.086 498 1HAA HEC 98 1HA HEC 98 -3.933 -7.690 11.589 499 2HAA HEC 98 2HA HEC 98 -4.541 -7.058 10.041 500 1HBA HEC 98 3HB HEC 98 -3.356 -8.861 9.160 501 2HBA HEC 98 4HB HEC 98 -1.977 -7.746 9.300 502 1HMB HEC 98 1HM HEC 98 0.529 -0.479 14.993 503 2HMB HEC 98 2HM HEC 98 -1.139 -1.052 14.761 504 3HMB HEC 98 3HM HEC 98 0.190 -2.224 14.924 505 HAB HEC 98 HT2 HEC 98 2.061 1.353 11.810 506 1HBB HEC 98 1HT HEC 98 3.181 -0.781 13.368 507 2HBB HEC 98 2HT HEC 98 3.918 0.437 12.300 508 3HBB HEC 98 3HT HEC 98 3.527 0.852 13.987 509 1HMC HEC 98 1HM HEC 98 2.690 1.786 8.393 510 2HMC HEC 98 2HM HEC 98 2.554 2.091 6.645 511 3HMC HEC 98 3HM HEC 98 1.439 2.891 7.777 512 HAC HEC 98 HT4 HEC 98 0.231 2.159 5.074 513 1HBC HEC 98 1HT HEC 98 -1.902 0.420 5.207 514 2HBC HEC 98 2HT HEC 98 -1.673 1.656 3.948 515 3HBC HEC 98 3HT HEC 98 -1.170 -0.024 3.647 516 1HMD HEC 98 1HM HEC 98 -1.857 -2.888 3.340 517 2HMD HEC 98 2HM HEC 98 -3.088 -4.172 3.273 518 3HMD HEC 98 3HM HEC 98 -3.571 -2.492 3.606 519 1HAD HEC 98 1HA HEC 98 -3.974 -6.536 6.149 520 2HAD HEC 98 2HA HEC 98 -4.657 -5.496 4.878 521 1HBD HEC 98 3HB HEC 98 -2.154 -5.805 3.933 522 2HBD HEC 98 4HB HEC 98 -2.354 -7.343 4.807 523 HHA HEC 128 HGM HEC 128 8.120 3.696 -1.233 524 HHB HEC 128 HDM HEC 128 3.697 -0.260 -3.169 525 HHC HEC 128 HAM HEC 128 -0.331 2.409 0.926 526 HHD HEC 128 HBM HEC 128 4.071 6.566 2.394 527 1HMA HEC 128 1HM HEC 128 5.598 -0.698 -4.359 528 2HMA HEC 128 2HM HEC 128 7.363 -0.489 -4.271 529 3HMA HEC 128 3HM HEC 128 6.527 -1.504 -3.073 530 1HAA HEC 128 1HA HEC 128 8.881 1.766 -3.558 531 2HAA HEC 128 2HA HEC 128 9.186 2.158 -1.849 532 1HBA HEC 128 3HB HEC 128 10.268 0.113 -1.777 533 2HBA HEC 128 4HB HEC 128 8.629 -0.579 -1.724 534 1HMB HEC 128 1HM HEC 128 1.035 -0.212 -4.141 535 2HMB HEC 128 2HM HEC 128 1.819 -1.528 -3.235 536 3HMB HEC 128 3HM HEC 128 0.074 -1.238 -3.050 537 HAB HEC 128 HT2 HEC 128 -1.503 1.202 -0.448 538 1HBB HEC 128 1HT HEC 128 -0.271 -0.692 0.982 539 2HBB HEC 128 2HT HEC 128 -1.995 -0.253 1.024 540 3HBB HEC 128 3HT HEC 128 -1.450 -1.626 0.032 541 1HMC HEC 128 1HM HEC 128 -1.170 3.281 2.582 542 2HMC HEC 128 2HM HEC 128 -0.965 4.730 3.595 543 3HMC HEC 128 3HM HEC 128 -1.558 4.887 1.924 544 HAC HEC 128 HT4 HEC 128 2.209 7.222 3.363 545 1HBC HEC 128 1HT HEC 128 0.565 7.596 4.972 546 2HBC HEC 128 2HT HEC 128 -0.711 6.818 4.006 547 3HBC HEC 128 3HT HEC 128 0.513 5.823 4.829 548 1HMD HEC 128 1HM HEC 128 7.539 7.808 2.150 549 2HMD HEC 128 2HM HEC 128 5.878 8.331 1.782 550 3HMD HEC 128 3HM HEC 128 6.197 7.328 3.215 551 1HAD HEC 128 1HA HEC 128 9.262 5.217 -0.012 552 2HAD HEC 128 2HA HEC 128 8.897 6.884 0.495 553 1HBD HEC 128 3HB HEC 128 9.459 6.488 2.624 554 2HBD HEC 128 4HB HEC 128 8.716 4.871 2.634 555 HHA HEC 158 HGM HEC 158 -3.236 -7.636 -7.037 556 HHB HEC 158 HDM HEC 158 -2.745 -6.179 -13.087 557 HHC HEC 158 HAM HEC 158 -1.164 -0.275 -11.425 558 HHD HEC 158 HBM HEC 158 -1.256 -2.038 -5.450 559 1HMA HEC 158 1HM HEC 158 -3.345 -9.320 -12.265 560 2HMA HEC 158 2HM HEC 158 -5.042 -8.892 -11.943 561 3HMA HEC 158 3HM HEC 158 -4.061 -7.882 -13.030 562 1HAA HEC 158 1HA HEC 158 -4.356 -8.966 -7.857 563 2HAA HEC 158 2HA HEC 158 -5.385 -9.302 -9.270 564 1HBA HEC 158 3HB HEC 158 -2.788 -10.071 -10.110 565 2HBA HEC 158 4HB HEC 158 -2.883 -10.640 -8.427 566 1HMB HEC 158 1HM HEC 158 -0.736 -4.619 -15.065 567 2HMB HEC 158 2HM HEC 158 -2.366 -5.296 -14.845 568 3HMB HEC 158 3HM HEC 158 -2.159 -3.712 -15.628 569 HAB HEC 158 HT2 HEC 158 -0.385 -0.776 -13.775 570 1HBB HEC 158 1HT HEC 158 -2.450 0.532 -14.781 571 2HBB HEC 158 2HT HEC 158 -3.204 -0.282 -13.391 572 3HBB HEC 158 3HT HEC 158 -1.764 0.736 -13.153 573 1HMC HEC 158 1HM HEC 158 -0.127 1.266 -10.602 574 2HMC HEC 158 2HM HEC 158 -1.359 2.049 -9.585 575 3HMC HEC 158 3HM HEC 158 0.317 1.907 -9.003 576 HAC HEC 158 HT4 HEC 158 -0.435 0.009 -5.514 577 1HBC HEC 158 1HT HEC 158 -1.309 2.154 -6.814 578 2HBC HEC 158 2HT HEC 158 -0.250 2.319 -5.394 579 3HBC HEC 158 3HT HEC 158 0.430 2.463 -7.032 580 1HMD HEC 158 1HM HEC 158 -0.777 -4.314 -3.197 581 2HMD HEC 158 2HM HEC 158 -1.486 -2.742 -3.635 582 3HMD HEC 158 3HM HEC 158 -2.510 -4.014 -2.929 583 1HAD HEC 158 1HA HEC 158 -3.263 -6.036 -3.333 584 2HAD HEC 158 2HA HEC 158 -4.093 -6.930 -4.628 585 1HBD HEC 158 3HB HEC 158 -1.410 -7.692 -4.815 586 2HBD HEC 158 4HB HEC 158 -1.777 -7.657 -3.073 Start of MODEL 21 1 H ALA 1 HN ALA 1 2.936 -5.435 12.095 2 HA ALA 1 HA ALA 1 4.360 -7.908 11.652 3 1HB ALA 1 1HB ALA 1 2.993 -5.960 9.751 4 2HB ALA 1 2HB ALA 1 3.607 -7.575 9.322 5 3HB ALA 1 3HB ALA 1 2.254 -7.413 10.467 6 H ASP 2 HN ASP 2 5.511 -7.306 9.100 7 HA ASP 2 HA ASP 2 7.446 -5.252 9.784 8 1HB ASP 2 2HB ASP 2 7.905 -8.161 9.382 9 2HB ASP 2 3HB ASP 2 8.960 -7.149 8.418 10 H VAL 3 HN VAL 3 6.199 -7.639 7.342 11 HA VAL 3 HA VAL 3 5.701 -5.684 5.409 12 HB VAL 3 HB VAL 3 8.160 -5.579 5.334 13 1HG1 VAL 3 1HG VAL 3 8.102 -8.300 5.715 14 2HG1 VAL 3 2HG VAL 3 8.490 -8.175 3.983 15 3HG1 VAL 3 3HG VAL 3 9.522 -7.365 5.187 16 1HG2 VAL 3 1HG VAL 3 8.149 -6.506 2.746 17 2HG2 VAL 3 2HG VAL 3 6.415 -6.258 3.061 18 3HG2 VAL 3 3HG VAL 3 7.559 -4.910 3.271 19 H VAL 4 HN VAL 4 3.899 -6.569 4.552 20 HA VAL 4 HA VAL 4 3.595 -9.433 4.586 21 HB VAL 4 HB VAL 4 1.788 -7.214 3.604 22 1HG1 VAL 4 1HG VAL 4 1.073 -9.214 2.549 23 2HG1 VAL 4 2HG VAL 4 1.334 -10.179 4.022 24 3HG1 VAL 4 3HG VAL 4 0.003 -8.999 3.955 25 1HG2 VAL 4 1HG VAL 4 1.879 -6.771 5.857 26 2HG2 VAL 4 2HG VAL 4 0.584 -7.991 5.837 27 3HG2 VAL 4 3HG VAL 4 2.241 -8.458 6.291 28 H THR 5 HN THR 5 3.803 -10.820 2.870 29 HA THR 5 HA THR 5 4.621 -9.576 0.333 30 HB THR 5 HB THR 5 5.099 -12.431 1.320 31 HG1 THR 5 HG1 THR 5 6.684 -9.962 1.450 32 1HG2 THR 5 1HG THR 5 5.630 -11.141 -1.154 33 2HG2 THR 5 2HG THR 5 7.174 -11.103 -0.270 34 3HG2 THR 5 3HG THR 5 6.361 -12.657 -0.574 35 H TYR 6 HN TYR 6 3.624 -10.056 -1.594 36 HA TYR 6 HA TYR 6 1.326 -11.875 -1.399 37 1HB TYR 6 2HB TYR 6 1.648 -8.973 -2.183 38 2HB TYR 6 3HB TYR 6 0.618 -9.914 -3.243 39 HD1 TYR 6 HD1 TYR 6 -1.635 -9.631 -2.815 40 HD2 TYR 6 HD2 TYR 6 1.091 -9.668 0.482 41 HE1 TYR 6 HE1 TYR 6 -3.573 -9.321 -1.199 42 HE2 TYR 6 HE2 TYR 6 -0.856 -9.357 2.087 43 HH TYR 6 HH TYR 6 -3.223 -9.779 2.144 44 H GLU 7 HN GLU 7 2.171 -13.594 -2.566 45 HA GLU 7 HA GLU 7 3.766 -13.139 -4.843 46 1HB GLU 7 2HB GLU 7 2.735 -15.456 -3.314 47 2HB GLU 7 3HB GLU 7 2.895 -15.773 -5.030 48 1HG GLU 7 2HG GLU 7 5.273 -14.626 -4.747 49 2HG GLU 7 3HG GLU 7 5.045 -14.981 -3.047 50 H ASN 8 HN ASN 8 3.223 -13.145 -7.037 51 HA ASN 8 HA ASN 8 0.537 -13.885 -7.739 52 1HB ASN 8 2HB ASN 8 1.653 -11.064 -7.961 53 2HB ASN 8 3HB ASN 8 0.479 -11.620 -9.137 54 1HD2 ASN 8 1HD ASN 8 0.968 -10.253 -6.124 55 2HD2 ASN 8 2HD ASN 8 -0.626 -10.387 -5.457 56 H LYS 9 HN LYS 9 0.371 -13.459 -10.343 57 HA LYS 9 HA LYS 9 2.771 -14.656 -11.429 58 1HB LYS 9 2HB LYS 9 0.027 -14.964 -11.880 59 2HB LYS 9 3HB LYS 9 0.609 -14.142 -13.314 60 1HG LYS 9 2HG LYS 9 2.009 -16.591 -12.156 61 2HG LYS 9 3HG LYS 9 0.723 -16.719 -13.340 62 1HD LYS 9 2HD LYS 9 2.037 -15.297 -14.924 63 2HD LYS 9 3HD LYS 9 3.319 -15.155 -13.739 64 1HE LYS 9 2HE LYS 9 3.686 -17.608 -13.793 65 2HE LYS 9 3HE LYS 9 2.343 -17.809 -14.900 66 1HZ LYS 9 1HZ LYS 9 4.816 -17.503 -15.700 67 2HZ LYS 9 2HZ LYS 9 3.544 -17.014 -16.600 68 3HZ LYS 9 3HZ LYS 9 4.375 -15.931 -15.704 69 H LYS 10 HN LYS 10 0.551 -12.008 -12.566 70 HA LYS 10 HA LYS 10 2.264 -10.865 -14.334 71 1HB LYS 10 2HB LYS 10 -0.019 -9.863 -12.682 72 2HB LYS 10 3HB LYS 10 0.954 -8.684 -13.538 73 1HG LYS 10 2HG LYS 10 0.273 -11.042 -15.196 74 2HG LYS 10 3HG LYS 10 -1.139 -10.170 -14.636 75 1HD LYS 10 2HD LYS 10 -0.780 -8.554 -16.181 76 2HD LYS 10 3HD LYS 10 0.785 -8.205 -15.475 77 1HE LYS 10 2HE LYS 10 1.843 -9.975 -16.848 78 2HE LYS 10 3HE LYS 10 0.283 -10.443 -17.496 79 1HZ LYS 10 1HZ LYS 10 0.206 -7.955 -18.153 80 2HZ LYS 10 2HZ LYS 10 1.832 -8.051 -18.041 81 3HZ LYS 10 3HZ LYS 10 1.026 -9.022 -19.077 82 H GLY 11 HN GLY 11 1.860 -9.877 -10.856 83 1HA GLY 11 1HA GLY 11 4.674 -9.528 -10.523 84 2HA GLY 11 2HA GLY 11 3.858 -7.993 -10.742 85 H ASN 12 HN ASN 12 5.207 -9.129 -8.313 86 HA ASN 12 HA ASN 12 2.970 -9.616 -6.566 87 1HB ASN 12 2HB ASN 12 5.949 -9.413 -5.885 88 2HB ASN 12 3HB ASN 12 4.698 -10.090 -4.861 89 1HD2 ASN 12 1HD ASN 12 6.871 -11.567 -5.414 90 2HD2 ASN 12 2HD ASN 12 6.506 -12.884 -6.478 91 H VAL 13 HN VAL 13 2.633 -8.235 -4.614 92 HA VAL 13 HA VAL 13 3.906 -5.600 -4.821 93 HB VAL 13 HB VAL 13 1.811 -5.231 -5.780 94 1HG1 VAL 13 1HG VAL 13 0.864 -7.469 -5.147 95 2HG1 VAL 13 2HG VAL 13 0.464 -6.788 -3.551 96 3HG1 VAL 13 3HG VAL 13 -0.290 -6.119 -5.018 97 1HG2 VAL 13 1HG VAL 13 0.694 -4.507 -3.201 98 2HG2 VAL 13 2HG VAL 13 2.429 -4.118 -3.280 99 3HG2 VAL 13 3HG VAL 13 1.314 -3.466 -4.505 100 H THR 14 HN THR 14 5.374 -6.532 -3.183 101 HA THR 14 HA THR 14 4.325 -7.425 -0.698 102 HB THR 14 HB THR 14 7.111 -6.363 -1.397 103 HG1 THR 14 HG1 THR 14 5.723 -8.937 -1.658 104 1HG2 THR 14 1HG THR 14 7.567 -8.473 0.179 105 2HG2 THR 14 2HG THR 14 7.210 -6.886 0.903 106 3HG2 THR 14 3HG THR 14 5.928 -8.115 0.776 107 H PHE 15 HN PHE 15 3.277 -6.252 0.768 108 HA PHE 15 HA PHE 15 3.247 -3.448 0.669 109 1HB PHE 15 2HB PHE 15 2.535 -5.544 2.807 110 2HB PHE 15 3HB PHE 15 2.096 -3.853 2.957 111 HD1 PHE 15 HD1 PHE 15 1.492 -6.943 1.052 112 HD2 PHE 15 HD2 PHE 15 0.259 -2.938 1.722 113 HE1 PHE 15 HE1 PHE 15 -0.623 -7.379 -0.229 114 HE2 PHE 15 HE2 PHE 15 -1.855 -3.374 0.441 115 HZ PHE 15 HZ PHE 15 -2.271 -5.589 -0.520 116 H ASP 16 HN ASP 16 3.463 -2.513 3.269 117 HA ASP 16 HA ASP 16 6.062 -3.300 4.215 118 1HB ASP 16 2HB ASP 16 5.757 -0.351 4.007 119 2HB ASP 16 3HB ASP 16 7.179 -1.342 3.749 120 H HIS 17 HN HIS 17 5.580 -3.606 6.397 121 HA HIS 17 HA HIS 17 3.563 -1.868 7.578 122 1HB HIS 17 2HB HIS 17 3.972 -4.610 7.695 123 2HB HIS 17 3HB HIS 17 4.607 -4.051 9.229 124 HD1 HIS 17 HD1 HIS 17 2.912 -3.867 11.049 125 HD2 HIS 17 HD2 HIS 17 1.188 -3.458 7.247 126 HE1 HIS 17 HE1 HIS 17 0.396 -3.653 11.423 127 H LYS 18 HN LYS 18 6.825 -3.277 8.355 128 HA LYS 18 HA LYS 18 7.223 -1.119 10.259 129 1HB LYS 18 2HB LYS 18 7.732 -3.512 10.819 130 2HB LYS 18 3HB LYS 18 9.009 -3.483 9.620 131 1HG LYS 18 2HG LYS 18 10.388 -2.642 11.212 132 2HG LYS 18 3HG LYS 18 9.461 -1.156 11.153 133 1HD LYS 18 2HD LYS 18 8.260 -3.362 12.780 134 2HD LYS 18 3HD LYS 18 9.746 -2.682 13.411 135 1HE LYS 18 2HE LYS 18 8.507 -0.356 12.846 136 2HE LYS 18 3HE LYS 18 7.072 -1.349 13.001 137 1HZ LYS 18 1HZ LYS 18 8.669 -0.336 15.025 138 2HZ LYS 18 2HZ LYS 18 7.311 -1.232 15.168 139 3HZ LYS 18 3HZ LYS 18 8.768 -1.965 15.102 140 H ALA 19 HN ALA 19 7.828 -1.905 6.943 141 HA ALA 19 HA ALA 19 10.242 -0.373 6.727 142 1HB ALA 19 1HB ALA 19 9.082 -0.702 4.185 143 2HB ALA 19 2HB ALA 19 10.331 -1.728 4.932 144 3HB ALA 19 3HB ALA 19 8.611 -2.156 5.096 145 H HIS 20 HN HIS 20 6.783 0.217 6.750 146 HA HIS 20 HA HIS 20 7.222 2.848 5.564 147 1HB HIS 20 2HB HIS 20 4.877 1.017 5.818 148 2HB HIS 20 3HB HIS 20 4.561 2.741 5.838 149 HD1 HIS 20 HD1 HIS 20 7.388 1.430 3.720 150 HD2 HIS 20 HD2 HIS 20 3.393 2.625 3.261 151 HE1 HIS 20 HE1 HIS 20 6.991 1.645 1.209 152 H ALA 21 HN ALA 21 5.666 1.207 8.404 153 HA ALA 21 HA ALA 21 4.903 3.401 9.816 154 1HB ALA 21 1HB ALA 21 6.070 0.745 10.726 155 2HB ALA 21 2HB ALA 21 5.323 1.920 11.835 156 3HB ALA 21 3HB ALA 21 4.353 1.176 10.542 157 H GLU 22 HN GLU 22 8.187 1.953 9.520 158 HA GLU 22 HA GLU 22 9.558 3.130 11.430 159 1HB GLU 22 2HB GLU 22 11.504 3.142 9.944 160 2HB GLU 22 3HB GLU 22 10.525 1.726 9.615 161 1HG GLU 22 2HG GLU 22 9.618 2.677 7.602 162 2HG GLU 22 3HG GLU 22 10.148 4.293 8.027 163 H LYS 23 HN LYS 23 8.013 4.787 8.697 164 HA LYS 23 HA LYS 23 8.906 7.325 9.869 165 1HB LYS 23 2HB LYS 23 8.796 6.556 6.943 166 2HB LYS 23 3HB LYS 23 8.851 8.220 7.488 167 1HG LYS 23 2HG LYS 23 10.895 6.184 8.457 168 2HG LYS 23 3HG LYS 23 11.111 7.026 6.936 169 1HD LYS 23 2HD LYS 23 10.466 9.117 8.654 170 2HD LYS 23 3HD LYS 23 11.367 8.049 9.712 171 1HE LYS 23 2HE LYS 23 13.156 9.209 8.808 172 2HE LYS 23 3HE LYS 23 13.038 7.947 7.598 173 1HZ LYS 23 1HZ LYS 23 12.154 10.710 7.430 174 2HZ LYS 23 2HZ LYS 23 12.993 9.825 6.343 175 3HZ LYS 23 3HZ LYS 23 11.387 9.587 6.526 176 H LEU 24 HN LEU 24 6.473 5.595 7.820 177 HA LEU 24 HA LEU 24 4.560 7.618 7.895 178 1HB LEU 24 2HB LEU 24 4.648 4.727 7.254 179 2HB LEU 24 3HB LEU 24 3.071 5.388 7.636 180 HG LEU 24 HG LEU 24 4.541 7.064 5.742 181 1HD1 LEU 24 1HD LEU 24 5.246 4.538 5.316 182 2HD1 LEU 24 2HD LEU 24 3.665 4.499 4.497 183 3HD1 LEU 24 3HD LEU 24 4.907 5.666 3.982 184 1HD2 LEU 24 1HD LEU 24 2.460 7.591 5.179 185 2HD2 LEU 24 2HD LEU 24 2.091 5.903 4.753 186 3HD2 LEU 24 3HD LEU 24 1.884 6.463 6.430 187 H GLY 25 HN GLY 25 3.462 4.600 9.337 188 1HA GLY 25 1HA GLY 25 3.614 4.630 11.922 189 2HA GLY 25 2HA GLY 25 2.689 6.108 11.738 190 H CYS 26 HN CYS 26 1.455 4.186 13.183 191 HA CYS 26 HA CYS 26 -0.080 2.466 11.488 192 1HB CYS 26 2HB CYS 26 -0.922 2.903 14.292 193 2HB CYS 26 3HB CYS 26 -0.756 1.418 13.376 194 H ASP 27 HN ASP 27 -0.282 5.677 12.979 195 HA ASP 27 HA ASP 27 -3.106 5.840 12.599 196 1HB ASP 27 2HB ASP 27 -2.908 8.050 13.544 197 2HB ASP 27 3HB ASP 27 -1.816 7.018 14.446 198 H ALA 28 HN ALA 28 -0.430 5.899 10.571 199 HA ALA 28 HA ALA 28 -1.353 8.097 8.903 200 1HB ALA 28 1HB ALA 28 0.736 7.781 7.721 201 2HB ALA 28 2HB ALA 28 1.079 7.749 9.468 202 3HB ALA 28 3HB ALA 28 1.021 6.229 8.545 203 H CYS 29 HN CYS 29 -1.792 4.702 9.347 204 HA CYS 29 HA CYS 29 -2.927 4.560 6.652 205 1HB CYS 29 2HB CYS 29 -1.267 2.500 8.095 206 2HB CYS 29 3HB CYS 29 -2.370 2.061 6.806 207 H HIS 30 HN HIS 30 -2.835 3.242 10.033 208 HA HIS 30 HA HIS 30 -5.672 2.595 9.729 209 1HB HIS 30 2HB HIS 30 -3.743 1.561 11.821 210 2HB HIS 30 3HB HIS 30 -5.382 1.014 11.533 211 HD1 HIS 30 HD1 HIS 30 -5.805 -0.528 9.456 212 HD2 HIS 30 HD2 HIS 30 -1.796 0.565 10.029 213 HE1 HIS 30 HE1 HIS 30 -4.425 -2.062 7.955 214 H GLU 31 HN GLU 31 -6.264 2.463 12.535 215 HA GLU 31 HA GLU 31 -5.484 4.480 14.095 216 1HB GLU 31 2HB GLU 31 -6.838 5.592 11.803 217 2HB GLU 31 3HB GLU 31 -7.841 5.870 13.212 218 1HG GLU 31 2HG GLU 31 -6.144 7.099 14.343 219 2HG GLU 31 3HG GLU 31 -4.864 6.433 13.348 220 H GLY 32 HN GLY 32 -6.711 4.512 16.040 221 1HA GLY 32 1HA GLY 32 -8.331 3.918 17.494 222 2HA GLY 32 2HA GLY 32 -9.408 3.597 16.149 223 H THR 33 HN THR 33 -8.525 1.549 14.732 224 HA THR 33 HA THR 33 -7.434 -0.513 16.451 225 HB THR 33 HB THR 33 -10.327 -0.364 15.533 226 HG1 THR 33 HG1 THR 33 -9.463 0.133 17.753 227 1HG2 THR 33 1HG THR 33 -10.216 -2.567 14.877 228 2HG2 THR 33 2HG THR 33 -8.565 -2.753 15.517 229 3HG2 THR 33 3HG THR 33 -9.964 -2.918 16.604 230 HA PRO 34 HA PRO 34 -5.835 -1.190 12.450 231 1HB PRO 34 2HB PRO 34 -3.691 -2.696 13.225 232 2HB PRO 34 3HB PRO 34 -3.655 -0.945 13.147 233 1HG PRO 34 2HG PRO 34 -3.822 -2.690 15.527 234 2HG PRO 34 3HG PRO 34 -3.362 -1.002 15.434 235 1HD PRO 34 2HD PRO 34 -5.877 -2.049 16.332 236 2HD PRO 34 3HD PRO 34 -5.458 -0.360 16.128 237 H ALA 35 HN ALA 35 -6.962 -2.431 11.100 238 HA ALA 35 HA ALA 35 -6.928 -5.278 11.781 239 1HB ALA 35 1HB ALA 35 -9.081 -4.704 12.538 240 2HB ALA 35 2HB ALA 35 -9.320 -3.507 11.243 241 3HB ALA 35 3HB ALA 35 -9.368 -5.246 10.867 242 H LYS 36 HN LYS 36 -7.425 -6.654 9.834 243 HA LYS 36 HA LYS 36 -5.793 -6.076 7.744 244 1HB LYS 36 2HB LYS 36 -6.984 -7.851 6.531 245 2HB LYS 36 3HB LYS 36 -6.649 -8.298 8.192 246 1HG LYS 36 2HG LYS 36 -8.861 -8.516 8.673 247 2HG LYS 36 3HG LYS 36 -9.230 -6.933 8.016 248 1HD LYS 36 2HD LYS 36 -8.671 -8.519 5.742 249 2HD LYS 36 3HD LYS 36 -9.584 -9.581 6.794 250 1HE LYS 36 2HE LYS 36 -10.713 -6.849 6.681 251 2HE LYS 36 3HE LYS 36 -10.665 -7.624 5.110 252 1HZ LYS 36 1HZ LYS 36 -12.677 -8.124 6.337 253 2HZ LYS 36 2HZ LYS 36 -11.830 -9.487 6.031 254 3HZ LYS 36 3HZ LYS 36 -11.816 -8.834 7.529 255 H ILE 37 HN ILE 37 -5.797 -4.166 6.646 256 HA ILE 37 HA ILE 37 -8.104 -2.673 6.152 257 HB ILE 37 HB ILE 37 -5.303 -2.465 5.761 258 1HG1 ILE 37 2HG ILE 37 -7.650 -0.573 5.716 259 2HG1 ILE 37 3HG ILE 37 -6.451 -0.807 6.972 260 1HG2 ILE 37 1HG ILE 37 -5.864 -3.062 3.379 261 2HG2 ILE 37 2HG ILE 37 -6.816 -1.561 3.303 262 3HG2 ILE 37 3HG ILE 37 -5.064 -1.489 3.607 263 1HD1 ILE 37 1HD ILE 37 -4.685 0.115 5.460 264 2HD1 ILE 37 2HD ILE 37 -5.922 0.382 4.209 265 3HD1 ILE 37 3HD ILE 37 -5.999 1.282 5.744 266 H ALA 38 HN ALA 38 -8.703 -2.029 3.750 267 HA ALA 38 HA ALA 38 -9.925 -4.269 2.629 268 1HB ALA 38 1HB ALA 38 -10.820 -2.041 2.339 269 2HB ALA 38 2HB ALA 38 -9.326 -1.490 1.544 270 3HB ALA 38 3HB ALA 38 -10.383 -2.669 0.731 271 H ILE 39 HN ILE 39 -8.540 -2.646 -0.004 272 HA ILE 39 HA ILE 39 -7.053 -3.197 -1.540 273 HB ILE 39 HB ILE 39 -5.599 -4.494 0.766 274 1HG1 ILE 39 2HG ILE 39 -6.150 -1.953 0.758 275 2HG1 ILE 39 3HG ILE 39 -4.527 -2.488 1.147 276 1HG2 ILE 39 1HG ILE 39 -4.561 -5.495 -1.022 277 2HG2 ILE 39 2HG ILE 39 -4.876 -4.128 -2.118 278 3HG2 ILE 39 3HG ILE 39 -3.610 -3.998 -0.875 279 1HD1 ILE 39 1HD ILE 39 -4.520 -0.589 -0.470 280 2HD1 ILE 39 2HD ILE 39 -3.788 -2.051 -1.173 281 3HD1 ILE 39 3HD ILE 39 -5.445 -1.581 -1.622 282 H ASP 40 HN ASP 40 -8.102 -4.470 -2.997 283 HA ASP 40 HA ASP 40 -7.477 -7.060 -3.310 284 1HB ASP 40 2HB ASP 40 -10.038 -7.852 -2.668 285 2HB ASP 40 3HB ASP 40 -8.631 -8.143 -1.666 286 H LYS 41 HN LYS 41 -7.822 -7.032 -5.536 287 HA LYS 41 HA LYS 41 -8.811 -6.798 -7.496 288 1HB LYS 41 2HB LYS 41 -11.490 -6.424 -6.159 289 2HB LYS 41 3HB LYS 41 -11.134 -7.128 -7.724 290 1HG LYS 41 2HG LYS 41 -9.633 -8.723 -5.983 291 2HG LYS 41 3HG LYS 41 -11.070 -8.379 -5.042 292 1HD LYS 41 2HD LYS 41 -12.055 -8.950 -7.631 293 2HD LYS 41 3HD LYS 41 -10.764 -10.111 -7.395 294 1HE LYS 41 2HE LYS 41 -12.272 -11.343 -6.214 295 2HE LYS 41 3HE LYS 41 -12.067 -10.172 -4.927 296 1HZ LYS 41 1HZ LYS 41 -14.181 -10.327 -6.916 297 2HZ LYS 41 2HZ LYS 41 -14.296 -10.106 -5.302 298 3HZ LYS 41 3HZ LYS 41 -13.819 -8.875 -6.263 299 H LYS 42 HN LYS 42 -11.440 -4.992 -7.568 300 HA LYS 42 HA LYS 42 -10.039 -2.656 -8.313 301 1HB LYS 42 2HB LYS 42 -12.981 -3.296 -7.999 302 2HB LYS 42 3HB LYS 42 -12.395 -1.744 -8.560 303 1HG LYS 42 2HG LYS 42 -10.978 -3.201 -10.270 304 2HG LYS 42 3HG LYS 42 -12.147 -4.452 -9.895 305 1HD LYS 42 2HD LYS 42 -13.180 -3.402 -11.716 306 2HD LYS 42 3HD LYS 42 -13.946 -2.577 -10.373 307 1HE LYS 42 2HE LYS 42 -11.876 -0.899 -10.628 308 2HE LYS 42 3HE LYS 42 -11.804 -1.560 -12.250 309 1HZ LYS 42 1HZ LYS 42 -13.902 -0.777 -12.720 310 2HZ LYS 42 2HZ LYS 42 -14.341 -0.614 -11.155 311 3HZ LYS 42 3HZ LYS 42 -13.281 0.436 -11.820 312 H SER 43 HN SER 43 -8.824 -2.526 -6.167 313 HA SER 43 HA SER 43 -10.213 -0.579 -4.587 314 1HB SER 43 2HB SER 43 -9.872 -3.325 -3.683 315 2HB SER 43 3HB SER 43 -8.960 -2.246 -2.647 316 HG SER 43 HG SER 43 -11.036 -2.335 -1.784 317 H ALA 44 HN ALA 44 -7.274 -2.737 -4.536 318 HA ALA 44 HA ALA 44 -5.569 -0.819 -3.458 319 1HB ALA 44 1HB ALA 44 -4.336 -2.693 -3.377 320 2HB ALA 44 2HB ALA 44 -5.464 -3.512 -4.484 321 3HB ALA 44 3HB ALA 44 -4.092 -2.585 -5.137 322 H HIS 45 HN HIS 45 -7.084 -1.006 -6.551 323 HA HIS 45 HA HIS 45 -4.978 0.576 -7.787 324 1HB HIS 45 2HB HIS 45 -7.343 -0.969 -8.819 325 2HB HIS 45 3HB HIS 45 -6.622 0.288 -9.804 326 HD1 HIS 45 HD1 HIS 45 -6.013 -1.757 -11.457 327 HD2 HIS 45 HD2 HIS 45 -3.984 -1.682 -7.786 328 HE1 HIS 45 HE1 HIS 45 -4.016 -3.323 -11.713 329 H LYS 46 HN LYS 46 -7.543 1.088 -5.755 330 HA LYS 46 HA LYS 46 -8.312 3.573 -7.114 331 1HB LYS 46 2HB LYS 46 -9.888 1.534 -6.017 332 2HB LYS 46 3HB LYS 46 -9.956 2.821 -4.831 333 1HG LYS 46 2HG LYS 46 -11.512 3.810 -6.159 334 2HG LYS 46 3HG LYS 46 -10.201 4.203 -7.253 335 1HD LYS 46 2HD LYS 46 -10.576 2.199 -8.572 336 2HD LYS 46 3HD LYS 46 -11.661 1.529 -7.370 337 1HE LYS 46 2HE LYS 46 -12.262 4.168 -8.771 338 2HE LYS 46 3HE LYS 46 -12.738 2.630 -9.462 339 1HZ LYS 46 1HZ LYS 46 -14.266 3.928 -7.819 340 2HZ LYS 46 2HZ LYS 46 -14.252 2.295 -7.844 341 3HZ LYS 46 3HZ LYS 46 -13.422 3.101 -6.691 342 H ASP 47 HN ASP 47 -9.366 4.790 -4.688 343 HA ASP 47 HA ASP 47 -7.206 6.203 -3.900 344 1HB ASP 47 2HB ASP 47 -9.650 5.521 -2.197 345 2HB ASP 47 3HB ASP 47 -8.583 6.886 -1.931 346 H ALA 48 HN ALA 48 -8.215 2.966 -2.994 347 HA ALA 48 HA ALA 48 -7.417 2.554 -0.475 348 1HB ALA 48 1HB ALA 48 -6.523 0.725 -2.721 349 2HB ALA 48 2HB ALA 48 -7.086 0.290 -1.088 350 3HB ALA 48 3HB ALA 48 -8.240 0.915 -2.291 351 H CYS 49 HN CYS 49 -5.191 2.560 -3.350 352 HA CYS 49 HA CYS 49 -2.990 2.881 -1.457 353 1HB CYS 49 2HB CYS 49 -3.260 1.601 -4.120 354 2HB CYS 49 3HB CYS 49 -1.755 2.448 -3.816 355 H LYS 50 HN LYS 50 -3.358 3.793 -4.943 356 HA LYS 50 HA LYS 50 -1.935 6.071 -4.908 357 1HB LYS 50 2HB LYS 50 -3.385 6.800 -6.830 358 2HB LYS 50 3HB LYS 50 -2.708 5.190 -6.967 359 1HG LYS 50 2HG LYS 50 -4.772 4.130 -6.609 360 2HG LYS 50 3HG LYS 50 -5.422 5.466 -5.679 361 1HD LYS 50 2HD LYS 50 -4.793 6.336 -8.402 362 2HD LYS 50 3HD LYS 50 -5.842 4.933 -8.438 363 1HE LYS 50 2HE LYS 50 -7.540 6.023 -7.133 364 2HE LYS 50 3HE LYS 50 -6.446 7.287 -6.607 365 1HZ LYS 50 1HZ LYS 50 -8.048 7.254 -8.863 366 2HZ LYS 50 2HZ LYS 50 -7.045 8.442 -8.361 367 3HZ LYS 50 3HZ LYS 50 -6.500 7.287 -9.379 368 H THR 51 HN THR 51 -1.969 7.609 -3.339 369 HA THR 51 HA THR 51 -3.887 9.537 -3.212 370 HB THR 51 HB THR 51 -4.627 7.069 -1.710 371 HG1 THR 51 HG1 THR 51 -5.806 8.299 -3.448 372 1HG2 THR 51 1HG THR 51 -4.479 9.797 -0.406 373 2HG2 THR 51 2HG THR 51 -5.926 8.800 -0.122 374 3HG2 THR 51 3HG THR 51 -4.318 8.188 0.339 375 H CYS 52 HN CYS 52 -1.936 7.493 -0.941 376 HA CYS 52 HA CYS 52 -0.839 9.994 0.092 377 1HB CYS 52 2HB CYS 52 -1.841 8.569 1.772 378 2HB CYS 52 3HB CYS 52 -0.868 7.205 1.258 379 H HIS 53 HN HIS 53 -0.053 9.172 -2.514 380 HA HIS 53 HA HIS 53 2.714 8.417 -1.965 381 1HB HIS 53 2HB HIS 53 0.751 7.002 -3.648 382 2HB HIS 53 3HB HIS 53 2.265 7.347 -4.460 383 HD1 HIS 53 HD1 HIS 53 3.611 5.246 -4.382 384 HD2 HIS 53 HD2 HIS 53 1.716 6.039 -0.724 385 HE1 HIS 53 HE1 HIS 53 4.395 3.436 -2.763 386 H LYS 54 HN LYS 54 0.302 9.847 -4.244 387 HA LYS 54 HA LYS 54 1.919 10.984 -6.076 388 1HB LYS 54 2HB LYS 54 -0.592 12.062 -4.774 389 2HB LYS 54 3HB LYS 54 0.170 12.830 -6.153 390 1HG LYS 54 2HG LYS 54 -0.031 10.715 -7.458 391 2HG LYS 54 3HG LYS 54 -0.760 9.920 -6.077 392 1HD LYS 54 2HD LYS 54 -2.669 11.501 -6.133 393 2HD LYS 54 3HD LYS 54 -1.926 12.390 -7.447 394 1HE LYS 54 2HE LYS 54 -1.914 9.837 -8.496 395 2HE LYS 54 3HE LYS 54 -3.354 9.768 -7.500 396 1HZ LYS 54 1HZ LYS 54 -4.080 11.821 -8.592 397 2HZ LYS 54 2HZ LYS 54 -2.781 11.761 -9.581 398 3HZ LYS 54 3HZ LYS 54 -3.909 10.581 -9.642 399 H SER 55 HN SER 55 1.497 11.926 -2.663 400 HA SER 55 HA SER 55 2.494 14.427 -2.689 401 1HB SER 55 2HB SER 55 1.645 13.154 -0.692 402 2HB SER 55 3HB SER 55 3.155 12.265 -0.641 403 HG SER 55 HG SER 55 3.906 14.810 -0.712 404 H ASN 56 HN ASN 56 4.520 11.490 -1.934 405 HA ASN 56 HA ASN 56 6.811 13.002 -2.845 406 1HB ASN 56 2HB ASN 56 6.556 10.342 -1.349 407 2HB ASN 56 3HB ASN 56 8.094 11.027 -1.832 408 1HD2 ASN 56 1HD ASN 56 8.408 13.374 -1.199 409 2HD2 ASN 56 2HD ASN 56 7.959 13.830 0.411 410 H ASN 57 HN ASN 57 5.717 9.519 -2.966 411 HA ASN 57 HA ASN 57 7.133 9.103 -5.374 412 1HB ASN 57 2HB ASN 57 5.944 7.496 -3.339 413 2HB ASN 57 3HB ASN 57 5.076 7.083 -4.805 414 1HD2 ASN 57 1HD ASN 57 7.855 6.631 -2.973 415 2HD2 ASN 57 2HD ASN 57 8.832 5.758 -4.106 416 H GLY 58 HN GLY 58 5.215 7.376 -6.755 417 1HA GLY 58 1HA GLY 58 2.701 8.442 -7.205 418 2HA GLY 58 2HA GLY 58 3.788 9.312 -8.270 419 HA PRO 59 HA PRO 59 4.088 4.769 -9.567 420 1HB PRO 59 2HB PRO 59 2.724 2.836 -8.198 421 2HB PRO 59 3HB PRO 59 4.404 3.225 -7.887 422 1HG PRO 59 2HG PRO 59 2.015 3.915 -6.288 423 2HG PRO 59 3HG PRO 59 3.698 3.914 -5.801 424 1HD PRO 59 2HD PRO 59 2.098 6.207 -6.439 425 2HD PRO 59 3HD PRO 59 3.810 6.195 -6.066 426 H THR 60 HN THR 60 2.503 6.567 -10.622 427 HA THR 60 HA THR 60 -0.174 5.657 -10.858 428 HB THR 60 HB THR 60 1.614 7.661 -12.307 429 HG1 THR 60 HG1 THR 60 -0.772 7.648 -10.593 430 1HG2 THR 60 1HG THR 60 0.102 7.550 -14.050 431 2HG2 THR 60 2HG THR 60 -1.060 6.597 -13.096 432 3HG2 THR 60 3HG THR 60 -0.995 8.365 -12.911 433 H LYS 61 HN LYS 61 2.393 5.796 -13.421 434 HA LYS 61 HA LYS 61 0.970 3.883 -14.970 435 1HB LYS 61 2HB LYS 61 2.417 4.434 -16.632 436 2HB LYS 61 3HB LYS 61 2.650 5.844 -15.618 437 1HG LYS 61 2HG LYS 61 4.542 4.427 -14.462 438 2HG LYS 61 3HG LYS 61 4.439 3.403 -15.881 439 1HD LYS 61 2HD LYS 61 4.695 5.588 -17.273 440 2HD LYS 61 3HD LYS 61 5.161 6.359 -15.770 441 1HE LYS 61 2HE LYS 61 7.182 5.215 -15.638 442 2HE LYS 61 3HE LYS 61 6.548 3.777 -16.413 443 1HZ LYS 61 1HZ LYS 61 6.411 5.719 -18.310 444 2HZ LYS 61 2HZ LYS 61 7.848 5.983 -17.581 445 3HZ LYS 61 3HZ LYS 61 7.518 4.521 -18.230 446 H CYS 62 HN CYS 62 1.678 1.725 -15.543 447 HA CYS 62 HA CYS 62 2.239 0.131 -13.427 448 1HB CYS 62 2HB CYS 62 3.011 -0.435 -16.296 449 2HB CYS 62 3HB CYS 62 2.777 -1.620 -15.027 450 H GLY 63 HN GLY 63 4.228 -1.070 -12.802 451 1HA GLY 63 1HA GLY 63 6.546 -1.391 -12.871 452 2HA GLY 63 2HA GLY 63 6.746 0.129 -13.718 453 H GLY 64 HN GLY 64 5.016 1.766 -12.025 454 1HA GLY 64 1HA GLY 64 6.688 2.866 -10.241 455 2HA GLY 64 2HA GLY 64 4.951 2.817 -10.017 456 H CYS 65 HN CYS 65 3.990 0.933 -8.845 457 HA CYS 65 HA CYS 65 5.805 0.126 -6.736 458 1HB CYS 65 2HB CYS 65 3.726 -0.668 -5.618 459 2HB CYS 65 3HB CYS 65 3.789 1.054 -5.936 460 H HIS 66 HN HIS 66 3.445 -1.258 -9.126 461 HA HIS 66 HA HIS 66 3.725 -3.893 -8.561 462 1HB HIS 66 2HB HIS 66 2.820 -2.272 -10.779 463 2HB HIS 66 3HB HIS 66 3.628 -3.707 -11.378 464 HD1 HIS 66 HD1 HIS 66 2.000 -5.540 -11.798 465 HD2 HIS 66 HD2 HIS 66 0.910 -3.215 -8.481 466 HE1 HIS 66 HE1 HIS 66 -0.165 -6.548 -10.899 467 H ILE 67 HN ILE 67 5.052 -5.632 -9.414 468 HA ILE 67 HA ILE 67 7.665 -4.675 -10.356 469 HB ILE 67 HB ILE 67 7.023 -6.825 -8.342 470 1HG1 ILE 67 2HG ILE 67 7.049 -4.545 -7.451 471 2HG1 ILE 67 3HG ILE 67 8.386 -5.495 -6.830 472 1HG2 ILE 67 1HG ILE 67 9.515 -6.321 -9.942 473 2HG2 ILE 67 2HG ILE 67 9.617 -6.978 -8.290 474 3HG2 ILE 67 3HG ILE 67 8.710 -7.857 -9.544 475 1HD1 ILE 67 1HD ILE 67 8.470 -3.019 -8.330 476 2HD1 ILE 67 2HD ILE 67 9.815 -3.907 -7.574 477 3HD1 ILE 67 3HD ILE 67 9.326 -4.286 -9.244 478 H LYS 68 HN LYS 68 7.142 -4.983 -12.559 479 HA LYS 68 HA LYS 68 7.038 -7.809 -13.290 480 1HB LYS 68 2HB LYS 68 5.274 -7.501 -14.859 481 2HB LYS 68 3HB LYS 68 4.715 -6.877 -13.320 482 1HG LYS 68 2HG LYS 68 4.907 -4.617 -14.010 483 2HG LYS 68 3HG LYS 68 6.051 -4.996 -15.283 484 1HD LYS 68 2HD LYS 68 3.276 -6.184 -15.441 485 2HD LYS 68 3HD LYS 68 3.481 -4.489 -15.838 486 1HE LYS 68 2HE LYS 68 3.832 -5.462 -17.935 487 2HE LYS 68 3HE LYS 68 5.482 -5.360 -17.351 488 1HZ LYS 68 1HZ LYS 68 5.609 -7.559 -17.194 489 2HZ LYS 68 2HZ LYS 68 4.115 -7.741 -16.560 490 3HZ LYS 68 3HZ LYS 68 4.305 -7.599 -18.176 491 HHA HEC 98 HGM HEC 98 -3.970 -5.319 7.768 492 HHB HEC 98 HDM HEC 98 -1.749 -3.027 13.135 493 HHC HEC 98 HAM HEC 98 1.571 1.227 9.818 494 HHD HEC 98 HBM HEC 98 -1.105 -0.894 4.607 495 1HMA HEC 98 1HM HEC 98 -2.037 -5.831 13.274 496 2HMA HEC 98 2HM HEC 98 -3.460 -4.809 13.584 497 3HMA HEC 98 3HM HEC 98 -3.662 -6.417 12.849 498 1HAA HEC 98 1HA HEC 98 -4.358 -7.177 10.969 499 2HAA HEC 98 2HA HEC 98 -4.921 -6.451 9.445 500 1HBA HEC 98 3HB HEC 98 -3.770 -8.245 8.497 501 2HBA HEC 98 4HB HEC 98 -2.368 -7.171 8.707 502 1HMB HEC 98 1HM HEC 98 -1.533 -0.619 14.478 503 2HMB HEC 98 2HM HEC 98 -0.361 -1.946 14.656 504 3HMB HEC 98 3HM HEC 98 0.176 -0.257 14.818 505 HAB HEC 98 HT2 HEC 98 1.761 1.754 11.800 506 1HBB HEC 98 1HT HEC 98 3.688 1.381 12.821 507 2HBB HEC 98 2HT HEC 98 3.028 0.139 13.911 508 3HBB HEC 98 3HT HEC 98 3.265 -0.227 12.187 509 1HMC HEC 98 1HM HEC 98 2.716 2.159 8.398 510 2HMC HEC 98 2HM HEC 98 2.681 2.520 6.656 511 3HMC HEC 98 3HM HEC 98 1.538 3.326 7.755 512 HAC HEC 98 HT4 HEC 98 0.544 2.698 4.952 513 1HBC HEC 98 1HT HEC 98 -1.076 0.689 3.487 514 2HBC HEC 98 2HT HEC 98 -1.777 1.237 5.029 515 3HBC HEC 98 3HT HEC 98 -1.375 2.422 3.763 516 1HMD HEC 98 1HM HEC 98 -2.876 -1.484 3.187 517 2HMD HEC 98 2HM HEC 98 -1.733 -2.810 2.867 518 3HMD HEC 98 3HM HEC 98 -3.484 -3.133 2.901 519 1HAD HEC 98 1HA HEC 98 -4.158 -5.822 5.572 520 2HAD HEC 98 2HA HEC 98 -4.632 -4.749 4.234 521 1HBD HEC 98 3HB HEC 98 -3.458 -6.602 3.317 522 2HBD HEC 98 4HB HEC 98 -2.391 -5.179 3.208 523 HHA HEC 128 HGM HEC 128 8.316 3.933 -0.471 524 HHB HEC 128 HDM HEC 128 4.268 -0.163 -2.885 525 HHC HEC 128 HAM HEC 128 -0.279 2.370 0.723 526 HHD HEC 128 HBM HEC 128 3.794 6.666 2.668 527 1HMA HEC 128 1HM HEC 128 6.177 -1.026 -3.220 528 2HMA HEC 128 2HM HEC 128 7.430 -0.083 -4.061 529 3HMA HEC 128 3HM HEC 128 7.847 -1.017 -2.604 530 1HAA HEC 128 1HA HEC 128 9.514 2.258 -0.832 531 2HAA HEC 128 2HA HEC 128 9.552 0.706 -1.700 532 1HBA HEC 128 3HB HEC 128 9.207 1.846 -3.864 533 2HBA HEC 128 4HB HEC 128 8.964 3.408 -3.048 534 1HMB HEC 128 1HM HEC 128 1.817 -0.214 -4.148 535 2HMB HEC 128 2HM HEC 128 2.400 -1.539 -3.114 536 3HMB HEC 128 3HM HEC 128 0.657 -1.194 -3.220 537 HAB HEC 128 HT2 HEC 128 -1.246 1.122 -0.747 538 1HBB HEC 128 1HT HEC 128 -1.391 -0.177 0.932 539 2HBB HEC 128 2HT HEC 128 -1.684 -1.470 -0.254 540 3HBB HEC 128 3HT HEC 128 -0.049 -1.217 0.402 541 1HMC HEC 128 1HM HEC 128 -1.408 3.293 1.957 542 2HMC HEC 128 2HM HEC 128 -1.225 4.346 3.380 543 3HMC HEC 128 3HM HEC 128 -1.667 5.047 1.805 544 HAC HEC 128 HT4 HEC 128 1.827 7.299 3.342 545 1HBC HEC 128 1HT HEC 128 -1.074 6.895 3.910 546 2HBC HEC 128 2HT HEC 128 0.043 5.727 4.655 547 3HBC HEC 128 3HT HEC 128 0.234 7.468 4.973 548 1HMD HEC 128 1HM HEC 128 7.072 7.657 3.364 549 2HMD HEC 128 2HM HEC 128 6.247 8.572 2.078 550 3HMD HEC 128 3HM HEC 128 5.296 7.773 3.352 551 1HAD HEC 128 1HA HEC 128 8.729 6.775 2.373 552 2HAD HEC 128 2HA HEC 128 9.213 5.178 1.752 553 1HBD HEC 128 3HB HEC 128 10.089 6.129 -0.038 554 2HBD HEC 128 4HB HEC 128 8.514 6.843 -0.459 555 HHA HEC 158 HGM HEC 158 -3.192 -7.692 -7.532 556 HHB HEC 158 HDM HEC 158 -2.172 -6.050 -13.469 557 HHC HEC 158 HAM HEC 158 -0.518 -0.271 -11.472 558 HHD HEC 158 HBM HEC 158 -1.145 -2.232 -5.591 559 1HMA HEC 158 1HM HEC 158 -4.308 -9.152 -12.429 560 2HMA HEC 158 2HM HEC 158 -4.110 -7.686 -13.419 561 3HMA HEC 158 3HM HEC 158 -2.725 -8.769 -13.147 562 1HAA HEC 158 1HA HEC 158 -4.259 -8.964 -8.482 563 2HAA HEC 158 2HA HEC 158 -5.229 -9.179 -9.959 564 1HBA HEC 158 3HB HEC 158 -2.635 -10.043 -10.710 565 2HBA HEC 158 4HB HEC 158 -2.843 -10.684 -9.063 566 1HMB HEC 158 1HM HEC 158 -0.154 -3.774 -15.592 567 2HMB HEC 158 2HM HEC 158 -0.826 -5.299 -14.968 568 3HMB HEC 158 3HM HEC 158 -1.904 -4.078 -15.685 569 HAB HEC 158 HT2 HEC 158 0.445 -0.748 -13.798 570 1HBB HEC 158 1HT HEC 158 -1.953 0.064 -12.981 571 2HBB HEC 158 2HT HEC 158 -0.713 1.044 -13.801 572 3HBB HEC 158 3HT HEC 158 -2.049 0.336 -14.738 573 1HMC HEC 158 1HM HEC 158 1.106 1.260 -9.901 574 2HMC HEC 158 2HM HEC 158 -0.585 1.624 -10.323 575 3HMC HEC 158 3HM HEC 158 0.051 2.078 -8.724 576 HAC HEC 158 HT4 HEC 158 0.600 -0.573 -5.745 577 1HBC HEC 158 1HT HEC 158 -1.805 0.586 -5.728 578 2HBC HEC 158 2HT HEC 158 -0.556 1.023 -4.537 579 3HBC HEC 158 3HT HEC 158 -0.835 2.061 -5.955 580 1HMD HEC 158 1HM HEC 158 -2.726 -3.827 -3.376 581 2HMD HEC 158 2HM HEC 158 -1.270 -4.842 -3.264 582 3HMD HEC 158 3HM HEC 158 -1.139 -3.160 -3.830 583 1HAD HEC 158 1HA HEC 158 -2.914 -6.519 -3.732 584 2HAD HEC 158 2HA HEC 158 -4.351 -6.576 -4.781 585 1HBD HEC 158 3HB HEC 158 -2.139 -8.149 -5.836 586 2HBD HEC 158 4HB HEC 158 -2.645 -8.667 -4.209 Start of MODEL 22 1 H ALA 1 HN ALA 1 1.721 -5.131 4.417 2 HA ALA 1 HA ALA 1 -0.247 -5.877 6.470 3 1HB ALA 1 1HB ALA 1 0.511 -7.245 3.869 4 2HB ALA 1 2HB ALA 1 -0.298 -8.106 5.201 5 3HB ALA 1 3HB ALA 1 -1.102 -6.726 4.414 6 H ASP 2 HN ASP 2 1.598 -5.394 7.956 7 HA ASP 2 HA ASP 2 3.459 -5.872 9.016 8 1HB ASP 2 2HB ASP 2 1.684 -8.168 8.996 9 2HB ASP 2 3HB ASP 2 3.337 -8.744 9.067 10 H VAL 3 HN VAL 3 3.827 -5.752 6.096 11 HA VAL 3 HA VAL 3 5.469 -6.091 4.646 12 HB VAL 3 HB VAL 3 6.606 -7.056 7.140 13 1HG1 VAL 3 1HG VAL 3 8.563 -8.190 5.836 14 2HG1 VAL 3 2HG VAL 3 7.103 -9.133 6.223 15 3HG1 VAL 3 3HG VAL 3 7.329 -8.474 4.584 16 1HG2 VAL 3 1HG VAL 3 7.735 -5.648 4.699 17 2HG2 VAL 3 2HG VAL 3 7.169 -4.898 6.211 18 3HG2 VAL 3 3HG VAL 3 8.627 -5.919 6.215 19 H VAL 4 HN VAL 4 4.322 -7.114 3.037 20 HA VAL 4 HA VAL 4 4.327 -10.048 3.187 21 HB VAL 4 HB VAL 4 2.149 -8.121 2.472 22 1HG1 VAL 4 1HG VAL 4 2.241 -9.365 0.452 23 2HG1 VAL 4 2HG VAL 4 2.525 -10.895 1.317 24 3HG1 VAL 4 3HG VAL 4 0.937 -10.097 1.419 25 1HG2 VAL 4 1HG VAL 4 2.585 -9.640 4.677 26 2HG2 VAL 4 2HG VAL 4 0.972 -9.145 4.113 27 3HG2 VAL 4 3HG VAL 4 1.598 -10.761 3.707 28 H THR 5 HN THR 5 4.433 -11.123 1.055 29 HA THR 5 HA THR 5 5.482 -9.368 -1.054 30 HB THR 5 HB THR 5 6.765 -11.827 0.219 31 HG1 THR 5 HG1 THR 5 7.707 -9.196 -0.669 32 1HG2 THR 5 1HG THR 5 7.036 -12.250 -2.156 33 2HG2 THR 5 2HG THR 5 7.289 -10.521 -2.494 34 3HG2 THR 5 3HG THR 5 8.532 -11.449 -1.622 35 H TYR 6 HN TYR 6 3.713 -9.463 -2.379 36 HA TYR 6 HA TYR 6 2.509 -12.045 -2.890 37 1HB TYR 6 2HB TYR 6 2.141 -9.154 -3.890 38 2HB TYR 6 3HB TYR 6 1.098 -10.466 -4.402 39 HD1 TYR 6 HD1 TYR 6 0.782 -11.931 -1.792 40 HD2 TYR 6 HD2 TYR 6 0.672 -7.751 -2.701 41 HE1 TYR 6 HE1 TYR 6 -0.713 -11.523 0.225 42 HE2 TYR 6 HE2 TYR 6 -0.822 -7.359 -0.682 43 HH TYR 6 HH TYR 6 -2.513 -9.638 0.778 44 H GLU 7 HN GLU 7 3.778 -13.373 -4.153 45 HA GLU 7 HA GLU 7 5.279 -12.226 -6.289 46 1HB GLU 7 2HB GLU 7 4.891 -15.051 -5.243 47 2HB GLU 7 3HB GLU 7 5.779 -14.746 -6.722 48 1HG GLU 7 2HG GLU 7 7.483 -13.515 -5.605 49 2HG GLU 7 3HG GLU 7 6.475 -13.204 -4.205 50 H ASN 8 HN ASN 8 2.770 -11.456 -6.862 51 HA ASN 8 HA ASN 8 1.021 -13.104 -8.031 52 1HB ASN 8 2HB ASN 8 1.891 -10.366 -9.102 53 2HB ASN 8 3HB ASN 8 0.365 -11.146 -9.467 54 1HD2 ASN 8 1HD ASN 8 1.203 -8.629 -8.022 55 2HD2 ASN 8 2HD ASN 8 0.345 -8.648 -6.517 56 H LYS 9 HN LYS 9 0.581 -13.070 -10.626 57 HA LYS 9 HA LYS 9 2.977 -14.204 -11.800 58 1HB LYS 9 2HB LYS 9 0.239 -14.824 -11.884 59 2HB LYS 9 3HB LYS 9 0.610 -14.217 -13.485 60 1HG LYS 9 2HG LYS 9 2.818 -15.844 -12.910 61 2HG LYS 9 3HG LYS 9 1.489 -16.719 -12.177 62 1HD LYS 9 2HD LYS 9 0.404 -17.080 -14.216 63 2HD LYS 9 3HD LYS 9 1.043 -15.619 -14.943 64 1HE LYS 9 2HE LYS 9 3.216 -17.466 -14.260 65 2HE LYS 9 3HE LYS 9 2.028 -18.259 -15.275 66 1HZ LYS 9 1HZ LYS 9 2.703 -15.602 -16.098 67 2HZ LYS 9 2HZ LYS 9 3.941 -16.664 -16.182 68 3HZ LYS 9 3HZ LYS 9 2.552 -16.962 -16.989 69 H LYS 10 HN LYS 10 0.664 -11.485 -12.250 70 HA LYS 10 HA LYS 10 2.269 -10.543 -14.489 71 1HB LYS 10 2HB LYS 10 -0.345 -9.487 -13.370 72 2HB LYS 10 3HB LYS 10 0.444 -8.953 -14.842 73 1HG LYS 10 2HG LYS 10 0.259 -11.285 -15.767 74 2HG LYS 10 3HG LYS 10 -0.569 -11.786 -14.306 75 1HD LYS 10 2HD LYS 10 -2.266 -9.875 -14.813 76 2HD LYS 10 3HD LYS 10 -1.533 -9.800 -16.402 77 1HE LYS 10 2HE LYS 10 -2.489 -11.776 -17.084 78 2HE LYS 10 3HE LYS 10 -2.217 -12.561 -15.541 79 1HZ LYS 10 1HZ LYS 10 -4.249 -12.035 -14.893 80 2HZ LYS 10 2HZ LYS 10 -4.127 -10.475 -15.360 81 3HZ LYS 10 3HZ LYS 10 -4.577 -11.617 -16.437 82 H GLY 11 HN GLY 11 3.880 -10.535 -12.349 83 1HA GLY 11 1HA GLY 11 5.307 -8.632 -11.861 84 2HA GLY 11 2HA GLY 11 3.869 -7.707 -11.480 85 H ASN 12 HN ASN 12 4.250 -7.255 -9.301 86 HA ASN 12 HA ASN 12 3.498 -9.133 -7.465 87 1HB ASN 12 2HB ASN 12 5.734 -9.453 -6.250 88 2HB ASN 12 3HB ASN 12 5.589 -10.329 -7.761 89 1HD2 ASN 12 1HD ASN 12 7.513 -8.364 -5.947 90 2HD2 ASN 12 2HD ASN 12 8.577 -7.726 -7.156 91 H VAL 13 HN VAL 13 2.962 -7.936 -5.589 92 HA VAL 13 HA VAL 13 4.223 -5.290 -5.361 93 HB VAL 13 HB VAL 13 1.946 -5.097 -6.132 94 1HG1 VAL 13 1HG VAL 13 0.474 -6.034 -3.846 95 2HG1 VAL 13 2HG VAL 13 0.332 -6.522 -5.551 96 3HG1 VAL 13 3HG VAL 13 1.482 -7.356 -4.480 97 1HG2 VAL 13 1HG VAL 13 2.630 -3.343 -4.663 98 2HG2 VAL 13 2HG VAL 13 0.971 -3.790 -4.199 99 3HG2 VAL 13 3HG VAL 13 2.349 -4.350 -3.222 100 H THR 14 HN THR 14 5.644 -5.356 -3.696 101 HA THR 14 HA THR 14 4.895 -6.986 -1.363 102 HB THR 14 HB THR 14 7.525 -6.142 -2.646 103 HG1 THR 14 HG1 THR 14 6.348 -8.178 -3.150 104 1HG2 THR 14 1HG THR 14 8.595 -7.352 -0.660 105 2HG2 THR 14 2HG THR 14 7.936 -5.746 -0.266 106 3HG2 THR 14 3HG THR 14 7.031 -7.212 0.180 107 H PHE 15 HN PHE 15 4.248 -6.014 0.448 108 HA PHE 15 HA PHE 15 4.441 -3.136 0.553 109 1HB PHE 15 2HB PHE 15 3.293 -5.255 2.471 110 2HB PHE 15 3HB PHE 15 2.964 -3.536 2.567 111 HD1 PHE 15 HD1 PHE 15 2.807 -3.380 -0.617 112 HD2 PHE 15 HD2 PHE 15 0.891 -5.714 2.363 113 HE1 PHE 15 HE1 PHE 15 0.822 -3.675 -2.124 114 HE2 PHE 15 HE2 PHE 15 -1.094 -6.010 0.857 115 HZ PHE 15 HZ PHE 15 -1.105 -4.986 -1.369 116 H ASP 16 HN ASP 16 4.643 -2.509 3.200 117 HA ASP 16 HA ASP 16 6.882 -3.907 4.304 118 1HB ASP 16 2HB ASP 16 7.354 -0.975 4.218 119 2HB ASP 16 3HB ASP 16 8.498 -2.290 4.033 120 H HIS 17 HN HIS 17 4.160 -3.601 5.149 121 HA HIS 17 HA HIS 17 3.318 -1.561 6.581 122 1HB HIS 17 2HB HIS 17 2.144 -3.681 6.432 123 2HB HIS 17 3HB HIS 17 3.334 -4.460 7.456 124 HD1 HIS 17 HD1 HIS 17 3.575 -2.636 9.846 125 HD2 HIS 17 HD2 HIS 17 -0.093 -3.411 7.962 126 HE1 HIS 17 HE1 HIS 17 1.765 -2.144 11.575 127 H LYS 18 HN LYS 18 5.772 -3.942 7.797 128 HA LYS 18 HA LYS 18 6.158 -2.695 10.256 129 1HB LYS 18 2HB LYS 18 6.859 -4.968 9.857 130 2HB LYS 18 3HB LYS 18 7.955 -4.470 8.585 131 1HG LYS 18 2HG LYS 18 9.574 -4.294 10.166 132 2HG LYS 18 3HG LYS 18 8.732 -2.883 10.776 133 1HD LYS 18 2HD LYS 18 8.044 -3.983 12.647 134 2HD LYS 18 3HD LYS 18 7.445 -5.342 11.718 135 1HE LYS 18 2HE LYS 18 9.325 -6.586 12.105 136 2HE LYS 18 3HE LYS 18 10.395 -5.243 11.757 137 1HZ LYS 18 1HZ LYS 18 10.449 -4.648 13.903 138 2HZ LYS 18 2HZ LYS 18 8.901 -5.067 14.213 139 3HZ LYS 18 3HZ LYS 18 10.062 -6.213 14.164 140 H ALA 19 HN ALA 19 8.657 -2.716 7.637 141 HA ALA 19 HA ALA 19 10.143 -0.656 8.473 142 1HB ALA 19 1HB ALA 19 9.515 -0.691 5.551 143 2HB ALA 19 2HB ALA 19 11.088 -0.742 6.384 144 3HB ALA 19 3HB ALA 19 10.092 -2.213 6.272 145 H HIS 20 HN HIS 20 7.086 -0.411 6.551 146 HA HIS 20 HA HIS 20 7.152 2.346 6.256 147 1HB HIS 20 2HB HIS 20 5.005 0.249 6.176 148 2HB HIS 20 3HB HIS 20 4.552 1.941 6.128 149 HD1 HIS 20 HD1 HIS 20 7.772 1.155 4.440 150 HD2 HIS 20 HD2 HIS 20 3.716 1.423 3.407 151 HE1 HIS 20 HE1 HIS 20 7.689 1.247 1.892 152 H ALA 21 HN ALA 21 5.314 0.341 8.675 153 HA ALA 21 HA ALA 21 4.138 2.189 10.163 154 1HB ALA 21 1HB ALA 21 5.660 -0.311 10.902 155 2HB ALA 21 2HB ALA 21 4.898 0.678 12.171 156 3HB ALA 21 3HB ALA 21 3.903 -0.026 10.875 157 H GLU 22 HN GLU 22 7.659 1.636 9.939 158 HA GLU 22 HA GLU 22 8.365 3.156 12.146 159 1HB GLU 22 2HB GLU 22 9.989 2.830 9.589 160 2HB GLU 22 3HB GLU 22 10.608 3.146 11.198 161 1HG GLU 22 2HG GLU 22 9.058 0.830 11.549 162 2HG GLU 22 3HG GLU 22 9.792 0.587 9.977 163 H LYS 23 HN LYS 23 8.301 4.045 8.615 164 HA LYS 23 HA LYS 23 8.689 6.811 9.264 165 1HB LYS 23 2HB LYS 23 8.490 5.158 6.785 166 2HB LYS 23 3HB LYS 23 8.109 6.863 6.652 167 1HG LYS 23 2HG LYS 23 10.653 5.861 8.002 168 2HG LYS 23 3HG LYS 23 10.576 6.206 6.286 169 1HD LYS 23 2HD LYS 23 9.902 8.552 6.764 170 2HD LYS 23 3HD LYS 23 9.896 8.217 8.484 171 1HE LYS 23 2HE LYS 23 12.438 7.347 7.710 172 2HE LYS 23 3HE LYS 23 12.185 8.743 6.679 173 1HZ LYS 23 1HZ LYS 23 11.929 10.108 8.501 174 2HZ LYS 23 2HZ LYS 23 11.601 8.889 9.538 175 3HZ LYS 23 3HZ LYS 23 13.123 9.105 8.987 176 H LEU 24 HN LEU 24 6.004 4.757 7.954 177 HA LEU 24 HA LEU 24 4.150 6.811 7.739 178 1HB LEU 24 2HB LEU 24 3.936 3.833 8.096 179 2HB LEU 24 3HB LEU 24 2.507 4.844 8.014 180 HG LEU 24 HG LEU 24 3.422 5.714 5.785 181 1HD1 LEU 24 1HD LEU 24 5.458 3.674 6.459 182 2HD1 LEU 24 2HD LEU 24 4.852 3.650 4.786 183 3HD1 LEU 24 3HD LEU 24 5.574 5.136 5.449 184 1HD2 LEU 24 1HD LEU 24 2.366 3.983 4.557 185 2HD2 LEU 24 2HD LEU 24 2.712 2.776 5.819 186 3HD2 LEU 24 3HD LEU 24 1.533 4.073 6.128 187 H GLY 25 HN GLY 25 2.819 4.473 9.879 188 1HA GLY 25 1HA GLY 25 3.248 4.884 12.381 189 2HA GLY 25 2HA GLY 25 2.716 6.510 12.003 190 H CYS 26 HN CYS 26 1.525 3.398 10.597 191 HA CYS 26 HA CYS 26 -0.459 2.464 10.564 192 1HB CYS 26 2HB CYS 26 -1.641 3.700 12.937 193 2HB CYS 26 3HB CYS 26 -1.411 2.010 12.531 194 H ASP 27 HN ASP 27 -1.434 5.500 12.298 195 HA ASP 27 HA ASP 27 -3.652 6.119 11.156 196 1HB ASP 27 2HB ASP 27 -1.286 8.020 11.469 197 2HB ASP 27 3HB ASP 27 -2.915 8.579 11.142 198 H ALA 28 HN ALA 28 -0.420 6.471 9.586 199 HA ALA 28 HA ALA 28 -0.917 7.890 7.373 200 1HB ALA 28 1HB ALA 28 0.817 5.579 8.070 201 2HB ALA 28 2HB ALA 28 0.601 5.878 6.329 202 3HB ALA 28 3HB ALA 28 1.243 7.163 7.378 203 H CYS 29 HN CYS 29 -1.488 4.305 7.629 204 HA CYS 29 HA CYS 29 -3.146 4.504 5.255 205 1HB CYS 29 2HB CYS 29 -2.822 1.882 6.563 206 2HB CYS 29 3HB CYS 29 -2.722 2.328 4.871 207 H HIS 30 HN HIS 30 -3.212 3.435 8.721 208 HA HIS 30 HA HIS 30 -6.028 2.963 8.616 209 1HB HIS 30 2HB HIS 30 -4.235 3.133 11.050 210 2HB HIS 30 3HB HIS 30 -5.811 2.374 10.944 211 HD1 HIS 30 HD1 HIS 30 -5.888 0.253 9.128 212 HD2 HIS 30 HD2 HIS 30 -2.154 1.404 10.655 213 HE1 HIS 30 HE1 HIS 30 -4.317 -1.719 8.736 214 H GLU 31 HN GLU 31 -6.547 4.108 11.327 215 HA GLU 31 HA GLU 31 -6.035 6.809 11.372 216 1HB GLU 31 2HB GLU 31 -7.455 6.753 9.259 217 2HB GLU 31 3HB GLU 31 -8.805 6.224 10.243 218 1HG GLU 31 2HG GLU 31 -8.205 8.348 11.722 219 2HG GLU 31 3HG GLU 31 -7.367 8.890 10.282 220 H GLY 32 HN GLY 32 -5.879 6.577 13.602 221 1HA GLY 32 1HA GLY 32 -6.530 6.298 15.734 222 2HA GLY 32 2HA GLY 32 -8.123 6.794 15.198 223 H THR 33 HN THR 33 -6.031 4.074 16.037 224 HA THR 33 HA THR 33 -6.491 1.968 16.586 225 HB THR 33 HB THR 33 -9.431 2.813 16.420 226 HG1 THR 33 HG1 THR 33 -7.933 4.157 17.767 227 1HG2 THR 33 1HG THR 33 -7.900 0.567 17.799 228 2HG2 THR 33 2HG THR 33 -9.426 1.181 18.479 229 3HG2 THR 33 3HG THR 33 -9.404 0.458 16.852 230 HA PRO 34 HA PRO 34 -6.906 0.581 12.449 231 1HB PRO 34 2HB PRO 34 -5.085 -1.449 12.633 232 2HB PRO 34 3HB PRO 34 -4.652 0.190 12.189 233 1HG PRO 34 2HG PRO 34 -4.214 -1.214 14.754 234 2HG PRO 34 3HG PRO 34 -3.436 0.234 14.148 235 1HD PRO 34 2HD PRO 34 -5.498 0.099 16.136 236 2HD PRO 34 3HD PRO 34 -4.800 1.551 15.447 237 H ALA 35 HN ALA 35 -6.717 -2.083 11.719 238 HA ALA 35 HA ALA 35 -8.038 -3.820 13.397 239 1HB ALA 35 1HB ALA 35 -9.859 -2.028 11.775 240 2HB ALA 35 2HB ALA 35 -10.348 -3.681 12.217 241 3HB ALA 35 3HB ALA 35 -9.983 -2.492 13.489 242 H LYS 36 HN LYS 36 -8.126 -2.579 9.985 243 HA LYS 36 HA LYS 36 -6.608 -4.659 8.969 244 1HB LYS 36 2HB LYS 36 -8.074 -6.240 8.116 245 2HB LYS 36 3HB LYS 36 -8.737 -5.927 9.707 246 1HG LYS 36 2HG LYS 36 -10.710 -5.382 8.734 247 2HG LYS 36 3HG LYS 36 -9.936 -3.982 8.020 248 1HD LYS 36 2HD LYS 36 -10.711 -5.074 6.102 249 2HD LYS 36 3HD LYS 36 -9.079 -5.705 6.198 250 1HE LYS 36 2HE LYS 36 -10.131 -7.742 6.045 251 2HE LYS 36 3HE LYS 36 -10.351 -7.540 7.773 252 1HZ LYS 36 1HZ LYS 36 -12.476 -7.830 7.173 253 2HZ LYS 36 2HZ LYS 36 -12.436 -6.222 6.891 254 3HZ LYS 36 3HZ LYS 36 -12.279 -7.273 5.651 255 H ILE 37 HN ILE 37 -7.348 -4.842 6.368 256 HA ILE 37 HA ILE 37 -8.269 -2.281 5.436 257 HB ILE 37 HB ILE 37 -5.409 -3.147 5.000 258 1HG1 ILE 37 2HG ILE 37 -6.630 -0.814 6.495 259 2HG1 ILE 37 3HG ILE 37 -5.676 -2.122 7.164 260 1HG2 ILE 37 1HG ILE 37 -6.625 -0.615 3.926 261 2HG2 ILE 37 2HG ILE 37 -5.136 -1.455 3.435 262 3HG2 ILE 37 3HG ILE 37 -6.724 -2.138 3.011 263 1HD1 ILE 37 1HD ILE 37 -3.825 -0.864 6.823 264 2HD1 ILE 37 2HD ILE 37 -4.087 -1.042 5.072 265 3HD1 ILE 37 3HD ILE 37 -4.771 0.356 5.937 266 H ALA 38 HN ALA 38 -8.937 -2.358 3.241 267 HA ALA 38 HA ALA 38 -9.307 -5.079 2.305 268 1HB ALA 38 1HB ALA 38 -11.317 -4.120 1.918 269 2HB ALA 38 2HB ALA 38 -10.652 -2.475 2.057 270 3HB ALA 38 3HB ALA 38 -10.540 -3.352 0.512 271 H ILE 39 HN ILE 39 -7.335 -5.777 1.458 272 HA ILE 39 HA ILE 39 -6.273 -4.105 -0.713 273 HB ILE 39 HB ILE 39 -4.897 -5.964 1.218 274 1HG1 ILE 39 2HG ILE 39 -5.412 -3.574 1.880 275 2HG1 ILE 39 3HG ILE 39 -3.732 -4.064 1.980 276 1HG2 ILE 39 1HG ILE 39 -3.731 -6.556 -0.657 277 2HG2 ILE 39 2HG ILE 39 -4.040 -5.009 -1.481 278 3HG2 ILE 39 3HG ILE 39 -2.829 -5.098 -0.179 279 1HD1 ILE 39 1HD ILE 39 -4.893 -1.928 0.417 280 2HD1 ILE 39 2HD ILE 39 -3.175 -2.350 0.614 281 3HD1 ILE 39 3HD ILE 39 -4.133 -3.101 -0.685 282 H ASP 40 HN ASP 40 -7.153 -4.855 -2.582 283 HA ASP 40 HA ASP 40 -6.497 -7.490 -3.341 284 1HB ASP 40 2HB ASP 40 -8.992 -8.001 -3.931 285 2HB ASP 40 3HB ASP 40 -8.452 -8.270 -2.286 286 H LYS 41 HN LYS 41 -7.513 -7.873 -5.690 287 HA LYS 41 HA LYS 41 -6.965 -5.548 -7.205 288 1HB LYS 41 2HB LYS 41 -6.357 -7.724 -8.039 289 2HB LYS 41 3HB LYS 41 -8.012 -8.293 -7.943 290 1HG LYS 41 2HG LYS 41 -7.882 -5.825 -9.507 291 2HG LYS 41 3HG LYS 41 -6.759 -7.007 -10.149 292 1HD LYS 41 2HD LYS 41 -9.575 -7.874 -9.448 293 2HD LYS 41 3HD LYS 41 -9.298 -7.001 -10.941 294 1HE LYS 41 2HE LYS 41 -7.951 -8.711 -11.858 295 2HE LYS 41 3HE LYS 41 -7.514 -9.356 -10.289 296 1HZ LYS 41 1HZ LYS 41 -10.318 -9.430 -10.915 297 2HZ LYS 41 2HZ LYS 41 -9.375 -10.405 -11.824 298 3HZ LYS 41 3HZ LYS 41 -9.380 -10.557 -10.197 299 H LYS 42 HN LYS 42 -8.647 -4.263 -5.849 300 HA LYS 42 HA LYS 42 -10.775 -3.654 -7.538 301 1HB LYS 42 2HB LYS 42 -11.724 -5.787 -6.792 302 2HB LYS 42 3HB LYS 42 -11.573 -5.297 -5.116 303 1HG LYS 42 2HG LYS 42 -13.559 -4.211 -5.225 304 2HG LYS 42 3HG LYS 42 -12.952 -3.184 -6.510 305 1HD LYS 42 2HD LYS 42 -13.538 -4.955 -8.190 306 2HD LYS 42 3HD LYS 42 -14.164 -5.963 -6.900 307 1HE LYS 42 2HE LYS 42 -15.268 -3.193 -6.944 308 2HE LYS 42 3HE LYS 42 -15.674 -4.157 -8.350 309 1HZ LYS 42 1HZ LYS 42 -16.665 -4.372 -5.740 310 2HZ LYS 42 2HZ LYS 42 -17.181 -5.124 -7.095 311 3HZ LYS 42 3HZ LYS 42 -16.005 -5.798 -6.183 312 H SER 43 HN SER 43 -9.463 -3.740 -4.191 313 HA SER 43 HA SER 43 -10.342 -0.970 -3.952 314 1HB SER 43 2HB SER 43 -10.881 -3.047 -2.240 315 2HB SER 43 3HB SER 43 -9.412 -2.422 -1.517 316 HG SER 43 HG SER 43 -10.901 -0.267 -2.097 317 H ALA 44 HN ALA 44 -7.647 -3.316 -3.554 318 HA ALA 44 HA ALA 44 -5.762 -1.591 -2.473 319 1HB ALA 44 1HB ALA 44 -5.546 -4.026 -4.281 320 2HB ALA 44 2HB ALA 44 -4.138 -3.234 -3.534 321 3HB ALA 44 3HB ALA 44 -5.396 -3.965 -2.509 322 H HIS 45 HN HIS 45 -7.305 -1.586 -5.575 323 HA HIS 45 HA HIS 45 -5.100 -0.126 -6.778 324 1HB HIS 45 2HB HIS 45 -7.576 -1.471 -7.811 325 2HB HIS 45 3HB HIS 45 -6.831 -0.204 -8.765 326 HD1 HIS 45 HD1 HIS 45 -6.659 -2.606 -10.296 327 HD2 HIS 45 HD2 HIS 45 -3.939 -1.973 -7.167 328 HE1 HIS 45 HE1 HIS 45 -4.670 -4.138 -10.756 329 H LYS 46 HN LYS 46 -7.600 0.527 -4.700 330 HA LYS 46 HA LYS 46 -8.181 3.109 -5.969 331 1HB LYS 46 2HB LYS 46 -9.816 1.157 -4.580 332 2HB LYS 46 3HB LYS 46 -9.904 2.712 -3.777 333 1HG LYS 46 2HG LYS 46 -10.043 3.437 -6.465 334 2HG LYS 46 3HG LYS 46 -10.906 1.912 -6.453 335 1HD LYS 46 2HD LYS 46 -12.367 2.739 -4.607 336 2HD LYS 46 3HD LYS 46 -11.488 4.255 -4.578 337 1HE LYS 46 2HE LYS 46 -12.122 4.267 -7.197 338 2HE LYS 46 3HE LYS 46 -13.413 3.212 -6.655 339 1HZ LYS 46 1HZ LYS 46 -13.865 4.959 -4.944 340 2HZ LYS 46 2HZ LYS 46 -12.859 5.948 -5.766 341 3HZ LYS 46 3HZ LYS 46 -14.211 5.377 -6.484 342 H ASP 47 HN ASP 47 -9.034 4.434 -3.579 343 HA ASP 47 HA ASP 47 -6.847 5.688 -2.795 344 1HB ASP 47 2HB ASP 47 -8.131 5.853 -0.454 345 2HB ASP 47 3HB ASP 47 -8.764 6.629 -1.892 346 H ALA 48 HN ALA 48 -7.924 2.445 -1.840 347 HA ALA 48 HA ALA 48 -6.832 1.912 0.522 348 1HB ALA 48 1HB ALA 48 -6.375 0.178 -1.936 349 2HB ALA 48 2HB ALA 48 -6.541 -0.358 -0.247 350 3HB ALA 48 3HB ALA 48 -7.942 0.326 -1.106 351 H CYS 49 HN CYS 49 -4.911 1.681 -2.563 352 HA CYS 49 HA CYS 49 -2.521 2.009 -0.923 353 1HB CYS 49 2HB CYS 49 -3.084 0.189 -2.889 354 2HB CYS 49 3HB CYS 49 -2.204 1.409 -3.790 355 H LYS 50 HN LYS 50 -3.353 2.859 -4.358 356 HA LYS 50 HA LYS 50 -1.787 5.075 -4.538 357 1HB LYS 50 2HB LYS 50 -3.096 5.676 -6.461 358 2HB LYS 50 3HB LYS 50 -2.947 3.931 -6.406 359 1HG LYS 50 2HG LYS 50 -5.209 3.809 -6.527 360 2HG LYS 50 3HG LYS 50 -5.273 4.457 -4.899 361 1HD LYS 50 2HD LYS 50 -5.023 6.805 -6.088 362 2HD LYS 50 3HD LYS 50 -5.521 5.945 -7.531 363 1HE LYS 50 2HE LYS 50 -7.691 5.939 -6.860 364 2HE LYS 50 3HE LYS 50 -7.268 5.197 -5.329 365 1HZ LYS 50 1HZ LYS 50 -6.531 7.944 -5.496 366 2HZ LYS 50 2HZ LYS 50 -8.141 7.705 -5.631 367 3HZ LYS 50 3HZ LYS 50 -7.341 7.154 -4.319 368 H THR 51 HN THR 51 -1.693 6.457 -2.776 369 HA THR 51 HA THR 51 -3.642 8.470 -2.634 370 HB THR 51 HB THR 51 -3.943 6.098 -0.814 371 HG1 THR 51 HG1 THR 51 -5.404 7.074 -2.568 372 1HG2 THR 51 1HG THR 51 -4.007 8.997 0.092 373 2HG2 THR 51 2HG THR 51 -5.210 7.852 0.733 374 3HG2 THR 51 3HG THR 51 -3.473 7.558 0.995 375 H CYS 52 HN CYS 52 -1.293 6.662 -0.541 376 HA CYS 52 HA CYS 52 -0.283 9.173 0.421 377 1HB CYS 52 2HB CYS 52 -0.209 7.689 2.134 378 2HB CYS 52 3HB CYS 52 0.068 6.308 1.092 379 H HIS 53 HN HIS 53 0.986 6.278 -1.393 380 HA HIS 53 HA HIS 53 3.460 7.266 -1.984 381 1HB HIS 53 2HB HIS 53 1.647 5.214 -3.090 382 2HB HIS 53 3HB HIS 53 2.856 5.799 -4.217 383 HD1 HIS 53 HD1 HIS 53 5.308 5.120 -3.818 384 HD2 HIS 53 HD2 HIS 53 2.702 3.869 -0.778 385 HE1 HIS 53 HE1 HIS 53 6.632 3.493 -2.366 386 H LYS 54 HN LYS 54 0.316 8.235 -3.222 387 HA LYS 54 HA LYS 54 1.000 9.271 -5.676 388 1HB LYS 54 2HB LYS 54 -1.027 10.266 -3.651 389 2HB LYS 54 3HB LYS 54 -0.955 10.780 -5.325 390 1HG LYS 54 2HG LYS 54 -1.251 8.404 -6.064 391 2HG LYS 54 3HG LYS 54 -1.327 7.894 -4.390 392 1HD LYS 54 2HD LYS 54 -3.586 8.172 -4.627 393 2HD LYS 54 3HD LYS 54 -3.239 9.873 -4.388 394 1HE LYS 54 2HE LYS 54 -3.044 8.706 -7.177 395 2HE LYS 54 3HE LYS 54 -4.623 9.073 -6.515 396 1HZ LYS 54 1HZ LYS 54 -3.105 11.254 -5.951 397 2HZ LYS 54 2HZ LYS 54 -2.652 10.845 -7.466 398 3HZ LYS 54 3HZ LYS 54 -4.224 11.136 -7.133 399 H SER 55 HN SER 55 0.677 11.229 -2.629 400 HA SER 55 HA SER 55 2.267 13.263 -3.806 401 1HB SER 55 2HB SER 55 0.677 12.882 -1.320 402 2HB SER 55 3HB SER 55 2.066 13.933 -1.133 403 HG SER 55 HG SER 55 1.280 15.203 -2.950 404 H ASN 56 HN ASN 56 3.961 11.254 -4.048 405 HA ASN 56 HA ASN 56 6.141 11.977 -2.551 406 1HB ASN 56 2HB ASN 56 4.469 10.285 -1.038 407 2HB ASN 56 3HB ASN 56 5.665 9.182 -1.691 408 1HD2 ASN 56 1HD ASN 56 5.279 12.290 -0.033 409 2HD2 ASN 56 2HD ASN 56 6.736 12.231 0.904 410 H ASN 57 HN ASN 57 7.817 9.801 -2.688 411 HA ASN 57 HA ASN 57 8.152 9.430 -5.397 412 1HB ASN 57 2HB ASN 57 9.813 7.631 -4.664 413 2HB ASN 57 3HB ASN 57 10.041 9.181 -3.879 414 1HD2 ASN 57 1HD ASN 57 9.454 9.479 -1.734 415 2HD2 ASN 57 2HD ASN 57 9.193 8.165 -0.635 416 H GLY 58 HN GLY 58 6.476 8.390 -6.555 417 1HA GLY 58 1HA GLY 58 6.200 5.620 -6.465 418 2HA GLY 58 2HA GLY 58 4.895 6.295 -5.509 419 HA PRO 59 HA PRO 59 4.417 7.275 -10.144 420 1HB PRO 59 2HB PRO 59 4.836 5.079 -11.717 421 2HB PRO 59 3HB PRO 59 6.028 6.345 -11.503 422 1HG PRO 59 2HG PRO 59 5.981 3.629 -10.339 423 2HG PRO 59 3HG PRO 59 7.331 4.736 -10.488 424 1HD PRO 59 2HD PRO 59 5.835 4.167 -8.108 425 2HD PRO 59 3HD PRO 59 7.107 5.358 -8.286 426 H THR 60 HN THR 60 2.395 7.369 -8.917 427 HA THR 60 HA THR 60 0.769 5.019 -8.996 428 HB THR 60 HB THR 60 0.573 6.691 -7.192 429 HG1 THR 60 HG1 THR 60 -1.653 6.941 -9.079 430 1HG2 THR 60 1HG THR 60 -0.030 8.561 -9.527 431 2HG2 THR 60 2HG THR 60 -0.644 8.893 -7.890 432 3HG2 THR 60 3HG THR 60 1.110 8.816 -8.184 433 H LYS 61 HN LYS 61 1.580 5.069 -11.519 434 HA LYS 61 HA LYS 61 -0.683 6.274 -12.957 435 1HB LYS 61 2HB LYS 61 0.682 6.930 -14.636 436 2HB LYS 61 3HB LYS 61 1.882 6.938 -13.359 437 1HG LYS 61 2HG LYS 61 2.320 4.446 -13.992 438 2HG LYS 61 3HG LYS 61 1.395 4.773 -15.444 439 1HD LYS 61 2HD LYS 61 3.525 5.289 -16.221 440 2HD LYS 61 3HD LYS 61 3.032 6.872 -15.653 441 1HE LYS 61 2HE LYS 61 4.314 6.689 -13.641 442 2HE LYS 61 3HE LYS 61 4.456 4.947 -13.782 443 1HZ LYS 61 1HZ LYS 61 5.703 6.906 -15.582 444 2HZ LYS 61 2HZ LYS 61 6.472 6.029 -14.440 445 3HZ LYS 61 3HZ LYS 61 5.821 5.284 -15.738 446 H CYS 62 HN CYS 62 1.289 3.392 -12.276 447 HA CYS 62 HA CYS 62 -0.762 1.647 -12.812 448 1HB CYS 62 2HB CYS 62 -0.672 2.181 -15.130 449 2HB CYS 62 3HB CYS 62 1.075 2.041 -15.172 450 H GLY 63 HN GLY 63 2.804 2.060 -13.421 451 1HA GLY 63 1HA GLY 63 3.322 -0.443 -11.986 452 2HA GLY 63 2HA GLY 63 4.443 0.458 -12.987 453 H GLY 64 HN GLY 64 2.299 1.766 -10.391 454 1HA GLY 64 1HA GLY 64 4.644 2.949 -9.118 455 2HA GLY 64 2HA GLY 64 2.959 3.312 -8.805 456 H CYS 65 HN CYS 65 4.739 0.146 -8.872 457 HA CYS 65 HA CYS 65 5.210 -0.298 -6.304 458 1HB CYS 65 2HB CYS 65 3.089 -1.621 -5.595 459 2HB CYS 65 3HB CYS 65 3.179 0.111 -5.348 460 H HIS 66 HN HIS 66 3.162 -1.714 -8.951 461 HA HIS 66 HA HIS 66 4.021 -4.334 -8.593 462 1HB HIS 66 2HB HIS 66 2.760 -2.799 -10.847 463 2HB HIS 66 3HB HIS 66 3.317 -4.438 -11.123 464 HD1 HIS 66 HD1 HIS 66 2.440 -5.968 -8.690 465 HD2 HIS 66 HD2 HIS 66 0.077 -2.963 -10.417 466 HE1 HIS 66 HE1 HIS 66 0.041 -6.432 -7.953 467 H ILE 67 HN ILE 67 6.040 -5.151 -8.770 468 HA ILE 67 HA ILE 67 8.000 -3.666 -10.285 469 HB ILE 67 HB ILE 67 8.169 -6.105 -8.516 470 1HG1 ILE 67 2HG ILE 67 9.649 -3.773 -7.658 471 2HG1 ILE 67 3HG ILE 67 7.967 -3.354 -7.915 472 1HG2 ILE 67 1HG ILE 67 10.387 -4.590 -9.919 473 2HG2 ILE 67 2HG ILE 67 10.617 -5.826 -8.657 474 3HG2 ILE 67 3HG ILE 67 9.884 -6.271 -10.217 475 1HD1 ILE 67 1HD ILE 67 7.771 -4.161 -5.763 476 2HD1 ILE 67 2HD ILE 67 7.603 -5.712 -6.620 477 3HD1 ILE 67 3HD ILE 67 9.175 -5.242 -5.930 478 H LYS 68 HN LYS 68 7.784 -3.890 -12.472 479 HA LYS 68 HA LYS 68 8.295 -6.497 -13.542 480 1HB LYS 68 2HB LYS 68 5.814 -6.516 -13.153 481 2HB LYS 68 3HB LYS 68 5.667 -5.170 -14.264 482 1HG LYS 68 2HG LYS 68 6.829 -6.576 -16.033 483 2HG LYS 68 3HG LYS 68 6.806 -7.928 -14.918 484 1HD LYS 68 2HD LYS 68 4.174 -7.234 -14.796 485 2HD LYS 68 3HD LYS 68 4.534 -6.654 -16.410 486 1HE LYS 68 2HE LYS 68 3.788 -8.961 -16.605 487 2HE LYS 68 3HE LYS 68 5.502 -8.926 -16.969 488 1HZ LYS 68 1HZ LYS 68 5.367 -9.277 -14.278 489 2HZ LYS 68 2HZ LYS 68 4.171 -10.228 -14.855 490 3HZ LYS 68 3HZ LYS 68 5.701 -10.428 -15.387 491 HHA HEC 98 HGM HEC 98 -4.604 -5.116 8.798 492 HHB HEC 98 HDM HEC 98 -2.563 -2.231 13.944 493 HHC HEC 98 HAM HEC 98 1.415 1.137 10.347 494 HHD HEC 98 HBM HEC 98 -1.071 -1.516 5.287 495 1HMA HEC 98 1HM HEC 98 -3.358 -5.378 14.311 496 2HMA HEC 98 2HM HEC 98 -3.983 -3.738 14.607 497 3HMA HEC 98 3HM HEC 98 -5.079 -5.019 14.040 498 1HAA HEC 98 1HA HEC 98 -5.408 -6.421 12.191 499 2HAA HEC 98 2HA HEC 98 -5.797 -5.879 10.540 500 1HBA HEC 98 3HB HEC 98 -4.764 -7.872 9.926 501 2HBA HEC 98 4HB HEC 98 -3.271 -6.930 10.140 502 1HMB HEC 98 1HM HEC 98 -1.989 -0.804 15.152 503 2HMB HEC 98 2HM HEC 98 -0.335 -0.267 15.531 504 3HMB HEC 98 3HM HEC 98 -1.561 0.919 15.024 505 HAB HEC 98 HT2 HEC 98 1.585 1.878 12.230 506 1HBB HEC 98 1HT HEC 98 2.303 0.612 14.796 507 2HBB HEC 98 2HT HEC 98 2.745 -0.105 13.228 508 3HBB HEC 98 3HT HEC 98 3.275 1.545 13.632 509 1HMC HEC 98 1HM HEC 98 1.814 2.862 7.677 510 2HMC HEC 98 2HM HEC 98 2.530 1.947 9.025 511 3HMC HEC 98 3HM HEC 98 3.048 1.621 7.354 512 HAC HEC 98 HT4 HEC 98 -0.397 1.118 4.927 513 1HBC HEC 98 1HT HEC 98 0.365 -0.670 3.756 514 2HBC HEC 98 2HT HEC 98 1.862 0.280 3.590 515 3HBC HEC 98 3HT HEC 98 1.724 -0.947 4.871 516 1HMD HEC 98 1HM HEC 98 -3.587 -2.670 3.766 517 2HMD HEC 98 2HM HEC 98 -1.808 -2.658 3.836 518 3HMD HEC 98 3HM HEC 98 -2.684 -4.205 3.739 519 1HAD HEC 98 1HA HEC 98 -4.815 -5.835 6.660 520 2HAD HEC 98 2HA HEC 98 -4.818 -5.066 5.054 521 1HBD HEC 98 3HB HEC 98 -3.013 -6.266 4.323 522 2HBD HEC 98 4HB HEC 98 -2.364 -6.506 5.964 523 HHA HEC 128 HGM HEC 128 9.283 2.312 -0.687 524 HHB HEC 128 HDM HEC 128 4.569 -1.326 -2.560 525 HHC HEC 128 HAM HEC 128 0.679 1.956 1.210 526 HHD HEC 128 HBM HEC 128 5.407 5.767 2.604 527 1HMA HEC 128 1HM HEC 128 7.868 -1.768 -3.855 528 2HMA HEC 128 2HM HEC 128 7.789 -2.729 -2.359 529 3HMA HEC 128 3HM HEC 128 6.293 -2.298 -3.220 530 1HAA HEC 128 1HA HEC 128 9.940 0.248 -2.844 531 2HAA HEC 128 2HA HEC 128 10.220 0.595 -1.122 532 1HBA HEC 128 3HB HEC 128 9.805 -1.875 -0.622 533 2HBA HEC 128 4HB HEC 128 9.713 -2.169 -2.374 534 1HMB HEC 128 1HM HEC 128 2.194 -1.178 -3.631 535 2HMB HEC 128 2HM HEC 128 2.405 -2.518 -2.480 536 3HMB HEC 128 3HM HEC 128 0.807 -1.761 -2.680 537 HAB HEC 128 HT2 HEC 128 -0.500 0.684 0.135 538 1HBB HEC 128 1HT HEC 128 -1.512 -1.274 0.808 539 2HBB HEC 128 2HT HEC 128 -0.226 -2.273 0.089 540 3HBB HEC 128 3HT HEC 128 0.139 -1.210 1.469 541 1HMC HEC 128 1HM HEC 128 0.167 3.564 3.713 542 2HMC HEC 128 2HM HEC 128 -0.097 5.053 2.777 543 3HMC HEC 128 3HM HEC 128 -0.354 3.466 2.015 544 HAC HEC 128 HT4 HEC 128 3.550 6.600 3.586 545 1HBC HEC 128 1HT HEC 128 1.080 5.493 4.439 546 2HBC HEC 128 2HT HEC 128 1.945 6.884 5.134 547 3HBC HEC 128 3HT HEC 128 0.715 7.141 3.873 548 1HMD HEC 128 1HM HEC 128 8.554 7.119 1.830 549 2HMD HEC 128 2HM HEC 128 6.979 7.001 2.650 550 3HMD HEC 128 3HM HEC 128 8.414 6.231 3.367 551 1HAD HEC 128 1HA HEC 128 10.279 5.184 1.973 552 2HAD HEC 128 2HA HEC 128 10.505 3.531 1.356 553 1HBD HEC 128 3HB HEC 128 9.851 5.522 -0.703 554 2HBD HEC 128 4HB HEC 128 11.396 5.791 0.140 555 HHA HEC 158 HGM HEC 158 -3.200 -7.672 -7.161 556 HHB HEC 158 HDM HEC 158 -2.766 -5.926 -13.139 557 HHC HEC 158 HAM HEC 158 -1.163 -0.110 -11.211 558 HHD HEC 158 HBM HEC 158 -1.199 -2.157 -5.328 559 1HMA HEC 158 1HM HEC 158 -5.146 -8.370 -12.277 560 2HMA HEC 158 2HM HEC 158 -3.740 -7.770 -13.187 561 3HMA HEC 158 3HM HEC 158 -3.617 -9.280 -12.254 562 1HAA HEC 158 1HA HEC 158 -4.295 -8.974 -8.033 563 2HAA HEC 158 2HA HEC 158 -5.386 -9.207 -9.420 564 1HBA HEC 158 3HB HEC 158 -2.918 -9.993 -10.479 565 2HBA HEC 158 4HB HEC 158 -2.801 -10.567 -8.799 566 1HMB HEC 158 1HM HEC 158 -1.086 -4.854 -14.820 567 2HMB HEC 158 2HM HEC 158 -2.790 -4.436 -15.113 568 3HMB HEC 158 3HM HEC 158 -1.505 -3.284 -15.545 569 HAB HEC 158 HT2 HEC 158 -0.508 -0.387 -13.464 570 1HBB HEC 158 1HT HEC 158 -2.172 1.031 -14.469 571 2HBB HEC 158 2HT HEC 158 -3.412 -0.173 -14.046 572 3HBB HEC 158 3HT HEC 158 -2.459 0.613 -12.765 573 1HMC HEC 158 1HM HEC 158 -1.101 2.240 -8.841 574 2HMC HEC 158 2HM HEC 158 0.591 1.740 -9.074 575 3HMC HEC 158 3HM HEC 158 -0.599 1.484 -10.373 576 HAC HEC 158 HT4 HEC 158 -0.278 -0.196 -5.312 577 1HBC HEC 158 1HT HEC 158 -0.349 2.358 -6.962 578 2HBC HEC 158 2HT HEC 158 -1.425 1.877 -5.628 579 3HBC HEC 158 3HT HEC 158 0.270 2.304 -5.294 580 1HMD HEC 158 1HM HEC 158 -2.379 -4.353 -2.870 581 2HMD HEC 158 2HM HEC 158 -0.640 -4.450 -3.234 582 3HMD HEC 158 3HM HEC 158 -1.525 -2.934 -3.524 583 1HAD HEC 158 1HA HEC 158 -3.028 -6.305 -3.355 584 2HAD HEC 158 2HA HEC 158 -4.102 -6.954 -4.616 585 1HBD HEC 158 3HB HEC 158 -1.945 -8.201 -5.404 586 2HBD HEC 158 4HB HEC 158 -1.401 -7.887 -3.738 Start of MODEL 23 1 H ALA 1 HN ALA 1 4.658 -3.416 12.922 2 HA ALA 1 HA ALA 1 4.381 -5.612 12.854 3 1HB ALA 1 1HB ALA 1 3.878 -6.130 10.062 4 2HB ALA 1 2HB ALA 1 2.742 -6.188 11.431 5 3HB ALA 1 3HB ALA 1 2.999 -4.662 10.551 6 H ASP 2 HN ASP 2 5.516 -5.350 9.442 7 HA ASP 2 HA ASP 2 8.105 -5.370 9.571 8 1HB ASP 2 2HB ASP 2 7.120 -7.893 10.820 9 2HB ASP 2 3HB ASP 2 8.370 -8.126 9.615 10 H VAL 3 HN VAL 3 6.579 -4.778 7.531 11 HA VAL 3 HA VAL 3 6.078 -5.110 5.406 12 HB VAL 3 HB VAL 3 7.899 -7.502 5.372 13 1HG1 VAL 3 1HG VAL 3 6.942 -5.447 3.410 14 2HG1 VAL 3 2HG VAL 3 8.552 -6.171 3.182 15 3HG1 VAL 3 3HG VAL 3 7.107 -7.210 3.230 16 1HG2 VAL 3 1HG VAL 3 9.703 -5.645 4.895 17 2HG2 VAL 3 2HG VAL 3 8.617 -4.629 5.873 18 3HG2 VAL 3 3HG VAL 3 9.309 -6.115 6.567 19 H VAL 4 HN VAL 4 5.102 -6.764 3.776 20 HA VAL 4 HA VAL 4 3.999 -9.125 4.958 21 HB VAL 4 HB VAL 4 2.322 -6.665 4.511 22 1HG1 VAL 4 1HG VAL 4 0.791 -7.969 3.505 23 2HG1 VAL 4 2HG VAL 4 1.608 -9.472 3.997 24 3HG1 VAL 4 3HG VAL 4 0.510 -8.644 5.128 25 1HG2 VAL 4 1HG VAL 4 1.367 -7.558 6.754 26 2HG2 VAL 4 2HG VAL 4 2.847 -8.544 6.810 27 3HG2 VAL 4 3HG VAL 4 2.962 -6.769 6.755 28 H THR 5 HN THR 5 5.483 -9.665 3.071 29 HA THR 5 HA THR 5 5.167 -8.958 0.493 30 HB THR 5 HB THR 5 5.639 -11.708 1.750 31 HG1 THR 5 HG1 THR 5 7.218 -10.072 2.232 32 1HG2 THR 5 1HG THR 5 6.826 -11.006 -0.900 33 2HG2 THR 5 2HG THR 5 6.216 -12.572 -0.316 34 3HG2 THR 5 3HG THR 5 5.080 -11.348 -0.933 35 H TYR 6 HN TYR 6 3.943 -9.579 -1.327 36 HA TYR 6 HA TYR 6 1.521 -11.105 -0.765 37 1HB TYR 6 2HB TYR 6 1.827 -8.200 -1.087 38 2HB TYR 6 3HB TYR 6 0.927 -8.820 -2.455 39 HD1 TYR 6 HD1 TYR 6 0.979 -9.077 1.290 40 HD2 TYR 6 HD2 TYR 6 -1.384 -9.000 -2.276 41 HE1 TYR 6 HE1 TYR 6 -1.145 -9.103 2.688 42 HE2 TYR 6 HE2 TYR 6 -3.500 -9.025 -0.866 43 HH TYR 6 HH TYR 6 -3.425 -9.708 2.482 44 H GLU 7 HN GLU 7 2.560 -12.746 -2.083 45 HA GLU 7 HA GLU 7 3.640 -12.293 -4.545 46 1HB GLU 7 2HB GLU 7 2.183 -14.693 -3.382 47 2HB GLU 7 3HB GLU 7 2.906 -14.746 -4.977 48 1HG GLU 7 2HG GLU 7 5.114 -14.434 -4.128 49 2HG GLU 7 3HG GLU 7 4.540 -13.803 -2.599 50 H ASN 8 HN ASN 8 2.851 -12.196 -6.686 51 HA ASN 8 HA ASN 8 -0.046 -12.247 -6.922 52 1HB ASN 8 2HB ASN 8 1.884 -10.044 -7.691 53 2HB ASN 8 3HB ASN 8 0.500 -10.315 -8.732 54 1HD2 ASN 8 1HD ASN 8 1.511 -9.699 -5.407 55 2HD2 ASN 8 2HD ASN 8 0.073 -8.896 -4.871 56 H LYS 9 HN LYS 9 -0.376 -11.877 -9.622 57 HA LYS 9 HA LYS 9 1.268 -14.013 -10.760 58 1HB LYS 9 2HB LYS 9 -1.114 -14.463 -10.729 59 2HB LYS 9 3HB LYS 9 -1.461 -12.938 -11.522 60 1HG LYS 9 2HG LYS 9 -0.810 -13.704 -13.600 61 2HG LYS 9 3HG LYS 9 0.505 -14.667 -12.955 62 1HD LYS 9 2HD LYS 9 -1.597 -16.070 -11.929 63 2HD LYS 9 3HD LYS 9 -2.376 -15.406 -13.351 64 1HE LYS 9 2HE LYS 9 -1.437 -17.128 -14.508 65 2HE LYS 9 3HE LYS 9 0.082 -16.265 -14.363 66 1HZ LYS 9 1HZ LYS 9 0.509 -17.445 -12.329 67 2HZ LYS 9 2HZ LYS 9 -0.926 -18.219 -12.414 68 3HZ LYS 9 3HZ LYS 9 0.227 -18.513 -13.532 69 H LYS 10 HN LYS 10 0.483 -10.580 -10.937 70 HA LYS 10 HA LYS 10 2.288 -10.398 -13.248 71 1HB LYS 10 2HB LYS 10 -0.429 -9.655 -13.138 72 2HB LYS 10 3HB LYS 10 0.468 -8.154 -13.048 73 1HG LYS 10 2HG LYS 10 0.973 -10.325 -15.137 74 2HG LYS 10 3HG LYS 10 -0.025 -8.911 -15.413 75 1HD LYS 10 2HD LYS 10 1.846 -7.789 -16.026 76 2HD LYS 10 3HD LYS 10 2.380 -7.865 -14.359 77 1HE LYS 10 2HE LYS 10 4.077 -9.244 -14.954 78 2HE LYS 10 3HE LYS 10 2.924 -10.435 -15.521 79 1HZ LYS 10 1HZ LYS 10 4.502 -9.583 -17.210 80 2HZ LYS 10 2HZ LYS 10 2.932 -9.464 -17.642 81 3HZ LYS 10 3HZ LYS 10 3.747 -8.137 -17.149 82 H GLY 11 HN GLY 11 3.857 -10.420 -11.322 83 1HA GLY 11 1HA GLY 11 5.454 -9.136 -10.337 84 2HA GLY 11 2HA GLY 11 4.570 -7.685 -10.765 85 H ASN 12 HN ASN 12 5.677 -9.385 -8.164 86 HA ASN 12 HA ASN 12 3.417 -9.460 -6.521 87 1HB ASN 12 2HB ASN 12 5.257 -9.502 -4.663 88 2HB ASN 12 3HB ASN 12 5.257 -10.814 -5.824 89 1HD2 ASN 12 1HD ASN 12 7.471 -11.091 -5.230 90 2HD2 ASN 12 2HD ASN 12 8.718 -10.132 -5.952 91 H VAL 13 HN VAL 13 2.987 -7.994 -4.632 92 HA VAL 13 HA VAL 13 4.130 -5.315 -5.029 93 HB VAL 13 HB VAL 13 1.920 -5.235 -5.849 94 1HG1 VAL 13 1HG VAL 13 0.035 -5.922 -4.088 95 2HG1 VAL 13 2HG VAL 13 0.737 -7.093 -5.231 96 3HG1 VAL 13 3HG VAL 13 1.310 -7.039 -3.547 97 1HG2 VAL 13 1HG VAL 13 1.081 -3.482 -4.615 98 2HG2 VAL 13 2HG VAL 13 1.396 -4.281 -3.056 99 3HG2 VAL 13 3HG VAL 13 2.740 -3.557 -3.972 100 H THR 14 HN THR 14 5.488 -7.070 -3.417 101 HA THR 14 HA THR 14 4.728 -7.473 -0.847 102 HB THR 14 HB THR 14 7.349 -6.837 -2.232 103 HG1 THR 14 HG1 THR 14 6.180 -8.946 -2.272 104 1HG2 THR 14 1HG THR 14 6.836 -6.633 0.670 105 2HG2 THR 14 2HG THR 14 7.987 -7.933 0.280 106 3HG2 THR 14 3HG THR 14 8.322 -6.263 -0.235 107 H PHE 15 HN PHE 15 3.372 -5.989 0.114 108 HA PHE 15 HA PHE 15 3.724 -3.255 0.075 109 1HB PHE 15 2HB PHE 15 2.616 -5.174 2.213 110 2HB PHE 15 3HB PHE 15 2.303 -3.450 2.213 111 HD1 PHE 15 HD1 PHE 15 1.445 -2.622 -0.264 112 HD2 PHE 15 HD2 PHE 15 0.886 -6.468 1.440 113 HE1 PHE 15 HE1 PHE 15 -0.556 -2.985 -1.736 114 HE2 PHE 15 HE2 PHE 15 -1.113 -6.831 -0.032 115 HZ PHE 15 HZ PHE 15 -1.811 -5.085 -1.603 116 H ASP 16 HN ASP 16 3.766 -2.311 2.704 117 HA ASP 16 HA ASP 16 6.245 -3.282 3.820 118 1HB ASP 16 2HB ASP 16 5.728 -0.444 2.847 119 2HB ASP 16 3HB ASP 16 6.924 -0.773 4.085 120 H HIS 17 HN HIS 17 6.037 -3.299 6.080 121 HA HIS 17 HA HIS 17 3.792 -1.764 7.162 122 1HB HIS 17 2HB HIS 17 4.683 -4.502 7.502 123 2HB HIS 17 3HB HIS 17 4.630 -3.680 9.048 124 HD1 HIS 17 HD1 HIS 17 2.626 -5.907 8.601 125 HD2 HIS 17 HD2 HIS 17 1.842 -1.911 7.593 126 HE1 HIS 17 HE1 HIS 17 0.087 -5.669 8.543 127 H LYS 18 HN LYS 18 7.066 -3.037 8.120 128 HA LYS 18 HA LYS 18 7.345 -1.113 10.173 129 1HB LYS 18 2HB LYS 18 8.468 -3.467 9.783 130 2HB LYS 18 3HB LYS 18 9.676 -2.534 8.923 131 1HG LYS 18 2HG LYS 18 10.252 -1.257 10.859 132 2HG LYS 18 3HG LYS 18 8.767 -1.674 11.691 133 1HD LYS 18 2HD LYS 18 9.536 -4.072 11.811 134 2HD LYS 18 3HD LYS 18 11.040 -3.610 11.037 135 1HE LYS 18 2HE LYS 18 11.193 -1.831 13.005 136 2HE LYS 18 3HE LYS 18 10.036 -2.879 13.801 137 1HZ LYS 18 1HZ LYS 18 12.639 -3.257 13.887 138 2HZ LYS 18 2HZ LYS 18 11.562 -4.474 14.048 139 3HZ LYS 18 3HZ LYS 18 12.287 -4.210 12.609 140 H ALA 19 HN ALA 19 8.756 -1.435 6.845 141 HA ALA 19 HA ALA 19 10.245 0.889 6.896 142 1HB ALA 19 1HB ALA 19 10.051 -1.084 5.174 143 2HB ALA 19 2HB ALA 19 8.813 -0.056 4.413 144 3HB ALA 19 3HB ALA 19 10.479 0.543 4.595 145 H HIS 20 HN HIS 20 6.765 0.335 6.162 146 HA HIS 20 HA HIS 20 6.334 3.024 5.378 147 1HB HIS 20 2HB HIS 20 4.643 0.613 5.903 148 2HB HIS 20 3HB HIS 20 3.861 2.181 5.894 149 HD1 HIS 20 HD1 HIS 20 3.204 0.087 3.714 150 HD2 HIS 20 HD2 HIS 20 6.107 3.085 3.293 151 HE1 HIS 20 HE1 HIS 20 3.513 0.436 1.205 152 H ALA 21 HN ALA 21 5.139 1.152 8.263 153 HA ALA 21 HA ALA 21 4.104 3.130 9.727 154 1HB ALA 21 1HB ALA 21 4.089 0.854 10.496 155 2HB ALA 21 2HB ALA 21 5.866 0.810 10.595 156 3HB ALA 21 3HB ALA 21 4.936 1.813 11.734 157 H GLU 22 HN GLU 22 7.621 2.387 9.369 158 HA GLU 22 HA GLU 22 8.734 3.934 11.190 159 1HB GLU 22 2HB GLU 22 9.479 3.592 8.264 160 2HB GLU 22 3HB GLU 22 10.508 4.484 9.367 161 1HG GLU 22 2HG GLU 22 9.652 1.911 10.519 162 2HG GLU 22 3HG GLU 22 10.483 1.692 8.991 163 H LYS 23 HN LYS 23 7.675 5.182 7.937 164 HA LYS 23 HA LYS 23 7.953 7.890 8.941 165 1HB LYS 23 2HB LYS 23 7.457 6.687 6.214 166 2HB LYS 23 3HB LYS 23 7.273 8.404 6.511 167 1HG LYS 23 2HG LYS 23 9.808 6.903 7.288 168 2HG LYS 23 3HG LYS 23 9.593 7.587 5.689 169 1HD LYS 23 2HD LYS 23 9.627 9.803 6.472 170 2HD LYS 23 3HD LYS 23 9.068 9.363 8.073 171 1HE LYS 23 2HE LYS 23 11.194 8.791 8.822 172 2HE LYS 23 3HE LYS 23 11.721 8.230 7.247 173 1HZ LYS 23 1HZ LYS 23 11.448 11.016 8.124 174 2HZ LYS 23 2HZ LYS 23 12.816 10.238 7.692 175 3HZ LYS 23 3HZ LYS 23 11.693 10.600 6.564 176 H LEU 24 HN LEU 24 5.444 5.560 7.824 177 HA LEU 24 HA LEU 24 3.319 7.396 8.007 178 1HB LEU 24 2HB LEU 24 3.494 4.389 7.963 179 2HB LEU 24 3HB LEU 24 1.963 5.231 8.098 180 HG LEU 24 HG LEU 24 2.664 6.472 5.942 181 1HD1 LEU 24 1HD LEU 24 5.019 5.820 5.954 182 2HD1 LEU 24 2HD LEU 24 4.557 4.109 5.786 183 3HD1 LEU 24 3HD LEU 24 4.201 5.260 4.476 184 1HD2 LEU 24 1HD LEU 24 2.243 3.728 5.068 185 2HD2 LEU 24 2HD LEU 24 1.191 4.167 6.435 186 3HD2 LEU 24 3HD LEU 24 1.175 5.149 4.950 187 H GLY 25 HN GLY 25 2.631 4.586 9.896 188 1HA GLY 25 1HA GLY 25 3.279 4.706 12.367 189 2HA GLY 25 2HA GLY 25 2.509 6.280 12.307 190 H CYS 26 HN CYS 26 1.522 3.299 10.520 191 HA CYS 26 HA CYS 26 -0.285 2.052 10.615 192 1HB CYS 26 2HB CYS 26 -1.305 3.003 13.223 193 2HB CYS 26 3HB CYS 26 -1.125 1.375 12.599 194 H ASP 27 HN ASP 27 -1.245 5.002 12.533 195 HA ASP 27 HA ASP 27 -3.711 5.331 11.640 196 1HB ASP 27 2HB ASP 27 -1.529 7.189 12.466 197 2HB ASP 27 3HB ASP 27 -2.835 7.956 11.584 198 H ALA 28 HN ALA 28 -0.660 6.438 10.013 199 HA ALA 28 HA ALA 28 -1.636 7.867 7.934 200 1HB ALA 28 1HB ALA 28 0.522 7.764 7.288 201 2HB ALA 28 2HB ALA 28 0.789 6.692 8.683 202 3HB ALA 28 3HB ALA 28 0.450 5.998 7.080 203 H CYS 29 HN CYS 29 -2.007 4.417 8.568 204 HA CYS 29 HA CYS 29 -3.261 4.156 5.932 205 1HB CYS 29 2HB CYS 29 -1.940 2.042 7.645 206 2HB CYS 29 3HB CYS 29 -2.867 1.705 6.196 207 H HIS 30 HN HIS 30 -3.319 2.591 9.228 208 HA HIS 30 HA HIS 30 -6.140 2.170 8.976 209 1HB HIS 30 2HB HIS 30 -4.483 1.717 11.457 210 2HB HIS 30 3HB HIS 30 -5.962 0.913 10.970 211 HD1 HIS 30 HD1 HIS 30 -5.779 -0.949 9.112 212 HD2 HIS 30 HD2 HIS 30 -2.116 0.675 10.350 213 HE1 HIS 30 HE1 HIS 30 -3.970 -2.516 8.231 214 H GLU 31 HN GLU 31 -6.990 2.600 11.666 215 HA GLU 31 HA GLU 31 -6.355 5.045 12.698 216 1HB GLU 31 2HB GLU 31 -7.731 5.395 10.260 217 2HB GLU 31 3HB GLU 31 -8.952 5.664 11.488 218 1HG GLU 31 2HG GLU 31 -6.707 7.024 12.496 219 2HG GLU 31 3HG GLU 31 -6.624 7.326 10.772 220 H GLY 32 HN GLY 32 -6.678 3.768 14.592 221 1HA GLY 32 1HA GLY 32 -8.008 3.407 16.428 222 2HA GLY 32 2HA GLY 32 -9.448 3.656 15.462 223 H THR 33 HN THR 33 -6.792 1.330 16.176 224 HA THR 33 HA THR 33 -6.800 -0.896 16.282 225 HB THR 33 HB THR 33 -9.799 -0.816 15.695 226 HG1 THR 33 HG1 THR 33 -8.308 -0.599 18.210 227 1HG2 THR 33 1HG THR 33 -8.264 -2.551 17.674 228 2HG2 THR 33 2HG THR 33 -9.893 -2.817 17.007 229 3HG2 THR 33 3HG THR 33 -8.460 -3.056 15.979 230 HA PRO 34 HA PRO 34 -6.309 -1.358 11.952 231 1HB PRO 34 2HB PRO 34 -4.076 -2.930 12.072 232 2HB PRO 34 3HB PRO 34 -4.015 -1.179 12.037 233 1HG PRO 34 2HG PRO 34 -3.578 -3.003 14.321 234 2HG PRO 34 3HG PRO 34 -3.115 -1.321 14.156 235 1HD PRO 34 2HD PRO 34 -5.320 -2.353 15.673 236 2HD PRO 34 3HD PRO 34 -4.926 -0.666 15.412 237 H ALA 35 HN ALA 35 -5.763 -3.434 10.507 238 HA ALA 35 HA ALA 35 -6.413 -5.917 11.437 239 1HB ALA 35 1HB ALA 35 -8.943 -5.338 10.186 240 2HB ALA 35 2HB ALA 35 -8.624 -5.959 11.823 241 3HB ALA 35 3HB ALA 35 -8.692 -4.204 11.534 242 H LYS 36 HN LYS 36 -6.936 -7.440 9.604 243 HA LYS 36 HA LYS 36 -5.374 -6.850 7.398 244 1HB LYS 36 2HB LYS 36 -5.922 -8.969 6.647 245 2HB LYS 36 3HB LYS 36 -6.177 -9.110 8.375 246 1HG LYS 36 2HG LYS 36 -8.171 -10.031 7.600 247 2HG LYS 36 3HG LYS 36 -8.663 -8.359 7.780 248 1HD LYS 36 2HD LYS 36 -9.381 -8.666 5.607 249 2HD LYS 36 3HD LYS 36 -7.731 -8.199 5.249 250 1HE LYS 36 2HE LYS 36 -8.217 -10.217 3.983 251 2HE LYS 36 3HE LYS 36 -7.079 -10.645 5.245 252 1HZ LYS 36 1HZ LYS 36 -8.566 -11.978 6.156 253 2HZ LYS 36 2HZ LYS 36 -9.765 -10.869 6.116 254 3HZ LYS 36 3HZ LYS 36 -9.476 -11.808 4.811 255 H ILE 37 HN ILE 37 -5.710 -5.226 5.974 256 HA ILE 37 HA ILE 37 -8.352 -4.269 5.472 257 HB ILE 37 HB ILE 37 -5.683 -3.601 4.225 258 1HG1 ILE 37 2HG ILE 37 -7.133 -1.799 6.119 259 2HG1 ILE 37 3HG ILE 37 -6.297 -3.187 6.787 260 1HG2 ILE 37 1HG ILE 37 -6.678 -1.740 3.184 261 2HG2 ILE 37 2HG ILE 37 -7.759 -3.109 2.832 262 3HG2 ILE 37 3HG ILE 37 -8.196 -1.932 4.094 263 1HD1 ILE 37 1HD ILE 37 -5.065 -0.814 6.322 264 2HD1 ILE 37 2HD ILE 37 -4.206 -2.371 6.251 265 3HD1 ILE 37 3HD ILE 37 -4.776 -1.601 4.751 266 H ALA 38 HN ALA 38 -9.519 -4.346 3.475 267 HA ALA 38 HA ALA 38 -9.158 -6.849 2.121 268 1HB ALA 38 1HB ALA 38 -11.329 -5.423 2.825 269 2HB ALA 38 2HB ALA 38 -11.110 -4.789 1.176 270 3HB ALA 38 3HB ALA 38 -11.328 -6.535 1.437 271 H ILE 39 HN ILE 39 -6.966 -6.390 1.258 272 HA ILE 39 HA ILE 39 -6.995 -4.443 -0.925 273 HB ILE 39 HB ILE 39 -4.811 -5.768 0.661 274 1HG1 ILE 39 2HG ILE 39 -5.872 -3.757 1.606 275 2HG1 ILE 39 3HG ILE 39 -4.182 -3.502 1.216 276 1HG2 ILE 39 1HG ILE 39 -3.469 -4.110 -1.036 277 2HG2 ILE 39 2HG ILE 39 -3.612 -5.873 -1.232 278 3HG2 ILE 39 3HG ILE 39 -4.713 -4.787 -2.114 279 1HD1 ILE 39 1HD ILE 39 -6.581 -2.206 0.090 280 2HD1 ILE 39 2HD ILE 39 -4.889 -1.654 0.092 281 3HD1 ILE 39 3HD ILE 39 -5.454 -2.786 -1.160 282 H ASP 40 HN ASP 40 -7.044 -5.076 -3.029 283 HA ASP 40 HA ASP 40 -5.972 -7.517 -3.857 284 1HB ASP 40 2HB ASP 40 -8.547 -7.777 -2.783 285 2HB ASP 40 3HB ASP 40 -8.860 -7.620 -4.501 286 H LYS 41 HN LYS 41 -8.692 -5.167 -4.461 287 HA LYS 41 HA LYS 41 -7.481 -3.852 -6.553 288 1HB LYS 41 2HB LYS 41 -8.460 -6.442 -7.356 289 2HB LYS 41 3HB LYS 41 -9.395 -5.195 -8.157 290 1HG LYS 41 2HG LYS 41 -7.502 -4.262 -9.223 291 2HG LYS 41 3HG LYS 41 -6.383 -4.915 -8.042 292 1HD LYS 41 2HD LYS 41 -5.979 -6.588 -9.526 293 2HD LYS 41 3HD LYS 41 -7.560 -7.220 -9.105 294 1HE LYS 41 2HE LYS 41 -8.241 -5.253 -10.933 295 2HE LYS 41 3HE LYS 41 -6.692 -5.778 -11.564 296 1HZ LYS 41 1HZ LYS 41 -8.572 -7.068 -12.392 297 2HZ LYS 41 2HZ LYS 41 -7.484 -8.007 -11.615 298 3HZ LYS 41 3HZ LYS 41 -8.889 -7.608 -10.883 299 H LYS 42 HN LYS 42 -8.404 -2.090 -5.477 300 HA LYS 42 HA LYS 42 -10.785 -1.145 -6.338 301 1HB LYS 42 2HB LYS 42 -11.238 -3.225 -4.384 302 2HB LYS 42 3HB LYS 42 -11.806 -1.691 -3.757 303 1HG LYS 42 2HG LYS 42 -13.367 -1.391 -5.492 304 2HG LYS 42 3HG LYS 42 -12.471 -2.391 -6.618 305 1HD LYS 42 2HD LYS 42 -13.020 -4.354 -4.937 306 2HD LYS 42 3HD LYS 42 -14.253 -3.270 -4.324 307 1HE LYS 42 2HE LYS 42 -14.864 -3.011 -6.921 308 2HE LYS 42 3HE LYS 42 -14.041 -4.553 -7.053 309 1HZ LYS 42 1HZ LYS 42 -15.906 -5.452 -6.346 310 2HZ LYS 42 2HZ LYS 42 -15.675 -4.774 -4.877 311 3HZ LYS 42 3HZ LYS 42 -16.583 -4.007 -5.998 312 H SER 43 HN SER 43 -8.617 -1.546 -3.504 313 HA SER 43 HA SER 43 -8.811 1.345 -3.165 314 1HB SER 43 2HB SER 43 -9.082 -0.792 -1.260 315 2HB SER 43 3HB SER 43 -7.605 0.067 -0.872 316 HG SER 43 HG SER 43 -9.222 2.046 -1.298 317 H ALA 44 HN ALA 44 -6.637 -1.552 -2.965 318 HA ALA 44 HA ALA 44 -4.249 -0.230 -2.603 319 1HB ALA 44 1HB ALA 44 -5.185 -2.859 -3.171 320 2HB ALA 44 2HB ALA 44 -3.912 -2.493 -4.362 321 3HB ALA 44 3HB ALA 44 -3.565 -2.368 -2.620 322 H HIS 45 HN HIS 45 -6.436 -0.106 -5.274 323 HA HIS 45 HA HIS 45 -4.327 0.603 -7.135 324 1HB HIS 45 2HB HIS 45 -7.189 -0.186 -7.329 325 2HB HIS 45 3HB HIS 45 -6.606 0.937 -8.543 326 HD1 HIS 45 HD1 HIS 45 -6.920 -0.977 -10.343 327 HD2 HIS 45 HD2 HIS 45 -4.038 -1.762 -7.398 328 HE1 HIS 45 HE1 HIS 45 -5.544 -2.949 -11.198 329 H LYS 46 HN LYS 46 -7.172 2.002 -5.420 330 HA LYS 46 HA LYS 46 -5.943 4.605 -5.671 331 1HB LYS 46 2HB LYS 46 -8.651 3.987 -6.881 332 2HB LYS 46 3HB LYS 46 -8.092 5.608 -6.524 333 1HG LYS 46 2HG LYS 46 -7.343 5.461 -8.710 334 2HG LYS 46 3HG LYS 46 -5.933 4.797 -7.909 335 1HD LYS 46 2HD LYS 46 -6.200 2.910 -9.136 336 2HD LYS 46 3HD LYS 46 -7.660 2.581 -8.224 337 1HE LYS 46 2HE LYS 46 -8.612 4.435 -10.025 338 2HE LYS 46 3HE LYS 46 -7.357 3.678 -10.986 339 1HZ LYS 46 1HZ LYS 46 -9.034 1.872 -9.509 340 2HZ LYS 46 2HZ LYS 46 -9.779 2.685 -10.713 341 3HZ LYS 46 3HZ LYS 46 -8.474 1.760 -11.039 342 H ASP 47 HN ASP 47 -7.335 6.255 -4.361 343 HA ASP 47 HA ASP 47 -7.944 6.796 -2.339 344 1HB ASP 47 2HB ASP 47 -10.074 5.680 -3.553 345 2HB ASP 47 3HB ASP 47 -9.922 4.518 -2.251 346 H ALA 48 HN ALA 48 -5.765 4.848 -2.436 347 HA ALA 48 HA ALA 48 -5.792 3.974 0.250 348 1HB ALA 48 1HB ALA 48 -6.407 1.807 0.101 349 2HB ALA 48 2HB ALA 48 -7.096 2.226 -1.486 350 3HB ALA 48 3HB ALA 48 -5.451 1.557 -1.379 351 H CYS 49 HN CYS 49 -4.455 3.433 -3.075 352 HA CYS 49 HA CYS 49 -1.795 3.534 -1.859 353 1HB CYS 49 2HB CYS 49 -2.811 2.242 -4.384 354 2HB CYS 49 3HB CYS 49 -1.107 2.573 -4.143 355 H LYS 50 HN LYS 50 -3.180 4.208 -5.155 356 HA LYS 50 HA LYS 50 -1.512 6.121 -5.972 357 1HB LYS 50 2HB LYS 50 -4.444 5.671 -6.400 358 2HB LYS 50 3HB LYS 50 -3.722 7.133 -7.040 359 1HG LYS 50 2HG LYS 50 -2.086 4.720 -7.559 360 2HG LYS 50 3HG LYS 50 -3.684 4.625 -8.270 361 1HD LYS 50 2HD LYS 50 -2.195 7.216 -8.611 362 2HD LYS 50 3HD LYS 50 -1.605 5.838 -9.516 363 1HE LYS 50 2HE LYS 50 -3.235 6.208 -11.048 364 2HE LYS 50 3HE LYS 50 -4.422 5.757 -9.841 365 1HZ LYS 50 1HZ LYS 50 -3.337 8.469 -10.161 366 2HZ LYS 50 2HZ LYS 50 -4.780 7.968 -10.739 367 3HZ LYS 50 3HZ LYS 50 -4.521 8.022 -9.128 368 H THR 51 HN THR 51 -4.510 6.797 -4.029 369 HA THR 51 HA THR 51 -4.296 9.467 -3.726 370 HB THR 51 HB THR 51 -5.138 7.221 -1.849 371 HG1 THR 51 HG1 THR 51 -6.253 8.012 -3.911 372 1HG2 THR 51 1HG THR 51 -4.509 9.193 -0.414 373 2HG2 THR 51 2HG THR 51 -5.526 10.233 -1.439 374 3HG2 THR 51 3HG THR 51 -6.270 8.943 -0.465 375 H CYS 52 HN CYS 52 -2.988 7.328 -1.115 376 HA CYS 52 HA CYS 52 -1.176 9.449 -0.422 377 1HB CYS 52 2HB CYS 52 -2.242 8.354 1.394 378 2HB CYS 52 3HB CYS 52 -1.810 6.765 0.797 379 H HIS 53 HN HIS 53 0.609 9.642 -1.755 380 HA HIS 53 HA HIS 53 2.686 7.981 -1.744 381 1HB HIS 53 2HB HIS 53 0.587 6.817 -3.394 382 2HB HIS 53 3HB HIS 53 2.050 7.088 -4.320 383 HD1 HIS 53 HD1 HIS 53 2.583 4.554 -4.479 384 HD2 HIS 53 HD2 HIS 53 2.374 6.011 -0.552 385 HE1 HIS 53 HE1 HIS 53 3.541 2.721 -2.986 386 H LYS 54 HN LYS 54 0.569 10.155 -3.551 387 HA LYS 54 HA LYS 54 2.516 11.005 -5.416 388 1HB LYS 54 2HB LYS 54 -0.067 12.261 -4.448 389 2HB LYS 54 3HB LYS 54 0.905 12.901 -5.758 390 1HG LYS 54 2HG LYS 54 0.738 10.544 -6.833 391 2HG LYS 54 3HG LYS 54 -0.501 10.202 -5.641 392 1HD LYS 54 2HD LYS 54 -1.817 12.177 -6.444 393 2HD LYS 54 3HD LYS 54 -0.579 12.516 -7.637 394 1HE LYS 54 2HE LYS 54 -0.959 10.158 -8.568 395 2HE LYS 54 3HE LYS 54 -2.333 10.022 -7.488 396 1HZ LYS 54 1HZ LYS 54 -3.238 10.833 -9.411 397 2HZ LYS 54 2HZ LYS 54 -3.033 12.214 -8.562 398 3HZ LYS 54 3HZ LYS 54 -1.985 11.824 -9.752 399 H SER 55 HN SER 55 4.208 10.973 -3.507 400 HA SER 55 HA SER 55 4.933 13.621 -3.128 401 1HB SER 55 2HB SER 55 3.007 13.067 -1.315 402 2HB SER 55 3HB SER 55 4.373 12.415 -0.432 403 HG SER 55 HG SER 55 4.748 14.977 -1.596 404 H ASN 56 HN ASN 56 5.057 10.238 -1.881 405 HA ASN 56 HA ASN 56 7.935 10.582 -1.601 406 1HB ASN 56 2HB ASN 56 5.900 9.218 -0.001 407 2HB ASN 56 3HB ASN 56 7.108 8.059 -0.520 408 1HD2 ASN 56 1HD ASN 56 6.378 10.768 1.460 409 2HD2 ASN 56 2HD ASN 56 7.888 10.912 2.295 410 H ASN 57 HN ASN 57 5.390 8.108 -2.459 411 HA ASN 57 HA ASN 57 7.242 6.572 -3.934 412 1HB ASN 57 2HB ASN 57 4.841 6.017 -2.769 413 2HB ASN 57 3HB ASN 57 4.275 6.302 -4.403 414 1HD2 ASN 57 1HD ASN 57 6.811 4.595 -2.590 415 2HD2 ASN 57 2HD ASN 57 6.864 3.167 -3.569 416 H GLY 58 HN GLY 58 5.320 5.946 -6.172 417 1HA GLY 58 1HA GLY 58 4.686 8.298 -7.618 418 2HA GLY 58 2HA GLY 58 6.240 7.677 -8.137 419 HA PRO 59 HA PRO 59 2.940 4.389 -9.100 420 1HB PRO 59 2HB PRO 59 0.302 5.075 -8.895 421 2HB PRO 59 3HB PRO 59 1.170 4.215 -7.637 422 1HG PRO 59 2HG PRO 59 0.341 7.052 -7.711 423 2HG PRO 59 3HG PRO 59 0.815 6.082 -6.330 424 1HD PRO 59 2HD PRO 59 2.407 8.060 -7.666 425 2HD PRO 59 3HD PRO 59 2.918 7.009 -6.360 426 H THR 60 HN THR 60 2.334 3.787 -11.160 427 HA THR 60 HA THR 60 1.314 5.897 -12.858 428 HB THR 60 HB THR 60 3.960 4.529 -13.546 429 HG1 THR 60 HG1 THR 60 4.805 6.643 -12.790 430 1HG2 THR 60 1HG THR 60 2.536 7.056 -14.537 431 2HG2 THR 60 2HG THR 60 4.178 6.564 -15.018 432 3HG2 THR 60 3HG THR 60 2.780 5.560 -15.472 433 H LYS 61 HN LYS 61 -0.179 3.835 -12.058 434 HA LYS 61 HA LYS 61 -1.195 1.942 -12.649 435 1HB LYS 61 2HB LYS 61 -1.591 1.986 -15.298 436 2HB LYS 61 3HB LYS 61 -2.439 3.041 -14.185 437 1HG LYS 61 2HG LYS 61 -0.613 4.780 -14.545 438 2HG LYS 61 3HG LYS 61 0.075 3.737 -15.773 439 1HD LYS 61 2HD LYS 61 -1.344 4.648 -17.285 440 2HD LYS 61 3HD LYS 61 -2.681 3.909 -16.428 441 1HE LYS 61 2HE LYS 61 -2.716 5.928 -14.874 442 2HE LYS 61 3HE LYS 61 -1.499 6.674 -15.890 443 1HZ LYS 61 1HZ LYS 61 -3.167 6.160 -17.746 444 2HZ LYS 61 2HZ LYS 61 -4.265 6.045 -16.543 445 3HZ LYS 61 3HZ LYS 61 -3.446 7.439 -16.769 446 H CYS 62 HN CYS 62 0.030 0.171 -12.111 447 HA CYS 62 HA CYS 62 1.060 -1.734 -12.613 448 1HB CYS 62 2HB CYS 62 1.939 -0.687 -15.298 449 2HB CYS 62 3HB CYS 62 1.802 -2.352 -14.769 450 H GLY 63 HN GLY 63 2.923 0.873 -14.357 451 1HA GLY 63 1HA GLY 63 5.439 0.108 -13.428 452 2HA GLY 63 2HA GLY 63 4.994 1.685 -14.048 453 H GLY 64 HN GLY 64 2.783 1.483 -11.694 454 1HA GLY 64 1HA GLY 64 4.243 3.136 -9.887 455 2HA GLY 64 2HA GLY 64 2.600 2.551 -9.713 456 H CYS 65 HN CYS 65 2.481 0.002 -9.317 457 HA CYS 65 HA CYS 65 4.717 -0.835 -7.655 458 1HB CYS 65 2HB CYS 65 2.995 -1.650 -5.946 459 2HB CYS 65 3HB CYS 65 3.450 0.042 -5.938 460 H HIS 66 HN HIS 66 4.685 -1.933 -9.992 461 HA HIS 66 HA HIS 66 3.743 -4.570 -9.572 462 1HB HIS 66 2HB HIS 66 2.171 -2.730 -11.295 463 2HB HIS 66 3HB HIS 66 2.499 -4.318 -11.961 464 HD1 HIS 66 HD1 HIS 66 2.256 -6.019 -9.344 465 HD2 HIS 66 HD2 HIS 66 -0.451 -3.039 -10.521 466 HE1 HIS 66 HE1 HIS 66 0.052 -6.553 -8.174 467 H ILE 67 HN ILE 67 5.848 -5.268 -9.904 468 HA ILE 67 HA ILE 67 7.625 -4.256 -11.729 469 HB ILE 67 HB ILE 67 7.516 -6.333 -9.875 470 1HG1 ILE 67 2HG ILE 67 9.984 -5.966 -11.500 471 2HG1 ILE 67 3HG ILE 67 9.326 -4.535 -10.730 472 1HG2 ILE 67 1HG ILE 67 8.598 -7.488 -12.443 473 2HG2 ILE 67 2HG ILE 67 8.280 -8.300 -10.891 474 3HG2 ILE 67 3HG ILE 67 6.922 -7.768 -11.910 475 1HD1 ILE 67 1HD ILE 67 9.943 -7.160 -9.297 476 2HD1 ILE 67 2HD ILE 67 10.960 -5.700 -9.258 477 3HD1 ILE 67 3HD ILE 67 9.336 -5.673 -8.530 478 H LYS 68 HN LYS 68 8.546 -5.912 -13.584 479 HA LYS 68 HA LYS 68 6.315 -6.914 -15.147 480 1HB LYS 68 2HB LYS 68 6.968 -5.620 -17.135 481 2HB LYS 68 3HB LYS 68 6.390 -4.596 -15.836 482 1HG LYS 68 2HG LYS 68 8.980 -4.489 -15.181 483 2HG LYS 68 3HG LYS 68 9.215 -4.954 -16.854 484 1HD LYS 68 2HD LYS 68 8.018 -2.998 -17.660 485 2HD LYS 68 3HD LYS 68 7.437 -2.610 -16.053 486 1HE LYS 68 2HE LYS 68 9.233 -1.137 -16.167 487 2HE LYS 68 3HE LYS 68 10.049 -2.522 -15.471 488 1HZ LYS 68 1HZ LYS 68 10.130 -2.949 -18.149 489 2HZ LYS 68 2HZ LYS 68 10.410 -1.346 -18.008 490 3HZ LYS 68 3HZ LYS 68 11.363 -2.414 -17.221 491 HHA HEC 98 HGM HEC 98 -3.560 -6.280 7.875 492 HHB HEC 98 HDM HEC 98 -1.695 -3.561 13.176 493 HHC HEC 98 HAM HEC 98 1.235 0.880 9.740 494 HHD HEC 98 HBM HEC 98 -1.103 -1.711 4.579 495 1HMA HEC 98 1HM HEC 98 -3.094 -5.438 13.701 496 2HMA HEC 98 2HM HEC 98 -3.359 -7.061 13.023 497 3HMA HEC 98 3HM HEC 98 -1.707 -6.502 13.372 498 1HAA HEC 98 1HA HEC 98 -3.707 -8.096 11.141 499 2HAA HEC 98 2HA HEC 98 -4.486 -7.428 9.687 500 1HBA HEC 98 3HB HEC 98 -3.198 -8.968 8.533 501 2HBA HEC 98 4HB HEC 98 -1.865 -7.820 8.802 502 1HMB HEC 98 1HM HEC 98 -1.210 -0.381 14.546 503 2HMB HEC 98 2HM HEC 98 -1.335 -2.155 14.492 504 3HMB HEC 98 3HM HEC 98 0.233 -1.382 14.830 505 HAB HEC 98 HT2 HEC 98 1.465 1.421 11.671 506 1HBB HEC 98 1HT HEC 98 2.496 0.148 14.122 507 2HBB HEC 98 2HT HEC 98 2.996 -0.386 12.499 508 3HBB HEC 98 3HT HEC 98 3.241 1.306 12.993 509 1HMC HEC 98 1HM HEC 98 1.083 2.793 7.924 510 2HMC HEC 98 2HM HEC 98 2.522 1.755 8.050 511 3HMC HEC 98 3HM HEC 98 1.998 2.360 6.461 512 HAC HEC 98 HT4 HEC 98 0.188 2.042 4.796 513 1HBC HEC 98 1HT HEC 98 -1.258 -0.148 3.410 514 2HBC HEC 98 2HT HEC 98 -2.011 0.402 4.926 515 3HBC HEC 98 3HT HEC 98 -1.696 1.564 3.616 516 1HMD HEC 98 1HM HEC 98 -1.471 -3.604 2.928 517 2HMD HEC 98 2HM HEC 98 -3.091 -4.342 2.909 518 3HMD HEC 98 3HM HEC 98 -2.915 -2.588 3.157 519 1HAD HEC 98 1HA HEC 98 -4.044 -6.667 5.607 520 2HAD HEC 98 2HA HEC 98 -3.864 -5.916 4.004 521 1HBD HEC 98 3HB HEC 98 -2.505 -7.652 3.620 522 2HBD HEC 98 4HB HEC 98 -1.308 -6.677 4.506 523 HHA HEC 128 HGM HEC 128 8.145 3.864 -0.071 524 HHB HEC 128 HDM HEC 128 4.239 -0.205 -2.745 525 HHC HEC 128 HAM HEC 128 -0.467 2.168 0.768 526 HHD HEC 128 HBM HEC 128 3.479 6.451 2.982 527 1HMA HEC 128 1HM HEC 128 7.257 -1.296 -2.235 528 2HMA HEC 128 2HM HEC 128 6.227 -0.644 -3.532 529 3HMA HEC 128 3HM HEC 128 7.940 -0.173 -3.435 530 1HAA HEC 128 1HA HEC 128 9.326 2.053 -2.300 531 2HAA HEC 128 2HA HEC 128 9.359 2.381 -0.551 532 1HBA HEC 128 3HB HEC 128 9.788 0.125 0.002 533 2HBA HEC 128 4HB HEC 128 8.994 -0.493 -1.466 534 1HMB HEC 128 1HM HEC 128 0.907 -1.595 -3.000 535 2HMB HEC 128 2HM HEC 128 1.357 -0.247 -4.071 536 3HMB HEC 128 3HM HEC 128 2.622 -1.268 -3.347 537 HAB HEC 128 HT2 HEC 128 -1.358 0.935 -0.716 538 1HBB HEC 128 1HT HEC 128 -1.659 -1.771 -0.494 539 2HBB HEC 128 2HT HEC 128 -0.150 -1.382 0.364 540 3HBB HEC 128 3HT HEC 128 -1.654 -0.527 0.778 541 1HMC HEC 128 1HM HEC 128 -1.473 3.520 3.334 542 2HMC HEC 128 2HM HEC 128 -1.860 4.977 2.390 543 3HMC HEC 128 3HM HEC 128 -1.775 3.392 1.585 544 HAC HEC 128 HT4 HEC 128 1.443 6.957 3.756 545 1HBC HEC 128 1HT HEC 128 -0.836 5.405 4.373 546 2HBC HEC 128 2HT HEC 128 -0.291 6.893 5.186 547 3HBC HEC 128 3HT HEC 128 -1.465 6.987 3.852 548 1HMD HEC 128 1HM HEC 128 6.269 7.250 4.132 549 2HMD HEC 128 2HM HEC 128 6.476 8.276 2.694 550 3HMD HEC 128 3HM HEC 128 4.843 7.893 3.286 551 1HAD HEC 128 1HA HEC 128 9.022 5.428 1.311 552 2HAD HEC 128 2HA HEC 128 8.503 7.031 1.882 553 1HBD HEC 128 3HB HEC 128 9.151 6.501 3.924 554 2HBD HEC 128 4HB HEC 128 7.977 5.163 3.954 555 HHA HEC 158 HGM HEC 158 -3.212 -7.363 -7.107 556 HHB HEC 158 HDM HEC 158 -3.147 -6.059 -13.211 557 HHC HEC 158 HAM HEC 158 -1.900 -0.014 -11.798 558 HHD HEC 158 HBM HEC 158 -1.549 -1.596 -5.783 559 1HMA HEC 158 1HM HEC 158 -3.953 -7.981 -13.077 560 2HMA HEC 158 2HM HEC 158 -3.739 -9.398 -12.021 561 3HMA HEC 158 3HM HEC 158 -5.309 -8.564 -12.082 562 1HAA HEC 158 1HA HEC 158 -4.296 -8.783 -7.828 563 2HAA HEC 158 2HA HEC 158 -5.348 -9.251 -9.186 564 1HBA HEC 158 3HB HEC 158 -2.933 -9.970 -10.251 565 2HBA HEC 158 4HB HEC 158 -2.548 -10.177 -8.527 566 1HMB HEC 158 1HM HEC 158 -3.344 -4.773 -15.267 567 2HMB HEC 158 2HM HEC 158 -2.227 -3.525 -15.867 568 3HMB HEC 158 3HM HEC 158 -1.589 -4.975 -15.058 569 HAB HEC 158 HT2 HEC 158 -1.210 -0.534 -14.176 570 1HBB HEC 158 1HT HEC 158 -3.335 0.668 -15.080 571 2HBB HEC 158 2HT HEC 158 -4.069 -0.230 -13.731 572 3HBB HEC 158 3HT HEC 158 -2.689 0.852 -13.432 573 1HMC HEC 158 1HM HEC 158 -1.409 2.583 -9.325 574 2HMC HEC 158 2HM HEC 158 -0.207 1.848 -10.411 575 3HMC HEC 158 3HM HEC 158 -1.924 1.872 -10.873 576 HAC HEC 158 HT4 HEC 158 -1.193 0.881 -6.010 577 1HBC HEC 158 1HT HEC 158 0.216 2.476 -8.193 578 2HBC HEC 158 2HT HEC 158 -1.306 2.903 -7.377 579 3HBC HEC 158 3HT HEC 158 0.221 2.891 -6.463 580 1HMD HEC 158 1HM HEC 158 -2.306 -3.851 -3.080 581 2HMD HEC 158 2HM HEC 158 -0.667 -3.469 -3.658 582 3HMD HEC 158 3HM HEC 158 -1.976 -2.277 -3.843 583 1HAD HEC 158 1HA HEC 158 -3.119 -5.662 -3.443 584 2HAD HEC 158 2HA HEC 158 -4.005 -6.617 -4.655 585 1HBD HEC 158 3HB HEC 158 -1.269 -7.218 -4.992 586 2HBD HEC 158 4HB HEC 158 -1.602 -7.256 -3.243 Start of MODEL 24 1 H ALA 1 HN ALA 1 1.509 -8.254 9.624 2 HA ALA 1 HA ALA 1 2.643 -6.406 9.153 3 1HB ALA 1 1HB ALA 1 3.642 -6.471 12.027 4 2HB ALA 1 2HB ALA 1 3.654 -5.075 10.923 5 3HB ALA 1 3HB ALA 1 2.108 -5.735 11.507 6 H ASP 2 HN ASP 2 5.268 -5.567 9.801 7 HA ASP 2 HA ASP 2 7.371 -5.991 9.458 8 1HB ASP 2 2HB ASP 2 6.558 -8.272 10.847 9 2HB ASP 2 3HB ASP 2 7.280 -8.957 9.405 10 H VAL 3 HN VAL 3 5.252 -6.022 7.325 11 HA VAL 3 HA VAL 3 5.441 -6.060 5.079 12 HB VAL 3 HB VAL 3 7.988 -6.753 5.735 13 1HG1 VAL 3 1HG VAL 3 7.190 -8.948 3.833 14 2HG1 VAL 3 2HG VAL 3 8.659 -8.787 4.826 15 3HG1 VAL 3 3HG VAL 3 7.108 -9.206 5.592 16 1HG2 VAL 3 1HG VAL 3 7.832 -5.355 3.932 17 2HG2 VAL 3 2HG VAL 3 8.206 -6.870 3.076 18 3HG2 VAL 3 3HG VAL 3 6.524 -6.294 3.172 19 H VAL 4 HN VAL 4 4.345 -7.350 3.505 20 HA VAL 4 HA VAL 4 3.798 -10.101 4.153 21 HB VAL 4 HB VAL 4 1.659 -7.970 4.263 22 1HG1 VAL 4 1HG VAL 4 0.352 -9.501 3.245 23 2HG1 VAL 4 2HG VAL 4 1.498 -10.829 3.544 24 3HG1 VAL 4 3HG VAL 4 0.372 -10.320 4.825 25 1HG2 VAL 4 1HG VAL 4 2.656 -8.161 6.393 26 2HG2 VAL 4 2HG VAL 4 1.190 -9.168 6.481 27 3HG2 VAL 4 3HG VAL 4 2.785 -9.933 6.271 28 H THR 5 HN THR 5 5.282 -9.416 2.076 29 HA THR 5 HA THR 5 4.239 -8.425 -0.219 30 HB THR 5 HB THR 5 6.152 -10.729 0.368 31 HG1 THR 5 HG1 THR 5 7.247 -8.823 0.676 32 1HG2 THR 5 1HG THR 5 5.398 -9.452 -2.308 33 2HG2 THR 5 2HG THR 5 6.951 -10.276 -2.034 34 3HG2 THR 5 3HG THR 5 5.428 -11.188 -1.913 35 H TYR 6 HN TYR 6 3.414 -9.467 -2.209 36 HA TYR 6 HA TYR 6 1.755 -11.809 -1.621 37 1HB TYR 6 2HB TYR 6 1.064 -8.987 -2.537 38 2HB TYR 6 3HB TYR 6 0.125 -10.300 -3.218 39 HD1 TYR 6 HD1 TYR 6 -0.836 -12.022 -1.408 40 HD2 TYR 6 HD2 TYR 6 0.300 -7.980 -0.587 41 HE1 TYR 6 HE1 TYR 6 -2.327 -12.014 0.651 42 HE2 TYR 6 HE2 TYR 6 -1.196 -7.985 1.469 43 HH TYR 6 HH TYR 6 -2.226 -10.589 2.940 44 H GLU 7 HN GLU 7 2.531 -13.328 -3.010 45 HA GLU 7 HA GLU 7 3.888 -12.676 -5.338 46 1HB GLU 7 2HB GLU 7 2.754 -15.177 -4.122 47 2HB GLU 7 3HB GLU 7 3.184 -15.242 -5.820 48 1HG GLU 7 2HG GLU 7 5.407 -13.980 -4.808 49 2HG GLU 7 3HG GLU 7 4.948 -14.952 -3.423 50 H ASN 8 HN ASN 8 3.274 -12.611 -7.536 51 HA ASN 8 HA ASN 8 0.516 -13.168 -8.136 52 1HB ASN 8 2HB ASN 8 1.817 -10.422 -8.363 53 2HB ASN 8 3HB ASN 8 0.520 -10.868 -9.454 54 1HD2 ASN 8 1HD ASN 8 1.268 -9.460 -6.569 55 2HD2 ASN 8 2HD ASN 8 -0.255 -9.549 -5.748 56 H LYS 9 HN LYS 9 0.379 -12.299 -10.760 57 HA LYS 9 HA LYS 9 2.764 -13.504 -11.980 58 1HB LYS 9 2HB LYS 9 1.246 -14.206 -13.811 59 2HB LYS 9 3HB LYS 9 0.863 -14.944 -12.269 60 1HG LYS 9 2HG LYS 9 -1.208 -14.005 -12.232 61 2HG LYS 9 3HG LYS 9 -0.566 -12.407 -12.558 62 1HD LYS 9 2HD LYS 9 -0.905 -12.576 -14.841 63 2HD LYS 9 3HD LYS 9 -0.542 -14.290 -14.881 64 1HE LYS 9 2HE LYS 9 -3.112 -13.140 -13.697 65 2HE LYS 9 3HE LYS 9 -2.979 -13.707 -15.350 66 1HZ LYS 9 1HZ LYS 9 -1.957 -15.730 -13.883 67 2HZ LYS 9 2HZ LYS 9 -3.204 -15.212 -12.963 68 3HZ LYS 9 3HZ LYS 9 -3.466 -15.674 -14.507 69 H LYS 10 HN LYS 10 1.283 -10.591 -11.324 70 HA LYS 10 HA LYS 10 2.489 -9.420 -13.721 71 1HB LYS 10 2HB LYS 10 -0.142 -9.652 -13.688 72 2HB LYS 10 3HB LYS 10 -0.053 -8.262 -12.625 73 1HG LYS 10 2HG LYS 10 -0.002 -7.043 -14.559 74 2HG LYS 10 3HG LYS 10 1.694 -7.482 -14.607 75 1HD LYS 10 2HD LYS 10 0.037 -9.636 -15.707 76 2HD LYS 10 3HD LYS 10 -0.292 -8.124 -16.528 77 1HE LYS 10 2HE LYS 10 2.590 -8.894 -16.028 78 2HE LYS 10 3HE LYS 10 1.719 -9.709 -17.312 79 1HZ LYS 10 1HZ LYS 10 2.782 -7.140 -17.319 80 2HZ LYS 10 2HZ LYS 10 2.052 -7.935 -18.544 81 3HZ LYS 10 3HZ LYS 10 1.167 -7.013 -17.527 82 H GLY 11 HN GLY 11 4.293 -9.288 -12.086 83 1HA GLY 11 1HA GLY 11 5.584 -7.924 -10.838 84 2HA GLY 11 2HA GLY 11 4.362 -6.675 -10.969 85 H ASN 12 HN ASN 12 5.703 -9.238 -8.988 86 HA ASN 12 HA ASN 12 3.653 -9.680 -7.243 87 1HB ASN 12 2HB ASN 12 6.654 -9.498 -6.643 88 2HB ASN 12 3HB ASN 12 5.477 -10.270 -5.597 89 1HD2 ASN 12 1HD ASN 12 6.611 -12.215 -5.782 90 2HD2 ASN 12 2HD ASN 12 6.488 -13.236 -7.176 91 H VAL 13 HN VAL 13 2.615 -8.294 -5.797 92 HA VAL 13 HA VAL 13 3.722 -5.664 -5.395 93 HB VAL 13 HB VAL 13 1.353 -6.022 -5.903 94 1HG1 VAL 13 1HG VAL 13 0.730 -7.023 -3.173 95 2HG1 VAL 13 2HG VAL 13 -0.069 -7.349 -4.730 96 3HG1 VAL 13 3HG VAL 13 1.438 -8.197 -4.309 97 1HG2 VAL 13 1HG VAL 13 2.126 -4.043 -4.591 98 2HG2 VAL 13 2HG VAL 13 0.439 -4.505 -4.260 99 3HG2 VAL 13 3HG VAL 13 1.720 -4.923 -3.097 100 H THR 14 HN THR 14 5.619 -6.018 -4.152 101 HA THR 14 HA THR 14 5.468 -7.542 -1.727 102 HB THR 14 HB THR 14 7.538 -5.818 -3.152 103 HG1 THR 14 HG1 THR 14 7.043 -8.061 -3.798 104 1HG2 THR 14 1HG THR 14 9.052 -5.999 -1.399 105 2HG2 THR 14 2HG THR 14 7.569 -5.945 -0.416 106 3HG2 THR 14 3HG THR 14 8.325 -7.510 -0.802 107 H PHE 15 HN PHE 15 3.695 -6.580 -0.598 108 HA PHE 15 HA PHE 15 3.393 -3.930 -0.045 109 1HB PHE 15 2HB PHE 15 2.830 -6.587 1.297 110 2HB PHE 15 3HB PHE 15 2.599 -5.161 2.289 111 HD1 PHE 15 HD1 PHE 15 0.417 -4.469 2.423 112 HD2 PHE 15 HD2 PHE 15 1.783 -6.138 -1.232 113 HE1 PHE 15 HE1 PHE 15 -1.861 -4.141 1.421 114 HE2 PHE 15 HE2 PHE 15 -0.495 -5.810 -2.233 115 HZ PHE 15 HZ PHE 15 -2.289 -4.815 -0.895 116 H ASP 16 HN ASP 16 3.508 -3.210 2.525 117 HA ASP 16 HA ASP 16 6.022 -3.945 3.657 118 1HB ASP 16 2HB ASP 16 5.538 -1.026 2.914 119 2HB ASP 16 3HB ASP 16 6.983 -1.695 3.647 120 H HIS 17 HN HIS 17 5.781 -3.784 5.913 121 HA HIS 17 HA HIS 17 3.542 -2.135 6.839 122 1HB HIS 17 2HB HIS 17 3.812 -4.875 7.049 123 2HB HIS 17 3HB HIS 17 4.407 -4.323 8.602 124 HD1 HIS 17 HD1 HIS 17 1.430 -5.552 7.317 125 HD2 HIS 17 HD2 HIS 17 2.325 -2.072 9.482 126 HE1 HIS 17 HE1 HIS 17 -0.757 -4.797 8.393 127 H LYS 18 HN LYS 18 6.667 -3.645 7.934 128 HA LYS 18 HA LYS 18 7.002 -1.730 9.994 129 1HB LYS 18 2HB LYS 18 8.130 -4.197 9.256 130 2HB LYS 18 3HB LYS 18 9.450 -3.051 9.162 131 1HG LYS 18 2HG LYS 18 8.770 -2.201 11.476 132 2HG LYS 18 3HG LYS 18 7.620 -3.521 11.559 133 1HD LYS 18 2HD LYS 18 9.360 -4.680 12.497 134 2HD LYS 18 3HD LYS 18 9.876 -4.907 10.838 135 1HE LYS 18 2HE LYS 18 11.833 -4.019 11.735 136 2HE LYS 18 3HE LYS 18 11.061 -2.540 11.200 137 1HZ LYS 18 1HZ LYS 18 10.182 -3.258 13.777 138 2HZ LYS 18 2HZ LYS 18 11.810 -3.149 13.742 139 3HZ LYS 18 3HZ LYS 18 10.896 -1.876 13.280 140 H ALA 19 HN ALA 19 8.263 -2.116 6.638 141 HA ALA 19 HA ALA 19 9.980 0.122 6.800 142 1HB ALA 19 1HB ALA 19 10.038 -0.148 4.316 143 2HB ALA 19 2HB ALA 19 10.319 -1.676 5.185 144 3HB ALA 19 3HB ALA 19 8.732 -1.352 4.445 145 H HIS 20 HN HIS 20 6.524 -0.356 6.159 146 HA HIS 20 HA HIS 20 6.210 2.253 5.028 147 1HB HIS 20 2HB HIS 20 4.521 -0.116 5.561 148 2HB HIS 20 3HB HIS 20 3.689 1.422 5.676 149 HD1 HIS 20 HD1 HIS 20 3.004 -0.562 3.406 150 HD2 HIS 20 HD2 HIS 20 5.800 2.545 3.043 151 HE1 HIS 20 HE1 HIS 20 3.197 -0.061 0.912 152 H ALA 21 HN ALA 21 5.191 0.618 8.112 153 HA ALA 21 HA ALA 21 4.065 2.760 9.357 154 1HB ALA 21 1HB ALA 21 4.289 1.504 11.324 155 2HB ALA 21 2HB ALA 21 4.392 0.259 10.056 156 3HB ALA 21 3HB ALA 21 5.874 0.851 10.845 157 H GLU 22 HN GLU 22 7.494 2.098 8.694 158 HA GLU 22 HA GLU 22 8.706 3.661 10.528 159 1HB GLU 22 2HB GLU 22 9.330 3.040 7.634 160 2HB GLU 22 3HB GLU 22 10.372 4.130 8.526 161 1HG GLU 22 2HG GLU 22 9.678 1.631 9.990 162 2HG GLU 22 3HG GLU 22 10.607 1.373 8.526 163 H LYS 23 HN LYS 23 7.612 4.746 7.228 164 HA LYS 23 HA LYS 23 7.887 7.499 8.111 165 1HB LYS 23 2HB LYS 23 6.972 6.645 5.375 166 2HB LYS 23 3HB LYS 23 7.836 8.091 5.854 167 1HG LYS 23 2HG LYS 23 9.012 5.276 6.019 168 2HG LYS 23 3HG LYS 23 9.268 6.361 4.667 169 1HD LYS 23 2HD LYS 23 9.872 7.359 7.457 170 2HD LYS 23 3HD LYS 23 11.005 6.260 6.698 171 1HE LYS 23 2HE LYS 23 11.557 7.781 4.987 172 2HE LYS 23 3HE LYS 23 10.026 8.625 5.093 173 1HZ LYS 23 1HZ LYS 23 10.894 9.212 7.434 174 2HZ LYS 23 2HZ LYS 23 12.363 8.883 6.799 175 3HZ LYS 23 3HZ LYS 23 11.430 10.050 6.140 176 H LEU 24 HN LEU 24 5.441 5.015 7.421 177 HA LEU 24 HA LEU 24 3.261 6.802 7.258 178 1HB LEU 24 2HB LEU 24 3.413 3.852 7.888 179 2HB LEU 24 3HB LEU 24 1.923 4.735 7.620 180 HG LEU 24 HG LEU 24 3.379 3.389 5.712 181 1HD1 LEU 24 1HD LEU 24 0.972 4.073 5.701 182 2HD1 LEU 24 2HD LEU 24 1.486 5.685 5.148 183 3HD1 LEU 24 3HD LEU 24 1.801 4.254 4.136 184 1HD2 LEU 24 1HD LEU 24 4.056 6.329 5.529 185 2HD2 LEU 24 2HD LEU 24 5.163 4.936 5.551 186 3HD2 LEU 24 3HD LEU 24 4.122 5.224 4.135 187 H GLY 25 HN GLY 25 2.802 4.330 9.670 188 1HA GLY 25 1HA GLY 25 3.389 4.869 12.049 189 2HA GLY 25 2HA GLY 25 2.673 6.438 11.739 190 H CYS 26 HN CYS 26 1.481 3.338 10.365 191 HA CYS 26 HA CYS 26 -0.384 2.214 10.644 192 1HB CYS 26 2HB CYS 26 -1.232 3.379 13.214 193 2HB CYS 26 3HB CYS 26 -1.092 1.704 12.717 194 H ASP 27 HN ASP 27 -1.193 5.251 12.481 195 HA ASP 27 HA ASP 27 -3.656 5.634 11.593 196 1HB ASP 27 2HB ASP 27 -1.628 7.220 12.804 197 2HB ASP 27 3HB ASP 27 -2.221 8.183 11.465 198 H ALA 28 HN ALA 28 -0.634 5.967 9.780 199 HA ALA 28 HA ALA 28 -1.503 7.655 7.730 200 1HB ALA 28 1HB ALA 28 0.666 7.411 7.203 201 2HB ALA 28 2HB ALA 28 0.811 6.154 8.455 202 3HB ALA 28 3HB ALA 28 0.393 5.702 6.786 203 H CYS 29 HN CYS 29 -1.740 4.104 8.253 204 HA CYS 29 HA CYS 29 -3.213 3.928 5.738 205 1HB CYS 29 2HB CYS 29 -1.912 1.804 7.449 206 2HB CYS 29 3HB CYS 29 -2.946 1.448 6.080 207 H HIS 30 HN HIS 30 -3.256 2.864 9.218 208 HA HIS 30 HA HIS 30 -6.122 2.451 8.983 209 1HB HIS 30 2HB HIS 30 -4.371 1.867 11.376 210 2HB HIS 30 3HB HIS 30 -5.972 1.242 11.034 211 HD1 HIS 30 HD1 HIS 30 -5.978 -1.086 10.147 212 HD2 HIS 30 HD2 HIS 30 -2.443 0.953 9.176 213 HE1 HIS 30 HE1 HIS 30 -4.503 -2.762 8.911 214 H GLU 31 HN GLU 31 -6.385 2.929 11.975 215 HA GLU 31 HA GLU 31 -5.785 5.687 12.286 216 1HB GLU 31 2HB GLU 31 -8.057 6.538 12.387 217 2HB GLU 31 3HB GLU 31 -7.832 5.765 10.831 218 1HG GLU 31 2HG GLU 31 -9.361 4.116 11.281 219 2HG GLU 31 3HG GLU 31 -8.793 3.900 12.925 220 H GLY 32 HN GLY 32 -8.297 5.803 14.153 221 1HA GLY 32 1HA GLY 32 -7.032 5.122 16.532 222 2HA GLY 32 2HA GLY 32 -8.750 5.393 16.316 223 H THR 33 HN THR 33 -6.175 2.990 16.576 224 HA THR 33 HA THR 33 -6.232 0.816 17.054 225 HB THR 33 HB THR 33 -9.263 1.130 17.344 226 HG1 THR 33 HG1 THR 33 -7.816 2.734 18.493 227 1HG2 THR 33 1HG THR 33 -7.208 -0.622 18.794 228 2HG2 THR 33 2HG THR 33 -8.958 -0.579 19.117 229 3HG2 THR 33 3HG THR 33 -8.355 -1.212 17.566 230 HA PRO 34 HA PRO 34 -7.045 -0.420 12.931 231 1HB PRO 34 2HB PRO 34 -4.951 -2.164 12.725 232 2HB PRO 34 3HB PRO 34 -4.818 -0.460 12.344 233 1HG PRO 34 2HG PRO 34 -3.826 -1.909 14.721 234 2HG PRO 34 3HG PRO 34 -3.352 -0.332 14.119 235 1HD PRO 34 2HD PRO 34 -5.069 -0.869 16.353 236 2HD PRO 34 3HD PRO 34 -4.687 0.702 15.678 237 H ALA 35 HN ALA 35 -6.551 -3.007 12.023 238 HA ALA 35 HA ALA 35 -7.411 -4.972 13.761 239 1HB ALA 35 1HB ALA 35 -9.527 -4.082 14.112 240 2HB ALA 35 2HB ALA 35 -9.606 -3.350 12.492 241 3HB ALA 35 3HB ALA 35 -9.830 -5.104 12.688 242 H LYS 36 HN LYS 36 -8.187 -3.746 10.425 243 HA LYS 36 HA LYS 36 -6.426 -5.486 9.160 244 1HB LYS 36 2HB LYS 36 -7.640 -7.324 8.498 245 2HB LYS 36 3HB LYS 36 -8.232 -7.101 10.131 246 1HG LYS 36 2HG LYS 36 -10.324 -7.034 9.249 247 2HG LYS 36 3HG LYS 36 -9.920 -5.446 8.626 248 1HD LYS 36 2HD LYS 36 -10.664 -6.681 6.720 249 2HD LYS 36 3HD LYS 36 -8.918 -6.632 6.571 250 1HE LYS 36 2HE LYS 36 -8.686 -8.904 7.388 251 2HE LYS 36 3HE LYS 36 -10.354 -8.956 7.926 252 1HZ LYS 36 1HZ LYS 36 -10.926 -8.588 5.524 253 2HZ LYS 36 2HZ LYS 36 -9.368 -8.925 5.170 254 3HZ LYS 36 3HZ LYS 36 -10.302 -10.051 5.897 255 H ILE 37 HN ILE 37 -6.798 -5.457 6.723 256 HA ILE 37 HA ILE 37 -8.370 -3.077 6.017 257 HB ILE 37 HB ILE 37 -5.681 -3.880 4.899 258 1HG1 ILE 37 2HG ILE 37 -6.470 -1.852 6.990 259 2HG1 ILE 37 3HG ILE 37 -5.253 -3.110 7.088 260 1HG2 ILE 37 1HG ILE 37 -7.379 -1.419 4.395 261 2HG2 ILE 37 2HG ILE 37 -5.757 -1.739 3.732 262 3HG2 ILE 37 3HG ILE 37 -7.130 -2.771 3.263 263 1HD1 ILE 37 1HD ILE 37 -4.209 -1.802 4.992 264 2HD1 ILE 37 2HD ILE 37 -5.130 -0.448 5.687 265 3HD1 ILE 37 3HD ILE 37 -3.891 -1.274 6.662 266 H ALA 38 HN ALA 38 -9.157 -3.063 3.757 267 HA ALA 38 HA ALA 38 -9.728 -5.812 2.920 268 1HB ALA 38 1HB ALA 38 -11.831 -5.061 2.696 269 2HB ALA 38 2HB ALA 38 -11.311 -3.465 3.289 270 3HB ALA 38 3HB ALA 38 -11.285 -3.819 1.545 271 H ILE 39 HN ILE 39 -7.952 -6.377 1.654 272 HA ILE 39 HA ILE 39 -7.583 -4.681 -0.713 273 HB ILE 39 HB ILE 39 -5.456 -6.044 0.939 274 1HG1 ILE 39 2HG ILE 39 -6.472 -3.782 1.663 275 2HG1 ILE 39 3HG ILE 39 -4.729 -3.945 1.598 276 1HG2 ILE 39 1HG ILE 39 -5.506 -5.382 -1.880 277 2HG2 ILE 39 2HG ILE 39 -4.244 -4.462 -1.026 278 3HG2 ILE 39 3HG ILE 39 -4.270 -6.240 -0.929 279 1HD1 ILE 39 1HD ILE 39 -6.167 -2.992 -0.879 280 2HD1 ILE 39 2HD ILE 39 -5.930 -1.857 0.472 281 3HD1 ILE 39 3HD ILE 39 -4.522 -2.612 -0.313 282 H ASP 40 HN ASP 40 -7.215 -5.798 -2.687 283 HA ASP 40 HA ASP 40 -7.000 -8.614 -2.663 284 1HB ASP 40 2HB ASP 40 -9.366 -8.638 -2.282 285 2HB ASP 40 3HB ASP 40 -9.638 -7.274 -3.349 286 H LYS 41 HN LYS 41 -8.507 -5.974 -4.691 287 HA LYS 41 HA LYS 41 -6.365 -5.594 -6.378 288 1HB LYS 41 2HB LYS 41 -6.515 -7.865 -7.121 289 2HB LYS 41 3HB LYS 41 -8.248 -7.755 -7.347 290 1HG LYS 41 2HG LYS 41 -6.860 -5.646 -8.844 291 2HG LYS 41 3HG LYS 41 -6.250 -7.230 -9.280 292 1HD LYS 41 2HD LYS 41 -9.036 -7.609 -9.165 293 2HD LYS 41 3HD LYS 41 -8.870 -6.011 -9.864 294 1HE LYS 41 2HE LYS 41 -7.441 -6.854 -11.655 295 2HE LYS 41 3HE LYS 41 -7.304 -8.423 -10.885 296 1HZ LYS 41 1HZ LYS 41 -9.787 -8.525 -11.119 297 2HZ LYS 41 2HZ LYS 41 -9.678 -7.244 -12.126 298 3HZ LYS 41 3HZ LYS 41 -8.930 -8.646 -12.504 299 H LYS 42 HN LYS 42 -8.350 -4.106 -4.973 300 HA LYS 42 HA LYS 42 -9.373 -2.594 -7.201 301 1HB LYS 42 2HB LYS 42 -11.062 -4.502 -6.145 302 2HB LYS 42 3HB LYS 42 -11.503 -3.075 -5.230 303 1HG LYS 42 2HG LYS 42 -11.659 -1.805 -7.445 304 2HG LYS 42 3HG LYS 42 -11.423 -3.332 -8.271 305 1HD LYS 42 2HD LYS 42 -13.449 -3.981 -6.491 306 2HD LYS 42 3HD LYS 42 -13.824 -2.305 -6.845 307 1HE LYS 42 2HE LYS 42 -14.593 -2.838 -8.917 308 2HE LYS 42 3HE LYS 42 -13.110 -3.683 -9.314 309 1HZ LYS 42 1HZ LYS 42 -13.947 -5.613 -8.200 310 2HZ LYS 42 2HZ LYS 42 -15.301 -4.832 -7.727 311 3HZ LYS 42 3HZ LYS 42 -15.039 -5.127 -9.312 312 H SER 43 HN SER 43 -9.980 -2.899 -3.628 313 HA SER 43 HA SER 43 -10.055 -0.237 -3.136 314 1HB SER 43 2HB SER 43 -10.411 -2.385 -1.608 315 2HB SER 43 3HB SER 43 -8.749 -2.088 -1.137 316 HG SER 43 HG SER 43 -10.066 0.290 -1.069 317 H ALA 44 HN ALA 44 -7.184 -2.460 -2.927 318 HA ALA 44 HA ALA 44 -5.329 -0.564 -2.155 319 1HB ALA 44 1HB ALA 44 -4.278 -2.569 -4.013 320 2HB ALA 44 2HB ALA 44 -3.966 -2.356 -2.274 321 3HB ALA 44 3HB ALA 44 -5.387 -3.279 -2.815 322 H HIS 45 HN HIS 45 -7.079 -0.912 -5.141 323 HA HIS 45 HA HIS 45 -5.091 0.699 -6.541 324 1HB HIS 45 2HB HIS 45 -7.221 -1.211 -7.360 325 2HB HIS 45 3HB HIS 45 -6.948 0.156 -8.423 326 HD1 HIS 45 HD1 HIS 45 -4.995 0.001 -10.016 327 HD2 HIS 45 HD2 HIS 45 -4.786 -2.829 -6.926 328 HE1 HIS 45 HE1 HIS 45 -3.036 -1.532 -10.583 329 H LYS 46 HN LYS 46 -7.455 1.265 -4.393 330 HA LYS 46 HA LYS 46 -8.429 3.612 -5.871 331 1HB LYS 46 2HB LYS 46 -9.872 1.542 -4.373 332 2HB LYS 46 3HB LYS 46 -10.267 3.167 -3.851 333 1HG LYS 46 2HG LYS 46 -10.186 3.344 -6.672 334 2HG LYS 46 3HG LYS 46 -10.960 1.802 -6.359 335 1HD LYS 46 2HD LYS 46 -12.534 2.981 -4.751 336 2HD LYS 46 3HD LYS 46 -11.811 4.506 -5.222 337 1HE LYS 46 2HE LYS 46 -12.691 4.410 -7.413 338 2HE LYS 46 3HE LYS 46 -12.854 2.666 -7.385 339 1HZ LYS 46 1HZ LYS 46 -14.461 4.500 -5.746 340 2HZ LYS 46 2HZ LYS 46 -14.961 3.822 -7.145 341 3HZ LYS 46 3HZ LYS 46 -14.651 2.882 -5.847 342 H ASP 47 HN ASP 47 -9.576 4.926 -3.624 343 HA ASP 47 HA ASP 47 -7.677 6.494 -2.760 344 1HB ASP 47 2HB ASP 47 -10.104 5.390 -1.332 345 2HB ASP 47 3HB ASP 47 -9.035 6.467 -0.454 346 H ALA 48 HN ALA 48 -8.352 3.173 -1.603 347 HA ALA 48 HA ALA 48 -7.128 2.956 0.754 348 1HB ALA 48 1HB ALA 48 -6.355 0.969 -1.365 349 2HB ALA 48 2HB ALA 48 -6.966 0.695 0.283 350 3HB ALA 48 3HB ALA 48 -8.082 1.202 -1.006 351 H CYS 49 HN CYS 49 -5.470 3.212 -2.447 352 HA CYS 49 HA CYS 49 -3.040 3.853 -0.942 353 1HB CYS 49 2HB CYS 49 -3.323 2.143 -3.411 354 2HB CYS 49 3HB CYS 49 -1.803 2.883 -2.950 355 H LYS 50 HN LYS 50 -2.952 3.816 -4.433 356 HA LYS 50 HA LYS 50 -2.256 5.651 -5.639 357 1HB LYS 50 2HB LYS 50 -5.256 5.888 -5.271 358 2HB LYS 50 3HB LYS 50 -4.347 6.698 -6.531 359 1HG LYS 50 2HG LYS 50 -3.616 3.876 -6.457 360 2HG LYS 50 3HG LYS 50 -5.358 4.028 -6.557 361 1HD LYS 50 2HD LYS 50 -3.818 5.858 -8.350 362 2HD LYS 50 3HD LYS 50 -3.672 4.153 -8.726 363 1HE LYS 50 2HE LYS 50 -5.586 4.684 -9.955 364 2HE LYS 50 3HE LYS 50 -6.320 4.152 -8.457 365 1HZ LYS 50 1HZ LYS 50 -6.433 6.672 -9.629 366 2HZ LYS 50 2HZ LYS 50 -7.198 6.146 -8.285 367 3HZ LYS 50 3HZ LYS 50 -5.719 6.829 -8.168 368 H THR 51 HN THR 51 -4.931 7.501 -4.225 369 HA THR 51 HA THR 51 -3.826 9.866 -3.965 370 HB THR 51 HB THR 51 -6.068 9.613 -3.212 371 HG1 THR 51 HG1 THR 51 -5.814 10.281 -0.886 372 1HG2 THR 51 1HG THR 51 -5.620 7.120 -2.468 373 2HG2 THR 51 2HG THR 51 -5.197 7.841 -0.898 374 3HG2 THR 51 3HG THR 51 -6.830 8.066 -1.568 375 H CYS 52 HN CYS 52 -3.396 7.372 -1.362 376 HA CYS 52 HA CYS 52 -1.337 9.020 -0.210 377 1HB CYS 52 2HB CYS 52 -3.072 7.665 1.082 378 2HB CYS 52 3HB CYS 52 -2.143 6.243 0.650 379 H HIS 53 HN HIS 53 0.072 8.948 -2.178 380 HA HIS 53 HA HIS 53 2.165 7.242 -1.935 381 1HB HIS 53 2HB HIS 53 -0.004 5.813 -3.012 382 2HB HIS 53 3HB HIS 53 1.042 6.144 -4.378 383 HD1 HIS 53 HD1 HIS 53 3.601 5.288 -4.137 384 HD2 HIS 53 HD2 HIS 53 0.871 3.806 -1.319 385 HE1 HIS 53 HE1 HIS 53 4.707 3.249 -3.074 386 H LYS 54 HN LYS 54 -0.011 9.045 -4.128 387 HA LYS 54 HA LYS 54 2.035 9.656 -6.002 388 1HB LYS 54 2HB LYS 54 -0.777 10.624 -5.510 389 2HB LYS 54 3HB LYS 54 0.255 11.429 -6.674 390 1HG LYS 54 2HG LYS 54 0.695 9.091 -7.695 391 2HG LYS 54 3HG LYS 54 -0.611 8.506 -6.683 392 1HD LYS 54 2HD LYS 54 -1.775 9.027 -8.645 393 2HD LYS 54 3HD LYS 54 -1.986 10.510 -7.734 394 1HE LYS 54 2HE LYS 54 0.454 10.939 -9.034 395 2HE LYS 54 3HE LYS 54 -0.459 10.038 -10.227 396 1HZ LYS 54 1HZ LYS 54 -0.717 12.573 -10.055 397 2HZ LYS 54 2HZ LYS 54 -2.038 11.657 -10.338 398 3HZ LYS 54 3HZ LYS 54 -1.756 12.241 -8.840 399 H SER 55 HN SER 55 3.602 10.178 -4.117 400 HA SER 55 HA SER 55 3.601 13.049 -3.917 401 1HB SER 55 2HB SER 55 2.799 11.417 -1.718 402 2HB SER 55 3HB SER 55 4.420 11.968 -1.344 403 HG SER 55 HG SER 55 3.256 14.141 -2.273 404 H ASN 56 HN ASN 56 5.258 10.030 -2.720 405 HA ASN 56 HA ASN 56 7.766 11.295 -3.472 406 1HB ASN 56 2HB ASN 56 6.936 9.717 -1.203 407 2HB ASN 56 3HB ASN 56 8.115 8.763 -2.080 408 1HD2 ASN 56 1HD ASN 56 7.484 11.942 -0.675 409 2HD2 ASN 56 2HD ASN 56 9.124 12.365 -0.309 410 H ASN 57 HN ASN 57 6.639 7.849 -3.101 411 HA ASN 57 HA ASN 57 8.193 6.686 -4.897 412 1HB ASN 57 2HB ASN 57 5.296 6.194 -4.132 413 2HB ASN 57 3HB ASN 57 6.017 5.194 -5.377 414 1HD2 ASN 57 1HD ASN 57 6.180 6.223 -2.033 415 2HD2 ASN 57 2HD ASN 57 7.126 4.909 -1.418 416 H GLY 58 HN GLY 58 4.989 8.283 -5.537 417 1HA GLY 58 1HA GLY 58 4.168 9.263 -7.394 418 2HA GLY 58 2HA GLY 58 5.761 9.180 -8.118 419 HA PRO 59 HA PRO 59 3.738 5.035 -9.145 420 1HB PRO 59 2HB PRO 59 1.329 4.334 -8.060 421 2HB PRO 59 3HB PRO 59 2.866 3.846 -7.376 422 1HG PRO 59 2HG PRO 59 0.985 5.917 -6.420 423 2HG PRO 59 3HG PRO 59 2.284 5.126 -5.548 424 1HD PRO 59 2HD PRO 59 2.316 7.778 -6.641 425 2HD PRO 59 3HD PRO 59 3.653 6.945 -5.872 426 H THR 60 HN THR 60 1.066 4.235 -9.822 427 HA THR 60 HA THR 60 -0.468 4.634 -11.382 428 HB THR 60 HB THR 60 0.178 7.500 -10.549 429 HG1 THR 60 HG1 THR 60 -1.968 7.079 -9.570 430 1HG2 THR 60 1HG THR 60 -0.829 8.002 -12.612 431 2HG2 THR 60 2HG THR 60 -1.683 6.443 -12.686 432 3HG2 THR 60 3HG THR 60 -2.280 7.736 -11.618 433 H LYS 61 HN LYS 61 2.381 4.199 -12.021 434 HA LYS 61 HA LYS 61 2.180 5.063 -14.781 435 1HB LYS 61 2HB LYS 61 4.336 6.068 -14.886 436 2HB LYS 61 3HB LYS 61 3.461 6.847 -13.582 437 1HG LYS 61 2HG LYS 61 4.596 5.153 -11.989 438 2HG LYS 61 3HG LYS 61 5.627 4.717 -13.337 439 1HD LYS 61 2HD LYS 61 6.154 7.258 -13.542 440 2HD LYS 61 3HD LYS 61 5.405 7.427 -11.968 441 1HE LYS 61 2HE LYS 61 7.259 6.637 -10.918 442 2HE LYS 61 3HE LYS 61 7.279 5.195 -11.915 443 1HZ LYS 61 1HZ LYS 61 8.336 7.808 -12.750 444 2HZ LYS 61 2HZ LYS 61 9.242 6.560 -12.210 445 3HZ LYS 61 3HZ LYS 61 8.415 6.422 -13.612 446 H CYS 62 HN CYS 62 1.936 2.568 -13.035 447 HA CYS 62 HA CYS 62 2.581 0.467 -13.034 448 1HB CYS 62 2HB CYS 62 2.825 1.343 -15.836 449 2HB CYS 62 3HB CYS 62 3.718 -0.117 -15.455 450 H GLY 63 HN GLY 63 4.482 2.510 -12.046 451 1HA GLY 63 1HA GLY 63 6.904 0.882 -12.159 452 2HA GLY 63 2HA GLY 63 7.032 2.537 -12.720 453 H GLY 64 HN GLY 64 4.610 1.907 -10.257 454 1HA GLY 64 1HA GLY 64 6.230 3.413 -8.330 455 2HA GLY 64 2HA GLY 64 4.493 3.179 -8.301 456 H CYS 65 HN CYS 65 3.775 0.741 -8.105 457 HA CYS 65 HA CYS 65 5.332 -0.333 -5.900 458 1HB CYS 65 2HB CYS 65 2.789 -1.633 -6.626 459 2HB CYS 65 3HB CYS 65 3.424 -1.178 -5.058 460 H HIS 66 HN HIS 66 3.404 -1.697 -8.679 461 HA HIS 66 HA HIS 66 4.549 -4.137 -8.779 462 1HB HIS 66 2HB HIS 66 3.444 -2.348 -10.938 463 2HB HIS 66 3HB HIS 66 4.054 -3.947 -11.320 464 HD1 HIS 66 HD1 HIS 66 2.854 -5.985 -9.888 465 HD2 HIS 66 HD2 HIS 66 0.838 -2.311 -10.077 466 HE1 HIS 66 HE1 HIS 66 0.429 -6.467 -9.257 467 H ILE 67 HN ILE 67 6.303 -5.123 -9.946 468 HA ILE 67 HA ILE 67 8.441 -3.199 -10.537 469 HB ILE 67 HB ILE 67 8.517 -6.012 -9.456 470 1HG1 ILE 67 2HG ILE 67 9.685 -3.485 -8.277 471 2HG1 ILE 67 3HG ILE 67 8.050 -4.012 -7.935 472 1HG2 ILE 67 1HG ILE 67 10.296 -6.010 -10.984 473 2HG2 ILE 67 2HG ILE 67 10.729 -4.323 -10.620 474 3HG2 ILE 67 3HG ILE 67 11.040 -5.601 -9.419 475 1HD1 ILE 67 1HD ILE 67 10.236 -4.799 -6.487 476 2HD1 ILE 67 2HD ILE 67 8.740 -5.755 -6.610 477 3HD1 ILE 67 3HD ILE 67 10.127 -6.134 -7.659 478 H LYS 68 HN LYS 68 8.307 -2.810 -12.711 479 HA LYS 68 HA LYS 68 8.146 -5.195 -14.419 480 1HB LYS 68 2HB LYS 68 6.304 -3.290 -14.407 481 2HB LYS 68 3HB LYS 68 7.462 -2.457 -15.426 482 1HG LYS 68 2HG LYS 68 7.286 -5.205 -16.318 483 2HG LYS 68 3HG LYS 68 5.658 -4.576 -16.156 484 1HD LYS 68 2HD LYS 68 5.894 -3.178 -17.944 485 2HD LYS 68 3HD LYS 68 7.467 -2.618 -17.413 486 1HE LYS 68 2HE LYS 68 8.489 -4.759 -18.282 487 2HE LYS 68 3HE LYS 68 6.912 -5.246 -18.873 488 1HZ LYS 68 1HZ LYS 68 6.905 -3.538 -20.407 489 2HZ LYS 68 2HZ LYS 68 8.074 -2.679 -19.655 490 3HZ LYS 68 3HZ LYS 68 8.454 -4.053 -20.454 491 HHA HEC 98 HGM HEC 98 -4.336 -5.809 8.563 492 HHB HEC 98 HDM HEC 98 -2.019 -2.728 13.473 493 HHC HEC 98 HAM HEC 98 1.294 0.913 9.488 494 HHD HEC 98 HBM HEC 98 -1.471 -1.972 4.709 495 1HMA HEC 98 1HM HEC 98 -2.577 -5.992 13.897 496 2HMA HEC 98 2HM HEC 98 -3.150 -4.351 14.280 497 3HMA HEC 98 3HM HEC 98 -4.317 -5.622 13.844 498 1HAA HEC 98 1HA HEC 98 -4.751 -7.101 12.011 499 2HAA HEC 98 2HA HEC 98 -5.242 -6.671 10.356 500 1HBA HEC 98 3HB HEC 98 -4.096 -8.629 9.812 501 2HBA HEC 98 4HB HEC 98 -2.678 -7.556 9.873 502 1HMB HEC 98 1HM HEC 98 -1.482 0.298 14.412 503 2HMB HEC 98 2HM HEC 98 -1.114 -1.419 14.694 504 3HMB HEC 98 3HM HEC 98 0.185 -0.206 14.774 505 HAB HEC 98 HT2 HEC 98 1.676 1.614 11.336 506 1HBB HEC 98 1HT HEC 98 3.154 0.014 12.215 507 2HBB HEC 98 2HT HEC 98 3.297 1.582 13.045 508 3HBB HEC 98 3HT HEC 98 2.465 0.227 13.843 509 1HMC HEC 98 1HM HEC 98 2.744 1.325 7.388 510 2HMC HEC 98 2HM HEC 98 1.873 2.127 6.059 511 3HMC HEC 98 3HM HEC 98 1.440 2.483 7.748 512 HAC HEC 98 HT4 HEC 98 0.201 1.613 4.466 513 1HBC HEC 98 1HT HEC 98 -1.422 -0.606 3.345 514 2HBC HEC 98 2HT HEC 98 -2.114 0.177 4.786 515 3HBC HEC 98 3HT HEC 98 -1.723 1.149 3.347 516 1HMD HEC 98 1HM HEC 98 -3.489 -4.722 3.367 517 2HMD HEC 98 2HM HEC 98 -3.731 -2.961 3.445 518 3HMD HEC 98 3HM HEC 98 -2.086 -3.626 3.313 519 1HAD HEC 98 1HA HEC 98 -4.378 -6.748 6.461 520 2HAD HEC 98 2HA HEC 98 -5.149 -5.803 5.166 521 1HBD HEC 98 3HB HEC 98 -2.481 -6.302 4.364 522 2HBD HEC 98 4HB HEC 98 -3.154 -7.832 4.976 523 HHA HEC 128 HGM HEC 128 7.605 3.226 -0.540 524 HHB HEC 128 HDM HEC 128 3.592 -0.883 -2.988 525 HHC HEC 128 HAM HEC 128 -0.967 1.553 0.672 526 HHD HEC 128 HBM HEC 128 3.067 5.867 2.655 527 1HMA HEC 128 1HM HEC 128 5.683 -1.907 -3.025 528 2HMA HEC 128 2HM HEC 128 6.349 -0.807 -4.254 529 3HMA HEC 128 3HM HEC 128 7.404 -1.457 -2.978 530 1HAA HEC 128 1HA HEC 128 8.770 0.498 -2.680 531 2HAA HEC 128 2HA HEC 128 8.710 2.076 -1.858 532 1HBA HEC 128 3HB HEC 128 8.405 0.468 0.324 533 2HBA HEC 128 4HB HEC 128 9.310 -0.659 -0.713 534 1HMB HEC 128 1HM HEC 128 -0.069 -1.653 -3.556 535 2HMB HEC 128 2HM HEC 128 1.492 -1.067 -4.176 536 3HMB HEC 128 3HM HEC 128 1.442 -2.451 -3.058 537 HAB HEC 128 HT2 HEC 128 -1.930 0.320 -0.837 538 1HBB HEC 128 1HT HEC 128 -2.710 -1.592 0.162 539 2HBB HEC 128 2HT HEC 128 -1.220 -2.492 -0.208 540 3HBB HEC 128 3HT HEC 128 -1.176 -1.133 0.940 541 1HMC HEC 128 1HM HEC 128 -2.101 2.450 1.917 542 2HMC HEC 128 2HM HEC 128 -1.921 3.478 3.358 543 3HMC HEC 128 3HM HEC 128 -2.380 4.203 1.800 544 HAC HEC 128 HT4 HEC 128 1.081 6.422 3.439 545 1HBC HEC 128 1HT HEC 128 -1.854 5.664 3.705 546 2HBC HEC 128 2HT HEC 128 -0.588 5.075 4.811 547 3HBC HEC 128 3HT HEC 128 -0.928 6.819 4.693 548 1HMD HEC 128 1HM HEC 128 4.546 7.000 3.323 549 2HMD HEC 128 2HM HEC 128 6.320 6.870 3.372 550 3HMD HEC 128 3HM HEC 128 5.531 7.807 2.080 551 1HAD HEC 128 1HA HEC 128 8.056 5.718 2.510 552 2HAD HEC 128 2HA HEC 128 8.544 4.475 1.333 553 1HBD HEC 128 3HB HEC 128 9.155 6.029 -0.113 554 2HBD HEC 128 4HB HEC 128 7.544 6.784 -0.050 555 HHA HEC 158 HGM HEC 158 -3.332 -7.273 -7.420 556 HHB HEC 158 HDM HEC 158 -1.925 -5.598 -13.267 557 HHC HEC 158 HAM HEC 158 -0.271 0.124 -11.114 558 HHD HEC 158 HBM HEC 158 -1.288 -1.877 -5.303 559 1HMA HEC 158 1HM HEC 158 -2.589 -7.891 -13.252 560 2HMA HEC 158 2HM HEC 158 -3.761 -8.887 -12.358 561 3HMA HEC 158 3HM HEC 158 -4.289 -7.379 -13.140 562 1HAA HEC 158 1HA HEC 158 -4.471 -8.462 -8.466 563 2HAA HEC 158 2HA HEC 158 -5.202 -8.756 -10.061 564 1HBA HEC 158 3HB HEC 158 -2.339 -9.518 -9.995 565 2HBA HEC 158 4HB HEC 158 -3.295 -10.417 -8.794 566 1HMB HEC 158 1HM HEC 158 -1.565 -3.857 -15.344 567 2HMB HEC 158 2HM HEC 158 0.078 -3.175 -15.356 568 3HMB HEC 158 3HM HEC 158 -0.210 -4.788 -14.661 569 HAB HEC 158 HT2 HEC 158 0.824 -0.358 -13.390 570 1HBB HEC 158 1HT HEC 158 -0.503 1.216 -12.778 571 2HBB HEC 158 2HT HEC 158 -0.979 1.201 -14.493 572 3HBB HEC 158 3HT HEC 158 -1.979 0.361 -13.285 573 1HMC HEC 158 1HM HEC 158 -0.436 2.068 -9.865 574 2HMC HEC 158 2HM HEC 158 0.304 2.401 -8.282 575 3HMC HEC 158 3HM HEC 158 1.244 1.577 -9.548 576 HAC HEC 158 HT4 HEC 158 -0.073 -0.109 -5.167 577 1HBC HEC 158 1HT HEC 158 -1.465 1.962 -6.019 578 2HBC HEC 158 2HT HEC 158 -0.371 2.141 -4.626 579 3HBC HEC 158 3HT HEC 158 0.137 2.707 -6.235 580 1HMD HEC 158 1HM HEC 158 -1.175 -4.178 -3.157 581 2HMD HEC 158 2HM HEC 158 -1.930 -2.620 -3.567 582 3HMD HEC 158 3HM HEC 158 -2.941 -3.990 -3.047 583 1HAD HEC 158 1HA HEC 158 -3.863 -5.804 -3.714 584 2HAD HEC 158 2HA HEC 158 -4.429 -6.683 -5.155 585 1HBD HEC 158 3HB HEC 158 -1.996 -7.702 -5.064 586 2HBD HEC 158 4HB HEC 158 -2.128 -7.243 -3.348 Start of MODEL 25 1 H ALA 1 HN ALA 1 5.850 -9.331 10.343 2 HA ALA 1 HA ALA 1 4.186 -8.625 8.038 3 1HB ALA 1 1HB ALA 1 3.261 -8.955 10.427 4 2HB ALA 1 2HB ALA 1 4.075 -7.422 10.818 5 3HB ALA 1 3HB ALA 1 2.806 -7.462 9.572 6 H ASP 2 HN ASP 2 7.238 -8.044 9.332 7 HA ASP 2 HA ASP 2 7.491 -5.345 9.386 8 1HB ASP 2 2HB ASP 2 9.889 -5.982 8.349 9 2HB ASP 2 3HB ASP 2 9.461 -6.383 10.001 10 H VAL 3 HN VAL 3 6.676 -7.424 6.735 11 HA VAL 3 HA VAL 3 6.318 -5.345 4.932 12 HB VAL 3 HB VAL 3 8.690 -5.134 4.803 13 1HG1 VAL 3 1HG VAL 3 8.953 -8.043 4.018 14 2HG1 VAL 3 2HG VAL 3 10.235 -6.888 4.453 15 3HG1 VAL 3 3HG VAL 3 9.119 -7.490 5.701 16 1HG2 VAL 3 1HG VAL 3 9.072 -5.995 2.371 17 2HG2 VAL 3 2HG VAL 3 7.362 -6.480 2.459 18 3HG2 VAL 3 3HG VAL 3 7.815 -4.772 2.677 19 H VAL 4 HN VAL 4 4.337 -6.673 5.120 20 HA VAL 4 HA VAL 4 4.206 -9.345 4.456 21 HB VAL 4 HB VAL 4 2.183 -7.158 3.928 22 1HG1 VAL 4 1HG VAL 4 1.521 -9.161 2.781 23 2HG1 VAL 4 2HG VAL 4 1.897 -10.166 4.201 24 3HG1 VAL 4 3HG VAL 4 0.532 -9.026 4.255 25 1HG2 VAL 4 1HG VAL 4 1.767 -7.025 6.126 26 2HG2 VAL 4 2HG VAL 4 1.792 -8.793 6.319 27 3HG2 VAL 4 3HG VAL 4 3.314 -7.871 6.366 28 H THR 5 HN THR 5 4.216 -10.518 2.565 29 HA THR 5 HA THR 5 4.723 -8.954 0.128 30 HB THR 5 HB THR 5 5.448 -11.812 0.963 31 HG1 THR 5 HG1 THR 5 6.896 -10.345 1.893 32 1HG2 THR 5 1HG THR 5 6.961 -11.624 -1.100 33 2HG2 THR 5 2HG THR 5 5.229 -11.811 -1.469 34 3HG2 THR 5 3HG THR 5 5.997 -10.208 -1.585 35 H TYR 6 HN TYR 6 3.777 -9.655 -1.894 36 HA TYR 6 HA TYR 6 1.495 -11.436 -1.652 37 1HB TYR 6 2HB TYR 6 1.521 -8.446 -1.849 38 2HB TYR 6 3HB TYR 6 0.550 -9.194 -3.101 39 HD1 TYR 6 HD1 TYR 6 -1.587 -10.157 -2.612 40 HD2 TYR 6 HD2 TYR 6 0.953 -8.847 0.572 41 HE1 TYR 6 HE1 TYR 6 -3.512 -10.394 -0.969 42 HE2 TYR 6 HE2 TYR 6 -0.981 -9.089 2.204 43 HH TYR 6 HH TYR 6 -2.996 -9.971 2.485 44 H GLU 7 HN GLU 7 2.910 -12.744 -3.043 45 HA GLU 7 HA GLU 7 3.725 -11.678 -5.524 46 1HB GLU 7 2HB GLU 7 3.653 -14.466 -4.327 47 2HB GLU 7 3HB GLU 7 4.123 -14.220 -5.998 48 1HG GLU 7 2HG GLU 7 6.082 -13.064 -5.432 49 2HG GLU 7 3HG GLU 7 5.432 -12.480 -3.913 50 H ASN 8 HN ASN 8 2.589 -11.521 -7.422 51 HA ASN 8 HA ASN 8 0.173 -13.140 -7.593 52 1HB ASN 8 2HB ASN 8 0.551 -10.234 -8.491 53 2HB ASN 8 3HB ASN 8 -0.874 -11.192 -8.841 54 1HD2 ASN 8 1HD ASN 8 0.491 -9.003 -6.780 55 2HD2 ASN 8 2HD ASN 8 -0.513 -9.193 -5.381 56 H LYS 9 HN LYS 9 -0.602 -13.077 -10.088 57 HA LYS 9 HA LYS 9 1.488 -14.146 -11.609 58 1HB LYS 9 2HB LYS 9 -1.360 -13.348 -12.170 59 2HB LYS 9 3HB LYS 9 -0.310 -13.849 -13.481 60 1HG LYS 9 2HG LYS 9 0.205 -15.812 -11.590 61 2HG LYS 9 3HG LYS 9 -1.482 -15.464 -11.273 62 1HD LYS 9 2HD LYS 9 -1.633 -17.118 -12.939 63 2HD LYS 9 3HD LYS 9 -1.789 -15.645 -13.876 64 1HE LYS 9 2HE LYS 9 0.686 -15.720 -14.358 65 2HE LYS 9 3HE LYS 9 0.794 -17.229 -13.474 66 1HZ LYS 9 1HZ LYS 9 -1.241 -17.609 -15.224 67 2HZ LYS 9 2HZ LYS 9 -0.143 -16.773 -16.097 68 3HZ LYS 9 3HZ LYS 9 0.281 -18.178 -15.383 69 H LYS 10 HN LYS 10 -0.192 -10.940 -11.700 70 HA LYS 10 HA LYS 10 1.238 -9.940 -13.870 71 1HB LYS 10 2HB LYS 10 -0.683 -9.002 -11.934 72 2HB LYS 10 3HB LYS 10 0.575 -7.799 -12.134 73 1HG LYS 10 2HG LYS 10 -0.718 -7.175 -13.936 74 2HG LYS 10 3HG LYS 10 0.212 -8.419 -14.747 75 1HD LYS 10 2HD LYS 10 -2.280 -9.280 -13.287 76 2HD LYS 10 3HD LYS 10 -2.487 -8.396 -14.786 77 1HE LYS 10 2HE LYS 10 -0.587 -10.765 -14.645 78 2HE LYS 10 3HE LYS 10 -2.306 -11.017 -14.877 79 1HZ LYS 10 1HZ LYS 10 -2.210 -9.626 -16.813 80 2HZ LYS 10 2HZ LYS 10 -0.624 -9.315 -16.583 81 3HZ LYS 10 3HZ LYS 10 -1.114 -10.828 -16.956 82 H GLY 11 HN GLY 11 1.671 -8.540 -10.579 83 1HA GLY 11 1HA GLY 11 4.532 -9.112 -10.673 84 2HA GLY 11 2HA GLY 11 4.060 -7.427 -10.775 85 H ASN 12 HN ASN 12 5.466 -9.110 -8.610 86 HA ASN 12 HA ASN 12 3.749 -9.438 -6.479 87 1HB ASN 12 2HB ASN 12 5.774 -9.570 -5.116 88 2HB ASN 12 3HB ASN 12 6.135 -10.300 -6.668 89 1HD2 ASN 12 1HD ASN 12 7.456 -8.523 -4.398 90 2HD2 ASN 12 2HD ASN 12 8.491 -7.457 -5.288 91 H VAL 13 HN VAL 13 2.794 -7.916 -5.097 92 HA VAL 13 HA VAL 13 3.839 -5.174 -5.261 93 HB VAL 13 HB VAL 13 1.664 -5.369 -6.274 94 1HG1 VAL 13 1HG VAL 13 -0.097 -5.969 -4.160 95 2HG1 VAL 13 2HG VAL 13 0.249 -6.957 -5.598 96 3HG1 VAL 13 3HG VAL 13 1.173 -7.214 -4.098 97 1HG2 VAL 13 1HG VAL 13 2.342 -3.525 -4.420 98 2HG2 VAL 13 2HG VAL 13 0.811 -3.491 -5.325 99 3HG2 VAL 13 3HG VAL 13 0.857 -4.167 -3.679 100 H THR 14 HN THR 14 5.285 -6.643 -3.583 101 HA THR 14 HA THR 14 4.392 -7.295 -1.098 102 HB THR 14 HB THR 14 6.789 -7.253 -2.346 103 HG1 THR 14 HG1 THR 14 6.219 -6.953 0.520 104 1HG2 THR 14 1HG THR 14 7.012 -5.050 -0.236 105 2HG2 THR 14 2HG THR 14 8.315 -5.687 -1.268 106 3HG2 THR 14 3HG THR 14 7.005 -4.719 -1.985 107 H PHE 15 HN PHE 15 3.734 -6.326 0.754 108 HA PHE 15 HA PHE 15 3.150 -3.506 0.522 109 1HB PHE 15 2HB PHE 15 2.588 -5.759 2.536 110 2HB PHE 15 3HB PHE 15 2.050 -4.116 2.822 111 HD1 PHE 15 HD1 PHE 15 1.941 -6.559 -0.011 112 HD2 PHE 15 HD2 PHE 15 -0.160 -3.725 2.347 113 HE1 PHE 15 HE1 PHE 15 -0.148 -7.013 -1.326 114 HE2 PHE 15 HE2 PHE 15 -2.249 -4.179 1.033 115 HZ PHE 15 HZ PHE 15 -2.219 -5.819 -0.789 116 H ASP 16 HN ASP 16 3.243 -2.540 3.077 117 HA ASP 16 HA ASP 16 5.885 -3.110 4.084 118 1HB ASP 16 2HB ASP 16 4.933 -0.384 3.107 119 2HB ASP 16 3HB ASP 16 6.260 -0.548 4.238 120 H HIS 17 HN HIS 17 5.646 -3.263 6.321 121 HA HIS 17 HA HIS 17 3.411 -1.775 7.496 122 1HB HIS 17 2HB HIS 17 3.737 -4.484 7.454 123 2HB HIS 17 3HB HIS 17 4.521 -4.088 8.970 124 HD1 HIS 17 HD1 HIS 17 2.932 -4.343 10.866 125 HD2 HIS 17 HD2 HIS 17 1.036 -2.871 7.426 126 HE1 HIS 17 HE1 HIS 17 0.485 -3.990 11.494 127 H LYS 18 HN LYS 18 6.591 -3.276 8.441 128 HA LYS 18 HA LYS 18 6.948 -1.161 10.382 129 1HB LYS 18 2HB LYS 18 8.425 -2.549 11.409 130 2HB LYS 18 3HB LYS 18 7.495 -3.758 10.546 131 1HG LYS 18 2HG LYS 18 9.609 -4.407 9.862 132 2HG LYS 18 3HG LYS 18 9.278 -3.238 8.598 133 1HD LYS 18 2HD LYS 18 10.318 -1.523 10.394 134 2HD LYS 18 3HD LYS 18 11.082 -2.978 11.003 135 1HE LYS 18 2HE LYS 18 11.429 -3.148 8.206 136 2HE LYS 18 3HE LYS 18 11.673 -1.449 8.559 137 1HZ LYS 18 1HZ LYS 18 12.947 -3.340 10.332 138 2HZ LYS 18 2HZ LYS 18 13.566 -3.216 8.826 139 3HZ LYS 18 3HZ LYS 18 13.486 -1.899 9.788 140 H ALA 19 HN ALA 19 7.750 -1.889 7.075 141 HA ALA 19 HA ALA 19 10.123 -0.271 7.039 142 1HB ALA 19 1HB ALA 19 9.028 -2.292 5.462 143 2HB ALA 19 2HB ALA 19 8.824 -0.830 4.468 144 3HB ALA 19 3HB ALA 19 10.441 -1.290 5.051 145 H HIS 20 HN HIS 20 6.633 0.129 6.643 146 HA HIS 20 HA HIS 20 7.038 2.762 5.486 147 1HB HIS 20 2HB HIS 20 4.777 0.834 5.680 148 2HB HIS 20 3HB HIS 20 4.361 2.537 5.686 149 HD1 HIS 20 HD1 HIS 20 7.362 1.569 3.676 150 HD2 HIS 20 HD2 HIS 20 3.257 2.177 3.064 151 HE1 HIS 20 HE1 HIS 20 7.030 1.713 1.149 152 H ALA 21 HN ALA 21 5.500 1.144 8.341 153 HA ALA 21 HA ALA 21 4.610 3.406 9.626 154 1HB ALA 21 1HB ALA 21 4.923 1.961 11.708 155 2HB ALA 21 2HB ALA 21 3.970 1.231 10.392 156 3HB ALA 21 3HB ALA 21 5.664 0.743 10.641 157 H GLU 22 HN GLU 22 7.834 1.755 9.899 158 HA GLU 22 HA GLU 22 9.008 3.198 11.770 159 1HB GLU 22 2HB GLU 22 11.154 2.842 10.575 160 2HB GLU 22 3HB GLU 22 10.141 1.413 10.518 161 1HG GLU 22 2HG GLU 22 9.535 1.781 8.234 162 2HG GLU 22 3HG GLU 22 10.038 3.459 8.275 163 H LYS 23 HN LYS 23 7.989 4.373 8.591 164 HA LYS 23 HA LYS 23 9.309 6.932 9.141 165 1HB LYS 23 2HB LYS 23 10.015 6.229 7.036 166 2HB LYS 23 3HB LYS 23 8.464 5.532 6.620 167 1HG LYS 23 2HG LYS 23 7.694 7.498 5.769 168 2HG LYS 23 3HG LYS 23 8.199 8.398 7.186 169 1HD LYS 23 2HD LYS 23 10.392 8.773 6.328 170 2HD LYS 23 3HD LYS 23 10.266 7.464 5.169 171 1HE LYS 23 2HE LYS 23 9.849 9.199 3.706 172 2HE LYS 23 3HE LYS 23 8.205 8.980 4.270 173 1HZ LYS 23 1HZ LYS 23 8.377 11.103 4.832 174 2HZ LYS 23 2HZ LYS 23 9.245 10.604 6.122 175 3HZ LYS 23 3HZ LYS 23 10.009 11.126 4.776 176 H LEU 24 HN LEU 24 6.227 5.703 7.648 177 HA LEU 24 HA LEU 24 4.828 8.063 8.061 178 1HB LEU 24 2HB LEU 24 3.912 5.204 7.753 179 2HB LEU 24 3HB LEU 24 2.815 6.571 7.800 180 HG LEU 24 HG LEU 24 4.520 7.393 5.846 181 1HD1 LEU 24 1HD LEU 24 4.444 5.050 4.447 182 2HD1 LEU 24 2HD LEU 24 5.873 5.691 5.294 183 3HD1 LEU 24 3HD LEU 24 4.841 4.475 6.084 184 1HD2 LEU 24 1HD LEU 24 2.578 7.513 4.784 185 2HD2 LEU 24 2HD LEU 24 2.510 5.741 4.626 186 3HD2 LEU 24 3HD LEU 24 1.841 6.532 6.073 187 H GLY 25 HN GLY 25 3.580 5.166 9.718 188 1HA GLY 25 1HA GLY 25 3.939 4.972 12.157 189 2HA GLY 25 2HA GLY 25 3.654 6.699 12.249 190 H CYS 26 HN CYS 26 2.095 3.706 10.888 191 HA CYS 26 HA CYS 26 -0.054 3.244 10.562 192 1HB CYS 26 2HB CYS 26 -0.735 4.163 13.304 193 2HB CYS 26 3HB CYS 26 -1.100 2.652 12.495 194 H ASP 27 HN ASP 27 -2.258 4.616 12.262 195 HA ASP 27 HA ASP 27 -3.813 6.059 11.667 196 1HB ASP 27 2HB ASP 27 -1.452 7.959 12.055 197 2HB ASP 27 3HB ASP 27 -3.136 8.436 12.125 198 H ALA 28 HN ALA 28 -2.317 4.989 9.330 199 HA ALA 28 HA ALA 28 -2.471 7.321 7.546 200 1HB ALA 28 1HB ALA 28 -0.969 5.245 6.328 201 2HB ALA 28 2HB ALA 28 -0.371 6.806 6.939 202 3HB ALA 28 3HB ALA 28 -0.376 5.378 8.001 203 H CYS 29 HN CYS 29 -2.651 3.685 7.523 204 HA CYS 29 HA CYS 29 -4.899 3.989 5.671 205 1HB CYS 29 2HB CYS 29 -4.025 1.327 5.601 206 2HB CYS 29 3HB CYS 29 -3.866 2.552 4.357 207 H HIS 30 HN HIS 30 -4.281 3.724 8.867 208 HA HIS 30 HA HIS 30 -6.407 1.749 9.278 209 1HB HIS 30 2HB HIS 30 -4.002 2.408 10.993 210 2HB HIS 30 3HB HIS 30 -5.368 1.478 11.576 211 HD1 HIS 30 HD1 HIS 30 -5.871 -0.828 10.171 212 HD2 HIS 30 HD2 HIS 30 -2.100 0.935 9.657 213 HE1 HIS 30 HE1 HIS 30 -4.369 -2.633 9.172 214 H GLU 31 HN GLU 31 -7.386 2.225 11.679 215 HA GLU 31 HA GLU 31 -7.447 4.830 12.558 216 1HB GLU 31 2HB GLU 31 -8.615 5.003 10.206 217 2HB GLU 31 3HB GLU 31 -9.987 4.262 11.006 218 1HG GLU 31 2HG GLU 31 -9.757 6.105 12.807 219 2HG GLU 31 3HG GLU 31 -8.633 6.897 11.721 220 H GLY 32 HN GLY 32 -8.064 4.584 14.662 221 1HA GLY 32 1HA GLY 32 -8.903 3.607 16.511 222 2HA GLY 32 2HA GLY 32 -10.403 3.547 15.606 223 H THR 33 HN THR 33 -7.549 1.734 16.676 224 HA THR 33 HA THR 33 -7.213 -0.453 16.927 225 HB THR 33 HB THR 33 -10.085 -0.880 15.965 226 HG1 THR 33 HG1 THR 33 -9.037 -0.407 18.655 227 1HG2 THR 33 1HG THR 33 -9.185 -3.025 16.426 228 2HG2 THR 33 2HG THR 33 -8.085 -2.396 17.676 229 3HG2 THR 33 3HG THR 33 -9.825 -2.549 18.018 230 HA PRO 34 HA PRO 34 -6.062 -1.061 12.744 231 1HB PRO 34 2HB PRO 34 -3.659 -2.253 13.266 232 2HB PRO 34 3HB PRO 34 -3.855 -0.518 13.113 233 1HG PRO 34 2HG PRO 34 -3.475 -2.131 15.561 234 2HG PRO 34 3HG PRO 34 -3.250 -0.408 15.336 235 1HD PRO 34 2HD PRO 34 -5.466 -1.696 16.624 236 2HD PRO 34 3HD PRO 34 -5.295 0.018 16.295 237 H ALA 35 HN ALA 35 -6.831 -2.572 11.413 238 HA ALA 35 HA ALA 35 -6.573 -5.316 12.385 239 1HB ALA 35 1HB ALA 35 -8.771 -5.058 13.035 240 2HB ALA 35 2HB ALA 35 -9.093 -3.785 11.833 241 3HB ALA 35 3HB ALA 35 -9.025 -5.490 11.327 242 H LYS 36 HN LYS 36 -7.631 -6.736 10.361 243 HA LYS 36 HA LYS 36 -5.806 -6.210 8.248 244 1HB LYS 36 2HB LYS 36 -6.397 -8.309 7.446 245 2HB LYS 36 3HB LYS 36 -6.620 -8.472 9.176 246 1HG LYS 36 2HG LYS 36 -8.643 -9.357 8.450 247 2HG LYS 36 3HG LYS 36 -9.111 -7.676 8.621 248 1HD LYS 36 2HD LYS 36 -9.880 -8.062 6.462 249 2HD LYS 36 3HD LYS 36 -8.262 -7.502 6.091 250 1HE LYS 36 2HE LYS 36 -7.918 -9.463 4.999 251 2HE LYS 36 3HE LYS 36 -7.928 -10.265 6.558 252 1HZ LYS 36 1HZ LYS 36 -10.004 -10.122 4.576 253 2HZ LYS 36 2HZ LYS 36 -9.654 -11.315 5.635 254 3HZ LYS 36 3HZ LYS 36 -10.513 -10.016 6.124 255 H ILE 37 HN ILE 37 -6.111 -4.547 6.859 256 HA ILE 37 HA ILE 37 -8.642 -3.422 6.384 257 HB ILE 37 HB ILE 37 -6.030 -3.170 4.889 258 1HG1 ILE 37 2HG ILE 37 -7.181 -1.193 6.853 259 2HG1 ILE 37 3HG ILE 37 -6.207 -2.543 7.401 260 1HG2 ILE 37 1HG ILE 37 -8.595 -1.579 4.698 261 2HG2 ILE 37 2HG ILE 37 -7.022 -0.993 4.107 262 3HG2 ILE 37 3HG ILE 37 -7.746 -2.460 3.405 263 1HD1 ILE 37 1HD ILE 37 -4.770 -1.480 5.208 264 2HD1 ILE 37 2HD ILE 37 -5.355 -0.065 6.116 265 3HD1 ILE 37 3HD ILE 37 -4.371 -1.302 6.935 266 H ALA 38 HN ALA 38 -9.546 -3.190 4.058 267 HA ALA 38 HA ALA 38 -9.815 -5.904 3.034 268 1HB ALA 38 1HB ALA 38 -11.701 -4.685 1.712 269 2HB ALA 38 2HB ALA 38 -11.914 -4.937 3.462 270 3HB ALA 38 3HB ALA 38 -11.413 -3.343 2.846 271 H ILE 39 HN ILE 39 -7.858 -6.181 1.874 272 HA ILE 39 HA ILE 39 -7.622 -4.390 -0.444 273 HB ILE 39 HB ILE 39 -5.475 -5.683 1.232 274 1HG1 ILE 39 2HG ILE 39 -6.586 -3.447 1.882 275 2HG1 ILE 39 3HG ILE 39 -4.837 -3.543 1.859 276 1HG2 ILE 39 1HG ILE 39 -5.351 -4.545 -1.551 277 2HG2 ILE 39 2HG ILE 39 -3.945 -4.469 -0.463 278 3HG2 ILE 39 3HG ILE 39 -4.642 -6.045 -0.907 279 1HD1 ILE 39 1HD ILE 39 -5.665 -1.474 0.743 280 2HD1 ILE 39 2HD ILE 39 -4.773 -2.516 -0.391 281 3HD1 ILE 39 3HD ILE 39 -6.551 -2.475 -0.431 282 H ASP 40 HN ASP 40 -7.348 -5.348 -2.473 283 HA ASP 40 HA ASP 40 -6.838 -8.119 -2.664 284 1HB ASP 40 2HB ASP 40 -9.347 -7.928 -2.049 285 2HB ASP 40 3HB ASP 40 -9.577 -7.177 -3.615 286 H LYS 41 HN LYS 41 -8.831 -5.635 -4.456 287 HA LYS 41 HA LYS 41 -6.879 -4.803 -6.203 288 1HB LYS 41 2HB LYS 41 -6.621 -7.003 -7.077 289 2HB LYS 41 3HB LYS 41 -8.351 -7.254 -7.185 290 1HG LYS 41 2HG LYS 41 -7.939 -4.915 -8.689 291 2HG LYS 41 3HG LYS 41 -6.538 -5.895 -9.072 292 1HD LYS 41 2HD LYS 41 -7.776 -7.313 -10.346 293 2HD LYS 41 3HD LYS 41 -8.938 -7.559 -9.057 294 1HE LYS 41 2HE LYS 41 -10.415 -6.025 -9.917 295 2HE LYS 41 3HE LYS 41 -9.148 -4.885 -10.327 296 1HZ LYS 41 1HZ LYS 41 -9.456 -5.546 -12.393 297 2HZ LYS 41 2HZ LYS 41 -8.765 -6.977 -12.012 298 3HZ LYS 41 3HZ LYS 41 -10.390 -6.817 -11.965 299 H LYS 42 HN LYS 42 -8.103 -2.925 -5.519 300 HA LYS 42 HA LYS 42 -9.840 -1.973 -7.387 301 1HB LYS 42 2HB LYS 42 -11.557 -3.484 -6.936 302 2HB LYS 42 3HB LYS 42 -11.263 -3.478 -5.209 303 1HG LYS 42 2HG LYS 42 -12.083 -1.136 -5.053 304 2HG LYS 42 3HG LYS 42 -12.321 -1.086 -6.788 305 1HD LYS 42 2HD LYS 42 -13.659 -3.298 -5.225 306 2HD LYS 42 3HD LYS 42 -14.336 -1.686 -5.125 307 1HE LYS 42 2HE LYS 42 -13.662 -2.735 -7.869 308 2HE LYS 42 3HE LYS 42 -15.056 -3.425 -7.062 309 1HZ LYS 42 1HZ LYS 42 -14.665 -0.530 -7.319 310 2HZ LYS 42 2HZ LYS 42 -15.482 -1.414 -8.423 311 3HZ LYS 42 3HZ LYS 42 -16.029 -1.315 -6.888 312 H SER 43 HN SER 43 -9.666 -2.105 -3.757 313 HA SER 43 HA SER 43 -9.814 0.739 -3.674 314 1HB SER 43 2HB SER 43 -9.858 -1.515 -1.732 315 2HB SER 43 3HB SER 43 -9.126 -0.046 -1.118 316 HG SER 43 HG SER 43 -11.804 -0.449 -2.092 317 H ALA 44 HN ALA 44 -7.348 -1.843 -3.370 318 HA ALA 44 HA ALA 44 -5.295 -0.215 -2.348 319 1HB ALA 44 1HB ALA 44 -4.801 -2.604 -4.121 320 2HB ALA 44 2HB ALA 44 -3.963 -2.108 -2.632 321 3HB ALA 44 3HB ALA 44 -5.587 -2.828 -2.540 322 H HIS 45 HN HIS 45 -6.973 -0.020 -5.266 323 HA HIS 45 HA HIS 45 -4.622 0.854 -6.746 324 1HB HIS 45 2HB HIS 45 -7.354 -0.100 -7.468 325 2HB HIS 45 3HB HIS 45 -6.614 1.077 -8.533 326 HD1 HIS 45 HD1 HIS 45 -6.568 -0.891 -10.346 327 HD2 HIS 45 HD2 HIS 45 -4.087 -1.437 -7.009 328 HE1 HIS 45 HE1 HIS 45 -4.935 -2.751 -10.967 329 H LYS 46 HN LYS 46 -6.831 2.086 -4.561 330 HA LYS 46 HA LYS 46 -6.140 4.747 -5.164 331 1HB LYS 46 2HB LYS 46 -8.608 3.717 -6.386 332 2HB LYS 46 3HB LYS 46 -8.861 5.147 -5.407 333 1HG LYS 46 2HG LYS 46 -6.629 5.961 -6.708 334 2HG LYS 46 3HG LYS 46 -7.208 4.816 -7.901 335 1HD LYS 46 2HD LYS 46 -9.081 6.077 -8.419 336 2HD LYS 46 3HD LYS 46 -9.280 6.662 -6.779 337 1HE LYS 46 2HE LYS 46 -7.445 8.266 -7.057 338 2HE LYS 46 3HE LYS 46 -7.023 7.589 -8.617 339 1HZ LYS 46 1HZ LYS 46 -9.671 8.725 -8.075 340 2HZ LYS 46 2HZ LYS 46 -8.431 9.622 -8.645 341 3HZ LYS 46 3HZ LYS 46 -9.011 8.377 -9.528 342 H ASP 47 HN ASP 47 -9.035 3.005 -3.810 343 HA ASP 47 HA ASP 47 -9.023 4.620 -1.526 344 1HB ASP 47 2HB ASP 47 -10.436 2.128 -2.445 345 2HB ASP 47 3HB ASP 47 -10.475 2.469 -0.728 346 H ALA 48 HN ALA 48 -6.431 3.914 -1.512 347 HA ALA 48 HA ALA 48 -5.948 2.697 0.885 348 1HB ALA 48 1HB ALA 48 -6.228 0.496 0.524 349 2HB ALA 48 2HB ALA 48 -6.534 0.765 -1.207 350 3HB ALA 48 3HB ALA 48 -4.866 0.568 -0.618 351 H CYS 49 HN CYS 49 -4.354 1.937 -2.280 352 HA CYS 49 HA CYS 49 -1.974 3.225 -1.278 353 1HB CYS 49 2HB CYS 49 -2.432 1.741 -3.874 354 2HB CYS 49 3HB CYS 49 -0.887 2.289 -3.253 355 H LYS 50 HN LYS 50 -1.689 3.499 -4.547 356 HA LYS 50 HA LYS 50 -1.386 5.467 -5.651 357 1HB LYS 50 2HB LYS 50 -4.253 4.632 -5.623 358 2HB LYS 50 3HB LYS 50 -3.866 6.164 -6.382 359 1HG LYS 50 2HG LYS 50 -1.895 4.204 -7.207 360 2HG LYS 50 3HG LYS 50 -3.491 3.520 -7.442 361 1HD LYS 50 2HD LYS 50 -4.186 5.514 -8.746 362 2HD LYS 50 3HD LYS 50 -2.634 6.273 -8.454 363 1HE LYS 50 2HE LYS 50 -2.438 5.315 -10.635 364 2HE LYS 50 3HE LYS 50 -1.555 4.221 -9.590 365 1HZ LYS 50 1HZ LYS 50 -4.042 3.247 -9.484 366 2HZ LYS 50 2HZ LYS 50 -3.974 3.777 -11.027 367 3HZ LYS 50 3HZ LYS 50 -2.873 2.699 -10.485 368 H THR 51 HN THR 51 -4.510 6.582 -4.357 369 HA THR 51 HA THR 51 -4.072 9.113 -3.949 370 HB THR 51 HB THR 51 -5.961 7.376 -3.094 371 HG1 THR 51 HG1 THR 51 -6.648 9.379 -1.807 372 1HG2 THR 51 1HG THR 51 -4.738 6.601 -1.077 373 2HG2 THR 51 2HG THR 51 -4.467 8.288 -0.579 374 3HG2 THR 51 3HG THR 51 -6.116 7.617 -0.589 375 H CYS 52 HN CYS 52 -2.833 6.652 -1.602 376 HA CYS 52 HA CYS 52 -1.277 8.778 -0.375 377 1HB CYS 52 2HB CYS 52 -2.659 7.114 0.962 378 2HB CYS 52 3HB CYS 52 -1.479 5.899 0.513 379 H HIS 53 HN HIS 53 0.240 9.085 -2.152 380 HA HIS 53 HA HIS 53 2.561 7.665 -1.957 381 1HB HIS 53 2HB HIS 53 0.607 6.270 -3.573 382 2HB HIS 53 3HB HIS 53 1.985 6.727 -4.553 383 HD1 HIS 53 HD1 HIS 53 2.261 3.987 -4.572 384 HD2 HIS 53 HD2 HIS 53 3.159 5.983 -0.992 385 HE1 HIS 53 HE1 HIS 53 3.655 2.365 -3.179 386 H LYS 54 HN LYS 54 0.263 9.458 -4.027 387 HA LYS 54 HA LYS 54 2.222 10.556 -5.729 388 1HB LYS 54 2HB LYS 54 -0.553 11.570 -5.040 389 2HB LYS 54 3HB LYS 54 0.423 12.095 -6.396 390 1HG LYS 54 2HG LYS 54 0.426 9.791 -7.322 391 2HG LYS 54 3HG LYS 54 -0.475 9.210 -5.936 392 1HD LYS 54 2HD LYS 54 -2.092 9.552 -7.686 393 2HD LYS 54 3HD LYS 54 -2.325 10.864 -6.548 394 1HE LYS 54 2HE LYS 54 -0.362 11.371 -8.761 395 2HE LYS 54 3HE LYS 54 -2.045 11.250 -9.235 396 1HZ LYS 54 1HZ LYS 54 -2.191 13.333 -8.564 397 2HZ LYS 54 2HZ LYS 54 -2.087 12.805 -7.023 398 3HZ LYS 54 3HZ LYS 54 -0.747 13.312 -7.803 399 H SER 55 HN SER 55 3.861 10.985 -3.973 400 HA SER 55 HA SER 55 3.670 13.749 -3.312 401 1HB SER 55 2HB SER 55 3.107 11.700 -1.299 402 2HB SER 55 3HB SER 55 4.509 12.647 -0.842 403 HG SER 55 HG SER 55 1.800 13.473 -1.209 404 H ASN 56 HN ASN 56 5.411 10.626 -2.662 405 HA ASN 56 HA ASN 56 7.896 12.096 -2.984 406 1HB ASN 56 2HB ASN 56 7.174 9.424 -1.707 407 2HB ASN 56 3HB ASN 56 8.837 9.778 -2.129 408 1HD2 ASN 56 1HD ASN 56 6.076 10.720 -0.194 409 2HD2 ASN 56 2HD ASN 56 6.917 11.660 0.993 410 H ASN 57 HN ASN 57 6.431 8.834 -3.743 411 HA ASN 57 HA ASN 57 8.213 8.558 -5.961 412 1HB ASN 57 2HB ASN 57 6.377 6.834 -4.396 413 2HB ASN 57 3HB ASN 57 6.310 6.489 -6.112 414 1HD2 ASN 57 1HD ASN 57 7.878 5.879 -3.255 415 2HD2 ASN 57 2HD ASN 57 9.355 5.184 -3.835 416 H GLY 58 HN GLY 58 6.650 7.256 -7.899 417 1HA GLY 58 1HA GLY 58 4.340 8.975 -8.458 418 2HA GLY 58 2HA GLY 58 5.672 8.980 -9.597 419 HA PRO 59 HA PRO 59 3.953 4.573 -9.678 420 1HB PRO 59 2HB PRO 59 1.948 3.823 -7.977 421 2HB PRO 59 3HB PRO 59 3.645 3.540 -7.642 422 1HG PRO 59 2HG PRO 59 1.834 5.559 -6.466 423 2HG PRO 59 3HG PRO 59 3.374 4.982 -5.862 424 1HD PRO 59 2HD PRO 59 2.876 7.478 -7.185 425 2HD PRO 59 3HD PRO 59 4.434 6.849 -6.686 426 H THR 60 HN THR 60 3.265 6.440 -11.329 427 HA THR 60 HA THR 60 0.373 6.479 -11.542 428 HB THR 60 HB THR 60 2.706 7.772 -13.033 429 HG1 THR 60 HG1 THR 60 1.845 9.556 -11.858 430 1HG2 THR 60 1HG THR 60 1.291 8.206 -14.775 431 2HG2 THR 60 2HG THR 60 -0.039 7.350 -13.958 432 3HG2 THR 60 3HG THR 60 0.244 9.077 -13.629 433 H LYS 61 HN LYS 61 3.196 5.249 -13.444 434 HA LYS 61 HA LYS 61 1.441 3.959 -15.298 435 1HB LYS 61 2HB LYS 61 4.421 3.551 -14.962 436 2HB LYS 61 3HB LYS 61 3.449 3.231 -16.383 437 1HG LYS 61 2HG LYS 61 2.848 5.887 -15.956 438 2HG LYS 61 3HG LYS 61 4.489 5.828 -15.344 439 1HD LYS 61 2HD LYS 61 5.376 5.608 -17.433 440 2HD LYS 61 3HD LYS 61 4.239 4.350 -17.874 441 1HE LYS 61 2HE LYS 61 3.428 5.953 -19.310 442 2HE LYS 61 3HE LYS 61 2.542 6.487 -17.895 443 1HZ LYS 61 1HZ LYS 61 5.131 7.564 -17.878 444 2HZ LYS 61 2HZ LYS 61 4.406 7.907 -19.300 445 3HZ LYS 61 3HZ LYS 61 3.697 8.345 -17.896 446 H CYS 62 HN CYS 62 3.023 1.474 -15.523 447 HA CYS 62 HA CYS 62 1.851 0.125 -13.208 448 1HB CYS 62 2HB CYS 62 2.134 -0.589 -16.079 449 2HB CYS 62 3HB CYS 62 2.325 -1.892 -14.923 450 H GLY 63 HN GLY 63 4.295 1.471 -12.820 451 1HA GLY 63 1HA GLY 63 6.217 -0.778 -12.747 452 2HA GLY 63 2HA GLY 63 6.690 0.862 -13.144 453 H GLY 64 HN GLY 64 5.051 2.326 -11.292 454 1HA GLY 64 1HA GLY 64 6.576 2.628 -9.106 455 2HA GLY 64 2HA GLY 64 4.841 2.876 -9.102 456 H CYS 65 HN CYS 65 3.403 1.060 -8.499 457 HA CYS 65 HA CYS 65 4.506 -0.389 -6.334 458 1HB CYS 65 2HB CYS 65 1.822 -0.060 -7.571 459 2HB CYS 65 3HB CYS 65 2.088 -1.513 -6.628 460 H HIS 66 HN HIS 66 2.781 -1.469 -9.363 461 HA HIS 66 HA HIS 66 3.689 -4.108 -9.124 462 1HB HIS 66 2HB HIS 66 2.370 -2.483 -11.280 463 2HB HIS 66 3HB HIS 66 2.990 -4.077 -11.660 464 HD1 HIS 66 HD1 HIS 66 1.250 -5.845 -11.466 465 HD2 HIS 66 HD2 HIS 66 0.621 -2.726 -8.731 466 HE1 HIS 66 HE1 HIS 66 -0.878 -6.434 -10.187 467 H ILE 67 HN ILE 67 5.853 -4.556 -9.068 468 HA ILE 67 HA ILE 67 7.616 -3.063 -10.819 469 HB ILE 67 HB ILE 67 8.014 -5.010 -8.562 470 1HG1 ILE 67 2HG ILE 67 7.452 -2.630 -8.062 471 2HG1 ILE 67 3HG ILE 67 8.994 -3.158 -7.420 472 1HG2 ILE 67 1HG ILE 67 9.772 -4.593 -10.802 473 2HG2 ILE 67 2HG ILE 67 10.521 -3.964 -9.314 474 3HG2 ILE 67 3HG ILE 67 9.968 -5.656 -9.387 475 1HD1 ILE 67 1HD ILE 67 10.045 -1.501 -8.543 476 2HD1 ILE 67 2HD ILE 67 9.452 -2.160 -10.087 477 3HD1 ILE 67 3HD ILE 67 8.478 -0.965 -9.197 478 H LYS 68 HN LYS 68 6.675 -3.864 -12.842 479 HA LYS 68 HA LYS 68 7.268 -6.687 -13.337 480 1HB LYS 68 2HB LYS 68 4.945 -5.733 -13.742 481 2HB LYS 68 3HB LYS 68 5.637 -4.809 -15.061 482 1HG LYS 68 2HG LYS 68 6.630 -7.184 -15.791 483 2HG LYS 68 3HG LYS 68 5.322 -7.805 -14.804 484 1HD LYS 68 2HD LYS 68 3.740 -7.235 -16.345 485 2HD LYS 68 3HD LYS 68 4.408 -5.630 -16.564 486 1HE LYS 68 2HE LYS 68 5.539 -6.242 -18.450 487 2HE LYS 68 3HE LYS 68 6.172 -7.694 -17.701 488 1HZ LYS 68 1HZ LYS 68 3.431 -7.432 -18.725 489 2HZ LYS 68 2HZ LYS 68 4.659 -8.140 -19.536 490 3HZ LYS 68 3HZ LYS 68 4.118 -8.793 -18.141 491 HHA HEC 98 HGM HEC 98 -4.025 -5.366 8.440 492 HHB HEC 98 HDM HEC 98 -1.475 -2.709 13.481 493 HHC HEC 98 HAM HEC 98 1.550 1.352 9.676 494 HHD HEC 98 HBM HEC 98 -1.446 -1.130 4.810 495 1HMA HEC 98 1HM HEC 98 -3.758 -5.371 13.814 496 2HMA HEC 98 2HM HEC 98 -2.206 -6.200 13.550 497 3HMA HEC 98 3HM HEC 98 -2.230 -4.530 14.163 498 1HAA HEC 98 1HA HEC 98 -4.111 -7.051 11.769 499 2HAA HEC 98 2HA HEC 98 -4.872 -6.384 10.305 500 1HBA HEC 98 3HB HEC 98 -3.760 -8.013 9.119 501 2HBA HEC 98 4HB HEC 98 -2.261 -7.116 9.462 502 1HMB HEC 98 1HM HEC 98 0.653 0.001 14.867 503 2HMB HEC 98 2HM HEC 98 -1.113 -0.010 14.653 504 3HMB HEC 98 3HM HEC 98 -0.225 -1.545 14.804 505 HAB HEC 98 HT2 HEC 98 2.037 1.878 11.557 506 1HBB HEC 98 1HT HEC 98 3.610 0.299 12.197 507 2HBB HEC 98 2HT HEC 98 3.710 1.728 13.253 508 3HBB HEC 98 3HT HEC 98 2.956 0.231 13.851 509 1HMC HEC 98 1HM HEC 98 2.633 2.161 8.066 510 2HMC HEC 98 2HM HEC 98 2.361 2.502 6.341 511 3HMC HEC 98 3HM HEC 98 1.356 3.297 7.575 512 HAC HEC 98 HT4 HEC 98 -1.092 1.531 4.590 513 1HBC HEC 98 1HT HEC 98 1.439 1.020 3.211 514 2HBC HEC 98 2HT HEC 98 0.833 -0.435 4.038 515 3HBC HEC 98 3HT HEC 98 -0.194 0.408 2.854 516 1HMD HEC 98 1HM HEC 98 -2.295 -2.220 3.380 517 2HMD HEC 98 2HM HEC 98 -3.021 -3.841 3.264 518 3HMD HEC 98 3HM HEC 98 -4.053 -2.426 3.575 519 1HAD HEC 98 1HA HEC 98 -4.563 -5.886 6.288 520 2HAD HEC 98 2HA HEC 98 -4.782 -5.038 4.739 521 1HBD HEC 98 3HB HEC 98 -2.109 -5.923 4.792 522 2HBD HEC 98 4HB HEC 98 -3.111 -7.276 5.370 523 HHA HEC 128 HGM HEC 128 8.053 3.779 -1.134 524 HHB HEC 128 HDM HEC 128 4.174 -0.769 -2.934 525 HHC HEC 128 HAM HEC 128 -0.219 1.574 0.979 526 HHD HEC 128 HBM HEC 128 3.623 6.299 2.302 527 1HMA HEC 128 1HM HEC 128 6.257 -0.889 -4.231 528 2HMA HEC 128 2HM HEC 128 7.971 -0.699 -3.793 529 3HMA HEC 128 3HM HEC 128 6.900 -1.697 -2.781 530 1HAA HEC 128 1HA HEC 128 9.427 1.875 -1.393 531 2HAA HEC 128 2HA HEC 128 9.382 0.636 -2.668 532 1HBA HEC 128 3HB HEC 128 8.130 3.101 -3.642 533 2HBA HEC 128 4HB HEC 128 9.758 3.461 -3.019 534 1HMB HEC 128 1HM HEC 128 2.481 -1.561 -3.620 535 2HMB HEC 128 2HM HEC 128 1.513 -2.585 -2.534 536 3HMB HEC 128 3HM HEC 128 0.712 -1.376 -3.564 537 HAB HEC 128 HT2 HEC 128 -1.150 0.114 -0.140 538 1HBB HEC 128 1HT HEC 128 -0.581 -1.384 1.389 539 2HBB HEC 128 2HT HEC 128 -1.596 -2.329 0.272 540 3HBB HEC 128 3HT HEC 128 0.176 -2.491 0.219 541 1HMC HEC 128 1HM HEC 128 -1.231 2.422 2.455 542 2HMC HEC 128 2HM HEC 128 -1.135 3.802 3.576 543 3HMC HEC 128 3HM HEC 128 -1.749 4.040 1.923 544 HAC HEC 128 HT4 HEC 128 1.680 6.788 3.170 545 1HBC HEC 128 1HT HEC 128 -1.071 5.736 3.945 546 2HBC HEC 128 2HT HEC 128 0.407 5.445 4.894 547 3HBC HEC 128 3HT HEC 128 -0.191 7.105 4.664 548 1HMD HEC 128 1HM HEC 128 5.123 7.534 2.830 549 2HMD HEC 128 2HM HEC 128 6.880 7.632 2.562 550 3HMD HEC 128 3HM HEC 128 5.759 8.365 1.390 551 1HAD HEC 128 1HA HEC 128 8.536 6.625 1.642 552 2HAD HEC 128 2HA HEC 128 9.054 5.206 0.701 553 1HBD HEC 128 3HB HEC 128 8.664 6.390 -1.368 554 2HBD HEC 128 4HB HEC 128 8.026 7.793 -0.476 555 HHA HEC 158 HGM HEC 158 -3.760 -6.987 -6.413 556 HHB HEC 158 HDM HEC 158 -3.036 -5.613 -12.459 557 HHC HEC 158 HAM HEC 158 -0.851 0.092 -10.789 558 HHD HEC 158 HBM HEC 158 -1.210 -1.629 -4.812 559 1HMA HEC 158 1HM HEC 158 -5.394 -7.224 -12.003 560 2HMA HEC 158 2HM HEC 158 -3.777 -7.934 -12.221 561 3HMA HEC 158 3HM HEC 158 -4.967 -8.736 -11.168 562 1HAA HEC 158 1HA HEC 158 -4.957 -8.219 -7.242 563 2HAA HEC 158 2HA HEC 158 -6.062 -8.386 -8.627 564 1HBA HEC 158 3HB HEC 158 -3.796 -9.530 -9.693 565 2HBA HEC 158 4HB HEC 158 -3.563 -9.938 -7.978 566 1HMB HEC 158 1HM HEC 158 -1.011 -4.619 -14.247 567 2HMB HEC 158 2HM HEC 158 -2.781 -4.494 -14.369 568 3HMB HEC 158 3HM HEC 158 -1.752 -3.190 -15.005 569 HAB HEC 158 HT2 HEC 158 -0.249 -0.308 -12.959 570 1HBB HEC 158 1HT HEC 158 -1.600 1.238 -13.944 571 2HBB HEC 158 2HT HEC 158 -2.941 0.084 -14.137 572 3HBB HEC 158 3HT HEC 158 -2.457 0.620 -12.510 573 1HMC HEC 158 1HM HEC 158 0.776 2.148 -8.314 574 2HMC HEC 158 2HM HEC 158 0.400 1.504 -9.930 575 3HMC HEC 158 3HM HEC 158 -0.837 2.404 -9.022 576 HAC HEC 158 HT4 HEC 158 -0.226 0.386 -4.871 577 1HBC HEC 158 1HT HEC 158 -0.623 2.585 -6.355 578 2HBC HEC 158 2HT HEC 158 0.284 2.633 -4.825 579 3HBC HEC 158 3HT HEC 158 1.157 2.584 -6.375 580 1HMD HEC 158 1HM HEC 158 -1.674 -2.268 -2.975 581 2HMD HEC 158 2HM HEC 158 -2.652 -3.577 -2.271 582 3HMD HEC 158 3HM HEC 158 -0.923 -3.838 -2.603 583 1HAD HEC 158 1HA HEC 158 -3.500 -5.454 -2.675 584 2HAD HEC 158 2HA HEC 158 -4.626 -6.040 -3.923 585 1HBD HEC 158 3HB HEC 158 -2.139 -7.321 -4.363 586 2HBD HEC 158 4HB HEC 158 -2.498 -7.420 -2.622 Start of MODEL 26 1 H ALA 1 HN ALA 1 0.852 -4.529 4.758 2 HA ALA 1 HA ALA 1 0.236 -6.219 6.732 3 1HB ALA 1 1HB ALA 1 0.042 -7.893 5.067 4 2HB ALA 1 2HB ALA 1 -0.153 -6.361 4.182 5 3HB ALA 1 3HB ALA 1 1.398 -7.233 4.122 6 H ASP 2 HN ASP 2 2.315 -5.385 8.071 7 HA ASP 2 HA ASP 2 4.242 -5.825 8.995 8 1HB ASP 2 2HB ASP 2 2.705 -8.313 8.851 9 2HB ASP 2 3HB ASP 2 4.421 -8.664 8.884 10 H VAL 3 HN VAL 3 4.371 -5.448 6.080 11 HA VAL 3 HA VAL 3 5.830 -5.595 4.426 12 HB VAL 3 HB VAL 3 7.454 -6.818 6.642 13 1HG1 VAL 3 1HG VAL 3 9.414 -6.484 4.957 14 2HG1 VAL 3 2HG VAL 3 8.427 -7.963 4.863 15 3HG1 VAL 3 3HG VAL 3 8.147 -6.632 3.715 16 1HG2 VAL 3 1HG VAL 3 7.137 -4.151 5.381 17 2HG2 VAL 3 2HG VAL 3 7.555 -4.591 7.055 18 3HG2 VAL 3 3HG VAL 3 8.804 -4.626 5.787 19 H VAL 4 HN VAL 4 4.218 -6.919 3.333 20 HA VAL 4 HA VAL 4 4.884 -9.775 3.347 21 HB VAL 4 HB VAL 4 2.395 -8.198 2.771 22 1HG1 VAL 4 1HG VAL 4 2.673 -9.675 0.838 23 2HG1 VAL 4 2HG VAL 4 2.908 -11.069 1.920 24 3HG1 VAL 4 3HG VAL 4 1.337 -10.234 1.873 25 1HG2 VAL 4 1HG VAL 4 3.318 -9.628 4.977 26 2HG2 VAL 4 2HG VAL 4 1.648 -9.089 4.682 27 3HG2 VAL 4 3HG VAL 4 2.152 -10.729 4.205 28 H THR 5 HN THR 5 4.651 -10.864 1.135 29 HA THR 5 HA THR 5 5.470 -9.032 -1.011 30 HB THR 5 HB THR 5 6.804 -11.669 -0.200 31 HG1 THR 5 HG1 THR 5 8.559 -10.013 0.148 32 1HG2 THR 5 1HG THR 5 6.813 -10.157 -2.704 33 2HG2 THR 5 2HG THR 5 8.419 -10.090 -1.940 34 3HG2 THR 5 3HG THR 5 7.676 -11.664 -2.314 35 H TYR 6 HN TYR 6 3.440 -9.079 -1.982 36 HA TYR 6 HA TYR 6 2.201 -11.620 -2.503 37 1HB TYR 6 2HB TYR 6 1.786 -8.645 -3.013 38 2HB TYR 6 3HB TYR 6 0.859 -9.762 -3.994 39 HD1 TYR 6 HD1 TYR 6 1.542 -11.086 -0.735 40 HD2 TYR 6 HD2 TYR 6 -1.087 -8.479 -2.881 41 HE1 TYR 6 HE1 TYR 6 -0.184 -11.286 1.121 42 HE2 TYR 6 HE2 TYR 6 -2.803 -8.687 -1.017 43 HH TYR 6 HH TYR 6 -2.097 -10.631 1.874 44 H GLU 7 HN GLU 7 2.537 -12.910 -4.246 45 HA GLU 7 HA GLU 7 3.914 -11.660 -6.493 46 1HB GLU 7 2HB GLU 7 3.964 -14.606 -5.709 47 2HB GLU 7 3HB GLU 7 4.922 -13.843 -6.963 48 1HG GLU 7 2HG GLU 7 5.728 -12.265 -4.962 49 2HG GLU 7 3HG GLU 7 5.192 -13.600 -3.961 50 H ASN 8 HN ASN 8 2.521 -11.285 -8.161 51 HA ASN 8 HA ASN 8 0.395 -13.246 -8.515 52 1HB ASN 8 2HB ASN 8 -0.700 -11.320 -9.864 53 2HB ASN 8 3HB ASN 8 -0.620 -11.102 -8.127 54 1HD2 ASN 8 1HD ASN 8 0.374 -9.396 -7.305 55 2HD2 ASN 8 2HD ASN 8 1.327 -8.242 -8.178 56 H LYS 9 HN LYS 9 -0.218 -13.616 -10.896 57 HA LYS 9 HA LYS 9 1.803 -14.489 -12.421 58 1HB LYS 9 2HB LYS 9 -0.959 -13.520 -13.027 59 2HB LYS 9 3HB LYS 9 0.110 -13.833 -14.380 60 1HG LYS 9 2HG LYS 9 0.558 -16.059 -12.771 61 2HG LYS 9 3HG LYS 9 -1.141 -15.743 -12.483 62 1HD LYS 9 2HD LYS 9 -1.411 -15.592 -15.051 63 2HD LYS 9 3HD LYS 9 0.215 -16.234 -15.168 64 1HE LYS 9 2HE LYS 9 -0.505 -18.227 -13.794 65 2HE LYS 9 3HE LYS 9 -2.138 -17.594 -13.769 66 1HZ LYS 9 1HZ LYS 9 -2.312 -18.805 -15.615 67 2HZ LYS 9 2HZ LYS 9 -1.601 -17.539 -16.361 68 3HZ LYS 9 3HZ LYS 9 -0.709 -18.834 -15.921 69 H LYS 10 HN LYS 10 0.388 -11.153 -12.549 70 HA LYS 10 HA LYS 10 1.934 -10.160 -14.576 71 1HB LYS 10 2HB LYS 10 0.201 -9.149 -12.525 72 2HB LYS 10 3HB LYS 10 1.615 -8.119 -12.614 73 1HG LYS 10 2HG LYS 10 0.505 -7.127 -14.355 74 2HG LYS 10 3HG LYS 10 1.124 -8.473 -15.290 75 1HD LYS 10 2HD LYS 10 -1.069 -9.710 -14.398 76 2HD LYS 10 3HD LYS 10 -1.648 -8.075 -14.146 77 1HE LYS 10 2HE LYS 10 -0.504 -8.000 -16.726 78 2HE LYS 10 3HE LYS 10 -1.302 -9.558 -16.663 79 1HZ LYS 10 1HZ LYS 10 -2.463 -7.047 -16.904 80 2HZ LYS 10 2HZ LYS 10 -3.198 -8.504 -16.923 81 3HZ LYS 10 3HZ LYS 10 -3.000 -7.709 -15.511 82 H GLY 11 HN GLY 11 2.654 -9.266 -11.147 83 1HA GLY 11 1HA GLY 11 5.438 -10.076 -11.519 84 2HA GLY 11 2HA GLY 11 5.124 -8.367 -11.287 85 H ASN 12 HN ASN 12 4.641 -7.558 -9.232 86 HA ASN 12 HA ASN 12 3.669 -9.194 -7.192 87 1HB ASN 12 2HB ASN 12 5.717 -9.120 -5.704 88 2HB ASN 12 3HB ASN 12 5.935 -10.140 -7.112 89 1HD2 ASN 12 1HD ASN 12 8.137 -9.359 -5.913 90 2HD2 ASN 12 2HD ASN 12 8.992 -8.132 -6.786 91 H VAL 13 HN VAL 13 2.896 -7.803 -5.517 92 HA VAL 13 HA VAL 13 3.787 -5.008 -5.702 93 HB VAL 13 HB VAL 13 1.564 -5.317 -6.653 94 1HG1 VAL 13 1HG VAL 13 0.629 -6.249 -3.925 95 2HG1 VAL 13 2HG VAL 13 -0.298 -6.179 -5.443 96 3HG1 VAL 13 3HG VAL 13 1.019 -7.362 -5.258 97 1HG2 VAL 13 1HG VAL 13 2.320 -3.444 -4.763 98 2HG2 VAL 13 2HG VAL 13 0.885 -3.349 -5.812 99 3HG2 VAL 13 3HG VAL 13 0.741 -4.003 -4.163 100 H THR 14 HN THR 14 5.400 -6.211 -4.114 101 HA THR 14 HA THR 14 4.550 -7.023 -1.598 102 HB THR 14 HB THR 14 7.125 -5.812 -2.708 103 HG1 THR 14 HG1 THR 14 6.139 -8.036 -3.211 104 1HG2 THR 14 1HG THR 14 8.144 -5.919 -0.653 105 2HG2 THR 14 2HG THR 14 6.501 -5.871 0.030 106 3HG2 THR 14 3HG THR 14 7.307 -7.435 -0.240 107 H PHE 15 HN PHE 15 3.849 -6.054 0.218 108 HA PHE 15 HA PHE 15 3.415 -3.202 0.042 109 1HB PHE 15 2HB PHE 15 2.766 -5.236 2.254 110 2HB PHE 15 3HB PHE 15 1.995 -3.678 2.032 111 HD1 PHE 15 HD1 PHE 15 1.762 -3.976 -1.055 112 HD2 PHE 15 HD2 PHE 15 0.737 -6.506 2.194 113 HE1 PHE 15 HE1 PHE 15 -0.018 -5.056 -2.457 114 HE2 PHE 15 HE2 PHE 15 -1.041 -7.586 0.793 115 HZ PHE 15 HZ PHE 15 -1.398 -6.848 -1.516 116 H ASP 16 HN ASP 16 3.488 -2.312 2.628 117 HA ASP 16 HA ASP 16 6.033 -3.067 3.728 118 1HB ASP 16 2HB ASP 16 5.435 -0.149 3.077 119 2HB ASP 16 3HB ASP 16 6.929 -0.797 3.725 120 H HIS 17 HN HIS 17 5.583 -3.264 5.927 121 HA HIS 17 HA HIS 17 3.659 -1.361 7.045 122 1HB HIS 17 2HB HIS 17 2.716 -3.658 6.745 123 2HB HIS 17 3HB HIS 17 3.953 -4.275 7.822 124 HD1 HIS 17 HD1 HIS 17 3.913 -2.311 10.138 125 HD2 HIS 17 HD2 HIS 17 0.427 -3.649 8.227 126 HE1 HIS 17 HE1 HIS 17 2.012 -1.986 11.810 127 H LYS 18 HN LYS 18 6.062 -3.875 8.123 128 HA LYS 18 HA LYS 18 6.740 -2.481 10.448 129 1HB LYS 18 2HB LYS 18 7.065 -4.958 9.845 130 2HB LYS 18 3HB LYS 18 8.521 -4.454 9.011 131 1HG LYS 18 2HG LYS 18 9.608 -3.809 10.986 132 2HG LYS 18 3HG LYS 18 8.112 -3.456 11.827 133 1HD LYS 18 2HD LYS 18 8.314 -5.483 12.831 134 2HD LYS 18 3HD LYS 18 7.904 -6.203 11.287 135 1HE LYS 18 2HE LYS 18 10.705 -5.457 11.232 136 2HE LYS 18 3HE LYS 18 10.401 -6.359 12.703 137 1HZ LYS 18 1HZ LYS 18 9.855 -7.212 9.954 138 2HZ LYS 18 2HZ LYS 18 10.853 -7.910 11.042 139 3HZ LYS 18 3HZ LYS 18 9.235 -7.995 11.246 140 H ALA 19 HN ALA 19 7.582 -2.012 7.093 141 HA ALA 19 HA ALA 19 9.937 -0.454 7.806 142 1HB ALA 19 1HB ALA 19 8.733 -1.071 5.079 143 2HB ALA 19 2HB ALA 19 10.357 -0.424 5.417 144 3HB ALA 19 3HB ALA 19 9.944 -2.089 5.894 145 H HIS 20 HN HIS 20 6.552 -0.160 6.725 146 HA HIS 20 HA HIS 20 6.819 2.613 6.111 147 1HB HIS 20 2HB HIS 20 4.640 0.580 6.133 148 2HB HIS 20 3HB HIS 20 4.160 2.258 6.292 149 HD1 HIS 20 HD1 HIS 20 7.194 1.759 4.214 150 HD2 HIS 20 HD2 HIS 20 3.043 1.924 3.631 151 HE1 HIS 20 HE1 HIS 20 6.836 2.071 1.707 152 H ALA 21 HN ALA 21 5.879 0.604 8.911 153 HA ALA 21 HA ALA 21 4.652 2.589 10.425 154 1HB ALA 21 1HB ALA 21 5.713 -0.115 10.760 155 2HB ALA 21 2HB ALA 21 5.972 0.881 12.212 156 3HB ALA 21 3HB ALA 21 4.330 0.668 11.559 157 H GLU 22 HN GLU 22 7.908 2.291 9.330 158 HA GLU 22 HA GLU 22 9.061 3.601 11.576 159 1HB GLU 22 2HB GLU 22 10.244 3.191 8.796 160 2HB GLU 22 3HB GLU 22 11.130 3.556 10.262 161 1HG GLU 22 2HG GLU 22 9.498 1.237 10.788 162 2HG GLU 22 3HG GLU 22 10.315 0.974 9.260 163 H LYS 23 HN LYS 23 8.221 4.479 8.159 164 HA LYS 23 HA LYS 23 8.849 7.250 8.724 165 1HB LYS 23 2HB LYS 23 9.611 6.459 6.616 166 2HB LYS 23 3HB LYS 23 8.065 5.730 6.232 167 1HG LYS 23 2HG LYS 23 7.593 7.661 5.124 168 2HG LYS 23 3HG LYS 23 7.344 8.376 6.705 169 1HD LYS 23 2HD LYS 23 9.222 9.653 6.532 170 2HD LYS 23 3HD LYS 23 10.200 8.285 6.039 171 1HE LYS 23 2HE LYS 23 10.305 9.442 4.048 172 2HE LYS 23 3HE LYS 23 8.787 8.622 3.741 173 1HZ LYS 23 1HZ LYS 23 7.699 10.528 3.877 174 2HZ LYS 23 2HZ LYS 23 8.456 11.010 5.242 175 3HZ LYS 23 3HZ LYS 23 9.142 11.284 3.785 176 H LEU 24 HN LEU 24 5.992 5.268 7.674 177 HA LEU 24 HA LEU 24 4.165 7.358 7.815 178 1HB LEU 24 2HB LEU 24 3.856 4.369 8.074 179 2HB LEU 24 3HB LEU 24 2.497 5.474 8.032 180 HG LEU 24 HG LEU 24 3.324 6.286 5.789 181 1HD1 LEU 24 1HD LEU 24 5.261 4.005 6.189 182 2HD1 LEU 24 2HD LEU 24 4.822 4.618 4.577 183 3HD1 LEU 24 3HD LEU 24 5.601 5.698 5.758 184 1HD2 LEU 24 1HD LEU 24 2.836 3.404 5.370 185 2HD2 LEU 24 2HD LEU 24 1.666 4.230 6.426 186 3HD2 LEU 24 3HD LEU 24 1.948 4.827 4.773 187 H GLY 25 HN GLY 25 2.959 4.932 9.893 188 1HA GLY 25 1HA GLY 25 3.744 5.176 12.371 189 2HA GLY 25 2HA GLY 25 3.108 6.795 12.151 190 H CYS 26 HN CYS 26 1.848 3.775 10.634 191 HA CYS 26 HA CYS 26 -0.073 2.727 10.805 192 1HB CYS 26 2HB CYS 26 -1.019 3.811 13.358 193 2HB CYS 26 3HB CYS 26 -0.807 2.151 12.838 194 H ASP 27 HN ASP 27 -0.738 5.804 12.644 195 HA ASP 27 HA ASP 27 -3.172 6.343 11.835 196 1HB ASP 27 2HB ASP 27 -0.810 8.265 11.996 197 2HB ASP 27 3HB ASP 27 -2.459 8.827 11.803 198 H ALA 28 HN ALA 28 -0.223 6.412 9.857 199 HA ALA 28 HA ALA 28 -1.145 8.002 7.745 200 1HB ALA 28 1HB ALA 28 1.232 7.055 8.397 201 2HB ALA 28 2HB ALA 28 0.755 5.696 7.351 202 3HB ALA 28 3HB ALA 28 0.824 7.346 6.689 203 H CYS 29 HN CYS 29 -1.221 4.424 8.322 204 HA CYS 29 HA CYS 29 -2.848 4.137 5.941 205 1HB CYS 29 2HB CYS 29 -1.903 1.962 7.810 206 2HB CYS 29 3HB CYS 29 -2.541 1.777 6.190 207 H HIS 30 HN HIS 30 -2.896 3.439 9.508 208 HA HIS 30 HA HIS 30 -5.771 3.055 9.329 209 1HB HIS 30 2HB HIS 30 -4.159 2.753 11.847 210 2HB HIS 30 3HB HIS 30 -5.650 1.957 11.384 211 HD1 HIS 30 HD1 HIS 30 -5.473 -0.287 10.202 212 HD2 HIS 30 HD2 HIS 30 -1.797 1.715 10.474 213 HE1 HIS 30 HE1 HIS 30 -3.697 -1.947 9.428 214 H GLU 31 HN GLU 31 -6.849 3.958 11.590 215 HA GLU 31 HA GLU 31 -5.828 6.397 12.483 216 1HB GLU 31 2HB GLU 31 -7.043 6.638 9.980 217 2HB GLU 31 3HB GLU 31 -8.332 7.085 11.079 218 1HG GLU 31 2HG GLU 31 -5.618 8.253 11.634 219 2HG GLU 31 3HG GLU 31 -6.458 8.851 10.217 220 H GLY 32 HN GLY 32 -6.341 5.626 14.550 221 1HA GLY 32 1HA GLY 32 -7.754 5.629 16.350 222 2HA GLY 32 2HA GLY 32 -9.138 5.799 15.289 223 H THR 33 HN THR 33 -6.714 3.478 16.571 224 HA THR 33 HA THR 33 -6.879 1.306 17.038 225 HB THR 33 HB THR 33 -9.836 1.536 16.280 226 HG1 THR 33 HG1 THR 33 -8.866 3.159 17.855 227 1HG2 THR 33 1HG THR 33 -10.047 -0.136 18.167 228 2HG2 THR 33 2HG THR 33 -9.132 -0.781 16.784 229 3HG2 THR 33 3HG THR 33 -8.271 -0.224 18.240 230 HA PRO 34 HA PRO 34 -6.214 0.085 12.878 231 1HB PRO 34 2HB PRO 34 -4.068 -1.531 13.382 232 2HB PRO 34 3HB PRO 34 -3.920 0.182 13.045 233 1HG PRO 34 2HG PRO 34 -3.670 -1.226 15.632 234 2HG PRO 34 3HG PRO 34 -3.119 0.380 15.198 235 1HD PRO 34 2HD PRO 34 -5.433 -0.276 16.760 236 2HD PRO 34 3HD PRO 34 -4.946 1.321 16.229 237 H ALA 35 HN ALA 35 -6.349 -1.891 11.601 238 HA ALA 35 HA ALA 35 -6.872 -4.317 12.900 239 1HB ALA 35 1HB ALA 35 -9.318 -2.736 12.011 240 2HB ALA 35 2HB ALA 35 -9.320 -4.450 12.487 241 3HB ALA 35 3HB ALA 35 -8.908 -3.194 13.680 242 H LYS 36 HN LYS 36 -7.493 -6.011 11.308 243 HA LYS 36 HA LYS 36 -6.075 -5.969 9.044 244 1HB LYS 36 2HB LYS 36 -7.052 -7.963 8.580 245 2HB LYS 36 3HB LYS 36 -7.642 -7.781 10.219 246 1HG LYS 36 2HG LYS 36 -9.326 -6.474 8.129 247 2HG LYS 36 3HG LYS 36 -9.256 -8.222 8.032 248 1HD LYS 36 2HD LYS 36 -11.135 -7.515 9.472 249 2HD LYS 36 3HD LYS 36 -9.954 -8.412 10.406 250 1HE LYS 36 2HE LYS 36 -9.291 -6.554 11.630 251 2HE LYS 36 3HE LYS 36 -9.535 -5.448 10.293 252 1HZ LYS 36 1HZ LYS 36 -11.629 -6.647 11.965 253 2HZ LYS 36 2HZ LYS 36 -11.196 -5.073 11.910 254 3HZ LYS 36 3HZ LYS 36 -11.937 -5.763 10.627 255 H ILE 37 HN ILE 37 -6.320 -5.390 6.857 256 HA ILE 37 HA ILE 37 -8.596 -3.598 6.360 257 HB ILE 37 HB ILE 37 -5.741 -3.347 5.408 258 1HG1 ILE 37 2HG ILE 37 -7.303 -1.488 7.217 259 2HG1 ILE 37 3HG ILE 37 -6.247 -2.750 7.821 260 1HG2 ILE 37 1HG ILE 37 -8.250 -2.225 4.397 261 2HG2 ILE 37 2HG ILE 37 -7.029 -0.992 4.796 262 3HG2 ILE 37 3HG ILE 37 -6.636 -2.297 3.652 263 1HD1 ILE 37 1HD ILE 37 -4.971 -0.682 7.727 264 2HD1 ILE 37 2HD ILE 37 -4.361 -1.756 6.447 265 3HD1 ILE 37 3HD ILE 37 -5.449 -0.410 6.035 266 H ALA 38 HN ALA 38 -9.570 -3.696 4.279 267 HA ALA 38 HA ALA 38 -9.233 -6.286 3.040 268 1HB ALA 38 1HB ALA 38 -11.326 -4.327 3.391 269 2HB ALA 38 2HB ALA 38 -11.128 -4.674 1.656 270 3HB ALA 38 3HB ALA 38 -11.448 -6.000 2.799 271 H ILE 39 HN ILE 39 -7.199 -6.197 2.001 272 HA ILE 39 HA ILE 39 -6.861 -4.049 0.052 273 HB ILE 39 HB ILE 39 -5.046 -5.897 1.521 274 1HG1 ILE 39 2HG ILE 39 -5.559 -3.510 2.196 275 2HG1 ILE 39 3HG ILE 39 -3.864 -3.929 2.050 276 1HG2 ILE 39 1HG ILE 39 -3.284 -4.913 -0.242 277 2HG2 ILE 39 2HG ILE 39 -4.077 -6.494 -0.438 278 3HG2 ILE 39 3HG ILE 39 -4.696 -5.073 -1.313 279 1HD1 ILE 39 1HD ILE 39 -3.594 -2.242 0.569 280 2HD1 ILE 39 2HD ILE 39 -4.715 -3.062 -0.545 281 3HD1 ILE 39 3HD ILE 39 -5.337 -1.886 0.638 282 H ASP 40 HN ASP 40 -6.797 -4.410 -2.158 283 HA ASP 40 HA ASP 40 -6.293 -6.660 -3.468 284 1HB ASP 40 2HB ASP 40 -8.881 -6.883 -2.108 285 2HB ASP 40 3HB ASP 40 -9.086 -7.008 -3.845 286 H LYS 41 HN LYS 41 -7.353 -6.618 -5.786 287 HA LYS 41 HA LYS 41 -7.150 -4.192 -6.930 288 1HB LYS 41 2HB LYS 41 -7.340 -6.467 -8.026 289 2HB LYS 41 3HB LYS 41 -9.079 -6.327 -7.876 290 1HG LYS 41 2HG LYS 41 -9.116 -4.313 -9.257 291 2HG LYS 41 3HG LYS 41 -7.367 -4.203 -9.241 292 1HD LYS 41 2HD LYS 41 -7.687 -5.231 -11.308 293 2HD LYS 41 3HD LYS 41 -7.489 -6.647 -10.294 294 1HE LYS 41 2HE LYS 41 -9.745 -7.224 -10.401 295 2HE LYS 41 3HE LYS 41 -10.280 -5.561 -10.549 296 1HZ LYS 41 1HZ LYS 41 -9.613 -5.531 -12.791 297 2HZ LYS 41 2HZ LYS 41 -8.834 -6.962 -12.684 298 3HZ LYS 41 3HZ LYS 41 -10.464 -6.912 -12.591 299 H LYS 42 HN LYS 42 -8.887 -2.804 -8.003 300 HA LYS 42 HA LYS 42 -10.766 -1.612 -7.942 301 1HB LYS 42 2HB LYS 42 -11.657 -4.019 -6.887 302 2HB LYS 42 3HB LYS 42 -12.123 -2.856 -5.662 303 1HG LYS 42 2HG LYS 42 -13.448 -1.586 -7.187 304 2HG LYS 42 3HG LYS 42 -12.658 -2.273 -8.593 305 1HD LYS 42 2HD LYS 42 -14.356 -3.772 -8.716 306 2HD LYS 42 3HD LYS 42 -13.718 -4.519 -7.265 307 1HE LYS 42 2HE LYS 42 -15.089 -2.877 -5.887 308 2HE LYS 42 3HE LYS 42 -15.800 -2.284 -7.374 309 1HZ LYS 42 1HZ LYS 42 -15.879 -5.131 -7.069 310 2HZ LYS 42 2HZ LYS 42 -16.765 -4.310 -5.970 311 3HZ LYS 42 3HZ LYS 42 -17.047 -4.103 -7.565 312 H SER 43 HN SER 43 -10.322 -2.577 -4.467 313 HA SER 43 HA SER 43 -10.563 0.076 -3.629 314 1HB SER 43 2HB SER 43 -9.604 -2.476 -2.291 315 2HB SER 43 3HB SER 43 -9.579 -0.946 -1.437 316 HG SER 43 HG SER 43 -11.581 -1.670 -0.934 317 H ALA 44 HN ALA 44 -7.692 -2.159 -3.369 318 HA ALA 44 HA ALA 44 -5.851 -0.185 -2.784 319 1HB ALA 44 1HB ALA 44 -5.744 -2.959 -3.957 320 2HB ALA 44 2HB ALA 44 -4.260 -1.980 -3.882 321 3HB ALA 44 3HB ALA 44 -5.145 -2.371 -2.388 322 H HIS 45 HN HIS 45 -7.600 -0.777 -5.705 323 HA HIS 45 HA HIS 45 -5.591 0.705 -7.230 324 1HB HIS 45 2HB HIS 45 -7.503 -1.450 -7.885 325 2HB HIS 45 3HB HIS 45 -7.421 -0.162 -9.071 326 HD1 HIS 45 HD1 HIS 45 -5.754 -0.614 -10.862 327 HD2 HIS 45 HD2 HIS 45 -4.606 -2.303 -7.198 328 HE1 HIS 45 HE1 HIS 45 -3.549 -1.824 -11.291 329 H LYS 46 HN LYS 46 -7.847 1.544 -5.192 330 HA LYS 46 HA LYS 46 -8.893 3.642 -6.950 331 1HB LYS 46 2HB LYS 46 -10.714 2.103 -6.713 332 2HB LYS 46 3HB LYS 46 -10.460 1.955 -4.986 333 1HG LYS 46 2HG LYS 46 -11.109 4.291 -4.622 334 2HG LYS 46 3HG LYS 46 -11.163 4.596 -6.346 335 1HD LYS 46 2HD LYS 46 -13.127 3.288 -6.651 336 2HD LYS 46 3HD LYS 46 -12.894 2.409 -5.154 337 1HE LYS 46 2HE LYS 46 -13.268 5.398 -4.975 338 2HE LYS 46 3HE LYS 46 -14.675 4.425 -5.357 339 1HZ LYS 46 1HZ LYS 46 -14.792 3.887 -3.243 340 2HZ LYS 46 2HZ LYS 46 -13.315 3.189 -3.283 341 3HZ LYS 46 3HZ LYS 46 -13.462 4.767 -2.892 342 H ASP 47 HN ASP 47 -9.708 3.156 -3.519 343 HA ASP 47 HA ASP 47 -7.914 5.381 -2.937 344 1HB ASP 47 2HB ASP 47 -10.788 4.882 -2.261 345 2HB ASP 47 3HB ASP 47 -9.814 5.534 -0.957 346 H ALA 48 HN ALA 48 -6.510 3.267 -2.553 347 HA ALA 48 HA ALA 48 -6.710 2.641 0.277 348 1HB ALA 48 1HB ALA 48 -6.079 0.175 -0.877 349 2HB ALA 48 2HB ALA 48 -7.632 0.624 -0.133 350 3HB ALA 48 3HB ALA 48 -7.403 0.796 -1.890 351 H CYS 49 HN CYS 49 -4.980 2.265 -2.877 352 HA CYS 49 HA CYS 49 -2.486 2.413 -1.348 353 1HB CYS 49 2HB CYS 49 -3.340 0.642 -3.443 354 2HB CYS 49 3HB CYS 49 -1.966 1.575 -4.003 355 H LYS 50 HN LYS 50 -3.650 3.064 -4.740 356 HA LYS 50 HA LYS 50 -1.927 4.981 -5.458 357 1HB LYS 50 2HB LYS 50 -4.896 4.798 -6.029 358 2HB LYS 50 3HB LYS 50 -3.826 5.919 -6.847 359 1HG LYS 50 2HG LYS 50 -2.413 4.025 -7.634 360 2HG LYS 50 3HG LYS 50 -3.433 2.890 -6.774 361 1HD LYS 50 2HD LYS 50 -5.254 3.189 -8.248 362 2HD LYS 50 3HD LYS 50 -4.714 4.774 -8.763 363 1HE LYS 50 2HE LYS 50 -3.103 3.904 -10.247 364 2HE LYS 50 3HE LYS 50 -2.947 2.397 -9.365 365 1HZ LYS 50 1HZ LYS 50 -5.501 3.039 -10.600 366 2HZ LYS 50 2HZ LYS 50 -4.286 2.491 -11.542 367 3HZ LYS 50 3HZ LYS 50 -4.835 1.577 -10.306 368 H THR 51 HN THR 51 -5.061 5.647 -3.736 369 HA THR 51 HA THR 51 -4.922 8.304 -3.420 370 HB THR 51 HB THR 51 -6.755 6.937 -2.544 371 HG1 THR 51 HG1 THR 51 -5.187 8.105 -0.357 372 1HG2 THR 51 1HG THR 51 -5.091 5.074 -1.678 373 2HG2 THR 51 2HG THR 51 -4.978 6.094 -0.225 374 3HG2 THR 51 3HG THR 51 -6.549 5.421 -0.720 375 H CYS 52 HN CYS 52 -3.259 5.975 -1.186 376 HA CYS 52 HA CYS 52 -1.733 8.233 -0.183 377 1HB CYS 52 2HB CYS 52 -2.764 6.740 1.447 378 2HB CYS 52 3HB CYS 52 -1.915 5.366 0.766 379 H HIS 53 HN HIS 53 -0.035 8.718 -1.566 380 HA HIS 53 HA HIS 53 2.216 7.333 -1.720 381 1HB HIS 53 2HB HIS 53 0.217 6.014 -3.404 382 2HB HIS 53 3HB HIS 53 1.657 6.458 -4.298 383 HD1 HIS 53 HD1 HIS 53 1.998 3.776 -4.450 384 HD2 HIS 53 HD2 HIS 53 2.476 5.497 -0.655 385 HE1 HIS 53 HE1 HIS 53 3.229 2.048 -3.032 386 H LYS 54 HN LYS 54 -0.183 8.909 -3.924 387 HA LYS 54 HA LYS 54 1.510 10.161 -5.637 388 1HB LYS 54 2HB LYS 54 -1.134 11.011 -4.450 389 2HB LYS 54 3HB LYS 54 -0.313 11.982 -5.655 390 1HG LYS 54 2HG LYS 54 -0.387 10.196 -7.289 391 2HG LYS 54 3HG LYS 54 -0.858 9.014 -6.085 392 1HD LYS 54 2HD LYS 54 -2.730 11.285 -6.154 393 2HD LYS 54 3HD LYS 54 -2.589 10.521 -7.726 394 1HE LYS 54 2HE LYS 54 -2.722 8.378 -5.851 395 2HE LYS 54 3HE LYS 54 -3.925 9.537 -5.322 396 1HZ LYS 54 1HZ LYS 54 -4.544 9.572 -7.792 397 2HZ LYS 54 2HZ LYS 54 -3.751 8.146 -7.873 398 3HZ LYS 54 3HZ LYS 54 -5.034 8.311 -6.877 399 H SER 55 HN SER 55 0.938 10.838 -2.202 400 HA SER 55 HA SER 55 2.433 13.294 -2.423 401 1HB SER 55 2HB SER 55 0.458 12.207 -0.605 402 2HB SER 55 3HB SER 55 1.891 12.627 0.312 403 HG SER 55 HG SER 55 1.744 14.741 -1.037 404 H ASN 56 HN ASN 56 4.304 11.767 -3.222 405 HA ASN 56 HA ASN 56 6.283 11.773 -1.408 406 1HB ASN 56 2HB ASN 56 5.304 10.072 -0.020 407 2HB ASN 56 3HB ASN 56 4.759 9.136 -1.398 408 1HD2 ASN 56 1HD ASN 56 5.822 7.340 -1.655 409 2HD2 ASN 56 2HD ASN 56 7.507 7.058 -1.373 410 H ASN 57 HN ASN 57 5.506 8.703 -3.132 411 HA ASN 57 HA ASN 57 7.507 9.456 -5.106 412 1HB ASN 57 2HB ASN 57 7.331 7.174 -3.495 413 2HB ASN 57 3HB ASN 57 6.638 6.611 -5.003 414 1HD2 ASN 57 1HD ASN 57 9.238 6.161 -3.533 415 2HD2 ASN 57 2HD ASN 57 10.486 6.399 -4.710 416 H GLY 58 HN GLY 58 4.290 7.906 -4.522 417 1HA GLY 58 1HA GLY 58 2.480 7.652 -5.828 418 2HA GLY 58 2HA GLY 58 3.094 8.952 -6.829 419 HA PRO 59 HA PRO 59 4.928 5.009 -8.683 420 1HB PRO 59 2HB PRO 59 4.630 2.595 -7.436 421 2HB PRO 59 3HB PRO 59 6.043 3.610 -7.233 422 1HG PRO 59 2HG PRO 59 3.807 3.150 -5.355 423 2HG PRO 59 3HG PRO 59 5.402 3.798 -5.027 424 1HD PRO 59 2HD PRO 59 2.957 5.283 -5.239 425 2HD PRO 59 3HD PRO 59 4.567 5.940 -5.025 426 H THR 60 HN THR 60 2.629 6.082 -9.354 427 HA THR 60 HA THR 60 0.842 3.795 -9.799 428 HB THR 60 HB THR 60 -0.211 5.702 -8.690 429 HG1 THR 60 HG1 THR 60 -1.128 4.598 -10.740 430 1HG2 THR 60 1HG THR 60 1.204 7.265 -10.878 431 2HG2 THR 60 2HG THR 60 -0.337 7.868 -10.224 432 3HG2 THR 60 3HG THR 60 1.064 7.651 -9.147 433 H LYS 61 HN LYS 61 3.017 3.408 -11.281 434 HA LYS 61 HA LYS 61 2.011 4.033 -13.940 435 1HB LYS 61 2HB LYS 61 3.974 4.979 -14.752 436 2HB LYS 61 3HB LYS 61 3.777 5.747 -13.190 437 1HG LYS 61 2HG LYS 61 5.262 3.743 -12.300 438 2HG LYS 61 3HG LYS 61 5.718 3.556 -13.981 439 1HD LYS 61 2HD LYS 61 5.867 6.365 -13.360 440 2HD LYS 61 3HD LYS 61 6.674 5.501 -12.066 441 1HE LYS 61 2HE LYS 61 8.202 4.423 -13.593 442 2HE LYS 61 3HE LYS 61 7.241 4.865 -14.991 443 1HZ LYS 61 1HZ LYS 61 8.641 6.567 -15.091 444 2HZ LYS 61 2HZ LYS 61 7.767 7.236 -13.885 445 3HZ LYS 61 3HZ LYS 61 9.141 6.425 -13.543 446 H CYS 62 HN CYS 62 1.871 1.673 -12.222 447 HA CYS 62 HA CYS 62 2.078 -0.502 -12.458 448 1HB CYS 62 2HB CYS 62 2.877 0.430 -15.129 449 2HB CYS 62 3HB CYS 62 3.535 -1.137 -14.698 450 H GLY 63 HN GLY 63 5.144 0.703 -14.018 451 1HA GLY 63 1HA GLY 63 6.886 -1.063 -12.836 452 2HA GLY 63 2HA GLY 63 7.297 0.547 -13.391 453 H GLY 64 HN GLY 64 5.133 1.613 -11.376 454 1HA GLY 64 1HA GLY 64 6.933 2.263 -9.303 455 2HA GLY 64 2HA GLY 64 5.206 2.559 -9.337 456 H CYS 65 HN CYS 65 3.833 0.358 -9.135 457 HA CYS 65 HA CYS 65 4.812 -0.840 -6.690 458 1HB CYS 65 2HB CYS 65 2.128 -1.186 -8.039 459 2HB CYS 65 3HB CYS 65 2.565 -1.698 -6.421 460 H HIS 66 HN HIS 66 3.419 -1.835 -9.906 461 HA HIS 66 HA HIS 66 4.422 -4.508 -9.490 462 1HB HIS 66 2HB HIS 66 2.831 -3.256 -11.745 463 2HB HIS 66 3HB HIS 66 3.300 -4.943 -11.685 464 HD1 HIS 66 HD1 HIS 66 1.753 -6.514 -10.460 465 HD2 HIS 66 HD2 HIS 66 1.038 -2.490 -9.514 466 HE1 HIS 66 HE1 HIS 66 -0.354 -6.482 -9.023 467 H ILE 67 HN ILE 67 6.635 -4.621 -9.674 468 HA ILE 67 HA ILE 67 7.993 -3.035 -11.637 469 HB ILE 67 HB ILE 67 9.053 -5.250 -9.881 470 1HG1 ILE 67 2HG ILE 67 9.153 -2.309 -9.218 471 2HG1 ILE 67 3HG ILE 67 7.793 -3.301 -8.730 472 1HG2 ILE 67 1HG ILE 67 10.349 -4.248 -11.944 473 2HG2 ILE 67 2HG ILE 67 10.654 -2.902 -10.821 474 3HG2 ILE 67 3HG ILE 67 11.174 -4.550 -10.395 475 1HD1 ILE 67 1HD ILE 67 9.820 -4.927 -7.915 476 2HD1 ILE 67 2HD ILE 67 10.621 -3.346 -7.763 477 3HD1 ILE 67 3HD ILE 67 9.110 -3.666 -6.878 478 H LYS 68 HN LYS 68 6.554 -3.939 -13.427 479 HA LYS 68 HA LYS 68 6.172 -5.327 -15.117 480 1HB LYS 68 2HB LYS 68 8.937 -4.679 -15.015 481 2HB LYS 68 3HB LYS 68 8.827 -6.347 -15.540 482 1HG LYS 68 2HG LYS 68 6.798 -5.232 -17.027 483 2HG LYS 68 3HG LYS 68 7.882 -3.860 -16.902 484 1HD LYS 68 2HD LYS 68 9.776 -5.432 -17.657 485 2HD LYS 68 3HD LYS 68 8.543 -6.627 -18.005 486 1HE LYS 68 2HE LYS 68 7.582 -5.326 -19.747 487 2HE LYS 68 3HE LYS 68 8.278 -3.832 -19.152 488 1HZ LYS 68 1HZ LYS 68 10.391 -4.502 -19.874 489 2HZ LYS 68 2HZ LYS 68 9.922 -6.038 -20.167 490 3HZ LYS 68 3HZ LYS 68 9.383 -4.826 -21.118 491 HHA HEC 98 HGM HEC 98 -4.117 -5.296 9.320 492 HHB HEC 98 HDM HEC 98 -1.884 -2.226 14.275 493 HHC HEC 98 HAM HEC 98 1.776 1.175 10.383 494 HHD HEC 98 HBM HEC 98 -0.903 -1.675 5.534 495 1HMA HEC 98 1HM HEC 98 -2.402 -5.122 14.842 496 2HMA HEC 98 2HM HEC 98 -3.528 -3.753 15.007 497 3HMA HEC 98 3HM HEC 98 -4.139 -5.355 14.535 498 1HAA HEC 98 1HA HEC 98 -4.711 -6.525 12.778 499 2HAA HEC 98 2HA HEC 98 -5.169 -6.062 11.121 500 1HBA HEC 98 3HB HEC 98 -4.130 -8.125 10.660 501 2HBA HEC 98 4HB HEC 98 -2.707 -7.061 10.567 502 1HMB HEC 98 1HM HEC 98 0.385 0.126 15.649 503 2HMB HEC 98 2HM HEC 98 -1.175 0.847 15.190 504 3HMB HEC 98 3HM HEC 98 -1.058 -0.903 15.489 505 HAB HEC 98 HT2 HEC 98 2.087 1.913 12.233 506 1HBB HEC 98 1HT HEC 98 3.283 0.034 13.362 507 2HBB HEC 98 2HT HEC 98 3.777 1.716 13.671 508 3HBB HEC 98 3HT HEC 98 2.815 0.834 14.881 509 1HMC HEC 98 1HM HEC 98 2.235 2.535 8.832 510 2HMC HEC 98 2HM HEC 98 3.391 1.438 8.041 511 3HMC HEC 98 3HM HEC 98 2.352 2.496 7.057 512 HAC HEC 98 HT4 HEC 98 -0.331 1.003 5.088 513 1HBC HEC 98 1HT HEC 98 1.593 -1.172 4.955 514 2HBC HEC 98 2HT HEC 98 0.373 -0.668 3.761 515 3HBC HEC 98 3HT HEC 98 1.988 0.080 3.752 516 1HMD HEC 98 1HM HEC 98 -1.800 -4.121 4.133 517 2HMD HEC 98 2HM HEC 98 -3.534 -3.727 4.173 518 3HMD HEC 98 3HM HEC 98 -2.327 -2.421 4.172 519 1HAD HEC 98 1HA HEC 98 -4.243 -6.196 7.243 520 2HAD HEC 98 2HA HEC 98 -4.687 -5.321 5.759 521 1HBD HEC 98 3HB HEC 98 -2.109 -6.021 5.225 522 2HBD HEC 98 4HB HEC 98 -2.665 -7.398 6.208 523 HHA HEC 128 HGM HEC 128 8.078 3.813 -0.601 524 HHB HEC 128 HDM HEC 128 4.371 -0.748 -2.704 525 HHC HEC 128 HAM HEC 128 -0.198 1.331 1.157 526 HHD HEC 128 HBM HEC 128 3.483 6.086 2.790 527 1HMA HEC 128 1HM HEC 128 8.227 -0.618 -3.332 528 2HMA HEC 128 2HM HEC 128 6.990 -1.627 -2.544 529 3HMA HEC 128 3HM HEC 128 6.579 -0.690 -4.000 530 1HAA HEC 128 1HA HEC 128 9.416 1.064 -2.670 531 2HAA HEC 128 2HA HEC 128 9.205 2.723 -2.064 532 1HBA HEC 128 3HB HEC 128 9.772 2.118 0.172 533 2HBA HEC 128 4HB HEC 128 9.372 0.404 -0.089 534 1HMB HEC 128 1HM HEC 128 1.527 -2.606 -2.476 535 2HMB HEC 128 2HM HEC 128 1.085 -1.286 -3.585 536 3HMB HEC 128 3HM HEC 128 2.797 -1.709 -3.343 537 HAB HEC 128 HT2 HEC 128 -1.126 -0.028 -0.315 538 1HBB HEC 128 1HT HEC 128 -1.269 -1.262 1.387 539 2HBB HEC 128 2HT HEC 128 -1.016 -2.704 0.374 540 3HBB HEC 128 3HT HEC 128 0.375 -1.892 1.130 541 1HMC HEC 128 1HM HEC 128 -1.552 2.488 2.032 542 2HMC HEC 128 2HM HEC 128 -1.088 2.680 3.738 543 3HMC HEC 128 3HM HEC 128 -1.702 4.075 2.822 544 HAC HEC 128 HT4 HEC 128 1.503 6.486 3.630 545 1HBC HEC 128 1HT HEC 128 -0.843 4.811 4.448 546 2HBC HEC 128 2HT HEC 128 0.317 5.722 5.444 547 3HBC HEC 128 3HT HEC 128 -1.005 6.576 4.613 548 1HMD HEC 128 1HM HEC 128 4.767 7.854 2.610 549 2HMD HEC 128 2HM HEC 128 5.951 7.138 3.728 550 3HMD HEC 128 3HM HEC 128 6.509 8.062 2.314 551 1HAD HEC 128 1HA HEC 128 8.916 5.532 0.613 552 2HAD HEC 128 2HA HEC 128 8.292 7.098 1.186 553 1HBD HEC 128 3HB HEC 128 9.053 6.717 3.228 554 2HBD HEC 128 4HB HEC 128 8.228 5.141 3.305 555 HHA HEC 158 HGM HEC 158 -3.442 -7.305 -7.167 556 HHB HEC 158 HDM HEC 158 -2.305 -5.663 -13.081 557 HHC HEC 158 HAM HEC 158 -0.519 0.059 -11.035 558 HHD HEC 158 HBM HEC 158 -1.270 -1.912 -5.173 559 1HMA HEC 158 1HM HEC 158 -4.714 -8.528 -12.141 560 2HMA HEC 158 2HM HEC 158 -4.046 -7.223 -13.151 561 3HMA HEC 158 3HM HEC 158 -3.004 -8.570 -12.635 562 1HAA HEC 158 1HA HEC 158 -4.498 -8.560 -8.134 563 2HAA HEC 158 2HA HEC 158 -5.503 -8.702 -9.595 564 1HBA HEC 158 3HB HEC 158 -3.916 -10.161 -10.681 565 2HBA HEC 158 4HB HEC 158 -2.619 -9.732 -9.541 566 1HMB HEC 158 1HM HEC 158 -0.306 -4.643 -14.618 567 2HMB HEC 158 2HM HEC 158 -2.011 -4.310 -15.001 568 3HMB HEC 158 3HM HEC 158 -0.759 -3.108 -15.394 569 HAB HEC 158 HT2 HEC 158 0.236 -0.201 -13.140 570 1HBB HEC 158 1HT HEC 158 -2.085 0.545 -12.942 571 2HBB HEC 158 2HT HEC 158 -1.095 1.278 -14.227 572 3HBB HEC 158 3HT HEC 158 -2.310 0.044 -14.635 573 1HMC HEC 158 1HM HEC 158 -0.750 2.288 -9.215 574 2HMC HEC 158 2HM HEC 158 0.793 2.093 -8.352 575 3HMC HEC 158 3HM HEC 158 0.620 1.482 -10.013 576 HAC HEC 158 HT4 HEC 158 -0.169 -0.063 -5.082 577 1HBC HEC 158 1HT HEC 158 0.354 2.620 -6.396 578 2HBC HEC 158 2HT HEC 158 -1.295 2.096 -5.976 579 3HBC HEC 158 3HT HEC 158 -0.065 2.267 -4.702 580 1HMD HEC 158 1HM HEC 158 -2.664 -2.929 -3.194 581 2HMD HEC 158 2HM HEC 158 -2.124 -4.567 -2.758 582 3HMD HEC 158 3HM HEC 158 -0.940 -3.358 -3.310 583 1HAD HEC 158 1HA HEC 158 -3.187 -6.151 -3.355 584 2HAD HEC 158 2HA HEC 158 -4.604 -6.178 -4.432 585 1HBD HEC 158 3HB HEC 158 -2.426 -7.796 -5.466 586 2HBD HEC 158 4HB HEC 158 -2.923 -8.297 -3.833 Start of MODEL 27 1 H ALA 1 HN ALA 1 1.801 -5.073 5.922 2 HA ALA 1 HA ALA 1 -0.025 -6.603 7.290 3 1HB ALA 1 1HB ALA 1 0.424 -7.495 4.427 4 2HB ALA 1 2HB ALA 1 -0.020 -8.645 5.711 5 3HB ALA 1 3HB ALA 1 -1.113 -7.300 5.303 6 H ASP 2 HN ASP 2 2.195 -5.811 8.282 7 HA ASP 2 HA ASP 2 4.162 -6.287 9.068 8 1HB ASP 2 2HB ASP 2 2.773 -8.896 8.831 9 2HB ASP 2 3HB ASP 2 4.515 -9.054 8.914 10 H VAL 3 HN VAL 3 4.010 -5.762 6.181 11 HA VAL 3 HA VAL 3 5.350 -5.748 4.422 12 HB VAL 3 HB VAL 3 7.137 -7.156 6.383 13 1HG1 VAL 3 1HG VAL 3 8.767 -6.413 4.239 14 2HG1 VAL 3 2HG VAL 3 8.324 -8.068 4.722 15 3HG1 VAL 3 3HG VAL 3 7.373 -7.217 3.480 16 1HG2 VAL 3 1HG VAL 3 7.749 -4.580 4.966 17 2HG2 VAL 3 2HG VAL 3 6.561 -4.590 6.292 18 3HG2 VAL 3 3HG VAL 3 8.230 -5.131 6.589 19 H VAL 4 HN VAL 4 4.040 -6.833 2.973 20 HA VAL 4 HA VAL 4 4.370 -9.752 2.920 21 HB VAL 4 HB VAL 4 2.087 -7.908 2.346 22 1HG1 VAL 4 1HG VAL 4 2.188 -9.011 0.246 23 2HG1 VAL 4 2HG VAL 4 2.571 -10.578 1.000 24 3HG1 VAL 4 3HG VAL 4 0.948 -9.870 1.190 25 1HG2 VAL 4 1HG VAL 4 2.553 -9.375 4.486 26 2HG2 VAL 4 2HG VAL 4 0.907 -9.231 3.825 27 3HG2 VAL 4 3HG VAL 4 1.880 -10.680 3.480 28 H THR 5 HN THR 5 4.486 -10.758 0.757 29 HA THR 5 HA THR 5 5.244 -8.931 -1.389 30 HB THR 5 HB THR 5 7.027 -11.092 -0.156 31 HG1 THR 5 HG1 THR 5 7.106 -8.930 0.764 32 1HG2 THR 5 1HG THR 5 7.423 -9.413 -2.690 33 2HG2 THR 5 2HG THR 5 8.659 -10.447 -1.934 34 3HG2 THR 5 3HG THR 5 7.205 -11.179 -2.653 35 H TYR 6 HN TYR 6 3.107 -9.605 -2.142 36 HA TYR 6 HA TYR 6 2.622 -12.346 -2.685 37 1HB TYR 6 2HB TYR 6 1.537 -9.626 -3.628 38 2HB TYR 6 3HB TYR 6 0.815 -11.128 -4.168 39 HD1 TYR 6 HD1 TYR 6 0.535 -12.820 -1.913 40 HD2 TYR 6 HD2 TYR 6 0.238 -8.554 -2.043 41 HE1 TYR 6 HE1 TYR 6 -0.937 -12.852 0.161 42 HE2 TYR 6 HE2 TYR 6 -1.232 -8.601 0.030 43 HH TYR 6 HH TYR 6 -2.540 -11.535 1.248 44 H GLU 7 HN GLU 7 2.453 -13.373 -4.794 45 HA GLU 7 HA GLU 7 4.089 -12.042 -6.804 46 1HB GLU 7 2HB GLU 7 4.190 -15.010 -6.106 47 2HB GLU 7 3HB GLU 7 5.116 -14.226 -7.370 48 1HG GLU 7 2HG GLU 7 5.993 -12.655 -5.449 49 2HG GLU 7 3HG GLU 7 5.378 -13.886 -4.363 50 H ASN 8 HN ASN 8 2.645 -11.530 -8.405 51 HA ASN 8 HA ASN 8 0.659 -13.569 -9.026 52 1HB ASN 8 2HB ASN 8 -0.494 -11.576 -10.231 53 2HB ASN 8 3HB ASN 8 -0.487 -11.532 -8.478 54 1HD2 ASN 8 1HD ASN 8 0.820 -10.104 -7.373 55 2HD2 ASN 8 2HD ASN 8 1.586 -8.738 -8.115 56 H LYS 9 HN LYS 9 -0.069 -12.867 -11.610 57 HA LYS 9 HA LYS 9 2.396 -13.377 -13.071 58 1HB LYS 9 2HB LYS 9 -0.529 -13.827 -13.600 59 2HB LYS 9 3HB LYS 9 0.593 -13.755 -14.944 60 1HG LYS 9 2HG LYS 9 1.873 -15.619 -14.127 61 2HG LYS 9 3HG LYS 9 1.152 -15.523 -12.533 62 1HD LYS 9 2HD LYS 9 -0.102 -17.276 -13.395 63 2HD LYS 9 3HD LYS 9 -1.122 -15.940 -13.892 64 1HE LYS 9 2HE LYS 9 0.301 -15.922 -16.090 65 2HE LYS 9 3HE LYS 9 0.871 -17.500 -15.581 66 1HZ LYS 9 1HZ LYS 9 -1.215 -18.383 -15.776 67 2HZ LYS 9 2HZ LYS 9 -1.992 -16.955 -15.616 68 3HZ LYS 9 3HZ LYS 9 -1.224 -17.315 -17.011 69 H LYS 10 HN LYS 10 1.911 -10.725 -11.911 70 HA LYS 10 HA LYS 10 2.417 -9.214 -14.258 71 1HB LYS 10 2HB LYS 10 -0.036 -9.347 -14.432 72 2HB LYS 10 3HB LYS 10 -0.200 -8.680 -12.821 73 1HG LYS 10 2HG LYS 10 -0.458 -6.797 -14.252 74 2HG LYS 10 3HG LYS 10 1.189 -6.664 -13.667 75 1HD LYS 10 2HD LYS 10 1.230 -6.278 -16.064 76 2HD LYS 10 3HD LYS 10 1.985 -7.832 -15.767 77 1HE LYS 10 2HE LYS 10 0.481 -8.828 -17.139 78 2HE LYS 10 3HE LYS 10 -0.822 -8.336 -16.075 79 1HZ LYS 10 1HZ LYS 10 -0.717 -6.151 -17.237 80 2HZ LYS 10 2HZ LYS 10 0.282 -6.831 -18.335 81 3HZ LYS 10 3HZ LYS 10 -1.240 -7.396 -18.157 82 H GLY 11 HN GLY 11 4.238 -9.538 -12.465 83 1HA GLY 11 1HA GLY 11 5.652 -8.177 -11.284 84 2HA GLY 11 2HA GLY 11 4.378 -6.990 -11.088 85 H ASN 12 HN ASN 12 5.853 -7.435 -8.866 86 HA ASN 12 HA ASN 12 4.045 -9.063 -7.266 87 1HB ASN 12 2HB ASN 12 5.955 -9.796 -5.879 88 2HB ASN 12 3HB ASN 12 6.258 -10.226 -7.551 89 1HD2 ASN 12 1HD ASN 12 7.492 -8.801 -4.825 90 2HD2 ASN 12 2HD ASN 12 8.813 -7.904 -5.495 91 H VAL 13 HN VAL 13 3.193 -7.864 -5.542 92 HA VAL 13 HA VAL 13 4.276 -5.201 -5.136 93 HB VAL 13 HB VAL 13 1.863 -5.605 -5.530 94 1HG1 VAL 13 1HG VAL 13 0.470 -6.575 -3.780 95 2HG1 VAL 13 2HG VAL 13 1.684 -7.759 -4.326 96 3HG1 VAL 13 3HG VAL 13 1.909 -6.899 -2.783 97 1HG2 VAL 13 1HG VAL 13 1.294 -3.809 -4.271 98 2HG2 VAL 13 2HG VAL 13 1.900 -4.536 -2.763 99 3HG2 VAL 13 3HG VAL 13 3.036 -3.780 -3.905 100 H THR 14 HN THR 14 5.749 -4.804 -3.575 101 HA THR 14 HA THR 14 6.005 -6.788 -1.433 102 HB THR 14 HB THR 14 7.855 -4.594 -2.508 103 HG1 THR 14 HG1 THR 14 8.959 -6.630 -3.191 104 1HG2 THR 14 1HG THR 14 8.458 -6.857 -0.536 105 2HG2 THR 14 2HG THR 14 9.585 -5.599 -1.099 106 3HG2 THR 14 3HG THR 14 8.222 -5.164 -0.039 107 H PHE 15 HN PHE 15 3.944 -5.959 -0.483 108 HA PHE 15 HA PHE 15 3.434 -3.470 0.365 109 1HB PHE 15 2HB PHE 15 2.969 -6.275 1.247 110 2HB PHE 15 3HB PHE 15 2.888 -5.156 2.593 111 HD1 PHE 15 HD1 PHE 15 1.915 -4.078 -0.767 112 HD2 PHE 15 HD2 PHE 15 0.530 -5.599 2.945 113 HE1 PHE 15 HE1 PHE 15 -0.440 -3.484 -1.402 114 HE2 PHE 15 HE2 PHE 15 -1.825 -5.005 2.310 115 HZ PHE 15 HZ PHE 15 -2.281 -3.954 0.144 116 H ASP 16 HN ASP 16 3.633 -2.430 2.564 117 HA ASP 16 HA ASP 16 6.021 -3.234 3.971 118 1HB ASP 16 2HB ASP 16 5.664 -0.298 3.362 119 2HB ASP 16 3HB ASP 16 7.131 -1.161 3.776 120 H HIS 17 HN HIS 17 4.984 -3.582 5.966 121 HA HIS 17 HA HIS 17 3.222 -1.428 6.885 122 1HB HIS 17 2HB HIS 17 1.953 -3.435 6.569 123 2HB HIS 17 3HB HIS 17 3.145 -4.405 7.410 124 HD1 HIS 17 HD1 HIS 17 3.556 -3.037 10.043 125 HD2 HIS 17 HD2 HIS 17 -0.210 -3.245 8.207 126 HE1 HIS 17 HE1 HIS 17 1.836 -2.722 11.902 127 H LYS 18 HN LYS 18 5.655 -3.918 7.886 128 HA LYS 18 HA LYS 18 6.020 -2.689 10.434 129 1HB LYS 18 2HB LYS 18 6.314 -5.158 9.804 130 2HB LYS 18 3HB LYS 18 7.851 -4.693 9.105 131 1HG LYS 18 2HG LYS 18 7.734 -3.452 11.683 132 2HG LYS 18 3HG LYS 18 7.174 -5.098 11.904 133 1HD LYS 18 2HD LYS 18 9.608 -4.743 10.183 134 2HD LYS 18 3HD LYS 18 9.811 -4.412 11.892 135 1HE LYS 18 2HE LYS 18 8.994 -6.649 12.489 136 2HE LYS 18 3HE LYS 18 8.555 -6.983 10.825 137 1HZ LYS 18 1HZ LYS 18 10.763 -7.835 11.668 138 2HZ LYS 18 2HZ LYS 18 10.763 -7.094 10.212 139 3HZ LYS 18 3HZ LYS 18 11.308 -6.301 11.531 140 H ALA 19 HN ALA 19 7.271 -2.248 7.182 141 HA ALA 19 HA ALA 19 9.604 -0.820 8.128 142 1HB ALA 19 1HB ALA 19 9.149 -0.483 5.325 143 2HB ALA 19 2HB ALA 19 10.367 -1.501 6.131 144 3HB ALA 19 3HB ALA 19 8.767 -2.172 5.735 145 H HIS 20 HN HIS 20 6.375 -0.210 6.667 146 HA HIS 20 HA HIS 20 6.837 2.563 6.351 147 1HB HIS 20 2HB HIS 20 4.440 0.754 6.213 148 2HB HIS 20 3HB HIS 20 4.219 2.492 6.215 149 HD1 HIS 20 HD1 HIS 20 7.337 1.767 4.502 150 HD2 HIS 20 HD2 HIS 20 3.272 1.730 3.468 151 HE1 HIS 20 HE1 HIS 20 7.247 1.824 1.952 152 H ALA 21 HN ALA 21 5.168 0.518 8.824 153 HA ALA 21 HA ALA 21 4.102 2.458 10.399 154 1HB ALA 21 1HB ALA 21 3.594 0.297 11.056 155 2HB ALA 21 2HB ALA 21 5.271 -0.269 10.875 156 3HB ALA 21 3HB ALA 21 4.813 0.719 12.282 157 H GLU 22 HN GLU 22 7.488 1.762 9.771 158 HA GLU 22 HA GLU 22 8.467 2.951 12.124 159 1HB GLU 22 2HB GLU 22 9.896 2.590 9.454 160 2HB GLU 22 3HB GLU 22 10.655 2.822 11.016 161 1HG GLU 22 2HG GLU 22 8.851 0.619 11.322 162 2HG GLU 22 3HG GLU 22 9.692 0.357 9.807 163 H LYS 23 HN LYS 23 8.132 4.080 8.687 164 HA LYS 23 HA LYS 23 8.920 6.742 9.455 165 1HB LYS 23 2HB LYS 23 8.272 5.336 6.884 166 2HB LYS 23 3HB LYS 23 8.227 7.086 6.935 167 1HG LYS 23 2HG LYS 23 10.620 6.113 8.298 168 2HG LYS 23 3HG LYS 23 10.527 5.421 6.692 169 1HD LYS 23 2HD LYS 23 11.451 7.389 5.994 170 2HD LYS 23 3HD LYS 23 9.833 8.041 6.163 171 1HE LYS 23 2HE LYS 23 10.991 8.072 8.783 172 2HE LYS 23 3HE LYS 23 12.220 8.685 7.693 173 1HZ LYS 23 1HZ LYS 23 11.073 10.534 7.443 174 2HZ LYS 23 2HZ LYS 23 9.691 9.752 7.063 175 3HZ LYS 23 3HZ LYS 23 10.059 10.045 8.626 176 H LEU 24 HN LEU 24 5.952 5.168 8.067 177 HA LEU 24 HA LEU 24 4.327 7.388 8.219 178 1HB LEU 24 2HB LEU 24 3.725 4.439 8.411 179 2HB LEU 24 3HB LEU 24 2.476 5.666 8.342 180 HG LEU 24 HG LEU 24 3.385 6.426 6.146 181 1HD1 LEU 24 1HD LEU 24 5.277 4.118 6.592 182 2HD1 LEU 24 2HD LEU 24 4.894 4.733 4.966 183 3HD1 LEU 24 3HD LEU 24 5.648 5.807 6.169 184 1HD2 LEU 24 1HD LEU 24 1.840 4.135 6.748 185 2HD2 LEU 24 2HD LEU 24 1.825 5.122 5.266 186 3HD2 LEU 24 3HD LEU 24 2.896 3.704 5.381 187 H GLY 25 HN GLY 25 3.169 4.820 10.318 188 1HA GLY 25 1HA GLY 25 3.761 5.077 12.779 189 2HA GLY 25 2HA GLY 25 3.225 6.732 12.567 190 H CYS 26 HN CYS 26 1.865 3.744 11.046 191 HA CYS 26 HA CYS 26 -0.080 2.737 11.267 192 1HB CYS 26 2HB CYS 26 -0.975 4.312 13.635 193 2HB CYS 26 3HB CYS 26 -1.209 2.617 13.258 194 H ASP 27 HN ASP 27 -0.430 6.199 12.358 195 HA ASP 27 HA ASP 27 -2.882 6.553 11.117 196 1HB ASP 27 2HB ASP 27 -0.713 8.345 12.198 197 2HB ASP 27 3HB ASP 27 -1.939 9.088 11.190 198 H ALA 28 HN ALA 28 -1.930 5.329 9.031 199 HA ALA 28 HA ALA 28 -1.210 7.427 7.129 200 1HB ALA 28 1HB ALA 28 0.152 5.046 6.358 201 2HB ALA 28 2HB ALA 28 0.859 6.602 6.855 202 3HB ALA 28 3HB ALA 28 0.541 5.339 8.070 203 H CYS 29 HN CYS 29 -2.022 3.906 7.539 204 HA CYS 29 HA CYS 29 -3.805 4.230 5.238 205 1HB CYS 29 2HB CYS 29 -3.455 1.491 5.746 206 2HB CYS 29 3HB CYS 29 -2.868 2.426 4.386 207 H HIS 30 HN HIS 30 -3.561 3.944 8.638 208 HA HIS 30 HA HIS 30 -6.179 2.657 8.819 209 1HB HIS 30 2HB HIS 30 -4.103 3.147 10.974 210 2HB HIS 30 3HB HIS 30 -5.631 2.316 11.192 211 HD1 HIS 30 HD1 HIS 30 -5.900 -0.026 9.856 212 HD2 HIS 30 HD2 HIS 30 -2.025 1.568 10.051 213 HE1 HIS 30 HE1 HIS 30 -4.313 -1.931 9.255 214 H GLU 31 HN GLU 31 -7.272 3.630 11.080 215 HA GLU 31 HA GLU 31 -7.001 6.488 11.077 216 1HB GLU 31 2HB GLU 31 -8.649 5.994 9.242 217 2HB GLU 31 3HB GLU 31 -9.676 5.184 10.409 218 1HG GLU 31 2HG GLU 31 -10.243 7.180 11.517 219 2HG GLU 31 3HG GLU 31 -8.773 7.999 11.025 220 H GLY 32 HN GLY 32 -6.498 6.571 13.259 221 1HA GLY 32 1HA GLY 32 -6.696 6.282 15.486 222 2HA GLY 32 2HA GLY 32 -8.401 6.568 15.203 223 H THR 33 HN THR 33 -5.939 4.199 15.975 224 HA THR 33 HA THR 33 -6.066 2.109 16.723 225 HB THR 33 HB THR 33 -9.091 2.594 16.817 226 HG1 THR 33 HG1 THR 33 -6.923 2.946 18.765 227 1HG2 THR 33 1HG THR 33 -9.002 1.026 18.731 228 2HG2 THR 33 2HG THR 33 -8.362 0.219 17.279 229 3HG2 THR 33 3HG THR 33 -7.244 0.837 18.518 230 HA PRO 34 HA PRO 34 -6.706 0.309 12.778 231 1HB PRO 34 2HB PRO 34 -4.637 -1.470 12.925 232 2HB PRO 34 3HB PRO 34 -4.456 0.160 12.311 233 1HG PRO 34 2HG PRO 34 -3.603 -0.945 14.917 234 2HG PRO 34 3HG PRO 34 -3.071 0.522 14.120 235 1HD PRO 34 2HD PRO 34 -4.900 0.331 16.321 236 2HD PRO 34 3HD PRO 34 -4.458 1.785 15.450 237 H ALA 35 HN ALA 35 -6.784 -2.110 11.972 238 HA ALA 35 HA ALA 35 -7.529 -3.955 13.987 239 1HB ALA 35 1HB ALA 35 -9.551 -2.107 13.098 240 2HB ALA 35 2HB ALA 35 -9.958 -3.736 12.506 241 3HB ALA 35 3HB ALA 35 -9.703 -3.460 14.245 242 H LYS 36 HN LYS 36 -8.092 -2.925 10.552 243 HA LYS 36 HA LYS 36 -6.547 -4.979 9.496 244 1HB LYS 36 2HB LYS 36 -8.050 -6.627 8.789 245 2HB LYS 36 3HB LYS 36 -8.486 -6.336 10.461 246 1HG LYS 36 2HG LYS 36 -10.580 -5.696 9.870 247 2HG LYS 36 3HG LYS 36 -9.953 -4.481 8.774 248 1HD LYS 36 2HD LYS 36 -9.494 -7.005 7.507 249 2HD LYS 36 3HD LYS 36 -11.125 -7.072 8.149 250 1HE LYS 36 2HE LYS 36 -10.845 -4.469 7.006 251 2HE LYS 36 3HE LYS 36 -10.123 -5.575 5.855 252 1HZ LYS 36 1HZ LYS 36 -12.563 -5.232 5.661 253 2HZ LYS 36 2HZ LYS 36 -12.099 -6.796 5.746 254 3HZ LYS 36 3HZ LYS 36 -12.754 -6.065 7.052 255 H ILE 37 HN ILE 37 -7.264 -5.256 6.987 256 HA ILE 37 HA ILE 37 -8.516 -2.858 5.991 257 HB ILE 37 HB ILE 37 -5.571 -3.391 5.648 258 1HG1 ILE 37 2HG ILE 37 -7.162 -1.029 6.682 259 2HG1 ILE 37 3HG ILE 37 -6.112 -2.086 7.608 260 1HG2 ILE 37 1HG ILE 37 -6.758 -2.952 3.457 261 2HG2 ILE 37 2HG ILE 37 -7.167 -1.343 4.101 262 3HG2 ILE 37 3HG ILE 37 -5.462 -1.810 3.890 263 1HD1 ILE 37 1HD ILE 37 -5.160 -0.376 5.265 264 2HD1 ILE 37 2HD ILE 37 -5.031 0.103 6.975 265 3HD1 ILE 37 3HD ILE 37 -4.140 -1.319 6.378 266 H ALA 38 HN ALA 38 -9.094 -3.047 3.737 267 HA ALA 38 HA ALA 38 -9.093 -5.851 2.891 268 1HB ALA 38 1HB ALA 38 -11.155 -4.074 3.195 269 2HB ALA 38 2HB ALA 38 -10.771 -3.859 1.470 270 3HB ALA 38 3HB ALA 38 -11.190 -5.472 2.095 271 H ILE 39 HN ILE 39 -7.342 -6.297 1.625 272 HA ILE 39 HA ILE 39 -6.706 -4.304 -0.440 273 HB ILE 39 HB ILE 39 -4.899 -6.167 1.096 274 1HG1 ILE 39 2HG ILE 39 -5.609 -4.003 2.169 275 2HG1 ILE 39 3HG ILE 39 -3.881 -4.217 1.975 276 1HG2 ILE 39 1HG ILE 39 -3.940 -4.294 -1.053 277 2HG2 ILE 39 2HG ILE 39 -3.124 -5.697 -0.323 278 3HG2 ILE 39 3HG ILE 39 -4.479 -5.943 -1.452 279 1HD1 ILE 39 1HD ILE 39 -3.708 -2.572 0.344 280 2HD1 ILE 39 2HD ILE 39 -5.355 -2.856 -0.267 281 3HD1 ILE 39 3HD ILE 39 -5.110 -1.945 1.242 282 H ASP 40 HN ASP 40 -6.832 -4.956 -2.542 283 HA ASP 40 HA ASP 40 -6.347 -7.534 -3.374 284 1HB ASP 40 2HB ASP 40 -8.648 -8.268 -3.991 285 2HB ASP 40 3HB ASP 40 -8.441 -8.157 -2.255 286 H LYS 41 HN LYS 41 -7.063 -7.762 -5.793 287 HA LYS 41 HA LYS 41 -6.542 -5.333 -7.116 288 1HB LYS 41 2HB LYS 41 -5.799 -7.425 -8.043 289 2HB LYS 41 3HB LYS 41 -7.431 -8.058 -8.092 290 1HG LYS 41 2HG LYS 41 -7.397 -5.523 -9.493 291 2HG LYS 41 3HG LYS 41 -6.074 -6.502 -10.094 292 1HD LYS 41 2HD LYS 41 -7.686 -8.414 -10.441 293 2HD LYS 41 3HD LYS 41 -8.996 -7.376 -9.915 294 1HE LYS 41 2HE LYS 41 -8.680 -5.870 -11.799 295 2HE LYS 41 3HE LYS 41 -7.164 -6.631 -12.237 296 1HZ LYS 41 1HZ LYS 41 -9.678 -8.131 -12.194 297 2HZ LYS 41 2HZ LYS 41 -9.181 -7.315 -13.518 298 3HZ LYS 41 3HZ LYS 41 -8.276 -8.539 -12.927 299 H LYS 42 HN LYS 42 -8.283 -4.062 -5.955 300 HA LYS 42 HA LYS 42 -10.346 -3.502 -7.717 301 1HB LYS 42 2HB LYS 42 -10.934 -5.809 -6.213 302 2HB LYS 42 3HB LYS 42 -11.854 -4.523 -5.458 303 1HG LYS 42 2HG LYS 42 -12.588 -3.851 -7.859 304 2HG LYS 42 3HG LYS 42 -11.923 -5.386 -8.378 305 1HD LYS 42 2HD LYS 42 -13.491 -6.647 -7.092 306 2HD LYS 42 3HD LYS 42 -13.899 -5.280 -6.076 307 1HE LYS 42 2HE LYS 42 -15.006 -4.147 -7.986 308 2HE LYS 42 3HE LYS 42 -14.529 -5.446 -9.062 309 1HZ LYS 42 1HZ LYS 42 -16.832 -5.459 -7.936 310 2HZ LYS 42 2HZ LYS 42 -16.016 -6.862 -8.121 311 3HZ LYS 42 3HZ LYS 42 -16.036 -6.113 -6.669 312 H SER 43 HN SER 43 -9.312 -3.641 -4.264 313 HA SER 43 HA SER 43 -10.277 -0.907 -4.022 314 1HB SER 43 2HB SER 43 -10.763 -3.025 -2.371 315 2HB SER 43 3HB SER 43 -9.316 -2.394 -1.611 316 HG SER 43 HG SER 43 -10.474 -0.801 -0.788 317 H ALA 44 HN ALA 44 -7.453 -3.088 -3.712 318 HA ALA 44 HA ALA 44 -5.687 -1.311 -2.509 319 1HB ALA 44 1HB ALA 44 -4.447 -3.178 -2.630 320 2HB ALA 44 2HB ALA 44 -5.670 -3.915 -3.694 321 3HB ALA 44 3HB ALA 44 -4.321 -2.992 -4.396 322 H HIS 45 HN HIS 45 -7.220 -1.216 -5.606 323 HA HIS 45 HA HIS 45 -5.094 0.442 -6.703 324 1HB HIS 45 2HB HIS 45 -7.559 -0.805 -7.941 325 2HB HIS 45 3HB HIS 45 -6.501 0.300 -8.796 326 HD1 HIS 45 HD1 HIS 45 -6.185 -1.865 -10.420 327 HD2 HIS 45 HD2 HIS 45 -4.471 -2.115 -6.600 328 HE1 HIS 45 HE1 HIS 45 -4.494 -3.772 -10.518 329 H LYS 46 HN LYS 46 -7.737 0.770 -4.695 330 HA LYS 46 HA LYS 46 -8.474 3.364 -5.843 331 1HB LYS 46 2HB LYS 46 -10.057 1.259 -4.932 332 2HB LYS 46 3HB LYS 46 -10.098 2.405 -3.609 333 1HG LYS 46 2HG LYS 46 -10.782 4.218 -5.152 334 2HG LYS 46 3HG LYS 46 -10.641 3.139 -6.524 335 1HD LYS 46 2HD LYS 46 -12.609 2.015 -6.032 336 2HD LYS 46 3HD LYS 46 -12.400 2.177 -4.300 337 1HE LYS 46 2HE LYS 46 -14.224 3.618 -4.756 338 2HE LYS 46 3HE LYS 46 -12.865 4.720 -4.657 339 1HZ LYS 46 1HZ LYS 46 -14.390 4.914 -6.633 340 2HZ LYS 46 2HZ LYS 46 -12.787 4.905 -6.948 341 3HZ LYS 46 3HZ LYS 46 -13.679 3.564 -7.217 342 H ASP 47 HN ASP 47 -9.516 4.423 -3.351 343 HA ASP 47 HA ASP 47 -7.419 5.820 -2.471 344 1HB ASP 47 2HB ASP 47 -8.739 6.276 -0.425 345 2HB ASP 47 3HB ASP 47 -9.762 6.289 -1.846 346 H ALA 48 HN ALA 48 -8.327 2.481 -1.711 347 HA ALA 48 HA ALA 48 -7.316 1.914 0.685 348 1HB ALA 48 1HB ALA 48 -8.234 0.386 -1.188 349 2HB ALA 48 2HB ALA 48 -6.545 0.259 -1.733 350 3HB ALA 48 3HB ALA 48 -6.998 -0.294 -0.103 351 H CYS 49 HN CYS 49 -5.306 2.159 -2.337 352 HA CYS 49 HA CYS 49 -3.021 2.621 -0.560 353 1HB CYS 49 2HB CYS 49 -3.320 1.001 -3.033 354 2HB CYS 49 3HB CYS 49 -1.828 1.903 -2.858 355 H LYS 50 HN LYS 50 -3.782 3.085 -4.088 356 HA LYS 50 HA LYS 50 -2.349 5.277 -4.587 357 1HB LYS 50 2HB LYS 50 -5.119 4.557 -5.569 358 2HB LYS 50 3HB LYS 50 -4.195 5.890 -6.232 359 1HG LYS 50 2HG LYS 50 -2.840 3.202 -5.998 360 2HG LYS 50 3HG LYS 50 -4.029 3.416 -7.267 361 1HD LYS 50 2HD LYS 50 -1.930 5.557 -6.926 362 2HD LYS 50 3HD LYS 50 -1.437 4.034 -7.640 363 1HE LYS 50 2HE LYS 50 -3.146 4.241 -9.400 364 2HE LYS 50 3HE LYS 50 -3.816 5.669 -8.638 365 1HZ LYS 50 1HZ LYS 50 -1.023 5.879 -9.141 366 2HZ LYS 50 2HZ LYS 50 -1.896 5.671 -10.505 367 3HZ LYS 50 3HZ LYS 50 -2.226 6.920 -9.507 368 H THR 51 HN THR 51 -2.019 6.872 -3.078 369 HA THR 51 HA THR 51 -3.807 8.951 -2.860 370 HB THR 51 HB THR 51 -4.305 6.693 -0.969 371 HG1 THR 51 HG1 THR 51 -5.716 7.862 -2.638 372 1HG2 THR 51 1HG THR 51 -5.245 8.692 0.586 373 2HG2 THR 51 2HG THR 51 -3.624 8.005 0.851 374 3HG2 THR 51 3HG THR 51 -3.808 9.527 -0.053 375 H CYS 52 HN CYS 52 -1.998 7.380 -0.157 376 HA CYS 52 HA CYS 52 -0.632 9.726 0.439 377 1HB CYS 52 2HB CYS 52 -0.686 8.308 2.217 378 2HB CYS 52 3HB CYS 52 -0.445 6.873 1.241 379 H HIS 53 HN HIS 53 0.388 6.696 -1.300 380 HA HIS 53 HA HIS 53 2.944 7.293 -1.868 381 1HB HIS 53 2HB HIS 53 0.802 5.752 -3.230 382 2HB HIS 53 3HB HIS 53 2.205 6.140 -4.207 383 HD1 HIS 53 HD1 HIS 53 2.863 3.594 -4.246 384 HD2 HIS 53 HD2 HIS 53 2.878 5.352 -0.438 385 HE1 HIS 53 HE1 HIS 53 4.090 1.966 -2.712 386 H LYS 54 HN LYS 54 0.008 8.515 -3.576 387 HA LYS 54 HA LYS 54 1.503 9.947 -5.511 388 1HB LYS 54 2HB LYS 54 -1.379 9.855 -4.651 389 2HB LYS 54 3HB LYS 54 -0.832 11.116 -5.737 390 1HG LYS 54 2HG LYS 54 -0.320 9.614 -7.463 391 2HG LYS 54 3HG LYS 54 -0.006 8.285 -6.365 392 1HD LYS 54 2HD LYS 54 -2.071 7.611 -7.193 393 2HD LYS 54 3HD LYS 54 -2.610 8.539 -5.808 394 1HE LYS 54 2HE LYS 54 -2.241 9.883 -8.509 395 2HE LYS 54 3HE LYS 54 -3.713 9.003 -8.148 396 1HZ LYS 54 1HZ LYS 54 -2.646 11.346 -6.756 397 2HZ LYS 54 2HZ LYS 54 -4.096 11.178 -7.489 398 3HZ LYS 54 3HZ LYS 54 -3.798 10.405 -6.082 399 H SER 55 HN SER 55 3.120 10.986 -4.122 400 HA SER 55 HA SER 55 2.603 13.616 -3.723 401 1HB SER 55 2HB SER 55 1.410 12.143 -1.627 402 2HB SER 55 3HB SER 55 2.888 12.775 -0.929 403 HG SER 55 HG SER 55 0.556 14.099 -1.551 404 H ASN 56 HN ASN 56 4.291 10.669 -2.575 405 HA ASN 56 HA ASN 56 6.708 12.268 -2.319 406 1HB ASN 56 2HB ASN 56 5.702 9.737 -1.031 407 2HB ASN 56 3HB ASN 56 7.428 9.824 -1.320 408 1HD2 ASN 56 1HD ASN 56 6.834 9.639 1.181 409 2HD2 ASN 56 2HD ASN 56 6.950 11.130 2.054 410 H ASN 57 HN ASN 57 6.018 8.754 -2.987 411 HA ASN 57 HA ASN 57 8.105 8.631 -4.864 412 1HB ASN 57 2HB ASN 57 6.174 6.796 -3.595 413 2HB ASN 57 3HB ASN 57 6.414 6.393 -5.283 414 1HD2 ASN 57 1HD ASN 57 7.296 4.444 -4.209 415 2HD2 ASN 57 2HD ASN 57 8.982 4.401 -3.810 416 H GLY 58 HN GLY 58 7.251 7.227 -7.068 417 1HA GLY 58 1HA GLY 58 4.987 8.739 -8.208 418 2HA GLY 58 2HA GLY 58 6.527 8.661 -9.039 419 HA PRO 59 HA PRO 59 4.788 4.250 -9.039 420 1HB PRO 59 2HB PRO 59 2.372 3.725 -7.878 421 2HB PRO 59 3HB PRO 59 3.902 3.477 -7.060 422 1HG PRO 59 2HG PRO 59 1.918 5.633 -6.667 423 2HG PRO 59 3HG PRO 59 3.215 5.126 -5.603 424 1HD PRO 59 2HD PRO 59 3.188 7.445 -7.292 425 2HD PRO 59 3HD PRO 59 4.528 6.874 -6.316 426 H THR 60 HN THR 60 2.145 6.570 -9.134 427 HA THR 60 HA THR 60 0.450 6.726 -10.623 428 HB THR 60 HB THR 60 2.381 8.058 -11.522 429 HG1 THR 60 HG1 THR 60 0.270 7.815 -12.655 430 1HG2 THR 60 1HG THR 60 2.858 5.492 -13.128 431 2HG2 THR 60 2HG THR 60 3.546 7.078 -13.554 432 3HG2 THR 60 3HG THR 60 4.016 6.284 -12.032 433 H LYS 61 HN LYS 61 0.801 4.000 -9.798 434 HA LYS 61 HA LYS 61 0.307 1.926 -10.397 435 1HB LYS 61 2HB LYS 61 -1.626 1.658 -11.850 436 2HB LYS 61 3HB LYS 61 -1.860 3.004 -10.753 437 1HG LYS 61 2HG LYS 61 -1.415 4.629 -12.481 438 2HG LYS 61 3HG LYS 61 -0.754 3.416 -13.560 439 1HD LYS 61 2HD LYS 61 -2.811 2.877 -14.369 440 2HD LYS 61 3HD LYS 61 -3.479 2.701 -12.758 441 1HE LYS 61 2HE LYS 61 -3.642 5.243 -12.623 442 2HE LYS 61 3HE LYS 61 -3.138 5.317 -14.300 443 1HZ LYS 61 1HZ LYS 61 -5.175 3.480 -14.178 444 2HZ LYS 61 2HZ LYS 61 -5.671 4.744 -13.271 445 3HZ LYS 61 3HZ LYS 61 -5.233 4.978 -14.826 446 H CYS 62 HN CYS 62 0.513 0.184 -12.079 447 HA CYS 62 HA CYS 62 1.981 -0.830 -13.401 448 1HB CYS 62 2HB CYS 62 1.309 1.338 -15.387 449 2HB CYS 62 3HB CYS 62 1.723 -0.333 -15.709 450 H GLY 63 HN GLY 63 3.984 -0.451 -12.286 451 1HA GLY 63 1HA GLY 63 6.223 0.160 -13.105 452 2HA GLY 63 2HA GLY 63 5.595 1.769 -13.399 453 H GLY 64 HN GLY 64 3.832 1.314 -10.816 454 1HA GLY 64 1HA GLY 64 5.834 2.421 -9.005 455 2HA GLY 64 2HA GLY 64 4.093 2.418 -8.804 456 H CYS 65 HN CYS 65 3.006 0.296 -8.295 457 HA CYS 65 HA CYS 65 4.520 -1.043 -6.293 458 1HB CYS 65 2HB CYS 65 1.829 -1.943 -7.286 459 2HB CYS 65 3HB CYS 65 2.527 -2.105 -5.686 460 H HIS 66 HN HIS 66 2.783 -2.101 -9.322 461 HA HIS 66 HA HIS 66 4.123 -4.605 -9.308 462 1HB HIS 66 2HB HIS 66 2.373 -3.222 -11.356 463 2HB HIS 66 3HB HIS 66 3.010 -4.842 -11.559 464 HD1 HIS 66 HD1 HIS 66 2.004 -6.743 -10.063 465 HD2 HIS 66 HD2 HIS 66 0.254 -2.973 -9.498 466 HE1 HIS 66 HE1 HIS 66 -0.137 -7.141 -8.733 467 H ILE 67 HN ILE 67 6.373 -4.235 -9.339 468 HA ILE 67 HA ILE 67 7.423 -2.595 -11.486 469 HB ILE 67 HB ILE 67 8.696 -4.024 -9.154 470 1HG1 ILE 67 2HG ILE 67 8.791 -1.068 -9.521 471 2HG1 ILE 67 3HG ILE 67 7.245 -1.761 -9.073 472 1HG2 ILE 67 1HG ILE 67 10.438 -4.101 -10.653 473 2HG2 ILE 67 2HG ILE 67 9.916 -2.632 -11.512 474 3HG2 ILE 67 3HG ILE 67 10.691 -2.501 -9.915 475 1HD1 ILE 67 1HD ILE 67 9.213 -3.062 -7.452 476 2HD1 ILE 67 2HD ILE 67 9.566 -1.317 -7.411 477 3HD1 ILE 67 3HD ILE 67 7.958 -1.912 -6.933 478 H LYS 68 HN LYS 68 7.019 -3.689 -13.412 479 HA LYS 68 HA LYS 68 7.619 -6.492 -13.589 480 1HB LYS 68 2HB LYS 68 6.853 -6.276 -15.885 481 2HB LYS 68 3HB LYS 68 5.715 -5.523 -14.787 482 1HG LYS 68 2HG LYS 68 6.293 -3.339 -15.454 483 2HG LYS 68 3HG LYS 68 7.897 -3.808 -15.982 484 1HD LYS 68 2HD LYS 68 5.456 -4.904 -17.411 485 2HD LYS 68 3HD LYS 68 6.033 -3.291 -17.781 486 1HE LYS 68 2HE LYS 68 8.400 -4.694 -17.877 487 2HE LYS 68 3HE LYS 68 7.279 -5.937 -18.392 488 1HZ LYS 68 1HZ LYS 68 8.211 -4.412 -20.141 489 2HZ LYS 68 2HZ LYS 68 6.596 -4.649 -20.173 490 3HZ LYS 68 3HZ LYS 68 7.205 -3.260 -19.567 491 HHA HEC 98 HGM HEC 98 -4.462 -5.232 9.202 492 HHB HEC 98 HDM HEC 98 -2.180 -2.066 14.073 493 HHC HEC 98 HAM HEC 98 1.439 1.259 10.079 494 HHD HEC 98 HBM HEC 98 -1.288 -1.685 5.314 495 1HMA HEC 98 1HM HEC 98 -3.245 -5.507 14.506 496 2HMA HEC 98 2HM HEC 98 -3.036 -3.787 14.910 497 3HMA HEC 98 3HM HEC 98 -4.658 -4.426 14.554 498 1HAA HEC 98 1HA HEC 98 -5.084 -6.348 12.673 499 2HAA HEC 98 2HA HEC 98 -5.452 -5.991 10.969 500 1HBA HEC 98 3HB HEC 98 -4.378 -8.032 10.614 501 2HBA HEC 98 4HB HEC 98 -2.917 -7.020 10.688 502 1HMB HEC 98 1HM HEC 98 -1.643 -0.502 15.153 503 2HMB HEC 98 2HM HEC 98 0.058 -0.066 15.435 504 3HMB HEC 98 3HM HEC 98 -1.117 1.186 14.967 505 HAB HEC 98 HT2 HEC 98 1.800 2.005 11.913 506 1HBB HEC 98 1HT HEC 98 2.432 0.901 14.592 507 2HBB HEC 98 2HT HEC 98 3.039 0.248 13.052 508 3HBB HEC 98 3HT HEC 98 3.414 1.925 13.517 509 1HMC HEC 98 1HM HEC 98 1.666 2.805 8.177 510 2HMC HEC 98 2HM HEC 98 2.939 1.561 8.141 511 3HMC HEC 98 3HM HEC 98 2.289 2.216 6.619 512 HAC HEC 98 HT4 HEC 98 -0.732 0.867 4.775 513 1HBC HEC 98 1HT HEC 98 0.183 -0.893 3.664 514 2HBC HEC 98 2HT HEC 98 1.532 0.227 3.360 515 3HBC HEC 98 3HT HEC 98 1.625 -0.933 4.705 516 1HMD HEC 98 1HM HEC 98 -3.374 -2.521 4.000 517 2HMD HEC 98 2HM HEC 98 -1.930 -3.561 3.962 518 3HMD HEC 98 3HM HEC 98 -3.552 -4.293 4.008 519 1HAD HEC 98 1HA HEC 98 -4.423 -6.279 7.130 520 2HAD HEC 98 2HA HEC 98 -5.181 -5.327 5.831 521 1HBD HEC 98 3HB HEC 98 -2.541 -5.905 5.001 522 2HBD HEC 98 4HB HEC 98 -3.237 -7.410 5.649 523 HHA HEC 128 HGM HEC 128 8.579 3.087 -0.617 524 HHB HEC 128 HDM HEC 128 4.342 -1.102 -2.483 525 HHC HEC 128 HAM HEC 128 0.085 1.687 1.286 526 HHD HEC 128 HBM HEC 128 4.313 6.047 2.673 527 1HMA HEC 128 1HM HEC 128 6.266 -1.595 -3.517 528 2HMA HEC 128 2HM HEC 128 8.013 -1.260 -3.486 529 3HMA HEC 128 3HM HEC 128 7.274 -2.243 -2.200 530 1HAA HEC 128 1HA HEC 128 9.721 1.485 -1.041 531 2HAA HEC 128 2HA HEC 128 9.721 -0.200 -1.610 532 1HBA HEC 128 3HB HEC 128 9.674 0.419 -3.869 533 2HBA HEC 128 4HB HEC 128 8.721 1.887 -3.553 534 1HMB HEC 128 1HM HEC 128 1.584 -2.668 -2.142 535 2HMB HEC 128 2HM HEC 128 0.815 -1.429 -3.159 536 3HMB HEC 128 3HM HEC 128 2.572 -1.689 -3.250 537 HAB HEC 128 HT2 HEC 128 -1.000 0.368 -0.061 538 1HBB HEC 128 1HT HEC 128 -0.719 -0.768 1.798 539 2HBB HEC 128 2HT HEC 128 -1.611 -1.943 0.801 540 3HBB HEC 128 3HT HEC 128 0.148 -2.111 1.014 541 1HMC HEC 128 1HM HEC 128 -1.124 3.057 2.092 542 2HMC HEC 128 2HM HEC 128 -0.619 3.229 3.790 543 3HMC HEC 128 3HM HEC 128 -1.064 4.668 2.845 544 HAC HEC 128 HT4 HEC 128 2.305 6.576 3.809 545 1HBC HEC 128 1HT HEC 128 0.388 6.959 4.969 546 2HBC HEC 128 2HT HEC 128 -0.645 6.735 3.537 547 3HBC HEC 128 3HT HEC 128 -0.055 5.318 4.440 548 1HMD HEC 128 1HM HEC 128 7.756 7.209 2.766 549 2HMD HEC 128 2HM HEC 128 6.373 7.885 1.871 550 3HMD HEC 128 3HM HEC 128 6.105 7.020 3.403 551 1HAD HEC 128 1HA HEC 128 9.369 5.390 2.274 552 2HAD HEC 128 2HA HEC 128 9.650 4.592 0.709 553 1HBD HEC 128 3HB HEC 128 9.257 6.620 -0.479 554 2HBD HEC 128 4HB HEC 128 8.697 7.442 0.998 555 HHA HEC 158 HGM HEC 158 -2.834 -8.131 -7.219 556 HHB HEC 158 HDM HEC 158 -2.664 -5.851 -13.029 557 HHC HEC 158 HAM HEC 158 -1.658 -0.081 -10.620 558 HHD HEC 158 HBM HEC 158 -1.401 -2.609 -4.931 559 1HMA HEC 158 1HM HEC 158 -4.348 -7.767 -12.964 560 2HMA HEC 158 2HM HEC 158 -2.790 -8.625 -12.940 561 3HMA HEC 158 3HM HEC 158 -4.204 -9.326 -12.120 562 1HAA HEC 158 1HA HEC 158 -3.827 -9.454 -8.193 563 2HAA HEC 158 2HA HEC 158 -4.862 -9.707 -9.618 564 1HBA HEC 158 3HB HEC 158 -2.049 -10.030 -10.373 565 2HBA HEC 158 4HB HEC 158 -2.423 -11.085 -8.991 566 1HMB HEC 158 1HM HEC 158 -1.559 -4.767 -14.560 567 2HMB HEC 158 2HM HEC 158 -2.913 -3.717 -15.041 568 3HMB HEC 158 3HM HEC 158 -1.245 -3.099 -15.094 569 HAB HEC 158 HT2 HEC 158 -1.193 0.005 -12.750 570 1HBB HEC 158 1HT HEC 158 -3.013 0.904 -14.258 571 2HBB HEC 158 2HT HEC 158 -3.959 -0.467 -13.633 572 3HBB HEC 158 3HT HEC 158 -3.265 0.722 -12.506 573 1HMC HEC 158 1HM HEC 158 -0.038 1.699 -8.508 574 2HMC HEC 158 2HM HEC 158 -1.428 1.523 -9.606 575 3HMC HEC 158 3HM HEC 158 -1.680 2.076 -7.934 576 HAC HEC 158 HT4 HEC 158 -0.591 -0.624 -4.778 577 1HBC HEC 158 1HT HEC 158 -0.578 1.872 -4.380 578 2HBC HEC 158 2HT HEC 158 -1.191 2.084 -6.037 579 3HBC HEC 158 3HT HEC 158 -2.166 1.209 -4.833 580 1HMD HEC 158 1HM HEC 158 -0.924 -5.403 -2.869 581 2HMD HEC 158 2HM HEC 158 -1.076 -3.678 -3.278 582 3HMD HEC 158 3HM HEC 158 -2.507 -4.599 -2.758 583 1HAD HEC 158 1HA HEC 158 -2.877 -7.049 -3.326 584 2HAD HEC 158 2HA HEC 158 -3.717 -7.810 -4.698 585 1HBD HEC 158 3HB HEC 158 -1.040 -8.356 -5.167 586 2HBD HEC 158 4HB HEC 158 -1.222 -8.526 -3.404 Start of MODEL 28 1 H ALA 1 HN ALA 1 2.428 -4.758 5.124 2 HA ALA 1 HA ALA 1 0.156 -5.479 6.268 3 1HB ALA 1 1HB ALA 1 -0.850 -6.231 4.209 4 2HB ALA 1 2HB ALA 1 0.568 -7.232 3.817 5 3HB ALA 1 3HB ALA 1 -0.484 -7.675 5.183 6 H ASP 2 HN ASP 2 1.645 -5.602 7.984 7 HA ASP 2 HA ASP 2 3.333 -6.368 9.167 8 1HB ASP 2 2HB ASP 2 1.462 -8.573 8.552 9 2HB ASP 2 3HB ASP 2 3.038 -9.157 9.043 10 H VAL 3 HN VAL 3 4.027 -6.011 6.306 11 HA VAL 3 HA VAL 3 5.727 -6.404 4.949 12 HB VAL 3 HB VAL 3 6.629 -7.881 7.392 13 1HG1 VAL 3 1HG VAL 3 8.879 -7.956 5.865 14 2HG1 VAL 3 2HG VAL 3 7.769 -9.330 6.079 15 3HG1 VAL 3 3HG VAL 3 7.637 -8.293 4.637 16 1HG2 VAL 3 1HG VAL 3 6.761 -5.265 6.692 17 2HG2 VAL 3 2HG VAL 3 7.931 -6.065 7.768 18 3HG2 VAL 3 3HG VAL 3 8.313 -5.845 6.044 19 H VAL 4 HN VAL 4 3.859 -7.402 3.724 20 HA VAL 4 HA VAL 4 4.056 -10.315 3.618 21 HB VAL 4 HB VAL 4 2.017 -8.278 2.772 22 1HG1 VAL 4 1HG VAL 4 0.745 -10.014 1.616 23 2HG1 VAL 4 2HG VAL 4 2.336 -9.794 0.847 24 3HG1 VAL 4 3HG VAL 4 2.046 -11.192 1.911 25 1HG2 VAL 4 1HG VAL 4 0.833 -9.045 4.511 26 2HG2 VAL 4 2HG VAL 4 1.114 -10.744 4.058 27 3HG2 VAL 4 3HG VAL 4 2.322 -9.870 5.030 28 H THR 5 HN THR 5 4.470 -11.417 1.628 29 HA THR 5 HA THR 5 5.637 -9.682 -0.448 30 HB THR 5 HB THR 5 6.615 -12.367 0.657 31 HG1 THR 5 HG1 THR 5 6.892 -9.828 1.431 32 1HG2 THR 5 1HG THR 5 7.355 -12.457 -1.591 33 2HG2 THR 5 2HG THR 5 7.421 -10.683 -1.737 34 3HG2 THR 5 3HG THR 5 8.675 -11.548 -0.815 35 H TYR 6 HN TYR 6 4.357 -9.673 -2.183 36 HA TYR 6 HA TYR 6 2.994 -12.199 -2.825 37 1HB TYR 6 2HB TYR 6 2.459 -9.203 -3.195 38 2HB TYR 6 3HB TYR 6 1.627 -10.359 -4.216 39 HD1 TYR 6 HD1 TYR 6 2.174 -11.866 -1.072 40 HD2 TYR 6 HD2 TYR 6 -0.327 -9.003 -3.035 41 HE1 TYR 6 HE1 TYR 6 0.400 -12.175 0.723 42 HE2 TYR 6 HE2 TYR 6 -2.093 -9.322 -1.233 43 HH TYR 6 HH TYR 6 -2.705 -10.472 0.500 44 H GLU 7 HN GLU 7 4.348 -13.261 -4.243 45 HA GLU 7 HA GLU 7 5.589 -11.661 -6.307 46 1HB GLU 7 2HB GLU 7 5.935 -14.615 -5.624 47 2HB GLU 7 3HB GLU 7 6.884 -13.727 -6.802 48 1HG GLU 7 2HG GLU 7 8.256 -12.933 -5.180 49 2HG GLU 7 3HG GLU 7 6.900 -12.255 -4.303 50 H ASN 8 HN ASN 8 3.331 -11.254 -7.221 51 HA ASN 8 HA ASN 8 1.965 -13.455 -8.322 52 1HB ASN 8 2HB ASN 8 0.735 -11.545 -9.601 53 2HB ASN 8 3HB ASN 8 0.623 -11.530 -7.851 54 1HD2 ASN 8 1HD ASN 8 1.696 -10.004 -6.649 55 2HD2 ASN 8 2HD ASN 8 2.412 -8.576 -7.321 56 H LYS 9 HN LYS 9 1.318 -12.852 -10.937 57 HA LYS 9 HA LYS 9 3.829 -13.294 -12.287 58 1HB LYS 9 2HB LYS 9 1.036 -13.942 -12.711 59 2HB LYS 9 3HB LYS 9 1.714 -13.204 -14.149 60 1HG LYS 9 2HG LYS 9 2.387 -15.380 -14.546 61 2HG LYS 9 3HG LYS 9 3.767 -14.860 -13.600 62 1HD LYS 9 2HD LYS 9 3.254 -16.264 -11.879 63 2HD LYS 9 3HD LYS 9 1.573 -15.772 -11.869 64 1HE LYS 9 2HE LYS 9 0.951 -17.387 -13.504 65 2HE LYS 9 3HE LYS 9 2.595 -17.578 -14.083 66 1HZ LYS 9 1HZ LYS 9 2.747 -18.263 -11.480 67 2HZ LYS 9 2HZ LYS 9 1.301 -18.877 -11.923 68 3HZ LYS 9 3HZ LYS 9 2.653 -19.308 -12.732 69 H LYS 10 HN LYS 10 1.026 -10.999 -12.611 70 HA LYS 10 HA LYS 10 2.014 -9.365 -14.517 71 1HB LYS 10 2HB LYS 10 0.322 -8.829 -12.081 72 2HB LYS 10 3HB LYS 10 0.753 -7.527 -13.172 73 1HG LYS 10 2HG LYS 10 -0.429 -10.121 -14.233 74 2HG LYS 10 3HG LYS 10 -1.465 -8.846 -13.620 75 1HD LYS 10 2HD LYS 10 -0.594 -7.252 -15.262 76 2HD LYS 10 3HD LYS 10 0.643 -8.381 -15.778 77 1HE LYS 10 2HE LYS 10 -1.138 -9.959 -16.573 78 2HE LYS 10 3HE LYS 10 -2.368 -8.817 -16.071 79 1HZ LYS 10 1HZ LYS 10 -1.776 -8.649 -18.418 80 2HZ LYS 10 2HZ LYS 10 -1.525 -7.245 -17.624 81 3HZ LYS 10 3HZ LYS 10 -0.259 -8.198 -18.020 82 H GLY 11 HN GLY 11 2.223 -8.222 -11.098 83 1HA GLY 11 1HA GLY 11 5.094 -7.803 -11.372 84 2HA GLY 11 2HA GLY 11 4.105 -6.359 -11.282 85 H ASN 12 HN ASN 12 5.927 -8.444 -9.440 86 HA ASN 12 HA ASN 12 4.435 -9.076 -7.272 87 1HB ASN 12 2HB ASN 12 6.540 -9.200 -6.050 88 2HB ASN 12 3HB ASN 12 6.882 -9.655 -7.707 89 1HD2 ASN 12 1HD ASN 12 8.280 -8.221 -5.326 90 2HD2 ASN 12 2HD ASN 12 9.109 -6.891 -6.063 91 H VAL 13 HN VAL 13 3.772 -7.933 -5.364 92 HA VAL 13 HA VAL 13 4.560 -5.124 -5.182 93 HB VAL 13 HB VAL 13 2.487 -5.083 -6.378 94 1HG1 VAL 13 1HG VAL 13 1.190 -6.671 -4.146 95 2HG1 VAL 13 2HG VAL 13 0.476 -6.176 -5.698 96 3HG1 VAL 13 3HG VAL 13 1.767 -7.401 -5.663 97 1HG2 VAL 13 1HG VAL 13 2.076 -4.408 -3.446 98 2HG2 VAL 13 2HG VAL 13 2.764 -3.348 -4.699 99 3HG2 VAL 13 3HG VAL 13 1.053 -3.832 -4.783 100 H THR 14 HN THR 14 5.998 -6.265 -3.562 101 HA THR 14 HA THR 14 4.769 -7.469 -1.290 102 HB THR 14 HB THR 14 7.548 -6.534 -2.102 103 HG1 THR 14 HG1 THR 14 7.628 -8.744 -2.408 104 1HG2 THR 14 1HG THR 14 8.471 -7.191 -0.012 105 2HG2 THR 14 2HG THR 14 7.044 -6.249 0.483 106 3HG2 THR 14 3HG THR 14 6.980 -8.027 0.484 107 H PHE 15 HN PHE 15 3.324 -6.290 -0.145 108 HA PHE 15 HA PHE 15 3.473 -3.537 0.192 109 1HB PHE 15 2HB PHE 15 2.335 -5.568 2.187 110 2HB PHE 15 3HB PHE 15 1.692 -3.980 1.817 111 HD1 PHE 15 HD1 PHE 15 0.321 -6.779 1.781 112 HD2 PHE 15 HD2 PHE 15 1.948 -4.293 -1.251 113 HE1 PHE 15 HE1 PHE 15 -1.239 -7.803 0.103 114 HE2 PHE 15 HE2 PHE 15 0.388 -5.319 -2.928 115 HZ PHE 15 HZ PHE 15 -1.187 -7.061 -2.231 116 H ASP 16 HN ASP 16 3.797 -2.329 2.271 117 HA ASP 16 HA ASP 16 5.832 -3.636 3.895 118 1HB ASP 16 2HB ASP 16 6.146 -0.737 3.825 119 2HB ASP 16 3HB ASP 16 7.332 -1.980 3.479 120 H HIS 17 HN HIS 17 5.041 -3.734 6.003 121 HA HIS 17 HA HIS 17 3.321 -1.520 6.858 122 1HB HIS 17 2HB HIS 17 2.004 -3.547 6.505 123 2HB HIS 17 3HB HIS 17 3.079 -4.463 7.543 124 HD1 HIS 17 HD1 HIS 17 3.323 -2.797 10.039 125 HD2 HIS 17 HD2 HIS 17 -0.284 -3.167 7.930 126 HE1 HIS 17 HE1 HIS 17 1.466 -2.251 11.700 127 H LYS 18 HN LYS 18 5.195 -4.320 8.241 128 HA LYS 18 HA LYS 18 5.793 -2.907 10.605 129 1HB LYS 18 2HB LYS 18 5.661 -5.394 10.358 130 2HB LYS 18 3HB LYS 18 7.161 -5.355 9.454 131 1HG LYS 18 2HG LYS 18 8.090 -4.010 11.535 132 2HG LYS 18 3HG LYS 18 6.702 -4.675 12.374 133 1HD LYS 18 2HD LYS 18 7.958 -6.533 12.738 134 2HD LYS 18 3HD LYS 18 7.735 -6.905 11.040 135 1HE LYS 18 2HE LYS 18 9.873 -4.916 11.462 136 2HE LYS 18 3HE LYS 18 10.189 -6.412 12.319 137 1HZ LYS 18 1HZ LYS 18 10.979 -6.372 10.008 138 2HZ LYS 18 2HZ LYS 18 9.963 -7.614 10.313 139 3HZ LYS 18 3HZ LYS 18 9.434 -6.310 9.484 140 H ALA 19 HN ALA 19 7.220 -3.046 7.384 141 HA ALA 19 HA ALA 19 9.729 -1.942 8.284 142 1HB ALA 19 1HB ALA 19 9.532 -3.571 6.395 143 2HB ALA 19 2HB ALA 19 8.622 -2.348 5.478 144 3HB ALA 19 3HB ALA 19 10.318 -2.047 5.922 145 H HIS 20 HN HIS 20 6.636 -0.883 6.825 146 HA HIS 20 HA HIS 20 7.610 1.738 6.281 147 1HB HIS 20 2HB HIS 20 5.084 0.231 5.969 148 2HB HIS 20 3HB HIS 20 4.888 1.950 6.240 149 HD1 HIS 20 HD1 HIS 20 8.018 1.262 4.448 150 HD2 HIS 20 HD2 HIS 20 3.989 1.833 3.429 151 HE1 HIS 20 HE1 HIS 20 7.977 1.770 1.948 152 H ALA 21 HN ALA 21 5.387 0.266 8.746 153 HA ALA 21 HA ALA 21 4.746 2.484 10.164 154 1HB ALA 21 1HB ALA 21 5.169 -0.413 10.801 155 2HB ALA 21 2HB ALA 21 4.968 0.712 12.165 156 3HB ALA 21 3HB ALA 21 3.697 0.579 10.925 157 H GLU 22 HN GLU 22 7.895 0.933 9.836 158 HA GLU 22 HA GLU 22 9.197 1.545 12.061 159 1HB GLU 22 2HB GLU 22 10.079 1.846 9.168 160 2HB GLU 22 3HB GLU 22 11.200 2.085 10.494 161 1HG GLU 22 2HG GLU 22 9.595 -0.392 10.769 162 2HG GLU 22 3HG GLU 22 10.576 -0.369 9.317 163 H LYS 23 HN LYS 23 8.564 3.871 9.345 164 HA LYS 23 HA LYS 23 9.012 6.023 11.293 165 1HB LYS 23 2HB LYS 23 9.673 6.273 8.359 166 2HB LYS 23 3HB LYS 23 10.136 7.331 9.676 167 1HG LYS 23 2HG LYS 23 10.999 4.434 9.775 168 2HG LYS 23 3HG LYS 23 11.847 5.525 8.699 169 1HD LYS 23 2HD LYS 23 11.425 6.665 11.400 170 2HD LYS 23 3HD LYS 23 12.371 5.191 11.422 171 1HE LYS 23 2HE LYS 23 13.828 7.191 11.162 172 2HE LYS 23 3HE LYS 23 13.955 6.130 9.773 173 1HZ LYS 23 1HZ LYS 23 13.610 8.580 9.361 174 2HZ LYS 23 2HZ LYS 23 12.669 7.553 8.507 175 3HZ LYS 23 3HZ LYS 23 12.052 8.351 9.793 176 H LEU 24 HN LEU 24 7.420 5.008 8.204 177 HA LEU 24 HA LEU 24 5.753 7.055 7.759 178 1HB LEU 24 2HB LEU 24 5.860 4.264 7.147 179 2HB LEU 24 3HB LEU 24 4.197 4.691 7.503 180 HG LEU 24 HG LEU 24 5.793 6.382 5.598 181 1HD1 LEU 24 1HD LEU 24 4.466 4.735 3.897 182 2HD1 LEU 24 2HD LEU 24 6.179 4.554 4.345 183 3HD1 LEU 24 3HD LEU 24 4.935 3.588 5.175 184 1HD2 LEU 24 1HD LEU 24 2.972 5.793 5.047 185 2HD2 LEU 24 2HD LEU 24 3.250 6.599 6.610 186 3HD2 LEU 24 3HD LEU 24 3.838 7.347 5.105 187 H GLY 25 HN GLY 25 4.206 4.242 9.371 188 1HA GLY 25 1HA GLY 25 3.583 4.707 11.790 189 2HA GLY 25 2HA GLY 25 2.844 6.162 11.152 190 H CYS 26 HN CYS 26 0.917 4.974 12.267 191 HA CYS 26 HA CYS 26 -0.150 2.835 10.646 192 1HB CYS 26 2HB CYS 26 -1.785 3.984 12.825 193 2HB CYS 26 3HB CYS 26 -1.489 2.313 12.389 194 H ASP 27 HN ASP 27 -1.258 6.066 11.925 195 HA ASP 27 HA ASP 27 -3.504 6.395 10.580 196 1HB ASP 27 2HB ASP 27 -1.260 8.286 11.270 197 2HB ASP 27 3HB ASP 27 -2.548 8.903 10.255 198 H ALA 28 HN ALA 28 -0.226 6.249 9.259 199 HA ALA 28 HA ALA 28 -0.295 7.620 6.951 200 1HB ALA 28 1HB ALA 28 1.369 6.116 6.172 201 2HB ALA 28 2HB ALA 28 1.500 6.059 7.946 202 3HB ALA 28 3HB ALA 28 0.672 4.748 7.072 203 H CYS 29 HN CYS 29 -1.792 4.378 7.551 204 HA CYS 29 HA CYS 29 -3.159 4.691 4.984 205 1HB CYS 29 2HB CYS 29 -3.186 2.111 6.480 206 2HB CYS 29 3HB CYS 29 -3.252 2.411 4.756 207 H HIS 30 HN HIS 30 -3.621 3.448 8.380 208 HA HIS 30 HA HIS 30 -6.457 3.737 8.139 209 1HB HIS 30 2HB HIS 30 -5.441 3.339 10.840 210 2HB HIS 30 3HB HIS 30 -6.535 2.353 9.890 211 HD1 HIS 30 HD1 HIS 30 -2.754 3.061 9.894 212 HD2 HIS 30 HD2 HIS 30 -5.467 -0.089 9.337 213 HE1 HIS 30 HE1 HIS 30 -1.348 0.967 9.510 214 H GLU 31 HN GLU 31 -7.306 4.762 10.559 215 HA GLU 31 HA GLU 31 -6.017 7.039 11.403 216 1HB GLU 31 2HB GLU 31 -6.512 7.809 9.041 217 2HB GLU 31 3HB GLU 31 -8.223 7.673 9.394 218 1HG GLU 31 2HG GLU 31 -6.695 9.227 11.419 219 2HG GLU 31 3HG GLU 31 -6.685 9.944 9.821 220 H GLY 32 HN GLY 32 -6.757 6.258 13.420 221 1HA GLY 32 1HA GLY 32 -8.333 6.779 15.097 222 2HA GLY 32 2HA GLY 32 -9.622 6.722 13.912 223 H THR 33 HN THR 33 -7.071 4.627 15.419 224 HA THR 33 HA THR 33 -7.102 2.501 16.067 225 HB THR 33 HB THR 33 -10.131 2.962 16.031 226 HG1 THR 33 HG1 THR 33 -8.103 2.907 18.146 227 1HG2 THR 33 1HG THR 33 -10.068 1.181 17.853 228 2HG2 THR 33 2HG THR 33 -9.717 0.547 16.227 229 3HG2 THR 33 3HG THR 33 -8.388 0.833 17.377 230 HA PRO 34 HA PRO 34 -7.389 0.741 12.068 231 1HB PRO 34 2HB PRO 34 -5.273 -0.967 12.341 232 2HB PRO 34 3HB PRO 34 -5.106 0.682 11.772 233 1HG PRO 34 2HG PRO 34 -4.412 -0.445 14.415 234 2HG PRO 34 3HG PRO 34 -3.875 1.055 13.686 235 1HD PRO 34 2HD PRO 34 -5.857 0.755 15.738 236 2HD PRO 34 3HD PRO 34 -5.404 2.241 14.928 237 H ALA 35 HN ALA 35 -7.195 -1.726 11.271 238 HA ALA 35 HA ALA 35 -7.964 -3.668 13.101 239 1HB ALA 35 1HB ALA 35 -10.204 -2.063 11.862 240 2HB ALA 35 2HB ALA 35 -10.431 -3.789 12.236 241 3HB ALA 35 3HB ALA 35 -10.025 -2.641 13.536 242 H LYS 36 HN LYS 36 -8.275 -2.287 9.797 243 HA LYS 36 HA LYS 36 -6.885 -4.337 8.590 244 1HB LYS 36 2HB LYS 36 -8.320 -5.960 7.984 245 2HB LYS 36 3HB LYS 36 -9.247 -5.410 9.365 246 1HG LYS 36 2HG LYS 36 -10.231 -3.667 7.560 247 2HG LYS 36 3HG LYS 36 -9.729 -4.909 6.431 248 1HD LYS 36 2HD LYS 36 -11.051 -6.236 8.613 249 2HD LYS 36 3HD LYS 36 -12.055 -4.875 8.156 250 1HE LYS 36 2HE LYS 36 -11.583 -5.737 5.675 251 2HE LYS 36 3HE LYS 36 -11.201 -7.246 6.478 252 1HZ LYS 36 1HZ LYS 36 -13.739 -5.850 6.342 253 2HZ LYS 36 2HZ LYS 36 -13.423 -7.444 6.186 254 3HZ LYS 36 3HZ LYS 36 -13.438 -6.755 7.666 255 H ILE 37 HN ILE 37 -6.841 -4.075 6.209 256 HA ILE 37 HA ILE 37 -7.991 -1.489 5.422 257 HB ILE 37 HB ILE 37 -5.227 -2.591 4.977 258 1HG1 ILE 37 2HG ILE 37 -6.301 -0.020 6.169 259 2HG1 ILE 37 3HG ILE 37 -5.508 -1.329 7.022 260 1HG2 ILE 37 1HG ILE 37 -4.986 -0.426 3.558 261 2HG2 ILE 37 2HG ILE 37 -5.677 -1.891 2.818 262 3HG2 ILE 37 3HG ILE 37 -6.748 -0.574 3.351 263 1HD1 ILE 37 1HD ILE 37 -3.588 -0.147 6.701 264 2HD1 ILE 37 2HD ILE 37 -3.663 -0.731 5.021 265 3HD1 ILE 37 3HD ILE 37 -4.328 0.866 5.439 266 H ALA 38 HN ALA 38 -8.161 -4.785 5.078 267 HA ALA 38 HA ALA 38 -8.658 -6.189 3.401 268 1HB ALA 38 1HB ALA 38 -10.521 -4.174 2.236 269 2HB ALA 38 2HB ALA 38 -10.839 -5.827 2.816 270 3HB ALA 38 3HB ALA 38 -10.690 -4.487 3.979 271 H ILE 39 HN ILE 39 -6.705 -6.319 2.207 272 HA ILE 39 HA ILE 39 -6.511 -4.466 -0.052 273 HB ILE 39 HB ILE 39 -4.538 -6.101 1.495 274 1HG1 ILE 39 2HG ILE 39 -5.057 -3.744 2.120 275 2HG1 ILE 39 3HG ILE 39 -3.373 -4.028 1.724 276 1HG2 ILE 39 1HG ILE 39 -4.160 -5.072 -1.328 277 2HG2 ILE 39 2HG ILE 39 -2.836 -5.570 -0.249 278 3HG2 ILE 39 3HG ILE 39 -4.059 -6.757 -0.762 279 1HD1 ILE 39 1HD ILE 39 -4.099 -1.958 0.645 280 2HD1 ILE 39 2HD ILE 39 -3.819 -3.185 -0.614 281 3HD1 ILE 39 3HD ILE 39 -5.479 -2.792 -0.108 282 H ASP 40 HN ASP 40 -7.355 -5.153 -1.938 283 HA ASP 40 HA ASP 40 -6.720 -7.758 -2.845 284 1HB ASP 40 2HB ASP 40 -8.900 -7.860 -1.320 285 2HB ASP 40 3HB ASP 40 -9.688 -7.158 -2.720 286 H LYS 41 HN LYS 41 -7.766 -8.046 -5.157 287 HA LYS 41 HA LYS 41 -7.348 -5.662 -6.602 288 1HB LYS 41 2HB LYS 41 -8.651 -8.184 -7.642 289 2HB LYS 41 3HB LYS 41 -7.734 -6.990 -8.538 290 1HG LYS 41 2HG LYS 41 -5.739 -7.939 -7.976 291 2HG LYS 41 3HG LYS 41 -6.178 -8.062 -6.285 292 1HD LYS 41 2HD LYS 41 -7.697 -9.953 -7.967 293 2HD LYS 41 3HD LYS 41 -5.966 -10.195 -8.100 294 1HE LYS 41 2HE LYS 41 -5.777 -10.968 -5.947 295 2HE LYS 41 3HE LYS 41 -6.870 -9.756 -5.309 296 1HZ LYS 41 1HZ LYS 41 -7.425 -12.404 -5.923 297 2HZ LYS 41 2HZ LYS 41 -8.427 -11.287 -5.278 298 3HZ LYS 41 3HZ LYS 41 -8.346 -11.473 -6.898 299 H LYS 42 HN LYS 42 -8.920 -4.339 -5.254 300 HA LYS 42 HA LYS 42 -11.160 -3.757 -6.773 301 1HB LYS 42 2HB LYS 42 -11.721 -6.064 -5.507 302 2HB LYS 42 3HB LYS 42 -12.187 -4.946 -4.241 303 1HG LYS 42 2HG LYS 42 -13.155 -4.023 -6.851 304 2HG LYS 42 3HG LYS 42 -13.703 -5.656 -6.528 305 1HD LYS 42 2HD LYS 42 -13.915 -3.760 -4.225 306 2HD LYS 42 3HD LYS 42 -14.960 -3.404 -5.584 307 1HE LYS 42 2HE LYS 42 -15.485 -6.030 -5.457 308 2HE LYS 42 3HE LYS 42 -14.928 -5.847 -3.806 309 1HZ LYS 42 1HZ LYS 42 -16.531 -3.840 -3.850 310 2HZ LYS 42 2HZ LYS 42 -17.237 -4.639 -5.087 311 3HZ LYS 42 3HZ LYS 42 -17.119 -5.347 -3.620 312 H SER 43 HN SER 43 -9.594 -3.837 -3.546 313 HA SER 43 HA SER 43 -10.497 -1.083 -3.218 314 1HB SER 43 2HB SER 43 -11.010 -3.075 -1.491 315 2HB SER 43 3HB SER 43 -9.402 -2.687 -0.914 316 HG SER 43 HG SER 43 -11.601 -1.462 -0.200 317 H ALA 44 HN ALA 44 -7.750 -3.404 -2.847 318 HA ALA 44 HA ALA 44 -5.826 -1.640 -1.969 319 1HB ALA 44 1HB ALA 44 -5.413 -3.939 -3.915 320 2HB ALA 44 2HB ALA 44 -4.252 -3.299 -2.728 321 3HB ALA 44 3HB ALA 44 -5.707 -4.162 -2.173 322 H HIS 45 HN HIS 45 -7.494 -1.802 -5.029 323 HA HIS 45 HA HIS 45 -5.397 -0.350 -6.392 324 1HB HIS 45 2HB HIS 45 -7.886 -1.782 -7.163 325 2HB HIS 45 3HB HIS 45 -7.436 -0.414 -8.161 326 HD1 HIS 45 HD1 HIS 45 -7.198 -2.590 -9.904 327 HD2 HIS 45 HD2 HIS 45 -4.217 -2.045 -7.004 328 HE1 HIS 45 HE1 HIS 45 -5.172 -3.920 -10.704 329 H LYS 46 HN LYS 46 -7.413 0.515 -4.032 330 HA LYS 46 HA LYS 46 -8.074 3.074 -5.317 331 1HB LYS 46 2HB LYS 46 -9.805 1.199 -4.054 332 2HB LYS 46 3HB LYS 46 -9.695 2.592 -2.997 333 1HG LYS 46 2HG LYS 46 -10.417 4.103 -4.731 334 2HG LYS 46 3HG LYS 46 -10.154 2.911 -5.989 335 1HD LYS 46 2HD LYS 46 -12.485 2.807 -5.713 336 2HD LYS 46 3HD LYS 46 -11.949 1.480 -4.702 337 1HE LYS 46 2HE LYS 46 -12.161 4.199 -3.420 338 2HE LYS 46 3HE LYS 46 -13.656 3.369 -3.801 339 1HZ LYS 46 1HZ LYS 46 -13.314 1.967 -2.148 340 2HZ LYS 46 2HZ LYS 46 -11.777 1.639 -2.591 341 3HZ LYS 46 3HZ LYS 46 -12.095 2.927 -1.638 342 H ASP 47 HN ASP 47 -8.815 4.310 -2.779 343 HA ASP 47 HA ASP 47 -6.604 5.550 -2.090 344 1HB ASP 47 2HB ASP 47 -8.904 4.628 -0.325 345 2HB ASP 47 3HB ASP 47 -7.640 5.662 0.312 346 H ALA 48 HN ALA 48 -7.592 2.253 -1.142 347 HA ALA 48 HA ALA 48 -6.218 1.630 1.039 348 1HB ALA 48 1HB ALA 48 -5.713 -0.596 -0.190 349 2HB ALA 48 2HB ALA 48 -7.412 -0.083 -0.066 350 3HB ALA 48 3HB ALA 48 -6.521 0.154 -1.588 351 H CYS 49 HN CYS 49 -4.712 1.640 -2.275 352 HA CYS 49 HA CYS 49 -2.136 1.932 -0.913 353 1HB CYS 49 2HB CYS 49 -3.007 0.220 -3.037 354 2HB CYS 49 3HB CYS 49 -1.786 1.308 -3.665 355 H LYS 50 HN LYS 50 -3.426 2.663 -4.236 356 HA LYS 50 HA LYS 50 -1.905 4.914 -4.635 357 1HB LYS 50 2HB LYS 50 -3.570 5.461 -6.397 358 2HB LYS 50 3HB LYS 50 -2.998 3.806 -6.456 359 1HG LYS 50 2HG LYS 50 -5.058 2.933 -5.939 360 2HG LYS 50 3HG LYS 50 -5.397 4.167 -4.742 361 1HD LYS 50 2HD LYS 50 -5.357 5.449 -7.325 362 2HD LYS 50 3HD LYS 50 -6.340 4.006 -7.468 363 1HE LYS 50 2HE LYS 50 -8.010 4.873 -6.165 364 2HE LYS 50 3HE LYS 50 -6.884 5.477 -4.966 365 1HZ LYS 50 1HZ LYS 50 -6.871 7.466 -5.919 366 2HZ LYS 50 2HZ LYS 50 -6.785 6.888 -7.443 367 3HZ LYS 50 3HZ LYS 50 -8.231 6.998 -6.692 368 H THR 51 HN THR 51 -1.736 6.497 -3.100 369 HA THR 51 HA THR 51 -3.789 8.364 -2.835 370 HB THR 51 HB THR 51 -3.830 6.070 -0.928 371 HG1 THR 51 HG1 THR 51 -5.478 7.151 -2.503 372 1HG2 THR 51 1HG THR 51 -3.649 8.946 -0.021 373 2HG2 THR 51 2HG THR 51 -4.901 7.920 0.720 374 3HG2 THR 51 3HG THR 51 -3.186 7.461 0.846 375 H CYS 52 HN CYS 52 -1.584 7.093 -0.273 376 HA CYS 52 HA CYS 52 -0.439 9.691 -0.033 377 1HB CYS 52 2HB CYS 52 -0.549 8.689 2.011 378 2HB CYS 52 3HB CYS 52 -0.210 7.087 1.385 379 H HIS 53 HN HIS 53 0.532 6.427 -1.258 380 HA HIS 53 HA HIS 53 3.166 6.958 -1.796 381 1HB HIS 53 2HB HIS 53 1.295 4.906 -2.302 382 2HB HIS 53 3HB HIS 53 1.989 5.307 -3.861 383 HD1 HIS 53 HD1 HIS 53 4.909 6.011 -2.763 384 HD2 HIS 53 HD2 HIS 53 2.705 2.547 -1.900 385 HE1 HIS 53 HE1 HIS 53 6.610 4.228 -2.098 386 H LYS 54 HN LYS 54 0.284 7.404 -3.957 387 HA LYS 54 HA LYS 54 1.921 8.706 -5.926 388 1HB LYS 54 2HB LYS 54 -0.215 8.939 -7.148 389 2HB LYS 54 3HB LYS 54 0.125 7.287 -6.675 390 1HG LYS 54 2HG LYS 54 -1.528 7.281 -4.983 391 2HG LYS 54 3HG LYS 54 -1.523 9.026 -4.826 392 1HD LYS 54 2HD LYS 54 -2.404 9.016 -7.314 393 2HD LYS 54 3HD LYS 54 -2.792 7.336 -7.004 394 1HE LYS 54 2HE LYS 54 -4.786 8.491 -6.421 395 2HE LYS 54 3HE LYS 54 -4.025 8.173 -4.874 396 1HZ LYS 54 1HZ LYS 54 -2.967 10.452 -5.251 397 2HZ LYS 54 2HZ LYS 54 -4.162 10.688 -6.338 398 3HZ LYS 54 3HZ LYS 54 -4.528 10.387 -4.775 399 H SER 55 HN SER 55 2.694 10.238 -4.083 400 HA SER 55 HA SER 55 1.200 12.649 -4.464 401 1HB SER 55 2HB SER 55 0.421 11.337 -2.280 402 2HB SER 55 3HB SER 55 1.896 11.991 -1.599 403 HG SER 55 HG SER 55 0.604 13.674 -1.190 404 H ASN 56 HN ASN 56 3.883 11.020 -2.630 405 HA ASN 56 HA ASN 56 5.462 13.411 -2.933 406 1HB ASN 56 2HB ASN 56 5.808 10.785 -1.424 407 2HB ASN 56 3HB ASN 56 7.166 11.875 -1.626 408 1HD2 ASN 56 1HD ASN 56 7.212 12.106 0.641 409 2HD2 ASN 56 2HD ASN 56 6.127 13.166 1.477 410 H ASN 57 HN ASN 57 6.365 9.892 -3.103 411 HA ASN 57 HA ASN 57 7.118 10.185 -5.849 412 1HB ASN 57 2HB ASN 57 9.479 9.264 -5.302 413 2HB ASN 57 3HB ASN 57 9.203 10.953 -4.930 414 1HD2 ASN 57 1HD ASN 57 10.670 8.351 -3.825 415 2HD2 ASN 57 2HD ASN 57 10.553 8.543 -2.107 416 H GLY 58 HN GLY 58 6.315 8.270 -6.720 417 1HA GLY 58 1HA GLY 58 7.103 5.735 -6.089 418 2HA GLY 58 2HA GLY 58 5.730 6.019 -5.038 419 HA PRO 59 HA PRO 59 3.733 4.679 -8.779 420 1HB PRO 59 2HB PRO 59 1.583 3.499 -7.576 421 2HB PRO 59 3HB PRO 59 3.072 2.645 -7.929 422 1HG PRO 59 2HG PRO 59 2.073 3.631 -5.327 423 2HG PRO 59 3HG PRO 59 3.311 2.432 -5.645 424 1HD PRO 59 2HD PRO 59 3.724 5.151 -4.831 425 2HD PRO 59 3HD PRO 59 4.961 3.986 -5.262 426 H THR 60 HN THR 60 1.462 4.962 -9.730 427 HA THR 60 HA THR 60 -0.260 6.809 -8.571 428 HB THR 60 HB THR 60 1.560 8.444 -8.718 429 HG1 THR 60 HG1 THR 60 0.470 9.769 -10.517 430 1HG2 THR 60 1HG THR 60 2.567 7.038 -10.833 431 2HG2 THR 60 2HG THR 60 1.650 8.280 -11.718 432 3HG2 THR 60 3HG THR 60 2.927 8.763 -10.576 433 H LYS 61 HN LYS 61 1.278 5.815 -11.687 434 HA LYS 61 HA LYS 61 -1.414 5.744 -12.833 435 1HB LYS 61 2HB LYS 61 0.032 5.405 -14.986 436 2HB LYS 61 3HB LYS 61 -0.148 7.000 -14.282 437 1HG LYS 61 2HG LYS 61 2.022 6.856 -13.187 438 2HG LYS 61 3HG LYS 61 2.175 5.155 -13.576 439 1HD LYS 61 2HD LYS 61 1.739 6.386 -16.077 440 2HD LYS 61 3HD LYS 61 2.790 7.506 -15.235 441 1HE LYS 61 2HE LYS 61 4.543 6.154 -15.733 442 2HE LYS 61 3HE LYS 61 3.867 4.948 -14.656 443 1HZ LYS 61 1HZ LYS 61 2.987 5.215 -17.439 444 2HZ LYS 61 2HZ LYS 61 4.232 4.252 -17.003 445 3HZ LYS 61 3HZ LYS 61 2.732 3.960 -16.426 446 H CYS 62 HN CYS 62 0.977 3.813 -14.411 447 HA CYS 62 HA CYS 62 -0.281 1.436 -13.251 448 1HB CYS 62 2HB CYS 62 -0.386 2.176 -15.838 449 2HB CYS 62 3HB CYS 62 1.108 1.262 -15.869 450 H GLY 63 HN GLY 63 2.748 2.395 -15.046 451 1HA GLY 63 1HA GLY 63 4.349 0.413 -13.815 452 2HA GLY 63 2HA GLY 63 4.896 1.790 -14.751 453 H GLY 64 HN GLY 64 3.469 1.001 -11.502 454 1HA GLY 64 1HA GLY 64 5.320 2.998 -10.344 455 2HA GLY 64 2HA GLY 64 3.648 2.858 -9.839 456 H CYS 65 HN CYS 65 2.914 0.865 -8.758 457 HA CYS 65 HA CYS 65 4.978 -0.162 -7.074 458 1HB CYS 65 2HB CYS 65 3.022 -1.512 -6.133 459 2HB CYS 65 3HB CYS 65 3.016 0.227 -5.921 460 H HIS 66 HN HIS 66 2.783 -1.333 -9.698 461 HA HIS 66 HA HIS 66 3.671 -4.001 -9.556 462 1HB HIS 66 2HB HIS 66 1.989 -2.353 -11.375 463 2HB HIS 66 3HB HIS 66 2.683 -3.809 -12.058 464 HD1 HIS 66 HD1 HIS 66 1.483 -5.972 -11.580 465 HD2 HIS 66 HD2 HIS 66 0.367 -2.900 -8.950 466 HE1 HIS 66 HE1 HIS 66 -0.444 -6.892 -10.185 467 H ILE 67 HN ILE 67 5.817 -4.467 -9.791 468 HA ILE 67 HA ILE 67 7.423 -2.926 -11.603 469 HB ILE 67 HB ILE 67 7.997 -5.311 -9.844 470 1HG1 ILE 67 2HG ILE 67 9.375 -2.841 -9.209 471 2HG1 ILE 67 3HG ILE 67 7.642 -2.582 -9.241 472 1HG2 ILE 67 1HG ILE 67 10.273 -3.729 -10.822 473 2HG2 ILE 67 2HG ILE 67 10.080 -5.489 -10.646 474 3HG2 ILE 67 3HG ILE 67 9.433 -4.662 -12.083 475 1HD1 ILE 67 1HD ILE 67 7.293 -4.486 -7.698 476 2HD1 ILE 67 2HD ILE 67 9.042 -4.818 -7.701 477 3HD1 ILE 67 3HD ILE 67 8.424 -3.307 -6.990 478 H LYS 68 HN LYS 68 6.141 -3.356 -13.567 479 HA LYS 68 HA LYS 68 6.822 -5.996 -14.660 480 1HB LYS 68 2HB LYS 68 4.433 -5.895 -14.218 481 2HB LYS 68 3HB LYS 68 4.293 -4.378 -15.082 482 1HG LYS 68 2HG LYS 68 5.622 -6.405 -16.738 483 2HG LYS 68 3HG LYS 68 4.065 -6.981 -16.174 484 1HD LYS 68 2HD LYS 68 2.883 -5.177 -17.194 485 2HD LYS 68 3HD LYS 68 4.321 -4.186 -17.332 486 1HE LYS 68 2HE LYS 68 3.975 -4.972 -19.546 487 2HE LYS 68 3HE LYS 68 5.238 -6.021 -18.933 488 1HZ LYS 68 1HZ LYS 68 2.637 -6.696 -19.747 489 2HZ LYS 68 2HZ LYS 68 3.895 -7.682 -19.410 490 3HZ LYS 68 3HZ LYS 68 2.888 -7.207 -18.215 491 HHA HEC 98 HGM HEC 98 -4.721 -4.574 8.690 492 HHB HEC 98 HDM HEC 98 -2.468 -1.589 13.689 493 HHC HEC 98 HAM HEC 98 1.541 1.514 9.892 494 HHD HEC 98 HBM HEC 98 -1.146 -1.222 4.982 495 1HMA HEC 98 1HM HEC 98 -3.243 -3.534 14.455 496 2HMA HEC 98 2HM HEC 98 -4.992 -3.457 14.129 497 3HMA HEC 98 3HM HEC 98 -4.123 -5.002 13.965 498 1HAA HEC 98 1HA HEC 98 -5.520 -5.711 12.137 499 2HAA HEC 98 2HA HEC 98 -5.880 -5.248 10.457 500 1HBA HEC 98 3HB HEC 98 -4.950 -7.358 10.031 501 2HBA HEC 98 4HB HEC 98 -3.443 -6.413 10.054 502 1HMB HEC 98 1HM HEC 98 -1.504 -0.351 14.949 503 2HMB HEC 98 2HM HEC 98 -0.105 0.739 15.094 504 3HMB HEC 98 3HM HEC 98 -1.684 1.381 14.583 505 HAB HEC 98 HT2 HEC 98 1.871 2.219 11.747 506 1HBB HEC 98 1HT HEC 98 2.232 0.837 14.354 507 2HBB HEC 98 2HT HEC 98 3.089 0.553 12.820 508 3HBB HEC 98 3HT HEC 98 3.273 2.108 13.667 509 1HMC HEC 98 1HM HEC 98 1.892 3.167 7.399 510 2HMC HEC 98 2HM HEC 98 2.816 2.065 8.447 511 3HMC HEC 98 3HM HEC 98 3.005 1.979 6.680 512 HAC HEC 98 HT4 HEC 98 -0.393 1.364 4.513 513 1HBC HEC 98 1HT HEC 98 2.008 0.353 3.352 514 2HBC HEC 98 2HT HEC 98 1.424 -0.878 4.496 515 3HBC HEC 98 3HT HEC 98 0.358 -0.293 3.197 516 1HMD HEC 98 1HM HEC 98 -2.658 -3.885 3.567 517 2HMD HEC 98 2HM HEC 98 -3.830 -2.546 3.553 518 3HMD HEC 98 3HM HEC 98 -2.085 -2.200 3.586 519 1HAD HEC 98 1HA HEC 98 -4.891 -5.449 6.613 520 2HAD HEC 98 2HA HEC 98 -5.119 -4.619 5.055 521 1HBD HEC 98 3HB HEC 98 -2.607 -5.550 4.738 522 2HBD HEC 98 4HB HEC 98 -3.284 -6.802 5.807 523 HHA HEC 128 HGM HEC 128 9.361 2.836 -0.682 524 HHB HEC 128 HDM HEC 128 5.020 -1.320 -2.371 525 HHC HEC 128 HAM HEC 128 0.797 1.819 1.152 526 HHD HEC 128 HBM HEC 128 5.143 6.119 2.353 527 1HMA HEC 128 1HM HEC 128 8.245 -2.452 -2.015 528 2HMA HEC 128 2HM HEC 128 6.842 -2.112 -3.056 529 3HMA HEC 128 3HM HEC 128 8.463 -1.561 -3.541 530 1HAA HEC 128 1HA HEC 128 10.475 1.029 -0.870 531 2HAA HEC 128 2HA HEC 128 10.386 -0.571 -1.646 532 1HBA HEC 128 3HB HEC 128 11.409 1.106 -3.208 533 2HBA HEC 128 4HB HEC 128 9.850 0.530 -3.844 534 1HMB HEC 128 1HM HEC 128 2.843 -1.534 -3.425 535 2HMB HEC 128 2HM HEC 128 2.802 -2.758 -2.135 536 3HMB HEC 128 3HM HEC 128 1.298 -1.956 -2.648 537 HAB HEC 128 HT2 HEC 128 -0.226 0.339 0.235 538 1HBB HEC 128 1HT HEC 128 0.456 -2.552 0.183 539 2HBB HEC 128 2HT HEC 128 0.387 -1.450 1.578 540 3HBB HEC 128 3HT HEC 128 -1.097 -1.838 0.675 541 1HMC HEC 128 1HM HEC 128 0.087 3.334 3.447 542 2HMC HEC 128 2HM HEC 128 -0.217 4.931 2.723 543 3HMC HEC 128 3HM HEC 128 -0.421 3.459 1.746 544 HAC HEC 128 HT4 HEC 128 3.188 6.823 3.310 545 1HBC HEC 128 1HT HEC 128 0.959 5.612 4.313 546 2HBC HEC 128 2HT HEC 128 1.372 7.320 4.598 547 3HBC HEC 128 3HT HEC 128 0.210 6.885 3.321 548 1HMD HEC 128 1HM HEC 128 6.729 7.225 2.826 549 2HMD HEC 128 2HM HEC 128 8.496 7.036 2.741 550 3HMD HEC 128 3HM HEC 128 7.623 7.831 1.410 551 1HAD HEC 128 1HA HEC 128 10.183 5.273 2.083 552 2HAD HEC 128 2HA HEC 128 10.460 4.385 0.566 553 1HBD HEC 128 3HB HEC 128 10.038 6.398 -0.719 554 2HBD HEC 128 4HB HEC 128 9.673 7.297 0.773 555 HHA HEC 158 HGM HEC 158 -3.085 -7.891 -7.486 556 HHB HEC 158 HDM HEC 158 -2.913 -5.975 -13.424 557 HHC HEC 158 HAM HEC 158 -1.657 -0.112 -11.383 558 HHD HEC 158 HBM HEC 158 -1.413 -2.300 -5.555 559 1HMA HEC 158 1HM HEC 158 -3.404 -9.327 -12.693 560 2HMA HEC 158 2HM HEC 158 -5.069 -8.729 -12.499 561 3HMA HEC 158 3HM HEC 158 -3.906 -7.817 -13.489 562 1HAA HEC 158 1HA HEC 158 -4.190 -9.216 -8.367 563 2HAA HEC 158 2HA HEC 158 -5.187 -9.556 -9.800 564 1HBA HEC 158 3HB HEC 158 -2.881 -10.266 -10.918 565 2HBA HEC 158 4HB HEC 158 -2.307 -10.399 -9.239 566 1HMB HEC 158 1HM HEC 158 -1.831 -5.039 -15.030 567 2HMB HEC 158 2HM HEC 158 -3.101 -3.919 -15.574 568 3HMB HEC 158 3HM HEC 158 -1.392 -3.434 -15.658 569 HAB HEC 158 HT2 HEC 158 -0.957 -0.366 -13.754 570 1HBB HEC 158 1HT HEC 158 -3.103 0.305 -12.695 571 2HBB HEC 158 2HT HEC 158 -2.486 1.234 -14.083 572 3HBB HEC 158 3HT HEC 158 -3.824 0.082 -14.307 573 1HMC HEC 158 1HM HEC 158 -1.482 1.581 -10.416 574 2HMC HEC 158 2HM HEC 158 -1.438 2.215 -8.754 575 3HMC HEC 158 3HM HEC 158 0.064 1.675 -9.541 576 HAC HEC 158 HT4 HEC 158 -0.436 -0.387 -5.560 577 1HBC HEC 158 1HT HEC 158 -0.579 2.054 -5.123 578 2HBC HEC 158 2HT HEC 158 -1.125 2.313 -6.797 579 3HBC HEC 158 3HT HEC 158 -2.137 1.385 -5.665 580 1HMD HEC 158 1HM HEC 158 -1.595 -5.102 -3.162 581 2HMD HEC 158 2HM HEC 158 -0.674 -3.721 -3.806 582 3HMD HEC 158 3HM HEC 158 -2.412 -3.549 -3.462 583 1HAD HEC 158 1HA HEC 158 -2.568 -6.768 -3.675 584 2HAD HEC 158 2HA HEC 158 -4.041 -7.036 -4.638 585 1HBD HEC 158 3HB HEC 158 -1.718 -8.254 -5.873 586 2HBD HEC 158 4HB HEC 158 -1.970 -8.831 -4.209 Start of MODEL 29 1 H ALA 1 HN ALA 1 2.158 -8.606 8.945 2 HA ALA 1 HA ALA 1 2.974 -5.860 9.375 3 1HB ALA 1 1HB ALA 1 3.996 -7.143 11.474 4 2HB ALA 1 2HB ALA 1 2.257 -6.779 11.373 5 3HB ALA 1 3HB ALA 1 2.850 -8.406 10.964 6 H ASP 2 HN ASP 2 5.361 -5.632 10.257 7 HA ASP 2 HA ASP 2 7.416 -5.427 9.522 8 1HB ASP 2 2HB ASP 2 6.920 -8.176 10.331 9 2HB ASP 2 3HB ASP 2 8.148 -8.166 9.080 10 H VAL 3 HN VAL 3 5.327 -5.548 7.366 11 HA VAL 3 HA VAL 3 5.289 -5.470 5.151 12 HB VAL 3 HB VAL 3 7.188 -5.065 4.023 13 1HG1 VAL 3 1HG VAL 3 7.360 -4.180 6.534 14 2HG1 VAL 3 2HG VAL 3 8.795 -5.233 6.538 15 3HG1 VAL 3 3HG VAL 3 8.660 -3.917 5.347 16 1HG2 VAL 3 1HG VAL 3 9.360 -6.515 4.752 17 2HG2 VAL 3 2HG VAL 3 8.060 -7.662 5.162 18 3HG2 VAL 3 3HG VAL 3 8.198 -7.027 3.505 19 H VAL 4 HN VAL 4 4.703 -6.909 3.465 20 HA VAL 4 HA VAL 4 5.253 -9.734 4.022 21 HB VAL 4 HB VAL 4 2.571 -8.609 3.200 22 1HG1 VAL 4 1HG VAL 4 1.879 -10.975 3.995 23 2HG1 VAL 4 2HG VAL 4 2.668 -10.809 2.409 24 3HG1 VAL 4 3HG VAL 4 3.603 -11.378 3.812 25 1HG2 VAL 4 1HG VAL 4 3.193 -7.931 5.513 26 2HG2 VAL 4 2HG VAL 4 1.794 -9.030 5.456 27 3HG2 VAL 4 3HG VAL 4 3.395 -9.649 5.932 28 H THR 5 HN THR 5 5.259 -11.098 2.123 29 HA THR 5 HA THR 5 5.543 -9.535 -0.361 30 HB THR 5 HB THR 5 7.064 -11.935 0.764 31 HG1 THR 5 HG1 THR 5 8.762 -10.331 0.464 32 1HG2 THR 5 1HG THR 5 8.414 -11.472 -1.476 33 2HG2 THR 5 2HG THR 5 6.996 -12.547 -1.528 34 3HG2 THR 5 3HG THR 5 6.853 -10.857 -2.070 35 H TYR 6 HN TYR 6 4.071 -9.897 -1.888 36 HA TYR 6 HA TYR 6 2.584 -12.426 -1.703 37 1HB TYR 6 2HB TYR 6 2.048 -9.544 -2.571 38 2HB TYR 6 3HB TYR 6 1.055 -10.816 -3.254 39 HD1 TYR 6 HD1 TYR 6 2.309 -9.813 0.148 40 HD2 TYR 6 HD2 TYR 6 -0.983 -11.175 -2.222 41 HE1 TYR 6 HE1 TYR 6 0.799 -9.740 2.192 42 HE2 TYR 6 HE2 TYR 6 -2.482 -11.097 -0.169 43 HH TYR 6 HH TYR 6 -1.528 -9.540 2.701 44 H GLU 7 HN GLU 7 2.073 -13.570 -3.662 45 HA GLU 7 HA GLU 7 3.840 -12.804 -5.855 46 1HB GLU 7 2HB GLU 7 3.064 -15.572 -4.847 47 2HB GLU 7 3HB GLU 7 3.845 -15.310 -6.393 48 1HG GLU 7 2HG GLU 7 5.597 -13.917 -4.949 49 2HG GLU 7 3HG GLU 7 4.949 -14.847 -3.613 50 H ASN 8 HN ASN 8 2.880 -12.450 -7.829 51 HA ASN 8 HA ASN 8 0.176 -13.494 -8.126 52 1HB ASN 8 2HB ASN 8 1.228 -10.716 -8.868 53 2HB ASN 8 3HB ASN 8 -0.301 -11.339 -9.454 54 1HD2 ASN 8 1HD ASN 8 1.091 -9.460 -7.186 55 2HD2 ASN 8 2HD ASN 8 -0.075 -9.526 -5.908 56 H LYS 9 HN LYS 9 -0.393 -12.961 -10.724 57 HA LYS 9 HA LYS 9 1.820 -14.212 -12.158 58 1HB LYS 9 2HB LYS 9 -1.117 -14.348 -12.281 59 2HB LYS 9 3HB LYS 9 -0.354 -14.212 -13.853 60 1HG LYS 9 2HG LYS 9 1.127 -16.088 -12.165 61 2HG LYS 9 3HG LYS 9 -0.563 -16.543 -12.243 62 1HD LYS 9 2HD LYS 9 0.131 -15.813 -14.901 63 2HD LYS 9 3HD LYS 9 1.497 -16.739 -14.312 64 1HE LYS 9 2HE LYS 9 -1.099 -17.944 -13.558 65 2HE LYS 9 3HE LYS 9 -0.904 -17.800 -15.294 66 1HZ LYS 9 1HZ LYS 9 0.084 -19.791 -13.928 67 2HZ LYS 9 2HZ LYS 9 0.803 -19.239 -15.286 68 3HZ LYS 9 3HZ LYS 9 1.372 -18.791 -13.823 69 H LYS 10 HN LYS 10 1.661 -11.297 -11.324 70 HA LYS 10 HA LYS 10 1.868 -10.206 -14.044 71 1HB LYS 10 2HB LYS 10 -0.043 -9.479 -12.177 72 2HB LYS 10 3HB LYS 10 1.199 -8.264 -11.947 73 1HG LYS 10 2HG LYS 10 -0.003 -7.282 -13.683 74 2HG LYS 10 3HG LYS 10 1.194 -8.165 -14.609 75 1HD LYS 10 2HD LYS 10 -1.063 -9.911 -14.002 76 2HD LYS 10 3HD LYS 10 -1.643 -8.431 -14.740 77 1HE LYS 10 2HE LYS 10 0.039 -8.733 -16.600 78 2HE LYS 10 3HE LYS 10 0.534 -10.251 -15.876 79 1HZ LYS 10 1HZ LYS 10 -1.965 -10.769 -16.020 80 2HZ LYS 10 2HZ LYS 10 -1.997 -9.589 -17.147 81 3HZ LYS 10 3HZ LYS 10 -1.045 -10.898 -17.363 82 H GLY 11 HN GLY 11 2.621 -8.911 -10.751 83 1HA GLY 11 1HA GLY 11 5.455 -9.294 -11.129 84 2HA GLY 11 2HA GLY 11 4.934 -7.632 -11.328 85 H ASN 12 HN ASN 12 3.438 -10.080 -9.144 86 HA ASN 12 HA ASN 12 3.004 -10.008 -7.014 87 1HB ASN 12 2HB ASN 12 5.890 -8.987 -6.850 88 2HB ASN 12 3HB ASN 12 4.991 -9.625 -5.488 89 1HD2 ASN 12 1HD ASN 12 7.225 -10.853 -5.906 90 2HD2 ASN 12 2HD ASN 12 7.052 -12.396 -6.675 91 H VAL 13 HN VAL 13 3.641 -8.389 -4.825 92 HA VAL 13 HA VAL 13 3.753 -5.639 -5.432 93 HB VAL 13 HB VAL 13 1.586 -5.743 -6.274 94 1HG1 VAL 13 1HG VAL 13 0.360 -7.579 -5.939 95 2HG1 VAL 13 2HG VAL 13 1.311 -8.017 -4.500 96 3HG1 VAL 13 3HG VAL 13 -0.085 -6.924 -4.345 97 1HG2 VAL 13 1HG VAL 13 0.603 -4.155 -5.002 98 2HG2 VAL 13 2HG VAL 13 0.631 -5.162 -3.535 99 3HG2 VAL 13 3HG VAL 13 2.091 -4.274 -4.033 100 H THR 14 HN THR 14 5.442 -6.722 -3.834 101 HA THR 14 HA THR 14 4.719 -7.453 -1.268 102 HB THR 14 HB THR 14 7.166 -6.187 -2.562 103 HG1 THR 14 HG1 THR 14 7.804 -8.385 -2.290 104 1HG2 THR 14 1HG THR 14 6.904 -7.160 0.333 105 2HG2 THR 14 2HG THR 14 8.415 -6.675 -0.475 106 3HG2 THR 14 3HG THR 14 7.153 -5.464 -0.144 107 H PHE 15 HN PHE 15 4.180 -6.447 0.613 108 HA PHE 15 HA PHE 15 3.577 -3.608 0.328 109 1HB PHE 15 2HB PHE 15 2.835 -5.761 2.399 110 2HB PHE 15 3HB PHE 15 2.192 -4.131 2.405 111 HD1 PHE 15 HD1 PHE 15 0.440 -3.484 0.899 112 HD2 PHE 15 HD2 PHE 15 2.164 -7.352 0.633 113 HE1 PHE 15 HE1 PHE 15 -1.441 -4.219 -0.592 114 HE2 PHE 15 HE2 PHE 15 0.284 -8.088 -0.859 115 HZ PHE 15 HZ PHE 15 -1.496 -6.512 -1.453 116 H ASP 16 HN ASP 16 3.540 -2.716 2.920 117 HA ASP 16 HA ASP 16 6.046 -3.444 4.120 118 1HB ASP 16 2HB ASP 16 5.703 -0.499 3.873 119 2HB ASP 16 3HB ASP 16 7.165 -1.459 3.778 120 H HIS 17 HN HIS 17 5.452 -3.673 6.281 121 HA HIS 17 HA HIS 17 3.263 -1.992 7.236 122 1HB HIS 17 2HB HIS 17 3.630 -4.722 7.371 123 2HB HIS 17 3HB HIS 17 4.176 -4.200 8.952 124 HD1 HIS 17 HD1 HIS 17 2.361 -4.106 10.656 125 HD2 HIS 17 HD2 HIS 17 0.906 -3.439 6.779 126 HE1 HIS 17 HE1 HIS 17 -0.167 -3.839 10.878 127 H LYS 18 HN LYS 18 6.576 -3.194 8.044 128 HA LYS 18 HA LYS 18 6.726 -1.287 10.221 129 1HB LYS 18 2HB LYS 18 7.580 -3.503 10.639 130 2HB LYS 18 3HB LYS 18 8.607 -3.441 9.221 131 1HG LYS 18 2HG LYS 18 10.250 -2.449 10.422 132 2HG LYS 18 3HG LYS 18 9.191 -1.106 10.802 133 1HD LYS 18 2HD LYS 18 8.251 -2.375 12.733 134 2HD LYS 18 3HD LYS 18 9.273 -3.745 12.343 135 1HE LYS 18 2HE LYS 18 11.274 -2.587 12.936 136 2HE LYS 18 3HE LYS 18 10.513 -1.014 12.818 137 1HZ LYS 18 1HZ LYS 18 10.835 -1.854 15.101 138 2HZ LYS 18 2HZ LYS 18 9.290 -1.443 14.768 139 3HZ LYS 18 3HZ LYS 18 9.724 -3.016 14.814 140 H ALA 19 HN ALA 19 7.931 -1.822 6.897 141 HA ALA 19 HA ALA 19 9.876 0.209 6.959 142 1HB ALA 19 1HB ALA 19 10.312 -0.746 4.974 143 2HB ALA 19 2HB ALA 19 8.845 -1.739 5.147 144 3HB ALA 19 3HB ALA 19 8.759 -0.160 4.331 145 H HIS 20 HN HIS 20 6.350 0.139 6.368 146 HA HIS 20 HA HIS 20 6.329 2.840 5.427 147 1HB HIS 20 2HB HIS 20 4.305 0.697 5.937 148 2HB HIS 20 3HB HIS 20 3.749 2.358 5.885 149 HD1 HIS 20 HD1 HIS 20 3.269 -0.058 3.726 150 HD2 HIS 20 HD2 HIS 20 5.761 3.292 3.327 151 HE1 HIS 20 HE1 HIS 20 3.578 0.309 1.219 152 H ALA 21 HN ALA 21 4.876 1.180 8.324 153 HA ALA 21 HA ALA 21 4.040 3.280 9.738 154 1HB ALA 21 1HB ALA 21 5.103 1.837 11.749 155 2HB ALA 21 2HB ALA 21 3.682 1.291 10.828 156 3HB ALA 21 3HB ALA 21 5.296 0.656 10.432 157 H GLU 22 HN GLU 22 7.419 2.417 9.036 158 HA GLU 22 HA GLU 22 8.692 3.838 10.969 159 1HB GLU 22 2HB GLU 22 9.390 3.246 8.076 160 2HB GLU 22 3HB GLU 22 10.492 4.152 9.092 161 1HG GLU 22 2HG GLU 22 9.477 1.743 10.454 162 2HG GLU 22 3HG GLU 22 10.281 1.350 8.947 163 H LYS 23 HN LYS 23 7.700 5.011 7.670 164 HA LYS 23 HA LYS 23 8.249 7.730 8.526 165 1HB LYS 23 2HB LYS 23 7.715 6.380 5.893 166 2HB LYS 23 3HB LYS 23 7.486 8.111 6.044 167 1HG LYS 23 2HG LYS 23 9.995 7.358 7.313 168 2HG LYS 23 3HG LYS 23 9.947 6.698 5.690 169 1HD LYS 23 2HD LYS 23 10.175 8.754 4.732 170 2HD LYS 23 3HD LYS 23 8.928 9.454 5.746 171 1HE LYS 23 2HE LYS 23 10.440 10.270 7.275 172 2HE LYS 23 3HE LYS 23 11.439 8.832 7.209 173 1HZ LYS 23 1HZ LYS 23 12.114 11.140 6.125 174 2HZ LYS 23 2HZ LYS 23 12.686 9.705 5.597 175 3HZ LYS 23 3HZ LYS 23 11.442 10.424 4.822 176 H LEU 24 HN LEU 24 5.526 5.573 7.598 177 HA LEU 24 HA LEU 24 3.584 7.624 7.720 178 1HB LEU 24 2HB LEU 24 3.397 4.613 7.822 179 2HB LEU 24 3HB LEU 24 2.003 5.674 7.787 180 HG LEU 24 HG LEU 24 2.890 6.610 5.604 181 1HD1 LEU 24 1HD LEU 24 5.200 5.981 5.735 182 2HD1 LEU 24 2HD LEU 24 4.777 4.256 5.863 183 3HD1 LEU 24 3HD LEU 24 4.465 5.139 4.349 184 1HD2 LEU 24 1HD LEU 24 1.263 4.470 6.125 185 2HD2 LEU 24 2HD LEU 24 1.516 5.210 4.526 186 3HD2 LEU 24 3HD LEU 24 2.449 3.770 4.998 187 H GLY 25 HN GLY 25 2.358 5.115 9.609 188 1HA GLY 25 1HA GLY 25 3.211 5.274 12.129 189 2HA GLY 25 2HA GLY 25 2.391 6.814 11.968 190 H CYS 26 HN CYS 26 1.553 3.661 10.404 191 HA CYS 26 HA CYS 26 -0.227 2.385 10.525 192 1HB CYS 26 2HB CYS 26 -1.226 3.463 13.108 193 2HB CYS 26 3HB CYS 26 -1.116 1.809 12.541 194 H ASP 27 HN ASP 27 -1.441 5.253 12.404 195 HA ASP 27 HA ASP 27 -3.852 5.524 11.535 196 1HB ASP 27 2HB ASP 27 -3.070 7.283 12.898 197 2HB ASP 27 3HB ASP 27 -1.687 7.602 11.869 198 H ALA 28 HN ALA 28 -0.904 6.242 9.595 199 HA ALA 28 HA ALA 28 -1.833 7.590 7.468 200 1HB ALA 28 1HB ALA 28 -0.161 6.102 6.152 201 2HB ALA 28 2HB ALA 28 0.460 7.038 7.534 202 3HB ALA 28 3HB ALA 28 0.130 5.297 7.714 203 H CYS 29 HN CYS 29 -2.056 3.995 7.931 204 HA CYS 29 HA CYS 29 -4.024 3.989 5.768 205 1HB CYS 29 2HB CYS 29 -2.938 1.448 6.869 206 2HB CYS 29 3HB CYS 29 -3.423 1.855 5.235 207 H HIS 30 HN HIS 30 -3.277 2.812 9.114 208 HA HIS 30 HA HIS 30 -6.080 2.122 9.446 209 1HB HIS 30 2HB HIS 30 -3.795 1.691 11.384 210 2HB HIS 30 3HB HIS 30 -5.389 0.966 11.442 211 HD1 HIS 30 HD1 HIS 30 -5.707 -1.230 10.229 212 HD2 HIS 30 HD2 HIS 30 -2.174 0.738 9.115 213 HE1 HIS 30 HE1 HIS 30 -4.416 -2.862 8.753 214 H GLU 31 HN GLU 31 -5.781 2.562 12.441 215 HA GLU 31 HA GLU 31 -5.248 5.254 12.872 216 1HB GLU 31 2HB GLU 31 -7.561 5.083 11.460 217 2HB GLU 31 3HB GLU 31 -8.215 4.878 13.072 218 1HG GLU 31 2HG GLU 31 -6.687 6.974 13.658 219 2HG GLU 31 3HG GLU 31 -6.713 7.246 11.927 220 H GLY 32 HN GLY 32 -7.556 5.511 14.854 221 1HA GLY 32 1HA GLY 32 -6.393 4.640 17.141 222 2HA GLY 32 2HA GLY 32 -8.122 4.840 16.934 223 H THR 33 HN THR 33 -8.103 2.692 14.719 224 HA THR 33 HA THR 33 -7.366 0.301 16.169 225 HB THR 33 HB THR 33 -10.273 1.067 15.580 226 HG1 THR 33 HG1 THR 33 -10.187 0.562 18.008 227 1HG2 THR 33 1HG THR 33 -9.464 -1.468 15.275 228 2HG2 THR 33 2HG THR 33 -9.388 -1.429 17.053 229 3HG2 THR 33 3HG THR 33 -10.928 -1.106 16.221 230 HA PRO 34 HA PRO 34 -6.716 -0.408 11.900 231 1HB PRO 34 2HB PRO 34 -4.808 -2.340 12.203 232 2HB PRO 34 3HB PRO 34 -4.436 -0.628 12.138 233 1HG PRO 34 2HG PRO 34 -4.474 -2.427 14.483 234 2HG PRO 34 3HG PRO 34 -3.713 -0.858 14.315 235 1HD PRO 34 2HD PRO 34 -6.157 -1.439 15.700 236 2HD PRO 34 3HD PRO 34 -5.454 0.144 15.432 237 H ALA 35 HN ALA 35 -6.057 -3.497 13.385 238 HA ALA 35 HA ALA 35 -7.406 -5.309 13.540 239 1HB ALA 35 1HB ALA 35 -9.668 -5.248 13.066 240 2HB ALA 35 2HB ALA 35 -9.349 -3.507 13.255 241 3HB ALA 35 3HB ALA 35 -9.451 -4.223 11.627 242 H LYS 36 HN LYS 36 -8.026 -3.920 10.236 243 HA LYS 36 HA LYS 36 -6.002 -5.333 8.969 244 1HB LYS 36 2HB LYS 36 -6.906 -7.301 8.198 245 2HB LYS 36 3HB LYS 36 -7.583 -7.235 9.813 246 1HG LYS 36 2HG LYS 36 -9.624 -7.451 8.835 247 2HG LYS 36 3HG LYS 36 -9.449 -5.787 8.316 248 1HD LYS 36 2HD LYS 36 -9.655 -6.626 6.202 249 2HD LYS 36 3HD LYS 36 -7.973 -7.085 6.378 250 1HE LYS 36 2HE LYS 36 -8.547 -9.272 6.212 251 2HE LYS 36 3HE LYS 36 -9.518 -9.132 7.664 252 1HZ LYS 36 1HZ LYS 36 -11.205 -9.511 6.305 253 2HZ LYS 36 2HZ LYS 36 -11.048 -7.971 5.787 254 3HZ LYS 36 3HZ LYS 36 -10.352 -9.188 4.950 255 H ILE 37 HN ILE 37 -6.635 -5.514 6.448 256 HA ILE 37 HA ILE 37 -8.471 -3.353 5.778 257 HB ILE 37 HB ILE 37 -5.579 -3.439 4.908 258 1HG1 ILE 37 2HG ILE 37 -6.998 -1.364 6.601 259 2HG1 ILE 37 3HG ILE 37 -6.017 -2.656 7.262 260 1HG2 ILE 37 1HG ILE 37 -6.713 -2.634 3.043 261 2HG2 ILE 37 2HG ILE 37 -7.928 -1.778 4.022 262 3HG2 ILE 37 3HG ILE 37 -6.264 -1.153 3.921 263 1HD1 ILE 37 1HD ILE 37 -4.652 -1.212 5.078 264 2HD1 ILE 37 2HD ILE 37 -5.074 -0.164 6.454 265 3HD1 ILE 37 3HD ILE 37 -4.070 -1.612 6.712 266 H ALA 38 HN ALA 38 -8.931 -3.331 3.372 267 HA ALA 38 HA ALA 38 -8.776 -6.094 2.382 268 1HB ALA 38 1HB ALA 38 -10.776 -4.548 1.032 269 2HB ALA 38 2HB ALA 38 -11.000 -5.936 2.124 270 3HB ALA 38 3HB ALA 38 -10.965 -4.283 2.783 271 H ILE 39 HN ILE 39 -6.814 -5.977 1.248 272 HA ILE 39 HA ILE 39 -6.689 -3.882 -0.802 273 HB ILE 39 HB ILE 39 -4.566 -5.482 0.612 274 1HG1 ILE 39 2HG ILE 39 -5.442 -3.480 1.760 275 2HG1 ILE 39 3HG ILE 39 -3.749 -3.333 1.334 276 1HG2 ILE 39 1HG ILE 39 -3.477 -3.555 -1.227 277 2HG2 ILE 39 2HG ILE 39 -3.157 -5.301 -1.090 278 3HG2 ILE 39 3HG ILE 39 -4.503 -4.720 -2.099 279 1HD1 ILE 39 1HD ILE 39 -6.058 -1.752 0.402 280 2HD1 ILE 39 2HD ILE 39 -4.324 -1.345 0.387 281 3HD1 ILE 39 3HD ILE 39 -5.022 -2.317 -0.931 282 H ASP 40 HN ASP 40 -7.901 -4.745 -2.477 283 HA ASP 40 HA ASP 40 -6.688 -6.499 -4.152 284 1HB ASP 40 2HB ASP 40 -7.645 -7.977 -2.031 285 2HB ASP 40 3HB ASP 40 -9.033 -8.024 -3.100 286 H LYS 41 HN LYS 41 -8.092 -6.885 -6.092 287 HA LYS 41 HA LYS 41 -9.730 -6.430 -7.503 288 1HB LYS 41 2HB LYS 41 -11.537 -5.678 -5.199 289 2HB LYS 41 3HB LYS 41 -11.988 -6.277 -6.782 290 1HG LYS 41 2HG LYS 41 -10.761 -8.442 -6.241 291 2HG LYS 41 3HG LYS 41 -10.499 -7.836 -4.619 292 1HD LYS 41 2HD LYS 41 -12.565 -8.532 -4.006 293 2HD LYS 41 3HD LYS 41 -13.291 -7.480 -5.204 294 1HE LYS 41 2HE LYS 41 -13.056 -9.228 -6.941 295 2HE LYS 41 3HE LYS 41 -12.206 -10.271 -5.818 296 1HZ LYS 41 1HZ LYS 41 -14.892 -10.145 -6.181 297 2HZ LYS 41 2HZ LYS 41 -14.118 -10.926 -4.974 298 3HZ LYS 41 3HZ LYS 41 -14.664 -9.404 -4.744 299 H LYS 42 HN LYS 42 -11.819 -4.224 -6.845 300 HA LYS 42 HA LYS 42 -10.119 -2.082 -7.767 301 1HB LYS 42 2HB LYS 42 -13.084 -2.548 -7.578 302 2HB LYS 42 3HB LYS 42 -12.469 -0.923 -7.800 303 1HG LYS 42 2HG LYS 42 -11.617 -1.373 -9.926 304 2HG LYS 42 3HG LYS 42 -11.317 -3.063 -9.570 305 1HD LYS 42 2HD LYS 42 -13.167 -3.079 -11.082 306 2HD LYS 42 3HD LYS 42 -13.875 -3.382 -9.508 307 1HE LYS 42 2HE LYS 42 -13.647 -0.502 -10.315 308 2HE LYS 42 3HE LYS 42 -14.797 -1.464 -11.220 309 1HZ LYS 42 1HZ LYS 42 -15.150 -0.406 -8.730 310 2HZ LYS 42 2HZ LYS 42 -16.149 -1.443 -9.501 311 3HZ LYS 42 3HZ LYS 42 -15.013 -2.013 -8.476 312 H SER 43 HN SER 43 -9.194 -2.697 -5.307 313 HA SER 43 HA SER 43 -10.269 -0.497 -3.731 314 1HB SER 43 2HB SER 43 -10.420 -3.230 -3.036 315 2HB SER 43 3HB SER 43 -9.081 -2.618 -2.087 316 HG SER 43 HG SER 43 -10.876 -0.734 -1.791 317 H ALA 44 HN ALA 44 -7.521 -2.896 -3.815 318 HA ALA 44 HA ALA 44 -5.657 -1.218 -2.629 319 1HB ALA 44 1HB ALA 44 -5.745 -3.819 -3.394 320 2HB ALA 44 2HB ALA 44 -4.721 -3.157 -4.691 321 3HB ALA 44 3HB ALA 44 -4.234 -2.970 -2.989 322 H HIS 45 HN HIS 45 -7.151 -1.090 -5.759 323 HA HIS 45 HA HIS 45 -4.945 0.470 -6.837 324 1HB HIS 45 2HB HIS 45 -7.413 -0.779 -8.047 325 2HB HIS 45 3HB HIS 45 -6.468 0.413 -8.917 326 HD1 HIS 45 HD1 HIS 45 -6.224 -1.825 -10.548 327 HD2 HIS 45 HD2 HIS 45 -4.062 -1.784 -6.953 328 HE1 HIS 45 HE1 HIS 45 -4.390 -3.581 -10.797 329 H LYS 46 HN LYS 46 -7.558 0.950 -4.835 330 HA LYS 46 HA LYS 46 -8.221 3.541 -6.029 331 1HB LYS 46 2HB LYS 46 -9.885 1.582 -5.129 332 2HB LYS 46 3HB LYS 46 -9.739 2.560 -3.682 333 1HG LYS 46 2HG LYS 46 -10.657 4.477 -4.711 334 2HG LYS 46 3HG LYS 46 -10.230 3.947 -6.326 335 1HD LYS 46 2HD LYS 46 -11.922 2.027 -6.014 336 2HD LYS 46 3HD LYS 46 -12.452 2.839 -4.554 337 1HE LYS 46 2HE LYS 46 -12.434 4.906 -6.454 338 2HE LYS 46 3HE LYS 46 -12.985 3.524 -7.381 339 1HZ LYS 46 1HZ LYS 46 -14.889 3.493 -6.271 340 2HZ LYS 46 2HZ LYS 46 -14.197 3.713 -4.809 341 3HZ LYS 46 3HZ LYS 46 -14.519 4.999 -5.762 342 H ASP 47 HN ASP 47 -9.138 4.662 -3.480 343 HA ASP 47 HA ASP 47 -7.045 6.105 -2.753 344 1HB ASP 47 2HB ASP 47 -9.026 5.012 -0.709 345 2HB ASP 47 3HB ASP 47 -8.189 6.549 -0.637 346 H ALA 48 HN ALA 48 -7.757 2.732 -1.887 347 HA ALA 48 HA ALA 48 -6.435 2.234 0.376 348 1HB ALA 48 1HB ALA 48 -7.567 0.573 -1.100 349 2HB ALA 48 2HB ALA 48 -6.164 0.623 -2.194 350 3HB ALA 48 3HB ALA 48 -5.976 0.011 -0.533 351 H CYS 49 HN CYS 49 -4.672 1.748 -2.757 352 HA CYS 49 HA CYS 49 -2.235 2.444 -1.355 353 1HB CYS 49 2HB CYS 49 -2.723 1.264 -4.096 354 2HB CYS 49 3HB CYS 49 -1.137 1.652 -3.459 355 H LYS 50 HN LYS 50 -3.823 3.186 -4.555 356 HA LYS 50 HA LYS 50 -2.265 5.421 -5.097 357 1HB LYS 50 2HB LYS 50 -5.007 4.560 -6.046 358 2HB LYS 50 3HB LYS 50 -4.194 5.982 -6.667 359 1HG LYS 50 2HG LYS 50 -2.427 3.613 -6.610 360 2HG LYS 50 3HG LYS 50 -3.857 3.355 -7.591 361 1HD LYS 50 2HD LYS 50 -2.566 6.008 -7.994 362 2HD LYS 50 3HD LYS 50 -1.562 4.647 -8.450 363 1HE LYS 50 2HE LYS 50 -2.721 4.909 -10.441 364 2HE LYS 50 3HE LYS 50 -3.824 3.809 -9.637 365 1HZ LYS 50 1HZ LYS 50 -5.271 5.493 -9.180 366 2HZ LYS 50 2HZ LYS 50 -4.143 6.674 -9.233 367 3HZ LYS 50 3HZ LYS 50 -4.686 6.001 -10.618 368 H THR 51 HN THR 51 -2.005 7.034 -3.616 369 HA THR 51 HA THR 51 -3.839 8.992 -3.248 370 HB THR 51 HB THR 51 -4.351 6.619 -1.493 371 HG1 THR 51 HG1 THR 51 -5.782 9.070 -2.240 372 1HG2 THR 51 1HG THR 51 -5.293 8.121 0.296 373 2HG2 THR 51 2HG THR 51 -3.516 8.209 0.223 374 3HG2 THR 51 3HG THR 51 -4.502 9.509 -0.487 375 H CYS 52 HN CYS 52 -1.863 7.103 -0.855 376 HA CYS 52 HA CYS 52 -0.411 9.582 -0.368 377 1HB CYS 52 2HB CYS 52 -1.288 8.643 1.623 378 2HB CYS 52 3HB CYS 52 -0.722 7.035 1.217 379 H HIS 53 HN HIS 53 0.617 9.232 -2.588 380 HA HIS 53 HA HIS 53 3.107 7.894 -2.215 381 1HB HIS 53 2HB HIS 53 0.946 6.582 -3.699 382 2HB HIS 53 3HB HIS 53 2.404 6.775 -4.652 383 HD1 HIS 53 HD1 HIS 53 2.209 4.004 -4.363 384 HD2 HIS 53 HD2 HIS 53 3.476 6.245 -1.052 385 HE1 HIS 53 HE1 HIS 53 3.372 2.363 -2.793 386 H LYS 54 HN LYS 54 0.765 9.468 -4.469 387 HA LYS 54 HA LYS 54 2.919 10.566 -6.029 388 1HB LYS 54 2HB LYS 54 0.983 11.704 -7.217 389 2HB LYS 54 3HB LYS 54 1.028 9.953 -7.282 390 1HG LYS 54 2HG LYS 54 -0.752 9.712 -5.735 391 2HG LYS 54 3HG LYS 54 -0.515 11.310 -5.056 392 1HD LYS 54 2HD LYS 54 -1.072 11.892 -7.722 393 2HD LYS 54 3HD LYS 54 -2.078 10.485 -7.442 394 1HE LYS 54 2HE LYS 54 -3.447 12.344 -6.820 395 2HE LYS 54 3HE LYS 54 -2.912 11.659 -5.299 396 1HZ LYS 54 1HZ LYS 54 -2.034 13.606 -4.836 397 2HZ LYS 54 2HZ LYS 54 -0.998 13.479 -6.093 398 3HZ LYS 54 3HZ LYS 54 -2.442 14.214 -6.296 399 H SER 55 HN SER 55 3.782 11.430 -3.790 400 HA SER 55 HA SER 55 2.774 14.155 -3.622 401 1HB SER 55 2HB SER 55 2.070 12.616 -1.659 402 2HB SER 55 3HB SER 55 3.759 12.609 -1.194 403 HG SER 55 HG SER 55 1.939 14.439 -0.554 404 H ASN 56 HN ASN 56 5.444 11.889 -2.624 405 HA ASN 56 HA ASN 56 7.282 14.084 -3.165 406 1HB ASN 56 2HB ASN 56 7.054 12.527 -0.874 407 2HB ASN 56 3HB ASN 56 8.302 11.660 -1.746 408 1HD2 ASN 56 1HD ASN 56 7.961 13.733 0.604 409 2HD2 ASN 56 2HD ASN 56 9.321 14.787 0.410 410 H ASN 57 HN ASN 57 7.109 10.433 -3.147 411 HA ASN 57 HA ASN 57 8.134 10.437 -5.835 412 1HB ASN 57 2HB ASN 57 9.862 8.658 -5.182 413 2HB ASN 57 3HB ASN 57 10.230 10.276 -4.620 414 1HD2 ASN 57 1HD ASN 57 11.458 8.275 -3.400 415 2HD2 ASN 57 2HD ASN 57 10.843 7.982 -1.806 416 H GLY 58 HN GLY 58 6.222 9.387 -6.572 417 1HA GLY 58 1HA GLY 58 5.810 6.655 -5.572 418 2HA GLY 58 2HA GLY 58 4.460 7.773 -5.563 419 HA PRO 59 HA PRO 59 5.568 6.283 -9.939 420 1HB PRO 59 2HB PRO 59 5.589 3.553 -10.049 421 2HB PRO 59 3HB PRO 59 7.049 4.519 -9.973 422 1HG PRO 59 2HG PRO 59 5.776 2.917 -7.841 423 2HG PRO 59 3HG PRO 59 7.415 3.530 -7.923 424 1HD PRO 59 2HD PRO 59 5.262 4.592 -6.353 425 2HD PRO 59 3HD PRO 59 6.869 5.272 -6.525 426 H THR 60 HN THR 60 3.490 7.343 -9.923 427 HA THR 60 HA THR 60 1.260 5.485 -9.700 428 HB THR 60 HB THR 60 1.268 7.789 -8.632 429 HG1 THR 60 HG1 THR 60 -0.684 6.601 -9.433 430 1HG2 THR 60 1HG THR 60 0.731 8.874 -11.413 431 2HG2 THR 60 2HG THR 60 1.180 9.759 -9.936 432 3HG2 THR 60 3HG THR 60 2.406 8.817 -10.817 433 H LYS 61 HN LYS 61 3.333 5.279 -11.892 434 HA LYS 61 HA LYS 61 1.548 5.811 -14.158 435 1HB LYS 61 2HB LYS 61 3.906 5.266 -15.334 436 2HB LYS 61 3HB LYS 61 3.413 6.876 -14.852 437 1HG LYS 61 2HG LYS 61 4.583 6.569 -12.654 438 2HG LYS 61 3HG LYS 61 5.088 4.967 -13.152 439 1HD LYS 61 2HD LYS 61 6.406 5.890 -15.008 440 2HD LYS 61 3HD LYS 61 5.784 7.500 -14.706 441 1HE LYS 61 2HE LYS 61 7.064 7.787 -12.752 442 2HE LYS 61 3HE LYS 61 7.172 6.066 -12.439 443 1HZ LYS 61 1HZ LYS 61 8.799 7.703 -14.139 444 2HZ LYS 61 2HZ LYS 61 9.186 6.346 -13.318 445 3HZ LYS 61 3HZ LYS 61 8.426 6.239 -14.759 446 H CYS 62 HN CYS 62 0.517 3.784 -12.874 447 HA CYS 62 HA CYS 62 -0.077 1.679 -13.050 448 1HB CYS 62 2HB CYS 62 0.099 2.192 -15.518 449 2HB CYS 62 3HB CYS 62 1.682 1.440 -15.497 450 H GLY 63 HN GLY 63 0.625 -0.180 -11.956 451 1HA GLY 63 1HA GLY 63 2.048 -1.692 -11.056 452 2HA GLY 63 2HA GLY 63 3.343 -1.069 -12.057 453 H GLY 64 HN GLY 64 4.857 0.365 -11.198 454 1HA GLY 64 1HA GLY 64 5.914 1.642 -9.675 455 2HA GLY 64 2HA GLY 64 4.367 1.982 -8.926 456 H CYS 65 HN CYS 65 3.405 -0.365 -7.957 457 HA CYS 65 HA CYS 65 5.451 -1.059 -6.012 458 1HB CYS 65 2HB CYS 65 3.330 -2.215 -4.965 459 2HB CYS 65 3HB CYS 65 3.650 -0.504 -4.766 460 H HIS 66 HN HIS 66 3.728 -2.208 -8.833 461 HA HIS 66 HA HIS 66 4.016 -4.979 -8.221 462 1HB HIS 66 2HB HIS 66 2.960 -3.333 -10.464 463 2HB HIS 66 3HB HIS 66 3.523 -4.941 -10.875 464 HD1 HIS 66 HD1 HIS 66 2.196 -6.981 -9.905 465 HD2 HIS 66 HD2 HIS 66 0.610 -3.232 -8.893 466 HE1 HIS 66 HE1 HIS 66 -0.138 -7.420 -8.972 467 H ILE 67 HN ILE 67 6.248 -5.279 -7.743 468 HA ILE 67 HA ILE 67 8.366 -4.333 -9.174 469 HB ILE 67 HB ILE 67 8.115 -5.808 -7.003 470 1HG1 ILE 67 2HG ILE 67 10.602 -6.039 -8.712 471 2HG1 ILE 67 3HG ILE 67 10.123 -4.550 -7.921 472 1HG2 ILE 67 1HG ILE 67 7.402 -7.801 -8.418 473 2HG2 ILE 67 2HG ILE 67 9.101 -7.903 -8.941 474 3HG2 ILE 67 3HG ILE 67 8.688 -8.081 -7.219 475 1HD1 ILE 67 1HD ILE 67 10.440 -5.431 -5.754 476 2HD1 ILE 67 2HD ILE 67 10.290 -7.114 -6.313 477 3HD1 ILE 67 3HD ILE 67 11.763 -6.183 -6.676 478 H LYS 68 HN LYS 68 8.823 -4.411 -11.302 479 HA LYS 68 HA LYS 68 7.670 -6.564 -12.865 480 1HB LYS 68 2HB LYS 68 8.392 -5.212 -14.792 481 2HB LYS 68 3HB LYS 68 7.373 -4.311 -13.689 482 1HG LYS 68 2HG LYS 68 9.155 -2.992 -12.890 483 2HG LYS 68 3HG LYS 68 10.367 -4.189 -13.296 484 1HD LYS 68 2HD LYS 68 9.076 -3.444 -15.753 485 2HD LYS 68 3HD LYS 68 9.425 -1.958 -14.891 486 1HE LYS 68 2HE LYS 68 11.691 -2.183 -15.164 487 2HE LYS 68 3HE LYS 68 11.665 -3.895 -14.792 488 1HZ LYS 68 1HZ LYS 68 11.011 -2.642 -17.362 489 2HZ LYS 68 2HZ LYS 68 12.243 -3.663 -17.037 490 3HZ LYS 68 3HZ LYS 68 10.707 -4.214 -17.042 491 HHA HEC 98 HGM HEC 98 -4.092 -5.852 8.253 492 HHB HEC 98 HDM HEC 98 -1.971 -2.922 13.340 493 HHC HEC 98 HAM HEC 98 1.185 1.084 9.585 494 HHD HEC 98 HBM HEC 98 -1.398 -1.678 4.634 495 1HMA HEC 98 1HM HEC 98 -3.117 -6.580 13.411 496 2HMA HEC 98 2HM HEC 98 -2.311 -5.092 13.962 497 3HMA HEC 98 3HM HEC 98 -4.083 -5.138 13.802 498 1HAA HEC 98 1HA HEC 98 -4.467 -7.343 11.624 499 2HAA HEC 98 2HA HEC 98 -4.966 -6.851 9.989 500 1HBA HEC 98 3HB HEC 98 -3.715 -8.706 9.340 501 2HBA HEC 98 4HB HEC 98 -2.347 -7.581 9.504 502 1HMB HEC 98 1HM HEC 98 0.045 -0.222 14.775 503 2HMB HEC 98 2HM HEC 98 -1.692 -0.045 14.431 504 3HMB HEC 98 3HM HEC 98 -0.992 -1.665 14.668 505 HAB HEC 98 HT2 HEC 98 1.455 1.752 11.477 506 1HBB HEC 98 1HT HEC 98 2.489 0.419 13.911 507 2HBB HEC 98 2HT HEC 98 2.969 -0.019 12.253 508 3HBB HEC 98 3HT HEC 98 3.243 1.635 12.851 509 1HMC HEC 98 1HM HEC 98 2.638 1.673 7.478 510 2HMC HEC 98 2HM HEC 98 1.691 2.534 6.242 511 3HMC HEC 98 3HM HEC 98 1.289 2.727 7.964 512 HAC HEC 98 HT4 HEC 98 0.072 1.997 4.599 513 1HBC HEC 98 1HT HEC 98 -2.135 0.366 4.798 514 2HBC HEC 98 2HT HEC 98 -1.807 1.468 3.439 515 3HBC HEC 98 3HT HEC 98 -1.370 -0.253 3.316 516 1HMD HEC 98 1HM HEC 98 -1.925 -3.251 3.149 517 2HMD HEC 98 2HM HEC 98 -3.229 -4.461 3.128 518 3HMD HEC 98 3HM HEC 98 -3.622 -2.734 3.297 519 1HAD HEC 98 1HA HEC 98 -4.148 -6.646 6.116 520 2HAD HEC 98 2HA HEC 98 -4.840 -5.695 4.781 521 1HBD HEC 98 3HB HEC 98 -2.134 -6.096 4.133 522 2HBD HEC 98 4HB HEC 98 -2.745 -7.655 4.737 523 HHA HEC 128 HGM HEC 128 8.225 3.300 -0.902 524 HHB HEC 128 HDM HEC 128 3.965 -0.875 -2.743 525 HHC HEC 128 HAM HEC 128 -0.315 2.045 0.900 526 HHD HEC 128 HBM HEC 128 3.948 6.383 2.258 527 1HMA HEC 128 1HM HEC 128 7.562 -1.055 -3.789 528 2HMA HEC 128 2HM HEC 128 7.015 -2.016 -2.396 529 3HMA HEC 128 3HM HEC 128 5.844 -1.492 -3.628 530 1HAA HEC 128 1HA HEC 128 9.136 1.248 -3.008 531 2HAA HEC 128 2HA HEC 128 9.349 1.702 -1.300 532 1HBA HEC 128 3HB HEC 128 9.403 -0.673 -0.620 533 2HBA HEC 128 4HB HEC 128 9.003 -1.195 -2.273 534 1HMB HEC 128 1HM HEC 128 1.034 -2.369 -2.413 535 2HMB HEC 128 2HM HEC 128 0.539 -1.099 -3.556 536 3HMB HEC 128 3HM HEC 128 2.251 -1.564 -3.430 537 HAB HEC 128 HT2 HEC 128 -1.388 0.706 -0.402 538 1HBB HEC 128 1HT HEC 128 -2.040 -0.785 1.020 539 2HBB HEC 128 2HT HEC 128 -1.153 -2.122 0.249 540 3HBB HEC 128 3HT HEC 128 -0.286 -0.950 1.271 541 1HMC HEC 128 1HM HEC 128 -1.430 5.080 2.440 542 2HMC HEC 128 2HM HEC 128 -1.532 3.501 1.625 543 3HMC HEC 128 3HM HEC 128 -1.038 3.590 3.331 544 HAC HEC 128 HT4 HEC 128 1.984 7.014 3.234 545 1HBC HEC 128 1HT HEC 128 -0.347 5.690 4.058 546 2HBC HEC 128 2HT HEC 128 0.252 7.256 4.655 547 3HBC HEC 128 3HT HEC 128 -0.935 7.204 3.331 548 1HMD HEC 128 1HM HEC 128 5.374 7.774 2.308 549 2HMD HEC 128 2HM HEC 128 6.891 7.194 3.035 550 3HMD HEC 128 3HM HEC 128 6.924 8.059 1.481 551 1HAD HEC 128 1HA HEC 128 8.850 6.400 1.622 552 2HAD HEC 128 2HA HEC 128 9.265 4.715 1.229 553 1HBD HEC 128 3HB HEC 128 8.864 5.459 -1.226 554 2HBD HEC 128 4HB HEC 128 9.069 7.102 -0.571 555 HHA HEC 158 HGM HEC 158 -2.948 -7.793 -6.875 556 HHB HEC 158 HDM HEC 158 -2.524 -6.243 -12.907 557 HHC HEC 158 HAM HEC 158 -1.096 -0.321 -11.173 558 HHD HEC 158 HBM HEC 158 -1.112 -2.165 -5.223 559 1HMA HEC 158 1HM HEC 158 -4.183 -9.545 -11.624 560 2HMA HEC 158 2HM HEC 158 -4.501 -8.065 -12.559 561 3HMA HEC 158 3HM HEC 158 -2.888 -8.814 -12.599 562 1HAA HEC 158 1HA HEC 158 -3.978 -9.164 -7.707 563 2HAA HEC 158 2HA HEC 158 -5.082 -9.454 -9.073 564 1HBA HEC 158 3HB HEC 158 -2.798 -10.315 -10.253 565 2HBA HEC 158 4HB HEC 158 -2.324 -10.604 -8.562 566 1HMB HEC 158 1HM HEC 158 -2.202 -5.312 -14.664 567 2HMB HEC 158 2HM HEC 158 -1.990 -3.716 -15.420 568 3HMB HEC 158 3HM HEC 158 -0.570 -4.630 -14.859 569 HAB HEC 158 HT2 HEC 158 -0.336 -0.743 -13.503 570 1HBB HEC 158 1HT HEC 158 -1.808 0.695 -12.919 571 2HBB HEC 158 2HT HEC 158 -2.439 0.457 -14.566 572 3HBB HEC 158 3HT HEC 158 -3.184 -0.399 -13.197 573 1HMC HEC 158 1HM HEC 158 -1.004 1.477 -10.233 574 2HMC HEC 158 2HM HEC 158 -0.728 2.151 -8.610 575 3HMC HEC 158 3HM HEC 158 0.627 1.447 -9.522 576 HAC HEC 158 HT4 HEC 158 -0.505 0.077 -5.273 577 1HBC HEC 158 1HT HEC 158 0.229 2.337 -5.342 578 2HBC HEC 158 2HT HEC 158 0.737 2.207 -7.044 579 3HBC HEC 158 3HT HEC 158 -0.994 2.210 -6.629 580 1HMD HEC 158 1HM HEC 158 -2.276 -3.328 -3.052 581 2HMD HEC 158 2HM HEC 158 -1.373 -4.821 -2.696 582 3HMD HEC 158 3HM HEC 158 -0.530 -3.416 -3.392 583 1HAD HEC 158 1HA HEC 158 -2.572 -6.418 -3.112 584 2HAD HEC 158 2HA HEC 158 -3.948 -6.798 -4.174 585 1HBD HEC 158 3HB HEC 158 -1.604 -8.090 -5.182 586 2HBD HEC 158 4HB HEC 158 -1.782 -8.452 -3.448 Start of MODEL 30 1 H ALA 1 HN ALA 1 4.896 -10.391 10.310 2 HA ALA 1 HA ALA 1 7.083 -9.312 10.704 3 1HB ALA 1 1HB ALA 1 6.292 -10.824 8.624 4 2HB ALA 1 2HB ALA 1 6.692 -9.333 7.737 5 3HB ALA 1 3HB ALA 1 7.930 -10.136 8.733 6 H ASP 2 HN ASP 2 8.537 -7.702 9.188 7 HA ASP 2 HA ASP 2 7.384 -5.172 9.730 8 1HB ASP 2 2HB ASP 2 10.012 -6.109 8.517 9 2HB ASP 2 3HB ASP 2 9.610 -4.405 8.588 10 H VAL 3 HN VAL 3 8.279 -7.174 6.862 11 HA VAL 3 HA VAL 3 6.715 -5.327 5.203 12 HB VAL 3 HB VAL 3 9.395 -6.585 4.602 13 1HG1 VAL 3 1HG VAL 3 8.290 -4.819 2.544 14 2HG1 VAL 3 2HG VAL 3 9.059 -6.416 2.391 15 3HG1 VAL 3 3HG VAL 3 7.326 -6.297 2.777 16 1HG2 VAL 3 1HG VAL 3 9.936 -4.135 4.077 17 2HG2 VAL 3 2HG VAL 3 8.423 -3.739 4.925 18 3HG2 VAL 3 3HG VAL 3 9.735 -4.573 5.790 19 H VAL 4 HN VAL 4 5.288 -6.308 3.776 20 HA VAL 4 HA VAL 4 5.339 -9.248 3.805 21 HB VAL 4 HB VAL 4 2.787 -8.892 3.461 22 1HG1 VAL 4 1HG VAL 4 2.449 -8.902 5.934 23 2HG1 VAL 4 2HG VAL 4 3.702 -10.040 5.381 24 3HG1 VAL 4 3HG VAL 4 4.170 -8.496 6.135 25 1HG2 VAL 4 1HG VAL 4 3.070 -6.490 5.195 26 2HG2 VAL 4 2HG VAL 4 3.387 -6.265 3.458 27 3HG2 VAL 4 3HG VAL 4 1.817 -6.906 4.001 28 H THR 5 HN THR 5 4.224 -10.216 1.842 29 HA THR 5 HA THR 5 4.039 -8.499 -0.465 30 HB THR 5 HB THR 5 6.512 -8.915 -0.240 31 HG1 THR 5 HG1 THR 5 5.533 -8.778 -2.363 32 1HG2 THR 5 1HG THR 5 5.785 -11.492 0.568 33 2HG2 THR 5 2HG THR 5 6.250 -11.731 -1.134 34 3HG2 THR 5 3HG THR 5 7.408 -11.017 0.014 35 H TYR 6 HN TYR 6 2.151 -9.109 -1.305 36 HA TYR 6 HA TYR 6 1.365 -11.899 -1.006 37 1HB TYR 6 2HB TYR 6 0.026 -9.316 -2.026 38 2HB TYR 6 3HB TYR 6 -0.820 -10.845 -1.886 39 HD1 TYR 6 HD1 TYR 6 -1.670 -8.277 -0.551 40 HD2 TYR 6 HD2 TYR 6 0.825 -11.471 0.818 41 HE1 TYR 6 HE1 TYR 6 -2.273 -7.726 1.857 42 HE2 TYR 6 HE2 TYR 6 0.214 -10.909 3.221 43 HH TYR 6 HH TYR 6 -2.283 -9.358 4.128 44 H GLU 7 HN GLU 7 0.863 -13.267 -2.756 45 HA GLU 7 HA GLU 7 2.321 -12.679 -5.103 46 1HB GLU 7 2HB GLU 7 0.430 -14.981 -4.447 47 2HB GLU 7 3HB GLU 7 1.473 -14.920 -5.854 48 1HG GLU 7 2HG GLU 7 3.479 -14.800 -4.394 49 2HG GLU 7 3HG GLU 7 2.462 -14.777 -2.966 50 H ASN 8 HN ASN 8 1.614 -11.587 -6.885 51 HA ASN 8 HA ASN 8 -1.274 -11.320 -7.143 52 1HB ASN 8 2HB ASN 8 1.057 -9.493 -7.691 53 2HB ASN 8 3HB ASN 8 -0.292 -9.380 -8.805 54 1HD2 ASN 8 1HD ASN 8 0.910 -7.782 -6.436 55 2HD2 ASN 8 2HD ASN 8 -0.468 -7.287 -5.512 56 H LYS 9 HN LYS 9 1.555 -12.804 -8.387 57 HA LYS 9 HA LYS 9 1.751 -14.217 -10.113 58 1HB LYS 9 2HB LYS 9 -0.860 -14.191 -10.089 59 2HB LYS 9 3HB LYS 9 -0.705 -13.139 -11.480 60 1HG LYS 9 2HG LYS 9 -0.802 -15.297 -12.448 61 2HG LYS 9 3HG LYS 9 0.913 -14.937 -12.450 62 1HD LYS 9 2HD LYS 9 1.180 -16.212 -10.308 63 2HD LYS 9 3HD LYS 9 -0.534 -16.578 -10.316 64 1HE LYS 9 2HE LYS 9 0.568 -17.295 -12.900 65 2HE LYS 9 3HE LYS 9 1.582 -17.992 -11.653 66 1HZ LYS 9 1HZ LYS 9 -0.530 -18.793 -10.630 67 2HZ LYS 9 2HZ LYS 9 -1.305 -18.355 -11.999 68 3HZ LYS 9 3HZ LYS 9 -0.138 -19.495 -12.051 69 H LYS 10 HN LYS 10 0.520 -10.925 -10.996 70 HA LYS 10 HA LYS 10 2.828 -10.739 -12.806 71 1HB LYS 10 2HB LYS 10 0.089 -9.469 -13.101 72 2HB LYS 10 3HB LYS 10 1.458 -9.177 -14.155 73 1HG LYS 10 2HG LYS 10 0.719 -10.946 -15.382 74 2HG LYS 10 3HG LYS 10 1.343 -11.964 -14.099 75 1HD LYS 10 2HD LYS 10 -0.862 -12.710 -14.163 76 2HD LYS 10 3HD LYS 10 -1.004 -11.457 -12.945 77 1HE LYS 10 2HE LYS 10 -1.667 -9.829 -14.786 78 2HE LYS 10 3HE LYS 10 -1.663 -11.169 -15.915 79 1HZ LYS 10 1HZ LYS 10 -3.220 -12.225 -14.192 80 2HZ LYS 10 2HZ LYS 10 -3.457 -10.696 -13.673 81 3HZ LYS 10 3HZ LYS 10 -3.818 -11.100 -15.214 82 H GLY 11 HN GLY 11 3.849 -10.178 -10.600 83 1HA GLY 11 1HA GLY 11 5.035 -8.293 -9.853 84 2HA GLY 11 2HA GLY 11 3.697 -7.258 -10.309 85 H ASN 12 HN ASN 12 5.012 -9.434 -7.847 86 HA ASN 12 HA ASN 12 2.720 -9.539 -6.258 87 1HB ASN 12 2HB ASN 12 5.687 -9.816 -5.544 88 2HB ASN 12 3HB ASN 12 4.384 -10.207 -4.440 89 1HD2 ASN 12 1HD ASN 12 4.924 -12.346 -4.292 90 2HD2 ASN 12 2HD ASN 12 4.681 -13.497 -5.563 91 H VAL 13 HN VAL 13 1.984 -8.075 -4.658 92 HA VAL 13 HA VAL 13 3.126 -5.465 -4.673 93 HB VAL 13 HB VAL 13 0.691 -6.070 -4.517 94 1HG1 VAL 13 1HG VAL 13 -0.231 -7.112 -2.732 95 2HG1 VAL 13 2HG VAL 13 1.419 -7.736 -2.495 96 3HG1 VAL 13 3HG VAL 13 0.861 -6.322 -1.570 97 1HG2 VAL 13 1HG VAL 13 2.055 -4.152 -2.640 98 2HG2 VAL 13 2HG VAL 13 1.121 -3.821 -4.119 99 3HG2 VAL 13 3HG VAL 13 0.281 -4.311 -2.628 100 H THR 14 HN THR 14 5.215 -5.450 -3.837 101 HA THR 14 HA THR 14 5.850 -6.873 -1.442 102 HB THR 14 HB THR 14 7.255 -4.828 -3.225 103 HG1 THR 14 HG1 THR 14 8.153 -6.774 -3.959 104 1HG2 THR 14 1HG THR 14 7.918 -5.476 -0.497 105 2HG2 THR 14 2HG THR 14 9.047 -6.368 -1.546 106 3HG2 THR 14 3HG THR 14 8.918 -4.596 -1.679 107 H PHE 15 HN PHE 15 3.734 -5.781 -0.477 108 HA PHE 15 HA PHE 15 3.644 -3.192 0.307 109 1HB PHE 15 2HB PHE 15 2.928 -5.874 1.581 110 2HB PHE 15 3HB PHE 15 2.609 -4.404 2.479 111 HD1 PHE 15 HD1 PHE 15 0.753 -6.630 1.135 112 HD2 PHE 15 HD2 PHE 15 1.792 -2.625 0.191 113 HE1 PHE 15 HE1 PHE 15 -1.422 -6.354 -0.087 114 HE2 PHE 15 HE2 PHE 15 -0.383 -2.349 -1.031 115 HZ PHE 15 HZ PHE 15 -1.963 -4.216 -1.156 116 H ASP 16 HN ASP 16 3.859 -2.456 2.762 117 HA ASP 16 HA ASP 16 6.267 -3.527 3.926 118 1HB ASP 16 2HB ASP 16 5.919 -0.671 2.940 119 2HB ASP 16 3HB ASP 16 7.024 -1.035 4.251 120 H HIS 17 HN HIS 17 5.977 -3.563 6.176 121 HA HIS 17 HA HIS 17 3.719 -2.014 7.194 122 1HB HIS 17 2HB HIS 17 4.285 -4.695 7.412 123 2HB HIS 17 3HB HIS 17 4.917 -4.077 8.925 124 HD1 HIS 17 HD1 HIS 17 3.159 -4.710 10.603 125 HD2 HIS 17 HD2 HIS 17 1.523 -2.945 7.168 126 HE1 HIS 17 HE1 HIS 17 0.667 -4.422 11.066 127 H LYS 18 HN LYS 18 7.147 -2.949 7.887 128 HA LYS 18 HA LYS 18 7.265 -0.879 9.919 129 1HB LYS 18 2HB LYS 18 8.325 -3.367 9.838 130 2HB LYS 18 3HB LYS 18 9.675 -2.459 9.189 131 1HG LYS 18 2HG LYS 18 9.999 -2.458 11.562 132 2HG LYS 18 3HG LYS 18 9.415 -0.851 11.177 133 1HD LYS 18 2HD LYS 18 7.019 -1.968 11.628 134 2HD LYS 18 3HD LYS 18 7.965 -3.121 12.547 135 1HE LYS 18 2HE LYS 18 8.705 -0.291 13.075 136 2HE LYS 18 3HE LYS 18 7.050 -0.673 13.504 137 1HZ LYS 18 1HZ LYS 18 9.378 -2.245 14.368 138 2HZ LYS 18 2HZ LYS 18 8.634 -1.112 15.281 139 3HZ LYS 18 3HZ LYS 18 7.830 -2.465 14.845 140 H ALA 19 HN ALA 19 8.548 -1.694 6.661 141 HA ALA 19 HA ALA 19 10.346 0.432 6.483 142 1HB ALA 19 1HB ALA 19 9.624 0.002 3.905 143 2HB ALA 19 2HB ALA 19 10.707 -1.084 4.808 144 3HB ALA 19 3HB ALA 19 8.980 -1.481 4.649 145 H HIS 20 HN HIS 20 6.815 0.205 6.111 146 HA HIS 20 HA HIS 20 6.673 2.824 4.929 147 1HB HIS 20 2HB HIS 20 4.768 0.616 5.555 148 2HB HIS 20 3HB HIS 20 4.114 2.240 5.483 149 HD1 HIS 20 HD1 HIS 20 3.431 -0.014 3.384 150 HD2 HIS 20 HD2 HIS 20 6.300 3.001 2.860 151 HE1 HIS 20 HE1 HIS 20 3.738 0.252 0.864 152 H ALA 21 HN ALA 21 5.267 1.304 7.924 153 HA ALA 21 HA ALA 21 4.392 3.477 9.205 154 1HB ALA 21 1HB ALA 21 5.353 2.195 11.321 155 2HB ALA 21 2HB ALA 21 4.058 1.478 10.333 156 3HB ALA 21 3HB ALA 21 5.743 0.947 10.113 157 H GLU 22 HN GLU 22 7.825 2.282 9.326 158 HA GLU 22 HA GLU 22 8.945 4.022 10.944 159 1HB GLU 22 2HB GLU 22 11.008 3.863 9.571 160 2HB GLU 22 3HB GLU 22 10.207 2.312 9.715 161 1HG GLU 22 2HG GLU 22 10.031 2.162 7.461 162 2HG GLU 22 3HG GLU 22 9.094 3.641 7.415 163 H LYS 23 HN LYS 23 7.565 4.782 7.760 164 HA LYS 23 HA LYS 23 8.532 7.534 8.028 165 1HB LYS 23 2HB LYS 23 8.054 5.730 5.768 166 2HB LYS 23 3HB LYS 23 7.306 7.298 5.549 167 1HG LYS 23 2HG LYS 23 10.081 7.371 6.653 168 2HG LYS 23 3HG LYS 23 9.954 6.757 5.017 169 1HD LYS 23 2HD LYS 23 8.748 8.794 4.301 170 2HD LYS 23 3HD LYS 23 8.728 9.396 5.947 171 1HE LYS 23 2HE LYS 23 10.976 9.988 5.917 172 2HE LYS 23 3HE LYS 23 11.424 8.676 4.843 173 1HZ LYS 23 1HZ LYS 23 11.507 10.853 3.789 174 2HZ LYS 23 2HZ LYS 23 10.457 9.859 3.028 175 3HZ LYS 23 3HZ LYS 23 9.899 11.044 4.004 176 H LEU 24 HN LEU 24 5.578 5.530 7.431 177 HA LEU 24 HA LEU 24 3.873 7.811 7.659 178 1HB LEU 24 2HB LEU 24 3.293 4.846 7.613 179 2HB LEU 24 3HB LEU 24 2.076 6.107 7.574 180 HG LEU 24 HG LEU 24 3.076 6.945 5.438 181 1HD1 LEU 24 1HD LEU 24 4.566 5.366 4.191 182 2HD1 LEU 24 2HD LEU 24 5.326 6.155 5.594 183 3HD1 LEU 24 3HD LEU 24 4.786 4.462 5.709 184 1HD2 LEU 24 1HD LEU 24 1.139 5.258 5.688 185 2HD2 LEU 24 2HD LEU 24 1.905 5.445 4.093 186 3HD2 LEU 24 3HD LEU 24 2.314 4.049 5.118 187 H GLY 25 HN GLY 25 2.501 5.242 9.414 188 1HA GLY 25 1HA GLY 25 3.471 5.258 11.926 189 2HA GLY 25 2HA GLY 25 2.615 6.786 11.857 190 H CYS 26 HN CYS 26 1.746 3.768 10.084 191 HA CYS 26 HA CYS 26 0.029 2.404 10.245 192 1HB CYS 26 2HB CYS 26 -0.978 3.423 12.851 193 2HB CYS 26 3HB CYS 26 -0.854 1.781 12.253 194 H ASP 27 HN ASP 27 -0.782 5.607 11.777 195 HA ASP 27 HA ASP 27 -3.383 5.680 10.893 196 1HB ASP 27 2HB ASP 27 -1.406 7.945 11.427 197 2HB ASP 27 3HB ASP 27 -3.123 8.201 11.189 198 H ALA 28 HN ALA 28 -2.817 4.743 8.606 199 HA ALA 28 HA ALA 28 -2.555 6.998 6.772 200 1HB ALA 28 1HB ALA 28 -0.412 6.342 6.386 201 2HB ALA 28 2HB ALA 28 -0.666 4.736 7.111 202 3HB ALA 28 3HB ALA 28 -1.177 5.045 5.435 203 H CYS 29 HN CYS 29 -2.964 3.383 6.926 204 HA CYS 29 HA CYS 29 -5.228 3.744 5.103 205 1HB CYS 29 2HB CYS 29 -4.698 1.109 4.905 206 2HB CYS 29 3HB CYS 29 -4.054 2.335 3.831 207 H HIS 30 HN HIS 30 -4.253 3.168 8.308 208 HA HIS 30 HA HIS 30 -6.559 1.460 8.847 209 1HB HIS 30 2HB HIS 30 -4.194 2.165 10.607 210 2HB HIS 30 3HB HIS 30 -5.502 1.081 11.041 211 HD1 HIS 30 HD1 HIS 30 -5.787 -0.886 8.882 212 HD2 HIS 30 HD2 HIS 30 -2.030 0.703 9.859 213 HE1 HIS 30 HE1 HIS 30 -4.059 -2.547 8.007 214 H GLU 31 HN GLU 31 -7.134 2.133 11.476 215 HA GLU 31 HA GLU 31 -7.194 4.736 12.165 216 1HB GLU 31 2HB GLU 31 -8.940 4.285 9.895 217 2HB GLU 31 3HB GLU 31 -9.915 4.722 11.284 218 1HG GLU 31 2HG GLU 31 -8.377 6.701 11.678 219 2HG GLU 31 3HG GLU 31 -7.527 6.289 10.203 220 H GLY 32 HN GLY 32 -7.251 4.040 14.287 221 1HA GLY 32 1HA GLY 32 -8.185 3.359 16.220 222 2HA GLY 32 2HA GLY 32 -9.737 3.268 15.412 223 H THR 33 HN THR 33 -6.797 1.499 16.326 224 HA THR 33 HA THR 33 -6.397 -0.676 16.564 225 HB THR 33 HB THR 33 -9.357 -1.164 15.978 226 HG1 THR 33 HG1 THR 33 -7.956 -0.458 18.457 227 1HG2 THR 33 1HG THR 33 -9.063 -2.897 17.750 228 2HG2 THR 33 2HG THR 33 -7.950 -3.197 16.393 229 3HG2 THR 33 3HG THR 33 -7.344 -2.457 17.894 230 HA PRO 34 HA PRO 34 -5.777 -1.428 12.293 231 1HB PRO 34 2HB PRO 34 -3.323 -2.602 12.551 232 2HB PRO 34 3HB PRO 34 -3.542 -0.874 12.366 233 1HG PRO 34 2HG PRO 34 -2.854 -2.404 14.799 234 2HG PRO 34 3HG PRO 34 -2.665 -0.689 14.490 235 1HD PRO 34 2HD PRO 34 -4.698 -1.932 16.087 236 2HD PRO 34 3HD PRO 34 -4.575 -0.231 15.684 237 H ALA 35 HN ALA 35 -5.969 -3.170 10.863 238 HA ALA 35 HA ALA 35 -5.849 -5.795 12.011 239 1HB ALA 35 1HB ALA 35 -8.477 -5.620 10.870 240 2HB ALA 35 2HB ALA 35 -8.016 -6.044 12.536 241 3HB ALA 35 3HB ALA 35 -8.316 -4.344 12.100 242 H LYS 36 HN LYS 36 -6.748 -7.408 10.186 243 HA LYS 36 HA LYS 36 -5.190 -6.838 7.902 244 1HB LYS 36 2HB LYS 36 -5.650 -9.020 7.257 245 2HB LYS 36 3HB LYS 36 -5.740 -9.102 9.005 246 1HG LYS 36 2HG LYS 36 -7.728 -10.182 8.489 247 2HG LYS 36 3HG LYS 36 -8.325 -8.537 8.576 248 1HD LYS 36 2HD LYS 36 -9.180 -9.082 6.499 249 2HD LYS 36 3HD LYS 36 -7.605 -8.520 5.977 250 1HE LYS 36 2HE LYS 36 -7.278 -10.561 5.035 251 2HE LYS 36 3HE LYS 36 -7.162 -11.223 6.654 252 1HZ LYS 36 1HZ LYS 36 -9.841 -10.888 6.111 253 2HZ LYS 36 2HZ LYS 36 -9.193 -11.586 4.783 254 3HZ LYS 36 3HZ LYS 36 -9.021 -12.294 6.244 255 H ILE 37 HN ILE 37 -5.741 -5.261 6.485 256 HA ILE 37 HA ILE 37 -8.464 -4.533 6.094 257 HB ILE 37 HB ILE 37 -5.912 -3.733 4.695 258 1HG1 ILE 37 2HG ILE 37 -7.525 -2.474 6.927 259 2HG1 ILE 37 3HG ILE 37 -5.880 -3.073 7.004 260 1HG2 ILE 37 1HG ILE 37 -7.246 -1.808 3.846 261 2HG2 ILE 37 2HG ILE 37 -7.723 -3.380 3.160 262 3HG2 ILE 37 3HG ILE 37 -8.717 -2.623 4.428 263 1HD1 ILE 37 1HD ILE 37 -5.651 -0.712 6.769 264 2HD1 ILE 37 2HD ILE 37 -5.331 -1.353 5.139 265 3HD1 ILE 37 3HD ILE 37 -6.915 -0.632 5.517 266 H ALA 38 HN ALA 38 -9.422 -4.430 3.809 267 HA ALA 38 HA ALA 38 -9.010 -7.063 2.603 268 1HB ALA 38 1HB ALA 38 -11.296 -5.460 3.290 269 2HB ALA 38 2HB ALA 38 -11.274 -5.693 1.526 270 3HB ALA 38 3HB ALA 38 -11.254 -7.104 2.609 271 H ILE 39 HN ILE 39 -7.148 -6.660 1.332 272 HA ILE 39 HA ILE 39 -7.367 -4.468 -0.582 273 HB ILE 39 HB ILE 39 -5.054 -6.245 0.203 274 1HG1 ILE 39 2HG ILE 39 -5.748 -4.649 1.946 275 2HG1 ILE 39 3HG ILE 39 -4.156 -4.293 1.305 276 1HG2 ILE 39 1HG ILE 39 -4.167 -3.943 -1.179 277 2HG2 ILE 39 2HG ILE 39 -4.049 -5.648 -1.680 278 3HG2 ILE 39 3HG ILE 39 -5.459 -4.673 -2.163 279 1HD1 ILE 39 1HD ILE 39 -5.225 -2.176 1.373 280 2HD1 ILE 39 2HD ILE 39 -5.380 -2.667 -0.330 281 3HD1 ILE 39 3HD ILE 39 -6.766 -2.836 0.775 282 H ASP 40 HN ASP 40 -7.555 -4.785 -2.789 283 HA ASP 40 HA ASP 40 -6.969 -7.112 -4.091 284 1HB ASP 40 2HB ASP 40 -9.551 -7.176 -2.700 285 2HB ASP 40 3HB ASP 40 -9.780 -7.331 -4.430 286 H LYS 41 HN LYS 41 -10.093 -5.239 -4.150 287 HA LYS 41 HA LYS 41 -9.088 -3.769 -6.473 288 1HB LYS 41 2HB LYS 41 -11.614 -5.415 -6.306 289 2HB LYS 41 3HB LYS 41 -11.468 -4.075 -7.424 290 1HG LYS 41 2HG LYS 41 -9.067 -5.438 -7.824 291 2HG LYS 41 3HG LYS 41 -10.188 -6.748 -7.512 292 1HD LYS 41 2HD LYS 41 -11.446 -4.811 -9.283 293 2HD LYS 41 3HD LYS 41 -9.877 -5.250 -9.929 294 1HE LYS 41 2HE LYS 41 -10.967 -7.706 -9.063 295 2HE LYS 41 3HE LYS 41 -12.335 -6.859 -9.759 296 1HZ LYS 41 1HZ LYS 41 -11.228 -6.650 -11.778 297 2HZ LYS 41 2HZ LYS 41 -9.766 -7.028 -11.154 298 3HZ LYS 41 3HZ LYS 41 -10.910 -8.183 -11.311 299 H LYS 42 HN LYS 42 -9.827 -1.629 -6.633 300 HA LYS 42 HA LYS 42 -10.795 0.265 -6.004 301 1HB LYS 42 2HB LYS 42 -12.681 -1.690 -5.081 302 2HB LYS 42 3HB LYS 42 -12.556 -0.427 -3.873 303 1HG LYS 42 2HG LYS 42 -12.854 1.293 -5.715 304 2HG LYS 42 3HG LYS 42 -13.109 -0.019 -6.849 305 1HD LYS 42 2HD LYS 42 -15.228 -0.470 -6.066 306 2HD LYS 42 3HD LYS 42 -14.786 -0.185 -4.394 307 1HE LYS 42 2HE LYS 42 -14.716 2.264 -6.075 308 2HE LYS 42 3HE LYS 42 -16.305 1.536 -5.964 309 1HZ LYS 42 1HZ LYS 42 -14.659 2.635 -3.845 310 2HZ LYS 42 2HZ LYS 42 -16.261 2.810 -4.109 311 3HZ LYS 42 3HZ LYS 42 -15.686 1.423 -3.466 312 H SER 43 HN SER 43 -10.407 -1.884 -3.097 313 HA SER 43 HA SER 43 -9.208 0.355 -1.737 314 1HB SER 43 2HB SER 43 -10.317 -2.320 -0.939 315 2HB SER 43 3HB SER 43 -9.077 -1.635 0.093 316 HG SER 43 HG SER 43 -11.311 -0.024 -0.735 317 H ALA 44 HN ALA 44 -7.550 -0.174 -3.782 318 HA ALA 44 HA ALA 44 -5.143 -0.845 -2.581 319 1HB ALA 44 1HB ALA 44 -5.775 -3.031 -4.521 320 2HB ALA 44 2HB ALA 44 -4.732 -3.048 -3.079 321 3HB ALA 44 3HB ALA 44 -6.500 -3.152 -2.900 322 H HIS 45 HN HIS 45 -7.188 -0.720 -5.522 323 HA HIS 45 HA HIS 45 -4.868 0.291 -6.983 324 1HB HIS 45 2HB HIS 45 -7.368 -1.149 -7.763 325 2HB HIS 45 3HB HIS 45 -6.690 -0.014 -8.913 326 HD1 HIS 45 HD1 HIS 45 -6.551 -3.475 -8.097 327 HD2 HIS 45 HD2 HIS 45 -3.681 -0.631 -9.225 328 HE1 HIS 45 HE1 HIS 45 -4.546 -4.790 -8.971 329 H LYS 46 HN LYS 46 -7.203 1.452 -5.002 330 HA LYS 46 HA LYS 46 -7.510 3.881 -6.625 331 1HB LYS 46 2HB LYS 46 -9.565 2.193 -5.825 332 2HB LYS 46 3HB LYS 46 -9.593 3.456 -4.611 333 1HG LYS 46 2HG LYS 46 -9.238 4.440 -7.401 334 2HG LYS 46 3HG LYS 46 -10.772 3.648 -7.104 335 1HD LYS 46 2HD LYS 46 -10.825 5.166 -4.925 336 2HD LYS 46 3HD LYS 46 -9.636 6.126 -5.781 337 1HE LYS 46 2HE LYS 46 -11.506 7.167 -6.636 338 2HE LYS 46 3HE LYS 46 -11.454 5.845 -7.785 339 1HZ LYS 46 1HZ LYS 46 -12.814 4.698 -5.878 340 2HZ LYS 46 2HZ LYS 46 -13.235 6.242 -5.549 341 3HZ LYS 46 3HZ LYS 46 -13.540 5.609 -7.023 342 H ASP 47 HN ASP 47 -8.818 5.205 -4.274 343 HA ASP 47 HA ASP 47 -6.817 6.579 -3.275 344 1HB ASP 47 2HB ASP 47 -9.523 6.124 -2.576 345 2HB ASP 47 3HB ASP 47 -8.643 5.878 -1.081 346 H ALA 48 HN ALA 48 -7.922 3.321 -2.207 347 HA ALA 48 HA ALA 48 -6.735 2.920 0.146 348 1HB ALA 48 1HB ALA 48 -6.050 0.618 -1.279 349 2HB ALA 48 2HB ALA 48 -7.605 0.932 -0.471 350 3HB ALA 48 3HB ALA 48 -7.410 1.300 -2.202 351 H CYS 49 HN CYS 49 -5.050 2.832 -3.064 352 HA CYS 49 HA CYS 49 -2.539 2.992 -1.565 353 1HB CYS 49 2HB CYS 49 -3.188 1.766 -4.239 354 2HB CYS 49 3HB CYS 49 -1.548 2.194 -3.796 355 H LYS 50 HN LYS 50 -3.717 3.769 -4.924 356 HA LYS 50 HA LYS 50 -2.058 5.957 -5.260 357 1HB LYS 50 2HB LYS 50 -4.688 5.200 -6.556 358 2HB LYS 50 3HB LYS 50 -3.716 6.558 -7.085 359 1HG LYS 50 2HG LYS 50 -1.926 4.335 -6.820 360 2HG LYS 50 3HG LYS 50 -3.347 3.731 -7.649 361 1HD LYS 50 2HD LYS 50 -2.642 6.346 -8.721 362 2HD LYS 50 3HD LYS 50 -1.229 5.309 -8.742 363 1HE LYS 50 2HE LYS 50 -2.298 4.852 -10.817 364 2HE LYS 50 3HE LYS 50 -2.759 3.499 -9.803 365 1HZ LYS 50 1HZ LYS 50 -4.415 5.350 -11.026 366 2HZ LYS 50 2HZ LYS 50 -4.846 4.075 -10.102 367 3HZ LYS 50 3HZ LYS 50 -4.600 5.535 -9.414 368 H THR 51 HN THR 51 -2.025 7.266 -3.383 369 HA THR 51 HA THR 51 -3.871 9.376 -3.386 370 HB THR 51 HB THR 51 -5.255 7.418 -2.380 371 HG1 THR 51 HG1 THR 51 -6.086 9.411 -1.821 372 1HG2 THR 51 1HG THR 51 -4.891 6.977 0.003 373 2HG2 THR 51 2HG THR 51 -3.381 6.584 -0.855 374 3HG2 THR 51 3HG THR 51 -3.521 8.114 0.045 375 H CYS 52 HN CYS 52 -1.552 7.398 -1.473 376 HA CYS 52 HA CYS 52 -0.548 9.882 -0.329 377 1HB CYS 52 2HB CYS 52 -1.021 8.163 1.281 378 2HB CYS 52 3HB CYS 52 -0.081 6.984 0.388 379 H HIS 53 HN HIS 53 0.308 7.010 -2.330 380 HA HIS 53 HA HIS 53 3.010 7.535 -2.598 381 1HB HIS 53 2HB HIS 53 0.958 5.990 -4.117 382 2HB HIS 53 3HB HIS 53 2.480 6.313 -4.923 383 HD1 HIS 53 HD1 HIS 53 3.342 3.897 -4.841 384 HD2 HIS 53 HD2 HIS 53 2.385 5.458 -1.067 385 HE1 HIS 53 HE1 HIS 53 4.249 2.235 -3.129 386 H LYS 54 HN LYS 54 0.190 9.149 -3.922 387 HA LYS 54 HA LYS 54 1.093 10.186 -6.263 388 1HB LYS 54 2HB LYS 54 -0.538 11.600 -4.133 389 2HB LYS 54 3HB LYS 54 -0.426 12.078 -5.815 390 1HG LYS 54 2HG LYS 54 -1.112 9.454 -6.147 391 2HG LYS 54 3HG LYS 54 -1.863 9.747 -4.591 392 1HD LYS 54 2HD LYS 54 -2.746 11.970 -5.816 393 2HD LYS 54 3HD LYS 54 -2.465 11.020 -7.262 394 1HE LYS 54 2HE LYS 54 -4.430 9.941 -6.917 395 2HE LYS 54 3HE LYS 54 -3.793 9.277 -5.426 396 1HZ LYS 54 1HZ LYS 54 -5.857 10.735 -5.341 397 2HZ LYS 54 2HZ LYS 54 -4.704 10.979 -4.210 398 3HZ LYS 54 3HZ LYS 54 -4.835 12.002 -5.477 399 H SER 55 HN SER 55 2.277 10.786 -3.008 400 HA SER 55 HA SER 55 3.842 13.008 -4.046 401 1HB SER 55 2HB SER 55 2.421 13.297 -1.940 402 2HB SER 55 3HB SER 55 3.492 12.166 -1.137 403 HG SER 55 HG SER 55 5.286 13.675 -1.822 404 H ASN 56 HN ASN 56 4.112 10.090 -1.883 405 HA ASN 56 HA ASN 56 6.949 10.109 -2.241 406 1HB ASN 56 2HB ASN 56 5.432 7.813 -0.967 407 2HB ASN 56 3HB ASN 56 6.995 8.469 -0.524 408 1HD2 ASN 56 1HD ASN 56 3.534 8.867 -0.370 409 2HD2 ASN 56 2HD ASN 56 3.472 10.033 0.910 410 H ASN 57 HN ASN 57 8.089 8.685 -3.631 411 HA ASN 57 HA ASN 57 8.474 7.019 -4.998 412 1HB ASN 57 2HB ASN 57 6.247 5.981 -3.612 413 2HB ASN 57 3HB ASN 57 5.762 5.864 -5.292 414 1HD2 ASN 57 1HD ASN 57 6.687 3.938 -3.121 415 2HD2 ASN 57 2HD ASN 57 7.883 2.941 -3.879 416 H GLY 58 HN GLY 58 7.423 6.122 -7.292 417 1HA GLY 58 1HA GLY 58 6.155 8.476 -8.561 418 2HA GLY 58 2HA GLY 58 7.338 7.438 -9.330 419 HA PRO 59 HA PRO 59 3.199 5.102 -9.028 420 1HB PRO 59 2HB PRO 59 0.941 6.558 -8.530 421 2HB PRO 59 3HB PRO 59 1.800 5.667 -7.290 422 1HG PRO 59 2HG PRO 59 1.748 8.582 -7.778 423 2HG PRO 59 3HG PRO 59 2.234 7.720 -6.333 424 1HD PRO 59 2HD PRO 59 3.967 8.930 -8.272 425 2HD PRO 59 3HD PRO 59 4.451 7.970 -6.888 426 H THR 60 HN THR 60 0.692 5.631 -10.172 427 HA THR 60 HA THR 60 -0.272 6.304 -12.093 428 HB THR 60 HB THR 60 2.324 7.544 -13.070 429 HG1 THR 60 HG1 THR 60 2.078 9.076 -11.453 430 1HG2 THR 60 1HG THR 60 0.107 7.632 -14.400 431 2HG2 THR 60 2HG THR 60 -0.538 8.614 -13.063 432 3HG2 THR 60 3HG THR 60 0.841 9.209 -14.019 433 H LYS 61 HN LYS 61 3.162 5.230 -12.478 434 HA LYS 61 HA LYS 61 2.227 3.501 -14.645 435 1HB LYS 61 2HB LYS 61 5.111 4.013 -13.934 436 2HB LYS 61 3HB LYS 61 4.431 3.475 -15.457 437 1HG LYS 61 2HG LYS 61 3.141 5.799 -15.385 438 2HG LYS 61 3HG LYS 61 4.390 6.250 -14.242 439 1HD LYS 61 2HD LYS 61 5.872 6.579 -15.925 440 2HD LYS 61 3HD LYS 61 5.662 4.930 -16.478 441 1HE LYS 61 2HE LYS 61 3.784 7.232 -17.197 442 2HE LYS 61 3HE LYS 61 5.088 6.669 -18.224 443 1HZ LYS 61 1HZ LYS 61 3.001 5.652 -18.800 444 2HZ LYS 61 2HZ LYS 61 4.045 4.510 -18.277 445 3HZ LYS 61 3HZ LYS 61 2.837 5.020 -17.304 446 H CYS 62 HN CYS 62 3.589 1.316 -14.688 447 HA CYS 62 HA CYS 62 2.813 -0.036 -12.326 448 1HB CYS 62 2HB CYS 62 4.041 -0.788 -14.936 449 2HB CYS 62 3HB CYS 62 4.237 -1.901 -13.596 450 H GLY 63 HN GLY 63 4.314 1.736 -11.135 451 1HA GLY 63 1HA GLY 63 6.797 0.323 -10.478 452 2HA GLY 63 2HA GLY 63 6.910 1.990 -11.009 453 H GLY 64 HN GLY 64 4.465 3.017 -9.853 454 1HA GLY 64 1HA GLY 64 5.107 4.064 -7.526 455 2HA GLY 64 2HA GLY 64 3.472 3.526 -7.854 456 H CYS 65 HN CYS 65 4.000 0.654 -7.943 457 HA CYS 65 HA CYS 65 5.069 0.120 -5.293 458 1HB CYS 65 2HB CYS 65 2.989 -1.477 -5.066 459 2HB CYS 65 3HB CYS 65 2.945 0.188 -4.520 460 H HIS 66 HN HIS 66 3.268 -1.412 -8.073 461 HA HIS 66 HA HIS 66 4.436 -3.875 -7.914 462 1HB HIS 66 2HB HIS 66 3.234 -2.284 -10.163 463 2HB HIS 66 3HB HIS 66 3.974 -3.837 -10.500 464 HD1 HIS 66 HD1 HIS 66 3.035 -5.686 -8.373 465 HD2 HIS 66 HD2 HIS 66 0.556 -2.674 -9.915 466 HE1 HIS 66 HE1 HIS 66 0.639 -6.412 -7.882 467 H ILE 67 HN ILE 67 6.206 -4.908 -9.037 468 HA ILE 67 HA ILE 67 8.240 -2.989 -9.939 469 HB ILE 67 HB ILE 67 8.642 -5.500 -8.308 470 1HG1 ILE 67 2HG ILE 67 9.669 -3.091 -7.113 471 2HG1 ILE 67 3HG ILE 67 7.976 -2.859 -7.505 472 1HG2 ILE 67 1HG ILE 67 10.406 -4.956 -10.054 473 2HG2 ILE 67 2HG ILE 67 10.749 -3.489 -9.107 474 3HG2 ILE 67 3HG ILE 67 10.963 -5.094 -8.369 475 1HD1 ILE 67 1HD ILE 67 9.240 -4.837 -5.623 476 2HD1 ILE 67 2HD ILE 67 7.757 -3.873 -5.426 477 3HD1 ILE 67 3HD ILE 67 7.745 -5.322 -6.460 478 H LYS 68 HN LYS 68 7.213 -3.354 -12.083 479 HA LYS 68 HA LYS 68 7.511 -6.023 -13.151 480 1HB LYS 68 2HB LYS 68 5.944 -3.673 -13.746 481 2HB LYS 68 3HB LYS 68 6.807 -4.182 -15.183 482 1HG LYS 68 2HG LYS 68 5.909 -6.605 -14.080 483 2HG LYS 68 3HG LYS 68 4.580 -5.507 -13.771 484 1HD LYS 68 2HD LYS 68 5.426 -4.946 -16.433 485 2HD LYS 68 3HD LYS 68 5.428 -6.693 -16.299 486 1HE LYS 68 2HE LYS 68 3.084 -6.627 -15.415 487 2HE LYS 68 3HE LYS 68 3.083 -4.880 -15.552 488 1HZ LYS 68 1HZ LYS 68 3.063 -6.868 -17.667 489 2HZ LYS 68 2HZ LYS 68 2.178 -5.505 -17.520 490 3HZ LYS 68 3HZ LYS 68 3.743 -5.416 -17.977 491 HHA HEC 98 HGM HEC 98 -3.557 -5.789 8.315 492 HHB HEC 98 HDM HEC 98 -0.942 -3.093 13.301 493 HHC HEC 98 HAM HEC 98 1.574 1.286 9.479 494 HHD HEC 98 HBM HEC 98 -1.487 -1.274 4.694 495 1HMA HEC 98 1HM HEC 98 -0.957 -5.875 13.574 496 2HMA HEC 98 2HM HEC 98 -2.449 -5.006 14.004 497 3HMA HEC 98 3HM HEC 98 -2.541 -6.657 13.348 498 1HAA HEC 98 1HA HEC 98 -3.363 -7.558 11.591 499 2HAA HEC 98 2HA HEC 98 -4.220 -6.921 10.167 500 1HBA HEC 98 3HB HEC 98 -3.057 -8.539 8.990 501 2HBA HEC 98 4HB HEC 98 -1.675 -7.427 9.129 502 1HMB HEC 98 1HM HEC 98 -0.683 -0.347 14.542 503 2HMB HEC 98 2HM HEC 98 0.221 -1.878 14.591 504 3HMB HEC 98 3HM HEC 98 1.091 -0.329 14.665 505 HAB HEC 98 HT2 HEC 98 2.108 1.804 11.350 506 1HBB HEC 98 1HT HEC 98 3.321 0.371 13.649 507 2HBB HEC 98 2HT HEC 98 3.741 0.112 11.939 508 3HBB HEC 98 3HT HEC 98 3.967 1.715 12.676 509 1HMC HEC 98 1HM HEC 98 1.788 2.743 8.164 510 2HMC HEC 98 2HM HEC 98 2.690 2.132 6.757 511 3HMC HEC 98 3HM HEC 98 1.285 3.196 6.518 512 HAC HEC 98 HT4 HEC 98 0.524 1.144 3.931 513 1HBC HEC 98 1HT HEC 98 -1.178 3.265 4.126 514 2HBC HEC 98 2HT HEC 98 -0.566 3.195 5.795 515 3HBC HEC 98 3HT HEC 98 0.571 3.369 4.439 516 1HMD HEC 98 1HM HEC 98 -3.331 -4.049 3.220 517 2HMD HEC 98 2HM HEC 98 -3.851 -2.383 3.566 518 3HMD HEC 98 3HM HEC 98 -2.145 -2.723 3.190 519 1HAD HEC 98 1HA HEC 98 -4.118 -6.315 6.181 520 2HAD HEC 98 2HA HEC 98 -4.570 -5.414 4.716 521 1HBD HEC 98 3HB HEC 98 -2.907 -7.596 4.831 522 2HBD HEC 98 4HB HEC 98 -3.019 -6.433 3.489 523 HHA HEC 128 HGM HEC 128 8.259 3.104 -0.868 524 HHB HEC 128 HDM HEC 128 3.868 -0.880 -2.821 525 HHC HEC 128 HAM HEC 128 -0.393 2.296 0.624 526 HHD HEC 128 HBM HEC 128 4.026 6.435 2.092 527 1HMA HEC 128 1HM HEC 128 7.549 -1.285 -3.651 528 2HMA HEC 128 2HM HEC 128 6.741 -2.183 -2.345 529 3HMA HEC 128 3HM HEC 128 5.789 -1.547 -3.707 530 1HAA HEC 128 1HA HEC 128 9.145 0.998 -2.911 531 2HAA HEC 128 2HA HEC 128 9.317 1.437 -1.195 532 1HBA HEC 128 3HB HEC 128 10.004 -0.689 -0.672 533 2HBA HEC 128 4HB HEC 128 8.546 -1.382 -1.420 534 1HMB HEC 128 1HM HEC 128 1.124 -0.817 -4.020 535 2HMB HEC 128 2HM HEC 128 2.054 -1.989 -3.058 536 3HMB HEC 128 3HM HEC 128 0.294 -1.853 -2.835 537 HAB HEC 128 HT2 HEC 128 -1.496 1.007 -0.796 538 1HBB HEC 128 1HT HEC 128 -0.420 -1.044 0.826 539 2HBB HEC 128 2HT HEC 128 -1.845 0.003 1.028 540 3HBB HEC 128 3HT HEC 128 -1.982 -1.520 0.117 541 1HMC HEC 128 1HM HEC 128 -1.334 3.349 2.123 542 2HMC HEC 128 2HM HEC 128 -1.167 4.895 2.989 543 3HMC HEC 128 3HM HEC 128 -1.604 4.884 1.265 544 HAC HEC 128 HT4 HEC 128 2.094 7.212 2.896 545 1HBC HEC 128 1HT HEC 128 0.313 7.755 4.249 546 2HBC HEC 128 2HT HEC 128 -0.897 7.153 3.090 547 3HBC HEC 128 3HT HEC 128 0.016 6.007 4.100 548 1HMD HEC 128 1HM HEC 128 5.522 7.779 2.137 549 2HMD HEC 128 2HM HEC 128 6.930 7.106 2.992 550 3HMD HEC 128 3HM HEC 128 7.149 7.936 1.432 551 1HAD HEC 128 1HA HEC 128 9.005 5.694 1.953 552 2HAD HEC 128 2HA HEC 128 9.350 4.490 0.689 553 1HBD HEC 128 3HB HEC 128 8.819 7.440 0.302 554 2HBD HEC 128 4HB HEC 128 10.365 6.581 0.098 555 HHA HEC 158 HGM HEC 158 -3.363 -7.404 -7.177 556 HHB HEC 158 HDM HEC 158 -1.681 -6.181 -13.063 557 HHC HEC 158 HAM HEC 158 -0.382 -0.227 -11.342 558 HHD HEC 158 HBM HEC 158 -1.659 -1.759 -5.440 559 1HMA HEC 158 1HM HEC 158 -3.191 -9.497 -11.982 560 2HMA HEC 158 2HM HEC 158 -4.119 -8.200 -12.772 561 3HMA HEC 158 3HM HEC 158 -2.358 -8.301 -13.002 562 1HAA HEC 158 1HA HEC 158 -4.341 -8.748 -8.158 563 2HAA HEC 158 2HA HEC 158 -5.044 -9.158 -9.740 564 1HBA HEC 158 3HB HEC 158 -2.448 -10.026 -10.115 565 2HBA HEC 158 4HB HEC 158 -2.632 -10.315 -8.369 566 1HMB HEC 158 1HM HEC 158 -0.331 -5.528 -14.480 567 2HMB HEC 158 2HM HEC 158 -1.120 -4.248 -15.431 568 3HMB HEC 158 3HM HEC 158 0.608 -4.119 -15.026 569 HAB HEC 158 HT2 HEC 158 0.948 -0.978 -13.617 570 1HBB HEC 158 1HT HEC 158 -1.681 -0.077 -13.072 571 2HBB HEC 158 2HT HEC 158 -0.123 0.781 -13.147 572 3HBB HEC 158 3HT HEC 158 -1.078 0.538 -14.628 573 1HMC HEC 158 1HM HEC 158 0.383 1.351 -10.447 574 2HMC HEC 158 2HM HEC 158 -0.884 2.214 -9.544 575 3HMC HEC 158 3HM HEC 158 0.721 1.978 -8.816 576 HAC HEC 158 HT4 HEC 158 -0.871 0.337 -5.430 577 1HBC HEC 158 1HT HEC 158 -0.427 2.643 -5.397 578 2HBC HEC 158 2HT HEC 158 0.465 2.597 -6.938 579 3HBC HEC 158 3HT HEC 158 -1.308 2.433 -6.930 580 1HMD HEC 158 1HM HEC 158 -3.017 -4.105 -2.958 581 2HMD HEC 158 2HM HEC 158 -1.414 -3.404 -3.286 582 3HMD HEC 158 3HM HEC 158 -2.884 -2.463 -3.634 583 1HAD HEC 158 1HA HEC 158 -4.212 -5.636 -3.679 584 2HAD HEC 158 2HA HEC 158 -4.581 -6.708 -5.052 585 1HBD HEC 158 3HB HEC 158 -2.453 -7.863 -4.722 586 2HBD HEC 158 4HB HEC 158 -2.085 -6.791 -3.349 Start of MODEL 31 1 H ALA 1 HN ALA 1 1.260 -5.188 7.480 2 HA ALA 1 HA ALA 1 -0.068 -7.637 7.474 3 1HB ALA 1 1HB ALA 1 1.163 -7.323 4.779 4 2HB ALA 1 2HB ALA 1 -0.265 -8.259 5.283 5 3HB ALA 1 3HB ALA 1 -0.396 -6.502 5.029 6 H ASP 2 HN ASP 2 2.134 -6.140 8.731 7 HA ASP 2 HA ASP 2 4.279 -6.259 9.182 8 1HB ASP 2 2HB ASP 2 3.369 -9.149 9.027 9 2HB ASP 2 3HB ASP 2 5.031 -8.788 9.452 10 H VAL 3 HN VAL 3 4.193 -5.602 6.531 11 HA VAL 3 HA VAL 3 5.246 -5.675 4.589 12 HB VAL 3 HB VAL 3 7.189 -6.728 6.553 13 1HG1 VAL 3 1HG VAL 3 7.428 -7.239 3.598 14 2HG1 VAL 3 2HG VAL 3 8.883 -6.881 4.560 15 3HG1 VAL 3 3HG VAL 3 7.866 -8.283 4.971 16 1HG2 VAL 3 1HG VAL 3 8.534 -4.851 5.707 17 2HG2 VAL 3 2HG VAL 3 7.315 -4.542 4.446 18 3HG2 VAL 3 3HG VAL 3 6.895 -4.325 6.163 19 H VAL 4 HN VAL 4 4.031 -6.807 3.132 20 HA VAL 4 HA VAL 4 4.383 -9.725 3.160 21 HB VAL 4 HB VAL 4 2.041 -7.943 2.715 22 1HG1 VAL 4 1HG VAL 4 2.296 -9.043 0.529 23 2HG1 VAL 4 2HG VAL 4 2.338 -10.631 1.331 24 3HG1 VAL 4 3HG VAL 4 0.861 -9.640 1.397 25 1HG2 VAL 4 1HG VAL 4 1.057 -9.231 4.293 26 2HG2 VAL 4 2HG VAL 4 1.739 -10.741 3.640 27 3HG2 VAL 4 3HG VAL 4 2.733 -9.691 4.679 28 H THR 5 HN THR 5 4.598 -10.786 1.081 29 HA THR 5 HA THR 5 5.384 -8.938 -1.073 30 HB THR 5 HB THR 5 6.804 -11.374 0.090 31 HG1 THR 5 HG1 THR 5 7.168 -9.051 0.744 32 1HG2 THR 5 1HG THR 5 6.591 -10.788 -2.699 33 2HG2 THR 5 2HG THR 5 8.158 -10.126 -2.174 34 3HG2 THR 5 3HG THR 5 7.788 -11.847 -1.916 35 H TYR 6 HN TYR 6 3.601 -9.054 -2.360 36 HA TYR 6 HA TYR 6 2.392 -11.635 -2.842 37 1HB TYR 6 2HB TYR 6 1.994 -8.687 -3.506 38 2HB TYR 6 3HB TYR 6 1.171 -9.857 -4.518 39 HD1 TYR 6 HD1 TYR 6 1.594 -10.985 -1.131 40 HD2 TYR 6 HD2 TYR 6 -0.902 -8.610 -3.668 41 HE1 TYR 6 HE1 TYR 6 -0.290 -11.134 0.569 42 HE2 TYR 6 HE2 TYR 6 -2.778 -8.768 -1.959 43 HH TYR 6 HH TYR 6 -3.379 -9.471 -0.011 44 H GLU 7 HN GLU 7 2.814 -12.961 -4.545 45 HA GLU 7 HA GLU 7 4.460 -11.802 -6.656 46 1HB GLU 7 2HB GLU 7 4.310 -14.740 -5.866 47 2HB GLU 7 3HB GLU 7 5.445 -14.010 -6.982 48 1HG GLU 7 2HG GLU 7 5.603 -12.552 -4.498 49 2HG GLU 7 3HG GLU 7 5.666 -14.260 -4.115 50 H ASN 8 HN ASN 8 2.925 -11.183 -8.184 51 HA ASN 8 HA ASN 8 0.938 -13.189 -8.860 52 1HB ASN 8 2HB ASN 8 0.031 -11.131 -10.258 53 2HB ASN 8 3HB ASN 8 -0.204 -11.146 -8.521 54 1HD2 ASN 8 1HD ASN 8 1.154 -9.917 -7.173 55 2HD2 ASN 8 2HD ASN 8 2.018 -8.531 -7.754 56 H LYS 9 HN LYS 9 0.532 -13.536 -11.260 57 HA LYS 9 HA LYS 9 2.792 -14.153 -12.660 58 1HB LYS 9 2HB LYS 9 -0.090 -13.867 -13.259 59 2HB LYS 9 3HB LYS 9 0.966 -13.748 -14.652 60 1HG LYS 9 2HG LYS 9 2.138 -15.891 -13.662 61 2HG LYS 9 3HG LYS 9 0.682 -16.057 -12.700 62 1HD LYS 9 2HD LYS 9 -0.110 -17.212 -14.512 63 2HD LYS 9 3HD LYS 9 -0.434 -15.619 -15.166 64 1HE LYS 9 2HE LYS 9 1.603 -15.612 -16.456 65 2HE LYS 9 3HE LYS 9 2.263 -16.974 -15.572 66 1HZ LYS 9 1HZ LYS 9 -0.256 -17.443 -16.880 67 2HZ LYS 9 2HZ LYS 9 1.018 -17.211 -17.873 68 3HZ LYS 9 3HZ LYS 9 1.056 -18.410 -16.765 69 H LYS 10 HN LYS 10 0.727 -11.187 -13.029 70 HA LYS 10 HA LYS 10 2.144 -9.955 -14.997 71 1HB LYS 10 2HB LYS 10 0.722 -8.758 -12.604 72 2HB LYS 10 3HB LYS 10 1.292 -7.822 -13.970 73 1HG LYS 10 2HG LYS 10 -0.302 -10.221 -14.724 74 2HG LYS 10 3HG LYS 10 -1.198 -9.028 -13.804 75 1HD LYS 10 2HD LYS 10 -1.373 -7.703 -15.632 76 2HD LYS 10 3HD LYS 10 0.372 -7.609 -15.760 77 1HE LYS 10 2HE LYS 10 -0.838 -10.177 -16.703 78 2HE LYS 10 3HE LYS 10 -1.241 -8.765 -17.659 79 1HZ LYS 10 1HZ LYS 10 1.382 -9.917 -17.148 80 2HZ LYS 10 2HZ LYS 10 0.718 -9.454 -18.566 81 3HZ LYS 10 3HZ LYS 10 1.268 -8.330 -17.517 82 H GLY 11 HN GLY 11 2.626 -9.331 -11.444 83 1HA GLY 11 1HA GLY 11 5.476 -9.470 -11.706 84 2HA GLY 11 2HA GLY 11 4.900 -7.817 -11.613 85 H ASN 12 HN ASN 12 5.414 -7.162 -9.544 86 HA ASN 12 HA ASN 12 4.150 -8.700 -7.436 87 1HB ASN 12 2HB ASN 12 7.066 -8.076 -7.752 88 2HB ASN 12 3HB ASN 12 6.416 -7.775 -6.153 89 1HD2 ASN 12 1HD ASN 12 6.813 -9.383 -4.854 90 2HD2 ASN 12 2HD ASN 12 6.701 -11.076 -5.205 91 H VAL 13 HN VAL 13 3.278 -7.326 -5.781 92 HA VAL 13 HA VAL 13 3.634 -4.455 -6.285 93 HB VAL 13 HB VAL 13 1.396 -5.135 -6.703 94 1HG1 VAL 13 1HG VAL 13 0.017 -6.268 -4.934 95 2HG1 VAL 13 2HG VAL 13 1.309 -7.280 -5.622 96 3HG1 VAL 13 3HG VAL 13 1.516 -6.541 -4.017 97 1HG2 VAL 13 1HG VAL 13 0.697 -4.140 -4.066 98 2HG2 VAL 13 2HG VAL 13 2.086 -3.254 -4.739 99 3HG2 VAL 13 3HG VAL 13 0.563 -3.348 -5.655 100 H THR 14 HN THR 14 4.259 -7.096 -4.138 101 HA THR 14 HA THR 14 4.905 -7.221 -1.996 102 HB THR 14 HB THR 14 6.308 -4.574 -2.577 103 HG1 THR 14 HG1 THR 14 7.336 -5.696 -4.199 104 1HG2 THR 14 1HG THR 14 6.675 -6.860 -0.732 105 2HG2 THR 14 2HG THR 14 8.120 -6.539 -1.721 106 3HG2 THR 14 3HG THR 14 7.438 -5.252 -0.696 107 H PHE 15 HN PHE 15 5.405 -5.592 0.100 108 HA PHE 15 HA PHE 15 3.416 -3.581 0.367 109 1HB PHE 15 2HB PHE 15 3.076 -6.426 1.407 110 2HB PHE 15 3HB PHE 15 2.448 -5.112 2.382 111 HD1 PHE 15 HD1 PHE 15 2.009 -7.064 -0.652 112 HD2 PHE 15 HD2 PHE 15 0.601 -3.716 1.542 113 HE1 PHE 15 HE1 PHE 15 -0.085 -7.038 -2.034 114 HE2 PHE 15 HE2 PHE 15 -1.493 -3.690 0.160 115 HZ PHE 15 HZ PHE 15 -1.812 -5.352 -1.611 116 H ASP 16 HN ASP 16 3.752 -2.311 2.242 117 HA ASP 16 HA ASP 16 5.914 -3.277 3.940 118 1HB ASP 16 2HB ASP 16 5.477 -0.393 3.035 119 2HB ASP 16 3HB ASP 16 6.781 -0.961 4.059 120 H HIS 17 HN HIS 17 5.125 -3.414 6.045 121 HA HIS 17 HA HIS 17 3.083 -1.454 6.807 122 1HB HIS 17 2HB HIS 17 2.095 -3.677 6.488 123 2HB HIS 17 3HB HIS 17 3.252 -4.374 7.604 124 HD1 HIS 17 HD1 HIS 17 3.151 -2.564 10.014 125 HD2 HIS 17 HD2 HIS 17 -0.276 -3.592 7.825 126 HE1 HIS 17 HE1 HIS 17 1.171 -2.230 11.589 127 H LYS 18 HN LYS 18 5.299 -3.921 8.312 128 HA LYS 18 HA LYS 18 5.646 -2.386 10.642 129 1HB LYS 18 2HB LYS 18 6.038 -4.962 10.035 130 2HB LYS 18 3HB LYS 18 7.685 -4.405 9.817 131 1HG LYS 18 2HG LYS 18 7.839 -3.608 12.079 132 2HG LYS 18 3HG LYS 18 6.103 -3.669 12.309 133 1HD LYS 18 2HD LYS 18 6.194 -5.834 12.982 134 2HD LYS 18 3HD LYS 18 7.068 -6.306 11.538 135 1HE LYS 18 2HE LYS 18 9.214 -5.624 12.559 136 2HE LYS 18 3HE LYS 18 8.381 -4.999 13.968 137 1HZ LYS 18 1HZ LYS 18 7.566 -7.242 14.378 138 2HZ LYS 18 2HZ LYS 18 8.413 -7.806 13.101 139 3HZ LYS 18 3HZ LYS 18 9.199 -7.183 14.391 140 H ALA 19 HN ALA 19 7.441 -2.663 7.545 141 HA ALA 19 HA ALA 19 9.618 -1.072 8.433 142 1HB ALA 19 1HB ALA 19 9.289 -1.009 5.578 143 2HB ALA 19 2HB ALA 19 10.465 -1.935 6.542 144 3HB ALA 19 3HB ALA 19 8.877 -2.640 6.159 145 H HIS 20 HN HIS 20 6.511 -0.478 6.715 146 HA HIS 20 HA HIS 20 7.098 2.213 6.133 147 1HB HIS 20 2HB HIS 20 4.749 0.406 5.992 148 2HB HIS 20 3HB HIS 20 4.385 2.115 6.114 149 HD1 HIS 20 HD1 HIS 20 7.517 1.217 4.279 150 HD2 HIS 20 HD2 HIS 20 3.496 2.018 3.389 151 HE1 HIS 20 HE1 HIS 20 7.403 1.589 1.757 152 H ALA 21 HN ALA 21 5.087 0.622 8.706 153 HA ALA 21 HA ALA 21 4.181 2.782 10.032 154 1HB ALA 21 1HB ALA 21 4.593 1.259 12.126 155 2HB ALA 21 2HB ALA 21 3.509 0.687 10.835 156 3HB ALA 21 3HB ALA 21 5.179 0.077 10.929 157 H GLU 22 HN GLU 22 7.515 1.439 10.074 158 HA GLU 22 HA GLU 22 8.504 2.868 12.170 159 1HB GLU 22 2HB GLU 22 9.981 2.233 9.579 160 2HB GLU 22 3HB GLU 22 10.714 2.525 11.143 161 1HG GLU 22 2HG GLU 22 8.740 0.473 11.522 162 2HG GLU 22 3HG GLU 22 9.643 0.047 10.082 163 H LYS 23 HN LYS 23 8.229 3.831 8.690 164 HA LYS 23 HA LYS 23 9.254 6.459 9.311 165 1HB LYS 23 2HB LYS 23 8.716 4.856 6.880 166 2HB LYS 23 3HB LYS 23 8.426 6.577 6.715 167 1HG LYS 23 2HG LYS 23 10.986 5.548 7.995 168 2HG LYS 23 3HG LYS 23 10.840 5.663 6.253 169 1HD LYS 23 2HD LYS 23 9.982 8.093 7.771 170 2HD LYS 23 3HD LYS 23 11.693 7.722 7.855 171 1HE LYS 23 2HE LYS 23 11.990 7.921 5.502 172 2HE LYS 23 3HE LYS 23 10.285 7.694 5.168 173 1HZ LYS 23 1HZ LYS 23 10.038 9.862 5.268 174 2HZ LYS 23 2HZ LYS 23 10.567 9.914 6.811 175 3HZ LYS 23 3HZ LYS 23 11.627 10.074 5.578 176 H LEU 24 HN LEU 24 6.171 4.984 8.090 177 HA LEU 24 HA LEU 24 4.749 7.398 8.155 178 1HB LEU 24 2HB LEU 24 3.890 4.506 8.194 179 2HB LEU 24 3HB LEU 24 2.757 5.842 8.121 180 HG LEU 24 HG LEU 24 3.997 6.598 6.014 181 1HD1 LEU 24 1HD LEU 24 6.032 5.452 6.060 182 2HD1 LEU 24 2HD LEU 24 5.259 3.893 6.433 183 3HD1 LEU 24 3HD LEU 24 5.088 4.605 4.810 184 1HD2 LEU 24 1HD LEU 24 2.902 4.550 4.710 185 2HD2 LEU 24 2HD LEU 24 2.188 4.249 6.313 186 3HD2 LEU 24 3HD LEU 24 1.926 5.811 5.501 187 H GLY 25 HN GLY 25 2.857 5.236 9.938 188 1HA GLY 25 1HA GLY 25 3.578 5.302 12.528 189 2HA GLY 25 2HA GLY 25 3.014 6.942 12.273 190 H CYS 26 HN CYS 26 1.774 4.019 10.575 191 HA CYS 26 HA CYS 26 -0.179 3.018 10.588 192 1HB CYS 26 2HB CYS 26 -1.228 4.160 13.101 193 2HB CYS 26 3HB CYS 26 -1.192 2.501 12.537 194 H ASP 27 HN ASP 27 -0.798 6.160 12.338 195 HA ASP 27 HA ASP 27 -3.165 6.795 11.393 196 1HB ASP 27 2HB ASP 27 -2.599 9.125 11.704 197 2HB ASP 27 3HB ASP 27 -1.667 8.208 12.870 198 H ALA 28 HN ALA 28 -0.108 6.690 9.579 199 HA ALA 28 HA ALA 28 -0.832 8.266 7.389 200 1HB ALA 28 1HB ALA 28 1.119 7.391 6.391 201 2HB ALA 28 2HB ALA 28 1.461 7.302 8.136 202 3HB ALA 28 3HB ALA 28 0.971 5.838 7.250 203 H CYS 29 HN CYS 29 -1.257 4.755 8.123 204 HA CYS 29 HA CYS 29 -2.746 4.495 5.636 205 1HB CYS 29 2HB CYS 29 -1.769 2.409 7.597 206 2HB CYS 29 3HB CYS 29 -2.698 2.063 6.152 207 H HIS 30 HN HIS 30 -2.977 3.802 9.201 208 HA HIS 30 HA HIS 30 -5.870 3.669 8.901 209 1HB HIS 30 2HB HIS 30 -4.346 3.096 11.434 210 2HB HIS 30 3HB HIS 30 -5.928 2.520 10.948 211 HD1 HIS 30 HD1 HIS 30 -6.045 0.341 9.622 212 HD2 HIS 30 HD2 HIS 30 -2.133 1.784 10.083 213 HE1 HIS 30 HE1 HIS 30 -4.497 -1.514 8.803 214 H GLU 31 HN GLU 31 -6.701 4.484 11.445 215 HA GLU 31 HA GLU 31 -5.571 6.779 12.397 216 1HB GLU 31 2HB GLU 31 -5.965 7.866 10.264 217 2HB GLU 31 3HB GLU 31 -7.622 7.297 10.207 218 1HG GLU 31 2HG GLU 31 -7.966 8.614 12.433 219 2HG GLU 31 3HG GLU 31 -6.429 9.380 12.081 220 H GLY 32 HN GLY 32 -6.302 6.310 14.440 221 1HA GLY 32 1HA GLY 32 -8.123 6.779 15.941 222 2HA GLY 32 2HA GLY 32 -9.229 6.078 14.776 223 H THR 33 HN THR 33 -8.459 3.680 14.053 224 HA THR 33 HA THR 33 -7.153 2.170 16.086 225 HB THR 33 HB THR 33 -10.194 2.291 15.949 226 HG1 THR 33 HG1 THR 33 -8.030 2.202 17.931 227 1HG2 THR 33 1HG THR 33 -10.311 0.028 16.263 228 2HG2 THR 33 2HG THR 33 -8.537 -0.111 16.270 229 3HG2 THR 33 3HG THR 33 -9.405 0.269 17.777 230 HA PRO 34 HA PRO 34 -6.762 0.046 12.307 231 1HB PRO 34 2HB PRO 34 -4.599 -1.467 13.017 232 2HB PRO 34 3HB PRO 34 -4.463 0.152 12.361 233 1HG PRO 34 2HG PRO 34 -4.110 -0.752 15.153 234 2HG PRO 34 3HG PRO 34 -3.574 0.740 14.408 235 1HD PRO 34 2HD PRO 34 -5.824 0.406 16.155 236 2HD PRO 34 3HD PRO 34 -5.357 1.871 15.316 237 H ALA 35 HN ALA 35 -7.553 -1.813 11.409 238 HA ALA 35 HA ALA 35 -7.951 -4.011 13.269 239 1HB ALA 35 1HB ALA 35 -10.110 -2.306 12.064 240 2HB ALA 35 2HB ALA 35 -10.394 -4.058 12.203 241 3HB ALA 35 3HB ALA 35 -10.039 -3.094 13.657 242 H LYS 36 HN LYS 36 -8.467 -2.669 9.940 243 HA LYS 36 HA LYS 36 -6.896 -4.585 8.707 244 1HB LYS 36 2HB LYS 36 -8.292 -6.254 7.937 245 2HB LYS 36 3HB LYS 36 -8.882 -6.023 9.569 246 1HG LYS 36 2HG LYS 36 -10.942 -5.660 8.691 247 2HG LYS 36 3HG LYS 36 -10.338 -4.141 8.058 248 1HD LYS 36 2HD LYS 36 -11.222 -5.296 6.159 249 2HD LYS 36 3HD LYS 36 -9.483 -5.457 6.019 250 1HE LYS 36 2HE LYS 36 -9.954 -7.688 5.758 251 2HE LYS 36 3HE LYS 36 -10.026 -7.690 7.508 252 1HZ LYS 36 1HZ LYS 36 -12.254 -7.537 5.622 253 2HZ LYS 36 2HZ LYS 36 -12.010 -8.618 6.822 254 3HZ LYS 36 3HZ LYS 36 -12.441 -7.084 7.180 255 H ILE 37 HN ILE 37 -6.750 -4.198 6.423 256 HA ILE 37 HA ILE 37 -8.220 -1.782 5.627 257 HB ILE 37 HB ILE 37 -5.398 -2.680 5.177 258 1HG1 ILE 37 2HG ILE 37 -6.539 0.036 5.887 259 2HG1 ILE 37 3HG ILE 37 -6.069 -1.161 7.078 260 1HG2 ILE 37 1HG ILE 37 -7.024 -0.866 3.390 261 2HG2 ILE 37 2HG ILE 37 -5.249 -0.785 3.489 262 3HG2 ILE 37 3HG ILE 37 -6.043 -2.282 2.943 263 1HD1 ILE 37 1HD ILE 37 -3.851 -0.727 6.805 264 2HD1 ILE 37 2HD ILE 37 -3.986 -0.739 5.030 265 3HD1 ILE 37 3HD ILE 37 -4.379 0.739 5.941 266 H ALA 38 HN ALA 38 -7.783 -5.149 5.149 267 HA ALA 38 HA ALA 38 -8.350 -6.565 3.534 268 1HB ALA 38 1HB ALA 38 -10.504 -4.968 2.370 269 2HB ALA 38 2HB ALA 38 -10.591 -6.469 3.322 270 3HB ALA 38 3HB ALA 38 -10.514 -4.894 4.149 271 H ILE 39 HN ILE 39 -6.651 -6.670 2.082 272 HA ILE 39 HA ILE 39 -6.664 -4.664 -0.055 273 HB ILE 39 HB ILE 39 -4.506 -6.414 1.100 274 1HG1 ILE 39 2HG ILE 39 -5.094 -4.241 2.215 275 2HG1 ILE 39 3HG ILE 39 -3.429 -4.381 1.686 276 1HG2 ILE 39 1HG ILE 39 -3.605 -4.633 -1.007 277 2HG2 ILE 39 2HG ILE 39 -3.299 -6.370 -0.765 278 3HG2 ILE 39 3HG ILE 39 -4.769 -5.835 -1.615 279 1HD1 ILE 39 1HD ILE 39 -3.644 -2.729 0.107 280 2HD1 ILE 39 2HD ILE 39 -5.292 -3.231 -0.340 281 3HD1 ILE 39 3HD ILE 39 -5.027 -2.236 1.113 282 H ASP 40 HN ASP 40 -7.285 -5.241 -2.075 283 HA ASP 40 HA ASP 40 -6.761 -7.729 -3.155 284 1HB ASP 40 2HB ASP 40 -8.753 -8.118 -1.418 285 2HB ASP 40 3HB ASP 40 -9.736 -7.414 -2.686 286 H LYS 41 HN LYS 41 -7.799 -7.878 -5.405 287 HA LYS 41 HA LYS 41 -7.625 -5.637 -6.851 288 1HB LYS 41 2HB LYS 41 -8.386 -8.265 -7.308 289 2HB LYS 41 3HB LYS 41 -9.791 -7.354 -7.826 290 1HG LYS 41 2HG LYS 41 -8.608 -6.200 -9.499 291 2HG LYS 41 3HG LYS 41 -7.069 -6.367 -8.680 292 1HD LYS 41 2HD LYS 41 -7.031 -7.847 -10.602 293 2HD LYS 41 3HD LYS 41 -7.125 -8.851 -9.169 294 1HE LYS 41 2HE LYS 41 -9.531 -9.190 -9.477 295 2HE LYS 41 3HE LYS 41 -9.584 -8.010 -10.771 296 1HZ LYS 41 1HZ LYS 41 -8.377 -10.664 -10.799 297 2HZ LYS 41 2HZ LYS 41 -9.438 -10.009 -11.853 298 3HZ LYS 41 3HZ LYS 41 -7.878 -9.530 -11.862 299 H LYS 42 HN LYS 42 -8.893 -3.883 -7.483 300 HA LYS 42 HA LYS 42 -10.748 -2.605 -7.605 301 1HB LYS 42 2HB LYS 42 -12.033 -4.848 -7.114 302 2HB LYS 42 3HB LYS 42 -12.210 -4.179 -5.505 303 1HG LYS 42 2HG LYS 42 -12.880 -1.984 -7.026 304 2HG LYS 42 3HG LYS 42 -13.423 -3.274 -8.081 305 1HD LYS 42 2HD LYS 42 -14.144 -3.369 -5.140 306 2HD LYS 42 3HD LYS 42 -15.038 -2.301 -6.204 307 1HE LYS 42 2HE LYS 42 -14.744 -4.923 -7.456 308 2HE LYS 42 3HE LYS 42 -15.420 -5.105 -5.850 309 1HZ LYS 42 1HZ LYS 42 -16.617 -4.020 -8.159 310 2HZ LYS 42 2HZ LYS 42 -17.315 -4.487 -6.759 311 3HZ LYS 42 3HZ LYS 42 -16.722 -2.973 -6.911 312 H SER 43 HN SER 43 -10.252 -3.883 -4.235 313 HA SER 43 HA SER 43 -10.549 -1.305 -3.148 314 1HB SER 43 2HB SER 43 -10.037 -4.050 -2.181 315 2HB SER 43 3HB SER 43 -9.218 -2.831 -1.224 316 HG SER 43 HG SER 43 -11.861 -2.146 -1.844 317 H ALA 44 HN ALA 44 -7.682 -3.559 -3.105 318 HA ALA 44 HA ALA 44 -5.818 -1.700 -2.342 319 1HB ALA 44 1HB ALA 44 -5.502 -4.109 -4.179 320 2HB ALA 44 2HB ALA 44 -4.180 -3.286 -3.314 321 3HB ALA 44 3HB ALA 44 -5.453 -4.132 -2.401 322 H HIS 45 HN HIS 45 -7.537 -2.018 -5.372 323 HA HIS 45 HA HIS 45 -5.550 -0.517 -6.825 324 1HB HIS 45 2HB HIS 45 -7.986 -2.066 -7.453 325 2HB HIS 45 3HB HIS 45 -7.746 -0.647 -8.453 326 HD1 HIS 45 HD1 HIS 45 -7.505 -2.887 -10.187 327 HD2 HIS 45 HD2 HIS 45 -4.280 -1.885 -7.698 328 HE1 HIS 45 HE1 HIS 45 -5.444 -3.987 -11.212 329 H LYS 46 HN LYS 46 -7.517 0.333 -4.399 330 HA LYS 46 HA LYS 46 -8.138 2.916 -5.648 331 1HB LYS 46 2HB LYS 46 -9.861 1.190 -3.875 332 2HB LYS 46 3HB LYS 46 -10.082 2.927 -3.926 333 1HG LYS 46 2HG LYS 46 -10.554 2.897 -6.302 334 2HG LYS 46 3HG LYS 46 -10.002 1.242 -6.464 335 1HD LYS 46 2HD LYS 46 -11.944 0.346 -5.523 336 2HD LYS 46 3HD LYS 46 -12.239 1.749 -4.515 337 1HE LYS 46 2HE LYS 46 -13.477 2.809 -6.130 338 2HE LYS 46 3HE LYS 46 -12.370 2.360 -7.413 339 1HZ LYS 46 1HZ LYS 46 -13.328 0.083 -7.207 340 2HZ LYS 46 2HZ LYS 46 -14.489 0.708 -6.244 341 3HZ LYS 46 3HZ LYS 46 -14.352 1.215 -7.790 342 H ASP 47 HN ASP 47 -8.973 4.186 -3.230 343 HA ASP 47 HA ASP 47 -6.770 5.270 -2.311 344 1HB ASP 47 2HB ASP 47 -9.212 4.467 -0.665 345 2HB ASP 47 3HB ASP 47 -7.995 5.585 -0.083 346 H ALA 48 HN ALA 48 -8.100 2.067 -1.423 347 HA ALA 48 HA ALA 48 -6.932 1.390 0.870 348 1HB ALA 48 1HB ALA 48 -6.775 -0.907 -0.044 349 2HB ALA 48 2HB ALA 48 -8.292 -0.111 -0.529 350 3HB ALA 48 3HB ALA 48 -6.953 -0.258 -1.692 351 H CYS 49 HN CYS 49 -5.176 0.290 -2.079 352 HA CYS 49 HA CYS 49 -2.708 0.866 -0.660 353 1HB CYS 49 2HB CYS 49 -3.229 -1.402 -1.678 354 2HB CYS 49 3HB CYS 49 -3.033 -0.651 -3.250 355 H LYS 50 HN LYS 50 -4.113 1.170 -4.012 356 HA LYS 50 HA LYS 50 -2.189 2.983 -4.907 357 1HB LYS 50 2HB LYS 50 -3.257 2.052 -6.676 358 2HB LYS 50 3HB LYS 50 -4.791 1.923 -5.840 359 1HG LYS 50 2HG LYS 50 -4.850 3.589 -7.716 360 2HG LYS 50 3HG LYS 50 -5.253 4.303 -6.168 361 1HD LYS 50 2HD LYS 50 -3.312 5.565 -6.076 362 2HD LYS 50 3HD LYS 50 -2.348 4.347 -6.890 363 1HE LYS 50 2HE LYS 50 -4.435 6.097 -8.278 364 2HE LYS 50 3HE LYS 50 -2.716 6.434 -8.269 365 1HZ LYS 50 1HZ LYS 50 -3.197 5.258 -10.220 366 2HZ LYS 50 2HZ LYS 50 -2.428 4.190 -9.253 367 3HZ LYS 50 3HZ LYS 50 -4.047 4.100 -9.443 368 H THR 51 HN THR 51 -1.759 4.749 -3.620 369 HA THR 51 HA THR 51 -3.464 6.951 -3.785 370 HB THR 51 HB THR 51 -4.803 5.494 -2.160 371 HG1 THR 51 HG1 THR 51 -4.859 7.412 -0.632 372 1HG2 THR 51 1HG THR 51 -4.011 5.325 0.142 373 2HG2 THR 51 2HG THR 51 -2.745 4.621 -0.894 374 3HG2 THR 51 3HG THR 51 -2.548 6.265 -0.240 375 H CYS 52 HN CYS 52 -1.076 5.335 -1.592 376 HA CYS 52 HA CYS 52 0.221 7.818 -1.099 377 1HB CYS 52 2HB CYS 52 0.083 5.612 0.337 378 2HB CYS 52 3HB CYS 52 1.513 5.169 -0.574 379 H HIS 53 HN HIS 53 2.837 7.677 -1.466 380 HA HIS 53 HA HIS 53 4.556 7.445 -2.851 381 1HB HIS 53 2HB HIS 53 2.837 5.967 -4.848 382 2HB HIS 53 3HB HIS 53 4.584 5.960 -4.710 383 HD1 HIS 53 HD1 HIS 53 1.867 3.816 -4.063 384 HD2 HIS 53 HD2 HIS 53 5.254 4.903 -1.841 385 HE1 HIS 53 HE1 HIS 53 2.204 1.976 -2.328 386 H LYS 54 HN LYS 54 1.400 8.011 -4.543 387 HA LYS 54 HA LYS 54 2.658 9.973 -6.246 388 1HB LYS 54 2HB LYS 54 0.337 10.174 -7.179 389 2HB LYS 54 3HB LYS 54 1.048 8.578 -7.297 390 1HG LYS 54 2HG LYS 54 -0.599 7.663 -6.028 391 2HG LYS 54 3HG LYS 54 -0.352 8.839 -4.752 392 1HD LYS 54 2HD LYS 54 -2.019 10.254 -5.528 393 2HD LYS 54 3HD LYS 54 -1.727 9.859 -7.211 394 1HE LYS 54 2HE LYS 54 -3.184 8.067 -7.192 395 2HE LYS 54 3HE LYS 54 -2.752 7.591 -5.562 396 1HZ LYS 54 1HZ LYS 54 -5.020 8.749 -6.141 397 2HZ LYS 54 2HZ LYS 54 -4.299 8.940 -4.690 398 3HZ LYS 54 3HZ LYS 54 -4.153 10.097 -5.831 399 H SER 55 HN SER 55 3.364 11.080 -4.080 400 HA SER 55 HA SER 55 1.811 13.390 -3.888 401 1HB SER 55 2HB SER 55 0.412 11.844 -2.463 402 2HB SER 55 3HB SER 55 1.786 11.629 -1.396 403 HG SER 55 HG SER 55 0.878 13.314 -0.391 404 H ASN 56 HN ASN 56 4.147 11.190 -2.214 405 HA ASN 56 HA ASN 56 5.684 13.535 -1.477 406 1HB ASN 56 2HB ASN 56 5.055 11.442 0.083 407 2HB ASN 56 3HB ASN 56 6.435 10.700 -0.699 408 1HD2 ASN 56 1HD ASN 56 8.440 11.215 -0.106 409 2HD2 ASN 56 2HD ASN 56 8.877 12.412 1.068 410 H ASN 57 HN ASN 57 6.131 10.157 -2.792 411 HA ASN 57 HA ASN 57 7.579 10.991 -4.989 412 1HB ASN 57 2HB ASN 57 9.865 10.227 -4.380 413 2HB ASN 57 3HB ASN 57 9.364 11.536 -3.329 414 1HD2 ASN 57 1HD ASN 57 11.309 9.356 -2.966 415 2HD2 ASN 57 2HD ASN 57 10.872 8.527 -1.509 416 H GLY 58 HN GLY 58 7.031 9.293 -6.364 417 1HA GLY 58 1HA GLY 58 7.762 6.751 -6.356 418 2HA GLY 58 2HA GLY 58 6.438 6.679 -5.209 419 HA PRO 59 HA PRO 59 4.908 6.776 -9.622 420 1HB PRO 59 2HB PRO 59 4.814 4.132 -10.309 421 2HB PRO 59 3HB PRO 59 6.113 5.203 -10.795 422 1HG PRO 59 2HG PRO 59 6.123 3.105 -8.713 423 2HG PRO 59 3HG PRO 59 7.485 3.877 -9.499 424 1HD PRO 59 2HD PRO 59 6.504 4.405 -6.856 425 2HD PRO 59 3HD PRO 59 7.792 5.257 -7.686 426 H THR 60 HN THR 60 2.866 5.595 -10.579 427 HA THR 60 HA THR 60 1.221 4.254 -8.765 428 HB THR 60 HB THR 60 1.472 6.658 -7.716 429 HG1 THR 60 HG1 THR 60 -1.040 5.369 -8.522 430 1HG2 THR 60 1HG THR 60 -0.405 8.152 -8.598 431 2HG2 THR 60 2HG THR 60 1.007 8.055 -9.676 432 3HG2 THR 60 3HG THR 60 -0.461 7.119 -10.046 433 H LYS 61 HN LYS 61 1.553 6.482 -11.541 434 HA LYS 61 HA LYS 61 -0.772 6.282 -12.811 435 1HB LYS 61 2HB LYS 61 0.350 6.858 -14.719 436 2HB LYS 61 3HB LYS 61 1.581 7.220 -13.526 437 1HG LYS 61 2HG LYS 61 2.575 4.934 -13.891 438 2HG LYS 61 3HG LYS 61 1.368 4.623 -15.123 439 1HD LYS 61 2HD LYS 61 2.688 5.637 -16.658 440 2HD LYS 61 3HD LYS 61 2.527 7.148 -15.785 441 1HE LYS 61 2HE LYS 61 4.507 6.749 -14.488 442 2HE LYS 61 3HE LYS 61 4.536 5.044 -14.895 443 1HZ LYS 61 1HZ LYS 61 5.075 7.290 -16.704 444 2HZ LYS 61 2HZ LYS 61 6.123 6.137 -16.215 445 3HZ LYS 61 3HZ LYS 61 4.896 5.752 -17.223 446 H CYS 62 HN CYS 62 1.724 3.670 -12.673 447 HA CYS 62 HA CYS 62 -0.330 1.714 -12.857 448 1HB CYS 62 2HB CYS 62 0.298 2.580 -15.293 449 2HB CYS 62 3HB CYS 62 1.631 1.461 -15.091 450 H GLY 63 HN GLY 63 3.192 2.442 -13.401 451 1HA GLY 63 1HA GLY 63 3.985 -0.027 -12.100 452 2HA GLY 63 2HA GLY 63 5.020 1.189 -12.822 453 H GLY 64 HN GLY 64 2.414 1.623 -10.347 454 1HA GLY 64 1HA GLY 64 4.152 3.226 -8.718 455 2HA GLY 64 2HA GLY 64 2.488 2.778 -8.396 456 H CYS 65 HN CYS 65 2.907 -0.145 -8.727 457 HA CYS 65 HA CYS 65 4.674 -0.646 -6.449 458 1HB CYS 65 2HB CYS 65 2.342 -2.402 -6.544 459 2HB CYS 65 3HB CYS 65 3.099 -1.594 -5.185 460 H HIS 66 HN HIS 66 2.677 -2.054 -9.143 461 HA HIS 66 HA HIS 66 3.938 -4.487 -9.289 462 1HB HIS 66 2HB HIS 66 2.578 -2.780 -11.379 463 2HB HIS 66 3HB HIS 66 3.193 -4.379 -11.743 464 HD1 HIS 66 HD1 HIS 66 2.327 -5.883 -9.151 465 HD2 HIS 66 HD2 HIS 66 -0.128 -3.255 -11.311 466 HE1 HIS 66 HE1 HIS 66 -0.078 -6.521 -8.583 467 H ILE 67 HN ILE 67 6.025 -5.032 -9.647 468 HA ILE 67 HA ILE 67 7.636 -3.124 -11.190 469 HB ILE 67 HB ILE 67 8.243 -4.914 -8.867 470 1HG1 ILE 67 2HG ILE 67 7.602 -2.626 -8.378 471 2HG1 ILE 67 3HG ILE 67 9.292 -2.879 -7.988 472 1HG2 ILE 67 1HG ILE 67 10.005 -4.373 -11.154 473 2HG2 ILE 67 2HG ILE 67 10.704 -3.937 -9.577 474 3HG2 ILE 67 3HG ILE 67 10.127 -5.595 -9.866 475 1HD1 ILE 67 1HD ILE 67 9.764 -1.076 -9.279 476 2HD1 ILE 67 2HD ILE 67 9.319 -2.062 -10.692 477 3HD1 ILE 67 3HD ILE 67 8.100 -1.027 -9.910 478 H LYS 68 HN LYS 68 8.201 -3.739 -13.202 479 HA LYS 68 HA LYS 68 8.215 -5.051 -15.015 480 1HB LYS 68 2HB LYS 68 10.481 -5.226 -13.974 481 2HB LYS 68 3HB LYS 68 9.989 -6.728 -13.217 482 1HG LYS 68 2HG LYS 68 9.270 -7.346 -15.743 483 2HG LYS 68 3HG LYS 68 10.481 -6.139 -16.132 484 1HD LYS 68 2HD LYS 68 11.525 -7.883 -14.057 485 2HD LYS 68 3HD LYS 68 10.903 -8.868 -15.366 486 1HE LYS 68 2HE LYS 68 13.059 -8.469 -16.160 487 2HE LYS 68 3HE LYS 68 12.215 -7.127 -16.905 488 1HZ LYS 68 1HZ LYS 68 13.926 -7.096 -14.544 489 2HZ LYS 68 2HZ LYS 68 13.998 -6.152 -15.875 490 3HZ LYS 68 3HZ LYS 68 12.823 -5.912 -14.767 491 HHA HEC 98 HGM HEC 98 -4.609 -4.986 8.610 492 HHB HEC 98 HDM HEC 98 -2.498 -1.846 13.576 493 HHC HEC 98 HAM HEC 98 1.359 1.404 9.746 494 HHD HEC 98 HBM HEC 98 -1.196 -1.506 4.865 495 1HMA HEC 98 1HM HEC 98 -4.766 -3.604 14.115 496 2HMA HEC 98 2HM HEC 98 -4.272 -5.293 13.844 497 3HMA HEC 98 3HM HEC 98 -3.064 -4.080 14.328 498 1HAA HEC 98 1HA HEC 98 -5.366 -6.114 12.064 499 2HAA HEC 98 2HA HEC 98 -5.725 -5.702 10.371 500 1HBA HEC 98 3HB HEC 98 -4.671 -7.733 9.936 501 2HBA HEC 98 4HB HEC 98 -3.191 -6.757 10.087 502 1HMB HEC 98 1HM HEC 98 -0.257 0.241 15.021 503 2HMB HEC 98 2HM HEC 98 -1.540 1.352 14.486 504 3HMB HEC 98 3HM HEC 98 -1.898 -0.376 14.712 505 HAB HEC 98 HT2 HEC 98 1.625 2.170 11.590 506 1HBB HEC 98 1HT HEC 98 2.861 0.424 12.685 507 2HBB HEC 98 2HT HEC 98 3.173 2.066 13.295 508 3HBB HEC 98 3HT HEC 98 2.166 0.943 14.239 509 1HMC HEC 98 1HM HEC 98 1.689 2.953 7.818 510 2HMC HEC 98 2HM HEC 98 2.936 1.689 7.912 511 3HMC HEC 98 3HM HEC 98 2.413 2.307 6.327 512 HAC HEC 98 HT4 HEC 98 0.729 1.953 4.626 513 1HBC HEC 98 1HT HEC 98 -0.940 -0.174 3.427 514 2HBC HEC 98 2HT HEC 98 -1.696 0.649 4.812 515 3HBC HEC 98 3HT HEC 98 -1.149 1.593 3.407 516 1HMD HEC 98 1HM HEC 98 -2.333 -2.353 3.474 517 2HMD HEC 98 2HM HEC 98 -2.298 -4.133 3.483 518 3HMD HEC 98 3HM HEC 98 -3.857 -3.274 3.452 519 1HAD HEC 98 1HA HEC 98 -4.698 -5.914 6.547 520 2HAD HEC 98 2HA HEC 98 -5.038 -5.080 5.013 521 1HBD HEC 98 3HB HEC 98 -2.444 -5.867 4.663 522 2HBD HEC 98 4HB HEC 98 -3.114 -7.201 5.634 523 HHA HEC 128 HGM HEC 128 9.141 2.706 -0.790 524 HHB HEC 128 HDM HEC 128 4.678 -1.232 -2.673 525 HHC HEC 128 HAM HEC 128 0.529 1.921 0.926 526 HHD HEC 128 HBM HEC 128 5.008 6.018 2.328 527 1HMA HEC 128 1HM HEC 128 7.998 -2.436 -2.380 528 2HMA HEC 128 2HM HEC 128 6.468 -2.141 -3.238 529 3HMA HEC 128 3HM HEC 128 7.994 -1.516 -3.902 530 1HAA HEC 128 1HA HEC 128 9.958 0.579 -2.893 531 2HAA HEC 128 2HA HEC 128 10.178 1.070 -1.197 532 1HBA HEC 128 3HB HEC 128 9.420 -1.711 -1.161 533 2HBA HEC 128 4HB HEC 128 10.682 -1.543 -2.403 534 1HMB HEC 128 1HM HEC 128 1.556 -1.157 -3.699 535 2HMB HEC 128 2HM HEC 128 2.957 -2.092 -3.126 536 3HMB HEC 128 3HM HEC 128 1.342 -2.405 -2.448 537 HAB HEC 128 HT2 HEC 128 -0.582 0.611 -0.269 538 1HBB HEC 128 1HT HEC 128 -1.453 -1.601 0.401 539 2HBB HEC 128 2HT HEC 128 0.238 -2.157 0.374 540 3HBB HEC 128 3HT HEC 128 -0.240 -0.811 1.435 541 1HMC HEC 128 1HM HEC 128 -0.529 4.936 2.115 542 2HMC HEC 128 2HM HEC 128 -0.541 3.174 1.870 543 3HMC HEC 128 3HM HEC 128 -0.114 3.848 3.460 544 HAC HEC 128 HT4 HEC 128 2.998 6.697 3.427 545 1HBC HEC 128 1HT HEC 128 0.584 5.657 4.053 546 2HBC HEC 128 2HT HEC 128 1.027 7.343 4.407 547 3HBC HEC 128 3HT HEC 128 0.054 6.964 2.966 548 1HMD HEC 128 1HM HEC 128 8.033 7.550 1.560 549 2HMD HEC 128 2HM HEC 128 6.506 7.303 2.440 550 3HMD HEC 128 3HM HEC 128 8.030 6.676 3.110 551 1HAD HEC 128 1HA HEC 128 10.168 5.036 0.022 552 2HAD HEC 128 2HA HEC 128 9.900 5.908 1.551 553 1HBD HEC 128 3HB HEC 128 10.067 3.809 2.783 554 2HBD HEC 128 4HB HEC 128 10.321 2.928 1.256 555 HHA HEC 158 HGM HEC 158 -3.423 -8.041 -7.734 556 HHB HEC 158 HDM HEC 158 -2.948 -5.991 -13.612 557 HHC HEC 158 HAM HEC 158 -1.649 -0.210 -11.376 558 HHD HEC 158 HBM HEC 158 -1.711 -2.538 -5.597 559 1HMA HEC 158 1HM HEC 158 -3.256 -8.852 -13.367 560 2HMA HEC 158 2HM HEC 158 -4.829 -9.257 -12.641 561 3HMA HEC 158 3HM HEC 158 -4.644 -7.761 -13.586 562 1HAA HEC 158 1HA HEC 158 -4.412 -9.358 -8.692 563 2HAA HEC 158 2HA HEC 158 -5.501 -9.547 -10.087 564 1HBA HEC 158 3HB HEC 158 -3.117 -10.234 -11.270 565 2HBA HEC 158 4HB HEC 158 -2.784 -10.762 -9.605 566 1HMB HEC 158 1HM HEC 158 -2.454 -3.271 -15.898 567 2HMB HEC 158 2HM HEC 158 -0.995 -4.162 -15.406 568 3HMB HEC 158 3HM HEC 158 -2.594 -4.930 -15.272 569 HAB HEC 158 HT2 HEC 158 -0.824 -0.454 -13.758 570 1HBB HEC 158 1HT HEC 158 -2.147 1.165 -13.457 571 2HBB HEC 158 2HT HEC 158 -3.339 0.525 -14.614 572 3HBB HEC 158 3HT HEC 158 -3.374 -0.004 -12.915 573 1HMC HEC 158 1HM HEC 158 -0.575 1.907 -8.575 574 2HMC HEC 158 2HM HEC 158 -0.382 1.287 -10.232 575 3HMC HEC 158 3HM HEC 158 -1.985 1.803 -9.656 576 HAC HEC 158 HT4 HEC 158 0.236 -0.556 -6.021 577 1HBC HEC 158 1HT HEC 158 -1.343 0.947 -4.494 578 2HBC HEC 158 2HT HEC 158 -2.614 0.289 -5.552 579 3HBC HEC 158 3HT HEC 158 -1.584 -0.813 -4.608 580 1HMD HEC 158 1HM HEC 158 -2.891 -4.811 -3.290 581 2HMD HEC 158 2HM HEC 158 -1.142 -4.987 -3.570 582 3HMD HEC 158 3HM HEC 158 -1.936 -3.421 -3.858 583 1HAD HEC 158 1HA HEC 158 -2.964 -7.076 -3.902 584 2HAD HEC 158 2HA HEC 158 -4.480 -7.165 -4.829 585 1HBD HEC 158 3HB HEC 158 -2.280 -8.506 -6.180 586 2HBD HEC 158 4HB HEC 158 -2.590 -9.161 -4.555 Start of MODEL 32 1 H ALA 1 HN ALA 1 5.174 -10.414 10.879 2 HA ALA 1 HA ALA 1 4.476 -9.053 8.668 3 1HB ALA 1 1HB ALA 1 3.967 -7.217 10.134 4 2HB ALA 1 2HB ALA 1 3.745 -8.709 11.077 5 3HB ALA 1 3HB ALA 1 5.210 -7.724 11.302 6 H ASP 2 HN ASP 2 5.624 -6.318 9.479 7 HA ASP 2 HA ASP 2 7.420 -5.080 9.155 8 1HB ASP 2 2HB ASP 2 8.692 -7.485 9.516 9 2HB ASP 2 3HB ASP 2 9.103 -7.181 7.839 10 H VAL 3 HN VAL 3 6.753 -7.710 6.760 11 HA VAL 3 HA VAL 3 6.281 -5.732 4.723 12 HB VAL 3 HB VAL 3 8.689 -7.485 4.770 13 1HG1 VAL 3 1HG VAL 3 6.979 -6.979 2.336 14 2HG1 VAL 3 2HG VAL 3 8.742 -7.188 2.195 15 3HG1 VAL 3 3HG VAL 3 7.742 -8.492 2.882 16 1HG2 VAL 3 1HG VAL 3 9.025 -5.244 3.098 17 2HG2 VAL 3 2HG VAL 3 8.049 -4.678 4.475 18 3HG2 VAL 3 3HG VAL 3 9.623 -5.459 4.761 19 H VAL 4 HN VAL 4 4.226 -6.374 4.258 20 HA VAL 4 HA VAL 4 3.571 -9.178 4.324 21 HB VAL 4 HB VAL 4 2.122 -6.585 4.029 22 1HG1 VAL 4 1HG VAL 4 0.909 -7.541 2.339 23 2HG1 VAL 4 2HG VAL 4 1.242 -9.202 2.884 24 3HG1 VAL 4 3HG VAL 4 0.030 -8.214 3.732 25 1HG2 VAL 4 1HG VAL 4 1.625 -9.042 5.744 26 2HG2 VAL 4 2HG VAL 4 2.522 -7.591 6.253 27 3HG2 VAL 4 3HG VAL 4 0.788 -7.475 5.866 28 H THR 5 HN THR 5 4.789 -10.151 2.657 29 HA THR 5 HA THR 5 4.710 -9.044 0.007 30 HB THR 5 HB THR 5 5.878 -11.502 1.372 31 HG1 THR 5 HG1 THR 5 6.908 -9.325 -0.303 32 1HG2 THR 5 1HG THR 5 5.369 -12.394 -0.822 33 2HG2 THR 5 2HG THR 5 5.742 -10.841 -1.609 34 3HG2 THR 5 3HG THR 5 7.053 -11.825 -0.914 35 H TYR 6 HN TYR 6 3.226 -9.330 -1.532 36 HA TYR 6 HA TYR 6 1.303 -11.514 -1.090 37 1HB TYR 6 2HB TYR 6 1.222 -8.617 -1.796 38 2HB TYR 6 3HB TYR 6 0.317 -9.584 -2.943 39 HD1 TYR 6 HD1 TYR 6 0.695 -9.100 0.758 40 HD2 TYR 6 HD2 TYR 6 -1.912 -10.091 -2.487 41 HE1 TYR 6 HE1 TYR 6 -1.284 -9.154 2.354 42 HE2 TYR 6 HE2 TYR 6 -3.881 -10.141 -0.880 43 HH TYR 6 HH TYR 6 -4.071 -8.754 1.778 44 H GLU 7 HN GLU 7 1.303 -13.137 -2.563 45 HA GLU 7 HA GLU 7 2.918 -12.765 -4.910 46 1HB GLU 7 2HB GLU 7 1.640 -15.132 -3.529 47 2HB GLU 7 3HB GLU 7 2.164 -15.293 -5.194 48 1HG GLU 7 2HG GLU 7 4.202 -13.964 -3.532 49 2HG GLU 7 3HG GLU 7 3.781 -15.544 -2.902 50 H ASN 8 HN ASN 8 2.141 -12.436 -6.971 51 HA ASN 8 HA ASN 8 -0.659 -13.030 -7.415 52 1HB ASN 8 2HB ASN 8 -0.888 -10.819 -8.650 53 2HB ASN 8 3HB ASN 8 -0.673 -10.635 -6.921 54 1HD2 ASN 8 1HD ASN 8 0.602 -9.041 -6.415 55 2HD2 ASN 8 2HD ASN 8 2.029 -8.523 -7.248 56 H LYS 9 HN LYS 9 -1.056 -12.568 -9.989 57 HA LYS 9 HA LYS 9 1.157 -13.911 -11.324 58 1HB LYS 9 2HB LYS 9 -1.734 -13.985 -11.502 59 2HB LYS 9 3HB LYS 9 -1.037 -13.643 -13.073 60 1HG LYS 9 2HG LYS 9 0.411 -15.753 -11.561 61 2HG LYS 9 3HG LYS 9 -1.251 -16.170 -11.935 62 1HD LYS 9 2HD LYS 9 -0.673 -15.327 -14.365 63 2HD LYS 9 3HD LYS 9 0.998 -15.490 -13.860 64 1HE LYS 9 2HE LYS 9 0.928 -17.758 -14.043 65 2HE LYS 9 3HE LYS 9 -0.539 -17.863 -13.091 66 1HZ LYS 9 1HZ LYS 9 -0.477 -18.433 -15.632 67 2HZ LYS 9 2HZ LYS 9 -1.811 -17.810 -14.926 68 3HZ LYS 9 3HZ LYS 9 -0.810 -16.840 -15.778 69 H LYS 10 HN LYS 10 0.770 -10.880 -10.495 70 HA LYS 10 HA LYS 10 1.707 -9.906 -13.087 71 1HB LYS 10 2HB LYS 10 -0.720 -9.342 -12.804 72 2HB LYS 10 3HB LYS 10 -0.304 -8.418 -11.375 73 1HG LYS 10 2HG LYS 10 -0.092 -6.685 -12.863 74 2HG LYS 10 3HG LYS 10 1.504 -7.359 -13.127 75 1HD LYS 10 2HD LYS 10 -0.844 -8.411 -14.731 76 2HD LYS 10 3HD LYS 10 -0.098 -6.893 -15.190 77 1HE LYS 10 2HE LYS 10 2.097 -8.607 -14.759 78 2HE LYS 10 3HE LYS 10 0.908 -9.642 -15.525 79 1HZ LYS 10 1HZ LYS 10 2.128 -8.576 -17.205 80 2HZ LYS 10 2HZ LYS 10 0.660 -7.862 -17.209 81 3HZ LYS 10 3HZ LYS 10 1.941 -7.094 -16.548 82 H GLY 11 HN GLY 11 3.760 -10.429 -11.869 83 1HA GLY 11 1HA GLY 11 5.636 -9.430 -11.042 84 2HA GLY 11 2HA GLY 11 4.706 -8.013 -10.600 85 H ASN 12 HN ASN 12 4.848 -7.651 -8.430 86 HA ASN 12 HA ASN 12 3.833 -9.529 -6.646 87 1HB ASN 12 2HB ASN 12 6.605 -9.902 -7.252 88 2HB ASN 12 3HB ASN 12 6.569 -9.133 -5.677 89 1HD2 ASN 12 1HD ASN 12 6.500 -12.005 -7.276 90 2HD2 ASN 12 2HD ASN 12 5.790 -13.040 -6.082 91 H VAL 13 HN VAL 13 2.927 -8.154 -5.106 92 HA VAL 13 HA VAL 13 4.102 -5.499 -4.830 93 HB VAL 13 HB VAL 13 1.801 -5.485 -5.367 94 1HG1 VAL 13 1HG VAL 13 1.695 -7.836 -3.620 95 2HG1 VAL 13 2HG VAL 13 0.356 -6.698 -3.337 96 3HG1 VAL 13 3HG VAL 13 0.634 -7.359 -4.967 97 1HG2 VAL 13 1HG VAL 13 2.544 -3.898 -3.594 98 2HG2 VAL 13 2HG VAL 13 0.815 -4.308 -3.496 99 3HG2 VAL 13 3HG VAL 13 1.971 -5.052 -2.366 100 H THR 14 HN THR 14 5.965 -6.093 -3.571 101 HA THR 14 HA THR 14 5.589 -7.515 -1.106 102 HB THR 14 HB THR 14 7.655 -7.561 -2.623 103 HG1 THR 14 HG1 THR 14 9.021 -7.330 -0.611 104 1HG2 THR 14 1HG THR 14 9.094 -5.737 -2.773 105 2HG2 THR 14 2HG THR 14 7.569 -4.832 -2.607 106 3HG2 THR 14 3HG THR 14 8.605 -5.099 -1.185 107 H PHE 15 HN PHE 15 3.784 -6.073 -0.356 108 HA PHE 15 HA PHE 15 4.017 -3.442 0.226 109 1HB PHE 15 2HB PHE 15 2.194 -5.366 0.663 110 2HB PHE 15 3HB PHE 15 2.951 -5.480 2.240 111 HD1 PHE 15 HD1 PHE 15 2.328 -2.415 0.229 112 HD2 PHE 15 HD2 PHE 15 1.300 -4.667 3.675 113 HE1 PHE 15 HE1 PHE 15 0.909 -0.514 1.049 114 HE2 PHE 15 HE2 PHE 15 -0.118 -2.766 4.495 115 HZ PHE 15 HZ PHE 15 -0.297 -0.711 3.173 116 H ASP 16 HN ASP 16 4.064 -2.599 2.695 117 HA ASP 16 HA ASP 16 6.281 -3.851 4.062 118 1HB ASP 16 2HB ASP 16 6.260 -0.839 3.756 119 2HB ASP 16 3HB ASP 16 7.604 -1.884 4.172 120 H HIS 17 HN HIS 17 5.749 -3.938 6.259 121 HA HIS 17 HA HIS 17 3.517 -2.278 7.117 122 1HB HIS 17 2HB HIS 17 3.933 -4.945 7.389 123 2HB HIS 17 3HB HIS 17 4.618 -4.380 8.900 124 HD1 HIS 17 HD1 HIS 17 2.827 -4.993 10.563 125 HD2 HIS 17 HD2 HIS 17 1.293 -2.968 7.225 126 HE1 HIS 17 HE1 HIS 17 0.366 -4.545 11.067 127 H LYS 18 HN LYS 18 6.726 -3.440 8.383 128 HA LYS 18 HA LYS 18 6.780 -1.249 10.246 129 1HB LYS 18 2HB LYS 18 7.642 -3.691 10.554 130 2HB LYS 18 3HB LYS 18 9.065 -3.133 9.697 131 1HG LYS 18 2HG LYS 18 9.775 -2.497 11.783 132 2HG LYS 18 3HG LYS 18 8.786 -1.082 11.484 133 1HD LYS 18 2HD LYS 18 6.829 -2.596 12.473 134 2HD LYS 18 3HD LYS 18 8.149 -3.514 13.169 135 1HE LYS 18 2HE LYS 18 8.406 -1.965 14.805 136 2HE LYS 18 3HE LYS 18 8.703 -0.716 13.612 137 1HZ LYS 18 1HZ LYS 18 6.324 -0.445 13.395 138 2HZ LYS 18 2HZ LYS 18 6.050 -1.605 14.511 139 3HZ LYS 18 3HZ LYS 18 6.787 -0.214 14.943 140 H ALA 19 HN ALA 19 8.347 -2.212 7.156 141 HA ALA 19 HA ALA 19 10.274 -0.222 7.080 142 1HB ALA 19 1HB ALA 19 9.289 -0.710 4.444 143 2HB ALA 19 2HB ALA 19 10.720 -1.416 5.231 144 3HB ALA 19 3HB ALA 19 9.142 -2.230 5.356 145 H HIS 20 HN HIS 20 6.782 -0.199 6.235 146 HA HIS 20 HA HIS 20 6.908 2.407 5.113 147 1HB HIS 20 2HB HIS 20 4.800 0.399 5.745 148 2HB HIS 20 3HB HIS 20 4.288 2.071 5.623 149 HD1 HIS 20 HD1 HIS 20 3.802 -0.472 3.573 150 HD2 HIS 20 HD2 HIS 20 6.250 2.890 3.020 151 HE1 HIS 20 HE1 HIS 20 4.096 -0.209 1.053 152 H ALA 21 HN ALA 21 5.241 1.158 8.099 153 HA ALA 21 HA ALA 21 4.511 3.396 9.294 154 1HB ALA 21 1HB ALA 21 4.327 1.100 10.227 155 2HB ALA 21 2HB ALA 21 6.053 1.150 10.657 156 3HB ALA 21 3HB ALA 21 4.908 2.269 11.438 157 H GLU 22 HN GLU 22 7.904 2.234 9.010 158 HA GLU 22 HA GLU 22 9.218 3.788 10.690 159 1HB GLU 22 2HB GLU 22 9.901 3.221 7.776 160 2HB GLU 22 3HB GLU 22 11.043 3.932 8.899 161 1HG GLU 22 2HG GLU 22 9.845 1.617 10.162 162 2HG GLU 22 3HG GLU 22 10.387 1.153 8.561 163 H LYS 23 HN LYS 23 7.868 4.861 7.512 164 HA LYS 23 HA LYS 23 8.625 7.599 8.184 165 1HB LYS 23 2HB LYS 23 7.995 6.130 5.656 166 2HB LYS 23 3HB LYS 23 7.639 7.844 5.721 167 1HG LYS 23 2HG LYS 23 10.326 6.959 6.752 168 2HG LYS 23 3HG LYS 23 10.074 6.901 5.019 169 1HD LYS 23 2HD LYS 23 9.229 9.333 5.185 170 2HD LYS 23 3HD LYS 23 9.816 9.336 6.836 171 1HE LYS 23 2HE LYS 23 12.048 8.379 5.609 172 2HE LYS 23 3HE LYS 23 11.372 9.279 4.265 173 1HZ LYS 23 1HZ LYS 23 12.601 10.256 6.600 174 2HZ LYS 23 2HZ LYS 23 12.224 11.053 5.225 175 3HZ LYS 23 3HZ LYS 23 11.120 10.921 6.421 176 H LEU 24 HN LEU 24 5.799 5.494 7.427 177 HA LEU 24 HA LEU 24 3.944 7.633 7.725 178 1HB LEU 24 2HB LEU 24 3.559 4.636 7.680 179 2HB LEU 24 3HB LEU 24 2.270 5.823 7.625 180 HG LEU 24 HG LEU 24 3.228 6.702 5.487 181 1HD1 LEU 24 1HD LEU 24 5.137 4.399 5.884 182 2HD1 LEU 24 2HD LEU 24 4.792 5.086 4.278 183 3HD1 LEU 24 3HD LEU 24 5.500 6.109 5.551 184 1HD2 LEU 24 1HD LEU 24 1.945 5.292 4.281 185 2HD2 LEU 24 2HD LEU 24 2.754 3.837 4.909 186 3HD2 LEU 24 3HD LEU 24 1.511 4.656 5.886 187 H GLY 25 HN GLY 25 2.982 4.826 9.500 188 1HA GLY 25 1HA GLY 25 3.829 4.792 11.950 189 2HA GLY 25 2HA GLY 25 3.112 6.391 11.983 190 H CYS 26 HN CYS 26 1.965 3.474 10.178 191 HA CYS 26 HA CYS 26 0.146 2.250 10.364 192 1HB CYS 26 2HB CYS 26 -0.803 3.334 12.953 193 2HB CYS 26 3HB CYS 26 -0.718 1.680 12.380 194 H ASP 27 HN ASP 27 -0.421 5.499 11.914 195 HA ASP 27 HA ASP 27 -3.004 5.763 10.989 196 1HB ASP 27 2HB ASP 27 -0.858 7.597 12.011 197 2HB ASP 27 3HB ASP 27 -2.183 8.362 11.157 198 H ALA 28 HN ALA 28 -2.422 4.847 8.690 199 HA ALA 28 HA ALA 28 -2.004 7.134 6.928 200 1HB ALA 28 1HB ALA 28 -0.084 5.029 7.396 201 2HB ALA 28 2HB ALA 28 -0.700 4.905 5.730 202 3HB ALA 28 3HB ALA 28 0.031 6.426 6.299 203 H CYS 29 HN CYS 29 -2.645 3.557 7.088 204 HA CYS 29 HA CYS 29 -4.758 4.027 5.113 205 1HB CYS 29 2HB CYS 29 -4.337 1.304 5.154 206 2HB CYS 29 3HB CYS 29 -3.769 2.433 3.941 207 H HIS 30 HN HIS 30 -3.970 3.340 8.386 208 HA HIS 30 HA HIS 30 -6.511 1.959 8.804 209 1HB HIS 30 2HB HIS 30 -4.201 2.278 10.738 210 2HB HIS 30 3HB HIS 30 -5.618 1.265 10.944 211 HD1 HIS 30 HD1 HIS 30 -5.646 -1.029 9.763 212 HD2 HIS 30 HD2 HIS 30 -2.272 1.292 8.857 213 HE1 HIS 30 HE1 HIS 30 -4.014 -2.579 8.560 214 H GLU 31 HN GLU 31 -7.285 2.609 11.285 215 HA GLU 31 HA GLU 31 -6.911 5.211 12.083 216 1HB GLU 31 2HB GLU 31 -8.176 5.465 9.765 217 2HB GLU 31 3HB GLU 31 -9.594 5.034 10.700 218 1HG GLU 31 2HG GLU 31 -9.448 6.959 12.071 219 2HG GLU 31 3HG GLU 31 -7.741 7.189 11.745 220 H GLY 32 HN GLY 32 -7.117 4.604 14.209 221 1HA GLY 32 1HA GLY 32 -8.173 4.056 16.125 222 2HA GLY 32 2HA GLY 32 -9.697 4.041 15.260 223 H THR 33 HN THR 33 -6.864 2.113 16.246 224 HA THR 33 HA THR 33 -6.624 -0.075 16.575 225 HB THR 33 HB THR 33 -9.602 -0.357 15.931 226 HG1 THR 33 HG1 THR 33 -9.047 1.368 17.514 227 1HG2 THR 33 1HG THR 33 -9.120 -1.914 18.100 228 2HG2 THR 33 2HG THR 33 -8.930 -2.537 16.443 229 3HG2 THR 33 3HG THR 33 -7.505 -1.987 17.356 230 HA PRO 34 HA PRO 34 -5.947 -0.957 12.335 231 1HB PRO 34 2HB PRO 34 -3.558 -2.240 12.675 232 2HB PRO 34 3HB PRO 34 -3.691 -0.508 12.441 233 1HG PRO 34 2HG PRO 34 -3.127 -2.004 14.928 234 2HG PRO 34 3HG PRO 34 -2.849 -0.310 14.578 235 1HD PRO 34 2HD PRO 34 -4.972 -1.409 16.163 236 2HD PRO 34 3HD PRO 34 -4.759 0.272 15.717 237 H ALA 35 HN ALA 35 -6.619 -2.589 11.044 238 HA ALA 35 HA ALA 35 -6.438 -5.255 12.140 239 1HB ALA 35 1HB ALA 35 -8.712 -3.808 12.723 240 2HB ALA 35 2HB ALA 35 -9.175 -4.635 11.216 241 3HB ALA 35 3HB ALA 35 -8.628 -5.584 12.621 242 H LYS 36 HN LYS 36 -6.980 -6.902 10.470 243 HA LYS 36 HA LYS 36 -5.765 -6.469 8.103 244 1HB LYS 36 2HB LYS 36 -6.607 -8.534 7.422 245 2HB LYS 36 3HB LYS 36 -6.618 -8.639 9.171 246 1HG LYS 36 2HG LYS 36 -8.830 -9.124 9.079 247 2HG LYS 36 3HG LYS 36 -9.125 -7.493 8.509 248 1HD LYS 36 2HD LYS 36 -8.445 -9.872 6.712 249 2HD LYS 36 3HD LYS 36 -10.061 -9.242 6.968 250 1HE LYS 36 2HE LYS 36 -9.231 -6.982 6.109 251 2HE LYS 36 3HE LYS 36 -7.712 -7.754 5.702 252 1HZ LYS 36 1HZ LYS 36 -8.716 -8.236 3.807 253 2HZ LYS 36 2HZ LYS 36 -9.548 -9.387 4.613 254 3HZ LYS 36 3HZ LYS 36 -10.215 -7.916 4.372 255 H ILE 37 HN ILE 37 -6.247 -5.654 6.076 256 HA ILE 37 HA ILE 37 -8.860 -4.323 5.901 257 HB ILE 37 HB ILE 37 -6.237 -3.563 4.611 258 1HG1 ILE 37 2HG ILE 37 -7.695 -2.096 6.819 259 2HG1 ILE 37 3HG ILE 37 -6.435 -3.271 7.138 260 1HG2 ILE 37 1HG ILE 37 -7.521 -1.432 4.106 261 2HG2 ILE 37 2HG ILE 37 -7.960 -2.871 3.155 262 3HG2 ILE 37 3HG ILE 37 -8.999 -2.343 4.501 263 1HD1 ILE 37 1HD ILE 37 -5.941 -0.621 6.751 264 2HD1 ILE 37 2HD ILE 37 -4.757 -1.895 6.372 265 3HD1 ILE 37 3HD ILE 37 -5.770 -1.209 5.079 266 H ALA 38 HN ALA 38 -9.725 -4.128 3.622 267 HA ALA 38 HA ALA 38 -9.363 -6.710 2.326 268 1HB ALA 38 1HB ALA 38 -11.550 -4.920 2.842 269 2HB ALA 38 2HB ALA 38 -11.374 -5.104 1.081 270 3HB ALA 38 3HB ALA 38 -11.591 -6.541 2.109 271 H ILE 39 HN ILE 39 -7.301 -6.378 1.326 272 HA ILE 39 HA ILE 39 -7.400 -4.393 -0.839 273 HB ILE 39 HB ILE 39 -5.136 -5.256 0.943 274 1HG1 ILE 39 2HG ILE 39 -6.764 -3.290 1.438 275 2HG1 ILE 39 3HG ILE 39 -5.038 -3.060 1.642 276 1HG2 ILE 39 1HG ILE 39 -3.814 -5.269 -0.864 277 2HG2 ILE 39 2HG ILE 39 -5.030 -4.467 -1.886 278 3HG2 ILE 39 3HG ILE 39 -3.991 -3.499 -0.814 279 1HD1 ILE 39 1HD ILE 39 -6.190 -2.465 -1.072 280 2HD1 ILE 39 2HD ILE 39 -6.537 -1.322 0.246 281 3HD1 ILE 39 3HD ILE 39 -4.852 -1.669 -0.210 282 H ASP 40 HN ASP 40 -7.604 -5.310 -2.802 283 HA ASP 40 HA ASP 40 -6.165 -7.780 -3.238 284 1HB ASP 40 2HB ASP 40 -8.376 -8.611 -2.772 285 2HB ASP 40 3HB ASP 40 -9.137 -7.317 -3.677 286 H LYS 41 HN LYS 41 -8.722 -5.867 -4.998 287 HA LYS 41 HA LYS 41 -6.918 -4.479 -6.637 288 1HB LYS 41 2HB LYS 41 -6.718 -6.963 -7.424 289 2HB LYS 41 3HB LYS 41 -8.275 -6.682 -8.177 290 1HG LYS 41 2HG LYS 41 -6.426 -4.453 -8.688 291 2HG LYS 41 3HG LYS 41 -5.748 -5.978 -9.222 292 1HD LYS 41 2HD LYS 41 -8.623 -5.320 -9.911 293 2HD LYS 41 3HD LYS 41 -7.333 -4.572 -10.832 294 1HE LYS 41 2HE LYS 41 -7.596 -6.499 -12.097 295 2HE LYS 41 3HE LYS 41 -6.411 -7.095 -10.952 296 1HZ LYS 41 1HZ LYS 41 -9.228 -7.303 -10.266 297 2HZ LYS 41 2HZ LYS 41 -8.607 -8.361 -11.345 298 3HZ LYS 41 3HZ LYS 41 -7.984 -8.272 -9.838 299 H LYS 42 HN LYS 42 -8.548 -3.043 -5.524 300 HA LYS 42 HA LYS 42 -10.463 -2.222 -7.384 301 1HB LYS 42 2HB LYS 42 -12.535 -2.727 -6.141 302 2HB LYS 42 3HB LYS 42 -11.746 -4.165 -6.753 303 1HG LYS 42 2HG LYS 42 -10.620 -4.381 -4.440 304 2HG LYS 42 3HG LYS 42 -11.705 -3.121 -3.888 305 1HD LYS 42 2HD LYS 42 -13.031 -5.350 -5.365 306 2HD LYS 42 3HD LYS 42 -12.295 -5.816 -3.843 307 1HE LYS 42 2HE LYS 42 -13.728 -3.295 -3.510 308 2HE LYS 42 3HE LYS 42 -14.792 -4.488 -4.227 309 1HZ LYS 42 1HZ LYS 42 -14.722 -5.745 -2.391 310 2HZ LYS 42 2HZ LYS 42 -13.163 -5.410 -2.040 311 3HZ LYS 42 3HZ LYS 42 -14.334 -4.341 -1.651 312 H SER 43 HN SER 43 -9.559 -2.413 -3.892 313 HA SER 43 HA SER 43 -10.184 0.415 -3.710 314 1HB SER 43 2HB SER 43 -10.357 -1.846 -1.887 315 2HB SER 43 3HB SER 43 -9.352 -0.599 -1.177 316 HG SER 43 HG SER 43 -12.114 -0.578 -1.766 317 H ALA 44 HN ALA 44 -7.571 -2.024 -3.348 318 HA ALA 44 HA ALA 44 -5.618 -0.398 -2.253 319 1HB ALA 44 1HB ALA 44 -5.851 -3.016 -3.081 320 2HB ALA 44 2HB ALA 44 -4.707 -2.353 -4.274 321 3HB ALA 44 3HB ALA 44 -4.339 -2.250 -2.535 322 H HIS 45 HN HIS 45 -7.187 -0.250 -5.341 323 HA HIS 45 HA HIS 45 -4.961 1.290 -6.437 324 1HB HIS 45 2HB HIS 45 -7.358 -0.030 -7.726 325 2HB HIS 45 3HB HIS 45 -6.311 1.082 -8.584 326 HD1 HIS 45 HD1 HIS 45 -6.037 -1.267 -10.058 327 HD2 HIS 45 HD2 HIS 45 -4.116 -1.051 -6.335 328 HE1 HIS 45 HE1 HIS 45 -4.242 -3.081 -10.073 329 H LYS 46 HN LYS 46 -7.468 1.828 -4.434 330 HA LYS 46 HA LYS 46 -8.130 4.383 -5.726 331 1HB LYS 46 2HB LYS 46 -9.890 2.344 -5.072 332 2HB LYS 46 3HB LYS 46 -10.025 3.428 -3.702 333 1HG LYS 46 2HG LYS 46 -10.441 5.346 -5.232 334 2HG LYS 46 3HG LYS 46 -10.244 4.299 -6.623 335 1HD LYS 46 2HD LYS 46 -12.389 3.569 -6.478 336 2HD LYS 46 3HD LYS 46 -12.191 3.132 -4.792 337 1HE LYS 46 2HE LYS 46 -12.369 5.752 -4.377 338 2HE LYS 46 3HE LYS 46 -13.105 5.773 -5.967 339 1HZ LYS 46 1HZ LYS 46 -14.642 5.459 -4.060 340 2HZ LYS 46 2HZ LYS 46 -14.785 4.338 -5.238 341 3HZ LYS 46 3HZ LYS 46 -14.017 3.967 -3.845 342 H ASP 47 HN ASP 47 -9.480 5.273 -3.218 343 HA ASP 47 HA ASP 47 -7.514 6.711 -2.127 344 1HB ASP 47 2HB ASP 47 -8.991 6.722 -0.005 345 2HB ASP 47 3HB ASP 47 -9.744 7.239 -1.502 346 H ALA 48 HN ALA 48 -8.513 3.344 -1.383 347 HA ALA 48 HA ALA 48 -7.472 2.760 0.983 348 1HB ALA 48 1HB ALA 48 -7.415 0.567 0.253 349 2HB ALA 48 2HB ALA 48 -8.379 1.298 -1.052 350 3HB ALA 48 3HB ALA 48 -6.644 0.987 -1.295 351 H CYS 49 HN CYS 49 -5.539 3.209 -2.046 352 HA CYS 49 HA CYS 49 -3.198 3.475 -0.302 353 1HB CYS 49 2HB CYS 49 -3.457 2.183 -3.010 354 2HB CYS 49 3HB CYS 49 -1.917 2.781 -2.426 355 H LYS 50 HN LYS 50 -2.708 4.021 -3.681 356 HA LYS 50 HA LYS 50 -1.860 5.964 -4.528 357 1HB LYS 50 2HB LYS 50 -4.827 6.548 -4.304 358 2HB LYS 50 3HB LYS 50 -3.717 7.236 -5.472 359 1HG LYS 50 2HG LYS 50 -3.342 4.424 -5.665 360 2HG LYS 50 3HG LYS 50 -5.076 4.644 -5.523 361 1HD LYS 50 2HD LYS 50 -5.179 5.311 -7.685 362 2HD LYS 50 3HD LYS 50 -4.133 6.671 -7.324 363 1HE LYS 50 2HE LYS 50 -2.122 5.269 -7.698 364 2HE LYS 50 3HE LYS 50 -3.126 3.857 -7.962 365 1HZ LYS 50 1HZ LYS 50 -2.362 5.707 -9.826 366 2HZ LYS 50 2HZ LYS 50 -3.412 4.474 -10.040 367 3HZ LYS 50 3HZ LYS 50 -3.963 5.954 -9.622 368 H THR 51 HN THR 51 -4.054 8.324 -3.734 369 HA THR 51 HA THR 51 -3.545 10.301 -2.726 370 HB THR 51 HB THR 51 -3.863 8.261 -0.462 371 HG1 THR 51 HG1 THR 51 -5.891 8.342 -1.341 372 1HG2 THR 51 1HG THR 51 -3.110 10.828 0.006 373 2HG2 THR 51 2HG THR 51 -4.841 11.106 -0.298 374 3HG2 THR 51 3HG THR 51 -4.331 10.012 1.011 375 H CYS 52 HN CYS 52 -2.012 8.723 0.012 376 HA CYS 52 HA CYS 52 0.062 10.380 0.224 377 1HB CYS 52 2HB CYS 52 -0.211 8.874 1.959 378 2HB CYS 52 3HB CYS 52 -0.239 7.479 0.901 379 H HIS 53 HN HIS 53 0.461 7.076 -1.265 380 HA HIS 53 HA HIS 53 2.867 7.331 -2.353 381 1HB HIS 53 2HB HIS 53 0.443 5.819 -2.988 382 2HB HIS 53 3HB HIS 53 1.461 6.069 -4.393 383 HD1 HIS 53 HD1 HIS 53 2.193 3.586 -4.501 384 HD2 HIS 53 HD2 HIS 53 3.155 5.488 -0.889 385 HE1 HIS 53 HE1 HIS 53 3.790 2.022 -3.273 386 H LYS 54 HN LYS 54 -0.149 8.840 -3.567 387 HA LYS 54 HA LYS 54 1.235 9.898 -5.871 388 1HB LYS 54 2HB LYS 54 -1.592 9.807 -4.895 389 2HB LYS 54 3HB LYS 54 -1.145 11.079 -6.012 390 1HG LYS 54 2HG LYS 54 -0.180 9.325 -7.561 391 2HG LYS 54 3HG LYS 54 -0.748 8.084 -6.462 392 1HD LYS 54 2HD LYS 54 -2.598 8.134 -7.834 393 2HD LYS 54 3HD LYS 54 -3.079 9.431 -6.758 394 1HE LYS 54 2HE LYS 54 -1.443 10.726 -8.645 395 2HE LYS 54 3HE LYS 54 -2.317 9.551 -9.607 396 1HZ LYS 54 1HZ LYS 54 -3.315 11.879 -8.954 397 2HZ LYS 54 2HZ LYS 54 -4.258 10.567 -9.199 398 3HZ LYS 54 3HZ LYS 54 -3.873 11.024 -7.679 399 H SER 55 HN SER 55 2.707 10.712 -3.780 400 HA SER 55 HA SER 55 2.146 13.530 -3.793 401 1HB SER 55 2HB SER 55 1.071 12.453 -1.695 402 2HB SER 55 3HB SER 55 2.705 12.157 -1.137 403 HG SER 55 HG SER 55 1.790 14.780 -1.938 404 H ASN 56 HN ASN 56 4.247 11.188 -1.949 405 HA ASN 56 HA ASN 56 6.507 12.818 -2.398 406 1HB ASN 56 2HB ASN 56 6.245 11.391 -0.360 407 2HB ASN 56 3HB ASN 56 6.263 9.947 -1.354 408 1HD2 ASN 56 1HD ASN 56 8.056 11.732 0.649 409 2HD2 ASN 56 2HD ASN 56 9.662 11.424 0.077 410 H ASN 57 HN ASN 57 5.876 9.302 -3.160 411 HA ASN 57 HA ASN 57 7.746 9.489 -5.326 412 1HB ASN 57 2HB ASN 57 6.058 7.113 -4.382 413 2HB ASN 57 3HB ASN 57 7.411 7.025 -5.491 414 1HD2 ASN 57 1HD ASN 57 6.382 7.062 -2.258 415 2HD2 ASN 57 2HD ASN 57 7.920 7.050 -1.462 416 H GLY 58 HN GLY 58 6.904 8.054 -7.399 417 1HA GLY 58 1HA GLY 58 4.140 8.909 -8.016 418 2HA GLY 58 2HA GLY 58 5.468 9.145 -9.135 419 HA PRO 59 HA PRO 59 4.673 4.471 -8.829 420 1HB PRO 59 2HB PRO 59 2.497 3.572 -7.441 421 2HB PRO 59 3HB PRO 59 4.111 3.633 -6.759 422 1HG PRO 59 2HG PRO 59 1.811 5.418 -6.243 423 2HG PRO 59 3HG PRO 59 3.262 5.193 -5.287 424 1HD PRO 59 2HD PRO 59 2.677 7.399 -7.025 425 2HD PRO 59 3HD PRO 59 4.174 7.115 -6.160 426 H THR 60 HN THR 60 2.806 6.904 -9.776 427 HA THR 60 HA THR 60 0.511 6.084 -10.804 428 HB THR 60 HB THR 60 2.749 7.561 -12.290 429 HG1 THR 60 HG1 THR 60 0.427 8.401 -10.707 430 1HG2 THR 60 1HG THR 60 0.020 6.891 -13.078 431 2HG2 THR 60 2HG THR 60 0.151 8.642 -12.793 432 3HG2 THR 60 3HG THR 60 1.227 7.851 -13.969 433 H LYS 61 HN LYS 61 3.543 5.560 -12.733 434 HA LYS 61 HA LYS 61 2.284 3.779 -14.483 435 1HB LYS 61 2HB LYS 61 4.293 3.708 -15.545 436 2HB LYS 61 3HB LYS 61 4.553 5.152 -14.588 437 1HG LYS 61 2HG LYS 61 5.524 3.562 -12.766 438 2HG LYS 61 3HG LYS 61 5.552 2.334 -14.015 439 1HD LYS 61 2HD LYS 61 6.707 4.613 -15.236 440 2HD LYS 61 3HD LYS 61 7.363 4.607 -13.611 441 1HE LYS 61 2HE LYS 61 8.871 3.095 -14.423 442 2HE LYS 61 3HE LYS 61 7.572 1.928 -14.270 443 1HZ LYS 61 1HZ LYS 61 8.123 1.719 -16.444 444 2HZ LYS 61 2HZ LYS 61 6.951 2.847 -16.593 445 3HZ LYS 61 3HZ LYS 61 8.521 3.289 -16.650 446 H CYS 62 HN CYS 62 2.124 1.532 -14.548 447 HA CYS 62 HA CYS 62 1.696 0.179 -12.271 448 1HB CYS 62 2HB CYS 62 2.748 -0.920 -14.884 449 2HB CYS 62 3HB CYS 62 2.104 -1.905 -13.586 450 H GLY 63 HN GLY 63 4.786 0.296 -14.185 451 1HA GLY 63 1HA GLY 63 6.412 -1.351 -12.807 452 2HA GLY 63 2HA GLY 63 6.932 0.185 -13.473 453 H GLY 64 HN GLY 64 5.011 1.713 -11.651 454 1HA GLY 64 1HA GLY 64 6.751 2.417 -9.636 455 2HA GLY 64 2HA GLY 64 5.016 2.669 -9.616 456 H CYS 65 HN CYS 65 3.598 1.000 -8.688 457 HA CYS 65 HA CYS 65 4.723 -0.119 -6.372 458 1HB CYS 65 2HB CYS 65 2.028 -0.289 -7.692 459 2HB CYS 65 3HB CYS 65 2.407 -1.291 -6.305 460 H HIS 66 HN HIS 66 3.197 -1.624 -9.324 461 HA HIS 66 HA HIS 66 4.158 -4.195 -8.647 462 1HB HIS 66 2HB HIS 66 2.846 -2.991 -11.080 463 2HB HIS 66 3HB HIS 66 3.436 -4.641 -11.096 464 HD1 HIS 66 HD1 HIS 66 1.895 -6.405 -10.171 465 HD2 HIS 66 HD2 HIS 66 0.811 -2.537 -8.964 466 HE1 HIS 66 HE1 HIS 66 -0.330 -6.637 -8.944 467 H ILE 67 HN ILE 67 6.353 -4.475 -8.502 468 HA ILE 67 HA ILE 67 8.130 -3.103 -10.248 469 HB ILE 67 HB ILE 67 8.564 -5.367 -8.298 470 1HG1 ILE 67 2HG ILE 67 7.700 -3.390 -7.195 471 2HG1 ILE 67 3HG ILE 67 9.390 -3.611 -6.793 472 1HG2 ILE 67 1HG ILE 67 10.344 -4.100 -10.233 473 2HG2 ILE 67 2HG ILE 67 10.944 -3.977 -8.562 474 3HG2 ILE 67 3HG ILE 67 10.566 -5.572 -9.255 475 1HD1 ILE 67 1HD ILE 67 9.915 -1.987 -8.742 476 2HD1 ILE 67 2HD ILE 67 8.178 -1.599 -8.723 477 3HD1 ILE 67 3HD ILE 67 9.176 -1.285 -7.283 478 H LYS 68 HN LYS 68 7.111 -3.731 -12.321 479 HA LYS 68 HA LYS 68 7.221 -6.486 -13.069 480 1HB LYS 68 2HB LYS 68 5.492 -4.966 -13.924 481 2HB LYS 68 3HB LYS 68 6.716 -3.978 -14.698 482 1HG LYS 68 2HG LYS 68 6.091 -5.349 -16.482 483 2HG LYS 68 3HG LYS 68 7.449 -6.255 -15.847 484 1HD LYS 68 2HD LYS 68 4.926 -6.945 -14.482 485 2HD LYS 68 3HD LYS 68 4.834 -7.220 -16.211 486 1HE LYS 68 2HE LYS 68 7.394 -8.196 -15.414 487 2HE LYS 68 3HE LYS 68 6.275 -8.751 -14.186 488 1HZ LYS 68 1HZ LYS 68 5.629 -9.032 -17.023 489 2HZ LYS 68 2HZ LYS 68 6.554 -10.141 -16.259 490 3HZ LYS 68 3HZ LYS 68 5.026 -9.865 -15.755 491 HHA HEC 98 HGM HEC 98 -3.936 -5.540 8.313 492 HHB HEC 98 HDM HEC 98 -1.273 -2.904 13.306 493 HHC HEC 98 HAM HEC 98 1.675 1.165 9.451 494 HHD HEC 98 HBM HEC 98 -1.429 -1.296 4.642 495 1HMA HEC 98 1HM HEC 98 -3.431 -5.104 13.851 496 2HMA HEC 98 2HM HEC 98 -2.495 -6.524 13.329 497 3HMA HEC 98 3HM HEC 98 -1.653 -5.057 13.877 498 1HAA HEC 98 1HA HEC 98 -4.022 -7.193 11.641 499 2HAA HEC 98 2HA HEC 98 -4.710 -6.577 10.119 500 1HBA HEC 98 3HB HEC 98 -3.613 -8.412 9.194 501 2HBA HEC 98 4HB HEC 98 -2.199 -7.334 9.251 502 1HMB HEC 98 1HM HEC 98 0.276 0.272 14.583 503 2HMB HEC 98 2HM HEC 98 -0.985 -0.980 14.489 504 3HMB HEC 98 3HM HEC 98 0.722 -1.449 14.669 505 HAB HEC 98 HT2 HEC 98 2.202 1.685 11.322 506 1HBB HEC 98 1HT HEC 98 3.812 0.153 11.901 507 2HBB HEC 98 2HT HEC 98 3.892 1.521 13.038 508 3HBB HEC 98 3HT HEC 98 3.167 -0.021 13.550 509 1HMC HEC 98 1HM HEC 98 2.409 2.330 6.100 510 2HMC HEC 98 2HM HEC 98 1.441 3.117 7.370 511 3HMC HEC 98 3HM HEC 98 2.730 1.973 7.813 512 HAC HEC 98 HT4 HEC 98 0.706 0.850 3.850 513 1HBC HEC 98 1HT HEC 98 -0.655 3.256 4.057 514 2HBC HEC 98 2HT HEC 98 0.168 3.139 5.631 515 3HBC HEC 98 3HT HEC 98 1.113 3.060 4.125 516 1HMD HEC 98 1HM HEC 98 -2.353 -3.617 3.070 517 2HMD HEC 98 2HM HEC 98 -4.090 -3.365 3.360 518 3HMD HEC 98 3HM HEC 98 -2.975 -1.977 3.378 519 1HAD HEC 98 1HA HEC 98 -4.350 -6.160 6.180 520 2HAD HEC 98 2HA HEC 98 -4.899 -5.193 4.790 521 1HBD HEC 98 3HB HEC 98 -3.779 -7.143 3.983 522 2HBD HEC 98 4HB HEC 98 -2.751 -5.727 3.652 523 HHA HEC 128 HGM HEC 128 8.518 2.881 -0.454 524 HHB HEC 128 HDM HEC 128 4.214 -1.028 -2.729 525 HHC HEC 128 HAM HEC 128 -0.212 2.120 0.529 526 HHD HEC 128 HBM HEC 128 4.148 6.192 2.326 527 1HMA HEC 128 1HM HEC 128 7.243 -1.291 -3.846 528 2HMA HEC 128 2HM HEC 128 7.818 -2.071 -2.354 529 3HMA HEC 128 3HM HEC 128 6.094 -2.147 -2.789 530 1HAA HEC 128 1HA HEC 128 9.580 1.222 -0.761 531 2HAA HEC 128 2HA HEC 128 9.520 -0.488 -1.250 532 1HBA HEC 128 3HB HEC 128 8.908 0.550 -3.652 533 2HBA HEC 128 4HB HEC 128 9.712 1.995 -2.997 534 1HMB HEC 128 1HM HEC 128 1.516 -2.418 -2.675 535 2HMB HEC 128 2HM HEC 128 0.654 -1.219 -3.667 536 3HMB HEC 128 3HM HEC 128 2.423 -1.369 -3.790 537 HAB HEC 128 HT2 HEC 128 -1.211 0.785 -0.667 538 1HBB HEC 128 1HT HEC 128 -1.131 -0.774 0.890 539 2HBB HEC 128 2HT HEC 128 -2.096 -1.568 -0.379 540 3HBB HEC 128 3HT HEC 128 -0.381 -1.992 -0.170 541 1HMC HEC 128 1HM HEC 128 -1.114 4.778 2.836 542 2HMC HEC 128 2HM HEC 128 -1.445 4.602 1.097 543 3HMC HEC 128 3HM HEC 128 -1.206 3.157 2.108 544 HAC HEC 128 HT4 HEC 128 2.194 6.986 2.996 545 1HBC HEC 128 1HT HEC 128 -0.789 6.975 3.143 546 2HBC HEC 128 2HT HEC 128 0.054 5.732 4.098 547 3HBC HEC 128 3HT HEC 128 0.418 7.453 4.361 548 1HMD HEC 128 1HM HEC 128 7.600 7.452 2.198 549 2HMD HEC 128 2HM HEC 128 5.846 7.728 2.085 550 3HMD HEC 128 3HM HEC 128 6.519 6.839 3.472 551 1HAD HEC 128 1HA HEC 128 9.087 6.043 2.000 552 2HAD HEC 128 2HA HEC 128 9.393 4.290 1.954 553 1HBD HEC 128 3HB HEC 128 10.531 4.551 0.081 554 2HBD HEC 128 4HB HEC 128 9.073 5.184 -0.722 555 HHA HEC 158 HGM HEC 158 -3.161 -7.161 -6.369 556 HHB HEC 158 HDM HEC 158 -2.620 -5.597 -12.389 557 HHC HEC 158 HAM HEC 158 -0.931 0.242 -10.607 558 HHD HEC 158 HBM HEC 158 -1.078 -1.634 -4.668 559 1HMA HEC 158 1HM HEC 158 -4.906 -8.409 -11.247 560 2HMA HEC 158 2HM HEC 158 -4.112 -7.245 -12.335 561 3HMA HEC 158 3HM HEC 158 -3.208 -8.649 -11.720 562 1HAA HEC 158 1HA HEC 158 -4.195 -8.504 -7.220 563 2HAA HEC 158 2HA HEC 158 -5.369 -8.675 -8.545 564 1HBA HEC 158 3HB HEC 158 -2.690 -9.525 -9.420 565 2HBA HEC 158 4HB HEC 158 -3.192 -10.430 -7.973 566 1HMB HEC 158 1HM HEC 158 -0.718 -4.405 -14.162 567 2HMB HEC 158 2HM HEC 158 -2.494 -4.402 -14.284 568 3HMB HEC 158 3HM HEC 158 -1.557 -3.014 -14.888 569 HAB HEC 158 HT2 HEC 158 -0.117 -0.282 -13.023 570 1HBB HEC 158 1HT HEC 158 -1.307 1.341 -12.348 571 2HBB HEC 158 2HT HEC 158 -2.238 1.143 -13.852 572 3HBB HEC 158 3HT HEC 158 -2.812 0.392 -12.344 573 1HMC HEC 158 1HM HEC 158 0.109 1.748 -9.759 574 2HMC HEC 158 2HM HEC 158 -1.079 2.541 -8.699 575 3HMC HEC 158 3HM HEC 158 0.601 2.335 -8.154 576 HAC HEC 158 HT4 HEC 158 0.857 0.108 -5.142 577 1HBC HEC 158 1HT HEC 158 -1.484 2.053 -4.954 578 2HBC HEC 158 2HT HEC 158 -1.450 0.423 -4.239 579 3HBC HEC 158 3HT HEC 158 -0.314 1.669 -3.670 580 1HMD HEC 158 1HM HEC 158 -2.305 -2.748 -2.517 581 2HMD HEC 158 2HM HEC 158 -1.492 -4.289 -2.158 582 3HMD HEC 158 3HM HEC 158 -0.564 -2.931 -2.839 583 1HAD HEC 158 1HA HEC 158 -2.945 -5.718 -2.594 584 2HAD HEC 158 2HA HEC 158 -4.101 -6.301 -3.815 585 1HBD HEC 158 3HB HEC 158 -1.436 -7.366 -4.254 586 2HBD HEC 158 4HB HEC 158 -2.057 -7.745 -2.629 Start of MODEL 33 1 H ALA 1 HN ALA 1 3.921 -6.448 10.739 2 HA ALA 1 HA ALA 1 4.981 -8.914 11.810 3 1HB ALA 1 1HB ALA 1 3.769 -8.643 9.072 4 2HB ALA 1 2HB ALA 1 5.233 -9.636 9.263 5 3HB ALA 1 3HB ALA 1 3.764 -10.030 10.186 6 H ASP 2 HN ASP 2 5.324 -6.787 8.876 7 HA ASP 2 HA ASP 2 7.366 -5.280 9.703 8 1HB ASP 2 2HB ASP 2 8.274 -7.987 9.484 9 2HB ASP 2 3HB ASP 2 8.962 -7.129 8.121 10 H VAL 3 HN VAL 3 6.528 -7.622 7.053 11 HA VAL 3 HA VAL 3 6.270 -5.371 5.229 12 HB VAL 3 HB VAL 3 8.273 -7.572 5.044 13 1HG1 VAL 3 1HG VAL 3 8.365 -7.439 2.612 14 2HG1 VAL 3 2HG VAL 3 6.755 -7.989 3.134 15 3HG1 VAL 3 3HG VAL 3 6.991 -6.309 2.597 16 1HG2 VAL 3 1HG VAL 3 9.266 -5.485 3.638 17 2HG2 VAL 3 2HG VAL 3 8.155 -4.621 4.727 18 3HG2 VAL 3 3HG VAL 3 9.436 -5.656 5.402 19 H VAL 4 HN VAL 4 5.128 -6.085 3.170 20 HA VAL 4 HA VAL 4 3.525 -8.490 3.636 21 HB VAL 4 HB VAL 4 2.590 -5.670 3.206 22 1HG1 VAL 4 1HG VAL 4 0.296 -6.725 2.755 23 2HG1 VAL 4 2HG VAL 4 1.469 -6.722 1.417 24 3HG1 VAL 4 3HG VAL 4 1.189 -8.211 2.353 25 1HG2 VAL 4 1HG VAL 4 1.750 -7.921 5.063 26 2HG2 VAL 4 2HG VAL 4 2.647 -6.445 5.497 27 3HG2 VAL 4 3HG VAL 4 0.952 -6.333 4.965 28 H THR 5 HN THR 5 4.271 -9.778 2.006 29 HA THR 5 HA THR 5 4.277 -8.572 -0.682 30 HB THR 5 HB THR 5 6.162 -10.723 0.416 31 HG1 THR 5 HG1 THR 5 6.276 -7.831 -0.050 32 1HG2 THR 5 1HG THR 5 6.271 -8.971 -2.096 33 2HG2 THR 5 2HG THR 5 7.501 -10.156 -1.595 34 3HG2 THR 5 3HG THR 5 5.883 -10.709 -2.090 35 H TYR 6 HN TYR 6 2.687 -9.341 -1.907 36 HA TYR 6 HA TYR 6 1.806 -12.092 -1.348 37 1HB TYR 6 2HB TYR 6 0.460 -9.588 -2.542 38 2HB TYR 6 3HB TYR 6 -0.335 -11.147 -2.453 39 HD1 TYR 6 HD1 TYR 6 0.057 -12.188 0.149 40 HD2 TYR 6 HD2 TYR 6 -0.375 -8.088 -0.993 41 HE1 TYR 6 HE1 TYR 6 -0.785 -11.619 2.480 42 HE2 TYR 6 HE2 TYR 6 -1.216 -7.533 1.341 43 HH TYR 6 HH TYR 6 -0.787 -9.492 3.922 44 H GLU 7 HN GLU 7 1.864 -13.592 -2.981 45 HA GLU 7 HA GLU 7 3.252 -12.845 -5.328 46 1HB GLU 7 2HB GLU 7 1.948 -15.447 -4.431 47 2HB GLU 7 3HB GLU 7 2.820 -15.294 -5.943 48 1HG GLU 7 2HG GLU 7 4.845 -15.379 -4.903 49 2HG GLU 7 3HG GLU 7 4.374 -14.180 -3.714 50 H ASN 8 HN ASN 8 2.372 -11.995 -7.162 51 HA ASN 8 HA ASN 8 -0.494 -12.333 -7.480 52 1HB ASN 8 2HB ASN 8 1.525 -10.285 -8.473 53 2HB ASN 8 3HB ASN 8 -0.008 -10.458 -9.302 54 1HD2 ASN 8 1HD ASN 8 1.407 -8.494 -7.340 55 2HD2 ASN 8 2HD ASN 8 0.161 -8.048 -6.222 56 H LYS 9 HN LYS 9 -0.857 -11.962 -10.196 57 HA LYS 9 HA LYS 9 0.200 -14.391 -11.275 58 1HB LYS 9 2HB LYS 9 -2.096 -12.820 -11.648 59 2HB LYS 9 3HB LYS 9 -1.223 -12.700 -13.163 60 1HG LYS 9 2HG LYS 9 -2.088 -14.734 -13.689 61 2HG LYS 9 3HG LYS 9 -0.970 -15.413 -12.523 62 1HD LYS 9 2HD LYS 9 -2.604 -15.534 -10.816 63 2HD LYS 9 3HD LYS 9 -3.609 -14.298 -11.545 64 1HE LYS 9 2HE LYS 9 -4.859 -16.001 -12.393 65 2HE LYS 9 3HE LYS 9 -3.551 -16.262 -13.530 66 1HZ LYS 9 1HZ LYS 9 -2.841 -18.043 -12.401 67 2HZ LYS 9 2HZ LYS 9 -3.205 -17.442 -10.928 68 3HZ LYS 9 3HZ LYS 9 -4.379 -18.098 -11.853 69 H LYS 10 HN LYS 10 0.170 -11.004 -12.596 70 HA LYS 10 HA LYS 10 2.724 -11.644 -13.867 71 1HB LYS 10 2HB LYS 10 0.613 -9.552 -14.445 72 2HB LYS 10 3HB LYS 10 2.189 -9.558 -15.213 73 1HG LYS 10 2HG LYS 10 0.432 -12.041 -15.230 74 2HG LYS 10 3HG LYS 10 0.212 -10.776 -16.422 75 1HD LYS 10 2HD LYS 10 1.949 -11.587 -17.630 76 2HD LYS 10 3HD LYS 10 3.033 -11.314 -16.280 77 1HE LYS 10 2HE LYS 10 3.278 -13.583 -16.242 78 2HE LYS 10 3HE LYS 10 1.714 -13.606 -15.453 79 1HZ LYS 10 1HZ LYS 10 0.661 -14.015 -17.473 80 2HZ LYS 10 2HZ LYS 10 1.963 -13.611 -18.372 81 3HZ LYS 10 3HZ LYS 10 1.969 -14.994 -17.502 82 H GLY 11 HN GLY 11 3.305 -11.465 -11.330 83 1HA GLY 11 1HA GLY 11 5.193 -9.806 -10.788 84 2HA GLY 11 2HA GLY 11 3.881 -8.647 -10.695 85 H ASN 12 HN ASN 12 4.380 -8.305 -8.414 86 HA ASN 12 HA ASN 12 2.774 -9.829 -6.757 87 1HB ASN 12 2HB ASN 12 4.640 -10.730 -5.234 88 2HB ASN 12 3HB ASN 12 4.452 -11.575 -6.758 89 1HD2 ASN 12 1HD ASN 12 6.054 -11.616 -8.210 90 2HD2 ASN 12 2HD ASN 12 7.597 -10.851 -8.030 91 H VAL 13 HN VAL 13 2.116 -8.125 -5.439 92 HA VAL 13 HA VAL 13 3.426 -5.721 -5.222 93 HB VAL 13 HB VAL 13 1.051 -6.209 -4.714 94 1HG1 VAL 13 1HG VAL 13 1.835 -7.031 -1.931 95 2HG1 VAL 13 2HG VAL 13 0.318 -7.315 -2.817 96 3HG1 VAL 13 3HG VAL 13 1.776 -8.252 -3.225 97 1HG2 VAL 13 1HG VAL 13 2.833 -4.414 -3.341 98 2HG2 VAL 13 2HG VAL 13 1.137 -4.168 -3.823 99 3HG2 VAL 13 3HG VAL 13 1.517 -4.897 -2.245 100 H THR 14 HN THR 14 4.764 -4.747 -3.619 101 HA THR 14 HA THR 14 6.109 -6.701 -1.871 102 HB THR 14 HB THR 14 7.330 -4.274 -3.284 103 HG1 THR 14 HG1 THR 14 6.555 -6.110 -4.665 104 1HG2 THR 14 1HG THR 14 9.467 -5.431 -2.764 105 2HG2 THR 14 2HG THR 14 8.582 -5.092 -1.258 106 3HG2 THR 14 3HG THR 14 8.573 -6.735 -1.945 107 H PHE 15 HN PHE 15 3.704 -4.984 -1.372 108 HA PHE 15 HA PHE 15 4.111 -2.691 -0.070 109 1HB PHE 15 2HB PHE 15 2.030 -4.297 -0.360 110 2HB PHE 15 3HB PHE 15 2.556 -5.046 1.135 111 HD1 PHE 15 HD1 PHE 15 0.725 -4.495 2.516 112 HD2 PHE 15 HD2 PHE 15 2.726 -1.426 0.374 113 HE1 PHE 15 HE1 PHE 15 -0.531 -2.760 3.826 114 HE2 PHE 15 HE2 PHE 15 1.471 0.308 1.685 115 HZ PHE 15 HZ PHE 15 -0.142 -0.380 3.396 116 H ASP 16 HN ASP 16 4.174 -2.209 2.354 117 HA ASP 16 HA ASP 16 5.857 -4.134 3.729 118 1HB ASP 16 2HB ASP 16 6.376 -1.159 3.984 119 2HB ASP 16 3HB ASP 16 7.449 -2.487 4.378 120 H HIS 17 HN HIS 17 5.924 -3.562 6.189 121 HA HIS 17 HA HIS 17 3.450 -2.181 6.933 122 1HB HIS 17 2HB HIS 17 3.933 -4.880 7.207 123 2HB HIS 17 3HB HIS 17 4.405 -4.266 8.779 124 HD1 HIS 17 HD1 HIS 17 2.324 -5.441 9.867 125 HD2 HIS 17 HD2 HIS 17 1.385 -2.492 7.035 126 HE1 HIS 17 HE1 HIS 17 -0.161 -4.942 10.152 127 H LYS 18 HN LYS 18 6.749 -3.237 7.996 128 HA LYS 18 HA LYS 18 6.728 -1.136 10.002 129 1HB LYS 18 2HB LYS 18 7.520 -3.446 10.529 130 2HB LYS 18 3HB LYS 18 8.836 -3.228 9.394 131 1HG LYS 18 2HG LYS 18 9.898 -2.549 11.350 132 2HG LYS 18 3HG LYS 18 9.283 -1.003 10.801 133 1HD LYS 18 2HD LYS 18 7.326 -2.533 12.423 134 2HD LYS 18 3HD LYS 18 8.792 -2.141 13.297 135 1HE LYS 18 2HE LYS 18 7.937 0.180 11.757 136 2HE LYS 18 3HE LYS 18 6.594 -0.408 12.717 137 1HZ LYS 18 1HZ LYS 18 9.213 0.487 13.640 138 2HZ LYS 18 2HZ LYS 18 7.734 0.971 14.134 139 3HZ LYS 18 3HZ LYS 18 8.305 -0.493 14.578 140 H ALA 19 HN ALA 19 8.346 -2.078 6.931 141 HA ALA 19 HA ALA 19 10.256 -0.054 6.919 142 1HB ALA 19 1HB ALA 19 9.393 -0.605 4.252 143 2HB ALA 19 2HB ALA 19 10.808 -1.262 5.108 144 3HB ALA 19 3HB ALA 19 9.248 -2.116 5.183 145 H HIS 20 HN HIS 20 6.776 -0.084 6.157 146 HA HIS 20 HA HIS 20 6.910 2.522 4.958 147 1HB HIS 20 2HB HIS 20 4.876 0.402 5.341 148 2HB HIS 20 3HB HIS 20 4.259 2.041 5.341 149 HD1 HIS 20 HD1 HIS 20 7.025 0.513 3.161 150 HD2 HIS 20 HD2 HIS 20 3.280 2.370 2.811 151 HE1 HIS 20 HE1 HIS 20 6.597 0.795 0.662 152 H ALA 21 HN ALA 21 5.212 1.108 7.852 153 HA ALA 21 HA ALA 21 4.356 3.403 8.997 154 1HB ALA 21 1HB ALA 21 4.257 2.161 11.041 155 2HB ALA 21 2HB ALA 21 4.036 0.978 9.729 156 3HB ALA 21 3HB ALA 21 5.609 1.113 10.550 157 H GLU 22 HN GLU 22 7.677 2.234 8.663 158 HA GLU 22 HA GLU 22 8.987 3.418 10.650 159 1HB GLU 22 2HB GLU 22 9.625 3.013 7.739 160 2HB GLU 22 3HB GLU 22 10.738 3.979 8.685 161 1HG GLU 22 2HG GLU 22 9.908 1.508 10.083 162 2HG GLU 22 3HG GLU 22 10.697 1.182 8.552 163 H LYS 23 HN LYS 23 7.841 5.054 7.627 164 HA LYS 23 HA LYS 23 8.505 7.615 8.883 165 1HB LYS 23 2HB LYS 23 8.007 6.863 5.989 166 2HB LYS 23 3HB LYS 23 8.224 8.508 6.553 167 1HG LYS 23 2HG LYS 23 10.278 6.386 7.253 168 2HG LYS 23 3HG LYS 23 10.311 7.144 5.674 169 1HD LYS 23 2HD LYS 23 10.112 9.393 7.159 170 2HD LYS 23 3HD LYS 23 10.831 8.363 8.380 171 1HE LYS 23 2HE LYS 23 12.853 8.195 7.260 172 2HE LYS 23 3HE LYS 23 12.105 8.224 5.675 173 1HZ LYS 23 1HZ LYS 23 12.783 10.465 7.401 174 2HZ LYS 23 2HZ LYS 23 13.075 10.266 5.806 175 3HZ LYS 23 3HZ LYS 23 11.571 10.639 6.320 176 H LEU 24 HN LEU 24 5.893 5.510 7.761 177 HA LEU 24 HA LEU 24 3.955 7.651 8.013 178 1HB LEU 24 2HB LEU 24 3.608 4.729 7.329 179 2HB LEU 24 3HB LEU 24 2.358 5.955 7.268 180 HG LEU 24 HG LEU 24 4.047 7.145 5.608 181 1HD1 LEU 24 1HD LEU 24 5.158 5.383 4.176 182 2HD1 LEU 24 2HD LEU 24 5.907 5.685 5.763 183 3HD1 LEU 24 3HD LEU 24 4.893 4.243 5.517 184 1HD2 LEU 24 1HD LEU 24 2.131 6.794 4.509 185 2HD2 LEU 24 2HD LEU 24 2.943 5.355 3.846 186 3HD2 LEU 24 3HD LEU 24 1.875 5.201 5.262 187 H GLY 25 HN GLY 25 2.703 4.619 8.995 188 1HA GLY 25 1HA GLY 25 3.314 4.194 11.572 189 2HA GLY 25 2HA GLY 25 2.308 5.625 11.686 190 H CYS 26 HN CYS 26 1.259 3.528 12.965 191 HA CYS 26 HA CYS 26 -0.333 1.935 11.187 192 1HB CYS 26 2HB CYS 26 -0.947 1.946 14.078 193 2HB CYS 26 3HB CYS 26 -0.766 0.607 12.963 194 H ASP 27 HN ASP 27 -0.419 5.114 11.973 195 HA ASP 27 HA ASP 27 -3.298 5.142 12.393 196 1HB ASP 27 2HB ASP 27 -1.080 6.740 13.396 197 2HB ASP 27 3HB ASP 27 -2.197 7.783 12.540 198 H ALA 28 HN ALA 28 -1.330 4.893 9.870 199 HA ALA 28 HA ALA 28 -2.126 7.250 8.381 200 1HB ALA 28 1HB ALA 28 0.127 5.637 8.410 201 2HB ALA 28 2HB ALA 28 -0.738 5.075 6.960 202 3HB ALA 28 3HB ALA 28 -0.300 6.793 7.126 203 H CYS 29 HN CYS 29 -2.376 3.635 8.040 204 HA CYS 29 HA CYS 29 -4.550 4.040 6.176 205 1HB CYS 29 2HB CYS 29 -3.529 1.365 7.090 206 2HB CYS 29 3HB CYS 29 -4.323 1.790 5.585 207 H HIS 30 HN HIS 30 -3.830 3.049 9.520 208 HA HIS 30 HA HIS 30 -6.634 2.330 9.891 209 1HB HIS 30 2HB HIS 30 -4.798 1.956 12.155 210 2HB HIS 30 3HB HIS 30 -5.985 0.864 11.467 211 HD1 HIS 30 HD1 HIS 30 -2.516 2.209 10.502 212 HD2 HIS 30 HD2 HIS 30 -4.846 -1.266 10.202 213 HE1 HIS 30 HE1 HIS 30 -1.031 0.445 9.411 214 H GLU 31 HN GLU 31 -6.748 2.861 12.711 215 HA GLU 31 HA GLU 31 -5.890 5.371 13.403 216 1HB GLU 31 2HB GLU 31 -7.961 6.727 13.145 217 2HB GLU 31 3HB GLU 31 -7.284 6.259 11.598 218 1HG GLU 31 2HG GLU 31 -9.003 4.127 12.207 219 2HG GLU 31 3HG GLU 31 -9.876 5.523 12.808 220 H GLY 32 HN GLY 32 -5.599 4.094 15.331 221 1HA GLY 32 1HA GLY 32 -6.267 3.738 17.486 222 2HA GLY 32 2HA GLY 32 -7.925 4.104 17.052 223 H THR 33 HN THR 33 -5.431 1.586 17.248 224 HA THR 33 HA THR 33 -5.548 -0.634 17.272 225 HB THR 33 HB THR 33 -8.550 -0.182 17.684 226 HG1 THR 33 HG1 THR 33 -7.368 0.975 19.273 227 1HG2 THR 33 1HG THR 33 -7.007 -2.285 19.146 228 2HG2 THR 33 2HG THR 33 -8.655 -2.355 18.476 229 3HG2 THR 33 3HG THR 33 -7.249 -2.601 17.412 230 HA PRO 34 HA PRO 34 -6.434 -1.152 13.012 231 1HB PRO 34 2HB PRO 34 -4.404 -2.908 12.497 232 2HB PRO 34 3HB PRO 34 -4.216 -1.169 12.395 233 1HG PRO 34 2HG PRO 34 -3.255 -3.017 14.492 234 2HG PRO 34 3HG PRO 34 -2.731 -1.381 14.148 235 1HD PRO 34 2HD PRO 34 -4.447 -2.216 16.288 236 2HD PRO 34 3HD PRO 34 -4.016 -0.570 15.872 237 H ALA 35 HN ALA 35 -6.166 -3.493 11.630 238 HA ALA 35 HA ALA 35 -6.953 -5.758 12.967 239 1HB ALA 35 1HB ALA 35 -9.069 -3.765 12.794 240 2HB ALA 35 2HB ALA 35 -9.514 -5.247 11.916 241 3HB ALA 35 3HB ALA 35 -9.059 -5.333 13.635 242 H LYS 36 HN LYS 36 -7.904 -3.731 10.106 243 HA LYS 36 HA LYS 36 -6.440 -5.190 8.283 244 1HB LYS 36 2HB LYS 36 -7.982 -6.668 7.230 245 2HB LYS 36 3HB LYS 36 -7.973 -7.057 8.938 246 1HG LYS 36 2HG LYS 36 -10.210 -6.713 9.028 247 2HG LYS 36 3HG LYS 36 -9.968 -5.034 8.589 248 1HD LYS 36 2HD LYS 36 -11.377 -5.806 6.864 249 2HD LYS 36 3HD LYS 36 -9.791 -5.915 6.125 250 1HE LYS 36 2HE LYS 36 -10.140 -8.126 5.764 251 2HE LYS 36 3HE LYS 36 -10.159 -8.385 7.498 252 1HZ LYS 36 1HZ LYS 36 -12.214 -8.916 6.012 253 2HZ LYS 36 2HZ LYS 36 -12.401 -8.373 7.541 254 3HZ LYS 36 3HZ LYS 36 -12.572 -7.346 6.283 255 H ILE 37 HN ILE 37 -6.976 -4.537 6.008 256 HA ILE 37 HA ILE 37 -8.667 -2.139 5.988 257 HB ILE 37 HB ILE 37 -6.041 -2.361 4.530 258 1HG1 ILE 37 2HG ILE 37 -6.606 -1.385 7.324 259 2HG1 ILE 37 3HG ILE 37 -5.344 -2.466 6.768 260 1HG2 ILE 37 1HG ILE 37 -8.066 -0.717 3.981 261 2HG2 ILE 37 2HG ILE 37 -7.312 0.224 5.290 262 3HG2 ILE 37 3HG ILE 37 -6.364 -0.216 3.849 263 1HD1 ILE 37 1HD ILE 37 -4.110 -0.510 6.982 264 2HD1 ILE 37 2HD ILE 37 -4.641 -0.334 5.291 265 3HD1 ILE 37 3HD ILE 37 -5.498 0.533 6.588 266 H ALA 38 HN ALA 38 -8.345 -5.254 4.994 267 HA ALA 38 HA ALA 38 -8.896 -6.424 3.173 268 1HB ALA 38 1HB ALA 38 -11.121 -5.000 2.195 269 2HB ALA 38 2HB ALA 38 -11.129 -6.293 3.419 270 3HB ALA 38 3HB ALA 38 -11.028 -4.589 3.924 271 H ILE 39 HN ILE 39 -7.142 -6.192 1.754 272 HA ILE 39 HA ILE 39 -7.352 -3.966 -0.140 273 HB ILE 39 HB ILE 39 -5.046 -5.663 0.788 274 1HG1 ILE 39 2HG ILE 39 -5.868 -3.603 2.075 275 2HG1 ILE 39 3HG ILE 39 -4.161 -3.706 1.693 276 1HG2 ILE 39 1HG ILE 39 -5.436 -4.472 -1.824 277 2HG2 ILE 39 2HG ILE 39 -4.045 -3.745 -0.983 278 3HG2 ILE 39 3HG ILE 39 -4.118 -5.508 -1.224 279 1HD1 ILE 39 1HD ILE 39 -4.250 -1.985 0.138 280 2HD1 ILE 39 2HD ILE 39 -5.930 -2.351 -0.326 281 3HD1 ILE 39 3HD ILE 39 -5.595 -1.485 1.193 282 H ASP 40 HN ASP 40 -7.904 -4.347 -2.232 283 HA ASP 40 HA ASP 40 -7.461 -6.976 -3.290 284 1HB ASP 40 2HB ASP 40 -10.128 -5.932 -2.510 285 2HB ASP 40 3HB ASP 40 -10.063 -6.481 -4.173 286 H LYS 41 HN LYS 41 -8.032 -6.945 -5.748 287 HA LYS 41 HA LYS 41 -7.038 -4.540 -6.870 288 1HB LYS 41 2HB LYS 41 -8.256 -6.943 -8.261 289 2HB LYS 41 3HB LYS 41 -7.244 -5.712 -8.990 290 1HG LYS 41 2HG LYS 41 -5.455 -7.008 -8.462 291 2HG LYS 41 3HG LYS 41 -5.726 -6.570 -6.787 292 1HD LYS 41 2HD LYS 41 -7.618 -8.631 -7.382 293 2HD LYS 41 3HD LYS 41 -6.097 -9.152 -8.080 294 1HE LYS 41 2HE LYS 41 -5.074 -8.399 -5.748 295 2HE LYS 41 3HE LYS 41 -6.728 -8.527 -5.182 296 1HZ LYS 41 1HZ LYS 41 -6.045 -10.767 -6.731 297 2HZ LYS 41 2HZ LYS 41 -4.955 -10.571 -5.531 298 3HZ LYS 41 3HZ LYS 41 -6.544 -10.707 -5.178 299 H LYS 42 HN LYS 42 -8.962 -3.416 -5.537 300 HA LYS 42 HA LYS 42 -10.840 -2.648 -7.589 301 1HB LYS 42 2HB LYS 42 -11.647 -4.644 -5.866 302 2HB LYS 42 3HB LYS 42 -12.238 -3.205 -5.061 303 1HG LYS 42 2HG LYS 42 -13.595 -2.565 -6.900 304 2HG LYS 42 3HG LYS 42 -12.676 -3.525 -8.042 305 1HD LYS 42 2HD LYS 42 -14.230 -5.159 -7.797 306 2HD LYS 42 3HD LYS 42 -13.610 -5.421 -6.178 307 1HE LYS 42 2HE LYS 42 -15.891 -5.009 -5.764 308 2HE LYS 42 3HE LYS 42 -15.183 -3.431 -5.485 309 1HZ LYS 42 1HZ LYS 42 -16.547 -4.341 -7.916 310 2HZ LYS 42 2HZ LYS 42 -17.020 -3.157 -6.896 311 3HZ LYS 42 3HZ LYS 42 -15.707 -2.943 -7.842 312 H SER 43 HN SER 43 -9.844 -2.383 -4.115 313 HA SER 43 HA SER 43 -10.295 0.480 -4.387 314 1HB SER 43 2HB SER 43 -11.121 -1.310 -2.401 315 2HB SER 43 3HB SER 43 -9.731 -0.531 -1.672 316 HG SER 43 HG SER 43 -10.815 1.558 -2.442 317 H ALA 44 HN ALA 44 -7.963 -2.092 -3.509 318 HA ALA 44 HA ALA 44 -5.948 -0.512 -2.452 319 1HB ALA 44 1HB ALA 44 -5.014 -2.751 -4.106 320 2HB ALA 44 2HB ALA 44 -4.897 -2.508 -2.346 321 3HB ALA 44 3HB ALA 44 -6.378 -3.198 -3.052 322 H HIS 45 HN HIS 45 -7.260 -0.654 -5.664 323 HA HIS 45 HA HIS 45 -4.826 0.531 -6.753 324 1HB HIS 45 2HB HIS 45 -7.165 -0.927 -7.926 325 2HB HIS 45 3HB HIS 45 -6.319 0.237 -8.926 326 HD1 HIS 45 HD1 HIS 45 -6.349 -3.217 -8.462 327 HD2 HIS 45 HD2 HIS 45 -3.241 -0.399 -8.500 328 HE1 HIS 45 HE1 HIS 45 -4.212 -4.515 -8.969 329 H LYS 46 HN LYS 46 -7.419 1.544 -5.046 330 HA LYS 46 HA LYS 46 -7.799 3.929 -6.718 331 1HB LYS 46 2HB LYS 46 -9.688 2.185 -5.545 332 2HB LYS 46 3HB LYS 46 -9.742 3.656 -4.595 333 1HG LYS 46 2HG LYS 46 -10.032 5.011 -6.657 334 2HG LYS 46 3HG LYS 46 -9.900 3.569 -7.645 335 1HD LYS 46 2HD LYS 46 -11.926 2.624 -6.432 336 2HD LYS 46 3HD LYS 46 -12.089 4.158 -5.599 337 1HE LYS 46 2HE LYS 46 -13.510 4.557 -7.395 338 2HE LYS 46 3HE LYS 46 -12.015 5.157 -8.083 339 1HZ LYS 46 1HZ LYS 46 -11.720 2.799 -8.902 340 2HZ LYS 46 2HZ LYS 46 -13.301 2.577 -8.559 341 3HZ LYS 46 3HZ LYS 46 -12.854 3.707 -9.649 342 H ASP 47 HN ASP 47 -8.914 5.521 -4.575 343 HA ASP 47 HA ASP 47 -6.798 6.852 -3.713 344 1HB ASP 47 2HB ASP 47 -9.216 7.458 -3.349 345 2HB ASP 47 3HB ASP 47 -9.294 6.291 -2.042 346 H ALA 48 HN ALA 48 -8.026 3.744 -2.522 347 HA ALA 48 HA ALA 48 -7.139 3.528 0.003 348 1HB ALA 48 1HB ALA 48 -8.207 1.813 -1.664 349 2HB ALA 48 2HB ALA 48 -6.520 1.347 -1.994 350 3HB ALA 48 3HB ALA 48 -7.174 1.212 -0.344 351 H CYS 49 HN CYS 49 -5.093 2.828 -2.927 352 HA CYS 49 HA CYS 49 -2.787 3.475 -1.237 353 1HB CYS 49 2HB CYS 49 -2.988 1.482 -3.503 354 2HB CYS 49 3HB CYS 49 -1.482 1.979 -2.756 355 H LYS 50 HN LYS 50 -4.081 3.358 -4.637 356 HA LYS 50 HA LYS 50 -2.327 4.740 -6.036 357 1HB LYS 50 2HB LYS 50 -5.185 4.358 -6.121 358 2HB LYS 50 3HB LYS 50 -4.796 5.972 -6.677 359 1HG LYS 50 2HG LYS 50 -3.198 3.592 -7.677 360 2HG LYS 50 3HG LYS 50 -4.751 3.971 -8.395 361 1HD LYS 50 2HD LYS 50 -3.261 6.433 -8.184 362 2HD LYS 50 3HD LYS 50 -2.199 5.229 -8.883 363 1HE LYS 50 2HE LYS 50 -4.732 4.864 -10.153 364 2HE LYS 50 3HE LYS 50 -4.466 6.595 -10.105 365 1HZ LYS 50 1HZ LYS 50 -2.143 5.967 -10.927 366 2HZ LYS 50 2HZ LYS 50 -2.822 4.548 -11.365 367 3HZ LYS 50 3HZ LYS 50 -3.380 5.948 -11.992 368 H THR 51 HN THR 51 -5.028 6.683 -4.609 369 HA THR 51 HA THR 51 -4.030 9.129 -4.788 370 HB THR 51 HB THR 51 -5.527 7.734 -2.531 371 HG1 THR 51 HG1 THR 51 -6.219 8.361 -4.888 372 1HG2 THR 51 1HG THR 51 -4.501 9.686 -1.437 373 2HG2 THR 51 2HG THR 51 -4.879 10.711 -2.842 374 3HG2 THR 51 3HG THR 51 -6.193 10.083 -1.820 375 H CYS 52 HN CYS 52 -3.304 7.134 -1.839 376 HA CYS 52 HA CYS 52 -1.565 8.733 -0.630 377 1HB CYS 52 2HB CYS 52 -2.219 6.042 -0.482 378 2HB CYS 52 3HB CYS 52 -0.488 6.020 -0.758 379 H HIS 53 HN HIS 53 -0.234 6.053 -2.687 380 HA HIS 53 HA HIS 53 2.234 7.041 -3.046 381 1HB HIS 53 2HB HIS 53 0.444 5.285 -4.657 382 2HB HIS 53 3HB HIS 53 1.893 5.875 -5.447 383 HD1 HIS 53 HD1 HIS 53 3.238 3.717 -5.468 384 HD2 HIS 53 HD2 HIS 53 1.835 4.736 -1.648 385 HE1 HIS 53 HE1 HIS 53 4.365 2.108 -3.839 386 H LYS 54 HN LYS 54 -0.745 7.958 -4.841 387 HA LYS 54 HA LYS 54 0.659 9.641 -6.654 388 1HB LYS 54 2HB LYS 54 -2.157 8.895 -6.086 389 2HB LYS 54 3HB LYS 54 -1.919 10.480 -6.794 390 1HG LYS 54 2HG LYS 54 -0.405 9.337 -8.543 391 2HG LYS 54 3HG LYS 54 -0.976 7.805 -7.913 392 1HD LYS 54 2HD LYS 54 -2.757 7.985 -9.305 393 2HD LYS 54 3HD LYS 54 -3.340 9.291 -8.291 394 1HE LYS 54 2HE LYS 54 -1.251 10.290 -10.065 395 2HE LYS 54 3HE LYS 54 -2.470 9.455 -11.006 396 1HZ LYS 54 1HZ LYS 54 -3.433 11.236 -8.949 397 2HZ LYS 54 2HZ LYS 54 -2.734 11.937 -10.248 398 3HZ LYS 54 3HZ LYS 54 -4.024 10.956 -10.446 399 H SER 55 HN SER 55 2.010 10.741 -4.973 400 HA SER 55 HA SER 55 1.008 13.280 -4.521 401 1HB SER 55 2HB SER 55 -0.328 12.339 -2.725 402 2HB SER 55 3HB SER 55 1.040 11.450 -2.087 403 HG SER 55 HG SER 55 1.181 14.311 -2.301 404 H ASN 56 HN ASN 56 3.114 10.892 -2.740 405 HA ASN 56 HA ASN 56 5.281 12.798 -3.072 406 1HB ASN 56 2HB ASN 56 4.409 11.354 -0.828 407 2HB ASN 56 3HB ASN 56 5.782 10.413 -1.373 408 1HD2 ASN 56 1HD ASN 56 5.340 12.154 0.984 409 2HD2 ASN 56 2HD ASN 56 6.638 13.300 1.002 410 H ASN 57 HN ASN 57 4.633 9.204 -2.978 411 HA ASN 57 HA ASN 57 6.879 8.228 -3.949 412 1HB ASN 57 2HB ASN 57 3.984 7.506 -4.412 413 2HB ASN 57 3HB ASN 57 5.177 6.664 -5.381 414 1HD2 ASN 57 1HD ASN 57 7.129 5.867 -4.120 415 2HD2 ASN 57 2HD ASN 57 6.827 5.073 -2.612 416 H GLY 58 HN GLY 58 8.116 8.583 -5.802 417 1HA GLY 58 1HA GLY 58 7.416 10.395 -7.788 418 2HA GLY 58 2HA GLY 58 8.699 9.205 -7.880 419 HA PRO 59 HA PRO 59 6.319 6.781 -10.587 420 1HB PRO 59 2HB PRO 59 6.679 4.188 -9.803 421 2HB PRO 59 3HB PRO 59 7.880 5.091 -10.704 422 1HG PRO 59 2HG PRO 59 7.870 4.370 -7.837 423 2HG PRO 59 3HG PRO 59 9.216 4.883 -8.835 424 1HD PRO 59 2HD PRO 59 7.803 6.473 -6.912 425 2HD PRO 59 3HD PRO 59 9.070 7.017 -7.991 426 H THR 60 HN THR 60 4.234 7.530 -10.408 427 HA THR 60 HA THR 60 2.618 6.089 -8.434 428 HB THR 60 HB THR 60 1.071 7.959 -8.712 429 HG1 THR 60 HG1 THR 60 1.269 9.229 -10.585 430 1HG2 THR 60 1HG THR 60 3.324 9.758 -9.087 431 2HG2 THR 60 2HG THR 60 2.422 9.418 -7.590 432 3HG2 THR 60 3HG THR 60 3.824 8.415 -8.032 433 H LYS 61 HN LYS 61 3.651 4.716 -10.811 434 HA LYS 61 HA LYS 61 1.110 3.733 -11.716 435 1HB LYS 61 2HB LYS 61 1.258 4.237 -13.987 436 2HB LYS 61 3HB LYS 61 1.695 5.742 -13.203 437 1HG LYS 61 2HG LYS 61 4.161 4.964 -13.407 438 2HG LYS 61 3HG LYS 61 3.570 3.705 -14.476 439 1HD LYS 61 2HD LYS 61 3.828 5.249 -16.137 440 2HD LYS 61 3HD LYS 61 2.325 5.929 -15.548 441 1HE LYS 61 2HE LYS 61 4.063 7.127 -13.811 442 2HE LYS 61 3HE LYS 61 5.132 6.920 -15.184 443 1HZ LYS 61 1HZ LYS 61 3.491 8.947 -14.947 444 2HZ LYS 61 2HZ LYS 61 3.949 8.362 -16.402 445 3HZ LYS 61 3HZ LYS 61 2.502 7.942 -15.772 446 H CYS 62 HN CYS 62 2.167 2.234 -13.935 447 HA CYS 62 HA CYS 62 3.053 0.004 -12.704 448 1HB CYS 62 2HB CYS 62 3.353 1.034 -15.500 449 2HB CYS 62 3HB CYS 62 4.177 -0.444 -15.043 450 H GLY 63 HN GLY 63 4.953 -0.600 -11.700 451 1HA GLY 63 1HA GLY 63 7.318 -0.749 -11.706 452 2HA GLY 63 2HA GLY 63 7.417 0.847 -12.423 453 H GLY 64 HN GLY 64 5.090 1.703 -10.507 454 1HA GLY 64 1HA GLY 64 6.803 2.725 -8.452 455 2HA GLY 64 2HA GLY 64 5.079 2.976 -8.635 456 H CYS 65 HN CYS 65 4.587 -0.034 -8.838 457 HA CYS 65 HA CYS 65 5.112 -0.686 -6.031 458 1HB CYS 65 2HB CYS 65 2.561 -1.367 -7.499 459 2HB CYS 65 3HB CYS 65 2.927 -1.645 -5.807 460 H HIS 66 HN HIS 66 3.541 -2.293 -8.894 461 HA HIS 66 HA HIS 66 4.696 -4.761 -8.381 462 1HB HIS 66 2HB HIS 66 3.555 -3.586 -10.928 463 2HB HIS 66 3HB HIS 66 4.002 -5.271 -10.745 464 HD1 HIS 66 HD1 HIS 66 2.184 -6.792 -9.940 465 HD2 HIS 66 HD2 HIS 66 1.476 -2.790 -8.900 466 HE1 HIS 66 HE1 HIS 66 -0.123 -6.734 -8.851 467 H ILE 67 HN ILE 67 6.441 -5.907 -9.407 468 HA ILE 67 HA ILE 67 8.356 -4.132 -10.750 469 HB ILE 67 HB ILE 67 8.843 -6.127 -8.545 470 1HG1 ILE 67 2HG ILE 67 9.951 -3.357 -8.576 471 2HG1 ILE 67 3HG ILE 67 8.231 -3.530 -8.295 472 1HG2 ILE 67 1HG ILE 67 10.799 -4.907 -10.497 473 2HG2 ILE 67 2HG ILE 67 11.283 -5.536 -8.905 474 3HG2 ILE 67 3HG ILE 67 10.545 -6.625 -10.104 475 1HD1 ILE 67 1HD ILE 67 10.117 -3.719 -6.323 476 2HD1 ILE 67 2HD ILE 67 8.522 -4.505 -6.237 477 3HD1 ILE 67 3HD ILE 67 9.945 -5.434 -6.768 478 H LYS 68 HN LYS 68 7.664 -4.841 -12.818 479 HA LYS 68 HA LYS 68 7.636 -7.676 -13.336 480 1HB LYS 68 2HB LYS 68 6.080 -5.823 -14.310 481 2HB LYS 68 3HB LYS 68 7.401 -5.515 -15.420 482 1HG LYS 68 2HG LYS 68 7.397 -8.017 -15.973 483 2HG LYS 68 3HG LYS 68 5.933 -8.161 -15.022 484 1HD LYS 68 2HD LYS 68 4.940 -7.771 -17.070 485 2HD LYS 68 3HD LYS 68 5.156 -6.100 -16.588 486 1HE LYS 68 2HE LYS 68 7.627 -6.945 -17.787 487 2HE LYS 68 3HE LYS 68 6.338 -7.499 -18.836 488 1HZ LYS 68 1HZ LYS 68 6.960 -4.772 -18.022 489 2HZ LYS 68 2HZ LYS 68 6.701 -5.362 -19.522 490 3HZ LYS 68 3HZ LYS 68 5.444 -5.143 -18.502 491 HHA HEC 98 HGM HEC 98 -4.408 -5.115 7.733 492 HHB HEC 98 HDM HEC 98 -1.292 -3.435 12.875 493 HHC HEC 98 HAM HEC 98 1.838 0.869 9.441 494 HHD HEC 98 HBM HEC 98 -1.693 -0.626 4.531 495 1HMA HEC 98 1HM HEC 98 -3.418 -6.704 12.593 496 2HMA HEC 98 2HM HEC 98 -1.750 -6.152 12.878 497 3HMA HEC 98 3HM HEC 98 -3.122 -5.158 13.423 498 1HAA HEC 98 1HA HEC 98 -4.488 -7.207 10.807 499 2HAA HEC 98 2HA HEC 98 -5.193 -6.325 9.432 500 1HBA HEC 98 3HB HEC 98 -4.315 -8.093 8.195 501 2HBA HEC 98 4HB HEC 98 -2.808 -7.154 8.312 502 1HMB HEC 98 1HM HEC 98 1.238 -1.347 14.431 503 2HMB HEC 98 2HM HEC 98 -0.456 -0.808 14.403 504 3HMB HEC 98 3HM HEC 98 -0.071 -2.537 14.237 505 HAB HEC 98 HT2 HEC 98 2.394 1.168 11.378 506 1HBB HEC 98 1HT HEC 98 3.663 -0.715 13.273 507 2HBB HEC 98 2HT HEC 98 3.776 -0.883 11.505 508 3HBB HEC 98 3HT HEC 98 4.360 0.599 12.296 509 1HMC HEC 98 1HM HEC 98 2.949 1.758 7.749 510 2HMC HEC 98 2HM HEC 98 2.423 2.531 6.236 511 3HMC HEC 98 3HM HEC 98 1.725 3.047 7.787 512 HAC HEC 98 HT4 HEC 98 0.556 1.392 3.901 513 1HBC HEC 98 1HT HEC 98 -0.347 3.892 4.346 514 2HBC HEC 98 2HT HEC 98 0.242 3.522 5.983 515 3HBC HEC 98 3HT HEC 98 1.354 3.432 4.596 516 1HMD HEC 98 1HM HEC 98 -3.382 -0.988 3.285 517 2HMD HEC 98 2HM HEC 98 -2.873 -2.596 2.720 518 3HMD HEC 98 3HM HEC 98 -4.579 -2.296 3.126 519 1HAD HEC 98 1HA HEC 98 -5.071 -5.322 5.578 520 2HAD HEC 98 2HA HEC 98 -5.427 -4.192 4.249 521 1HBD HEC 98 3HB HEC 98 -3.293 -4.930 3.170 522 2HBD HEC 98 4HB HEC 98 -3.168 -6.185 4.426 523 HHA HEC 128 HGM HEC 128 7.888 3.441 -0.889 524 HHB HEC 128 HDM HEC 128 3.858 -0.768 -3.128 525 HHC HEC 128 HAM HEC 128 -0.687 1.862 0.413 526 HHD HEC 128 HBM HEC 128 3.364 6.253 2.178 527 1HMA HEC 128 1HM HEC 128 5.815 -1.696 -3.325 528 2HMA HEC 128 2HM HEC 128 6.873 -0.716 -4.367 529 3HMA HEC 128 3HM HEC 128 7.537 -1.507 -2.918 530 1HAA HEC 128 1HA HEC 128 9.031 0.692 -2.948 531 2HAA HEC 128 2HA HEC 128 8.997 2.229 -2.052 532 1HBA HEC 128 3HB HEC 128 9.217 1.089 0.092 533 2HBA HEC 128 4HB HEC 128 8.911 -0.500 -0.648 534 1HMB HEC 128 1HM HEC 128 1.772 -1.010 -4.299 535 2HMB HEC 128 2HM HEC 128 1.685 -2.334 -3.113 536 3HMB HEC 128 3HM HEC 128 0.193 -1.537 -3.665 537 HAB HEC 128 HT2 HEC 128 -1.601 0.452 -0.733 538 1HBB HEC 128 1HT HEC 128 -1.149 -1.264 0.656 539 2HBB HEC 128 2HT HEC 128 -2.328 -1.892 -0.519 540 3HBB HEC 128 3HT HEC 128 -0.610 -2.336 -0.659 541 1HMC HEC 128 1HM HEC 128 -1.776 2.776 1.762 542 2HMC HEC 128 2HM HEC 128 -1.659 4.074 2.973 543 3HMC HEC 128 3HM HEC 128 -2.103 4.461 1.294 544 HAC HEC 128 HT4 HEC 128 1.403 6.944 2.731 545 1HBC HEC 128 1HT HEC 128 -1.286 5.849 3.663 546 2HBC HEC 128 2HT HEC 128 0.242 5.749 4.573 547 3HBC HEC 128 3HT HEC 128 -0.495 7.335 4.240 548 1HMD HEC 128 1HM HEC 128 6.742 7.406 2.627 549 2HMD HEC 128 2HM HEC 128 5.558 8.153 1.529 550 3HMD HEC 128 3HM HEC 128 5.002 7.284 2.978 551 1HAD HEC 128 1HA HEC 128 8.813 5.195 0.258 552 2HAD HEC 128 2HA HEC 128 8.317 6.746 0.974 553 1HBD HEC 128 3HB HEC 128 9.584 5.877 2.662 554 2HBD HEC 128 4HB HEC 128 7.976 5.274 3.126 555 HHA HEC 158 HGM HEC 158 -3.033 -7.335 -7.175 556 HHB HEC 158 HDM HEC 158 -1.560 -5.817 -13.049 557 HHC HEC 158 HAM HEC 158 0.074 -0.040 -11.033 558 HHD HEC 158 HBM HEC 158 -1.009 -1.885 -5.181 559 1HMA HEC 158 1HM HEC 158 -2.187 -8.481 -12.751 560 2HMA HEC 158 2HM HEC 158 -3.797 -8.883 -12.106 561 3HMA HEC 158 3HM HEC 158 -3.576 -7.421 -13.095 562 1HAA HEC 158 1HA HEC 158 -4.185 -8.539 -8.209 563 2HAA HEC 158 2HA HEC 158 -4.860 -8.905 -9.815 564 1HBA HEC 158 3HB HEC 158 -2.070 -9.670 -9.854 565 2HBA HEC 158 4HB HEC 158 -2.787 -10.350 -8.375 566 1HMB HEC 158 1HM HEC 158 -0.133 -5.126 -14.467 567 2HMB HEC 158 2HM HEC 158 -1.077 -3.858 -15.284 568 3HMB HEC 158 3HM HEC 158 0.673 -3.647 -15.042 569 HAB HEC 158 HT2 HEC 158 1.243 -0.657 -13.359 570 1HBB HEC 158 1HT HEC 158 -1.202 0.286 -12.577 571 2HBB HEC 158 2HT HEC 158 0.243 1.183 -13.102 572 3HBB HEC 158 3HT HEC 158 -1.019 0.759 -14.282 573 1HMC HEC 158 1HM HEC 158 1.085 1.421 -10.015 574 2HMC HEC 158 2HM HEC 158 -0.270 2.252 -9.215 575 3HMC HEC 158 3HM HEC 158 1.270 2.029 -8.353 576 HAC HEC 158 HT4 HEC 158 0.071 -0.024 -5.068 577 1HBC HEC 158 1HT HEC 158 -1.033 2.053 -5.590 578 2HBC HEC 158 2HT HEC 158 0.576 2.458 -4.945 579 3HBC HEC 158 3HT HEC 158 0.273 2.541 -6.696 580 1HMD HEC 158 1HM HEC 158 -0.802 -3.230 -3.287 581 2HMD HEC 158 2HM HEC 158 -2.552 -2.909 -3.247 582 3HMD HEC 158 3HM HEC 158 -1.929 -4.503 -2.761 583 1HAD HEC 158 1HA HEC 158 -3.689 -5.748 -3.564 584 2HAD HEC 158 2HA HEC 158 -4.097 -6.758 -4.971 585 1HBD HEC 158 3HB HEC 158 -2.521 -8.284 -4.494 586 2HBD HEC 158 4HB HEC 158 -1.350 -7.064 -3.938 Start of MODEL 34 1 H ALA 1 HN ALA 1 4.416 -7.508 12.531 2 HA ALA 1 HA ALA 1 5.379 -8.684 10.730 3 1HB ALA 1 1HB ALA 1 4.386 -8.003 8.381 4 2HB ALA 1 2HB ALA 1 3.573 -9.240 9.369 5 3HB ALA 1 3HB ALA 1 2.947 -7.574 9.338 6 H ASP 2 HN ASP 2 6.819 -7.715 8.952 7 HA ASP 2 HA ASP 2 7.224 -4.899 9.593 8 1HB ASP 2 2HB ASP 2 9.663 -5.406 8.928 9 2HB ASP 2 3HB ASP 2 9.113 -6.063 10.457 10 H VAL 3 HN VAL 3 7.648 -7.547 7.139 11 HA VAL 3 HA VAL 3 7.191 -5.540 5.050 12 HB VAL 3 HB VAL 3 9.260 -7.745 5.094 13 1HG1 VAL 3 1HG VAL 3 9.758 -7.318 2.829 14 2HG1 VAL 3 2HG VAL 3 7.982 -7.423 2.892 15 3HG1 VAL 3 3HG VAL 3 8.776 -5.834 2.802 16 1HG2 VAL 3 1HG VAL 3 10.868 -5.907 4.791 17 2HG2 VAL 3 2HG VAL 3 9.536 -4.728 4.869 18 3HG2 VAL 3 3HG VAL 3 9.933 -5.718 6.294 19 H VAL 4 HN VAL 4 5.225 -6.007 4.212 20 HA VAL 4 HA VAL 4 4.419 -8.815 4.160 21 HB VAL 4 HB VAL 4 2.910 -6.211 3.901 22 1HG1 VAL 4 1HG VAL 4 2.213 -8.687 2.745 23 2HG1 VAL 4 2HG VAL 4 1.208 -8.529 4.205 24 3HG1 VAL 4 3HG VAL 4 1.177 -7.256 2.961 25 1HG2 VAL 4 1HG VAL 4 3.767 -7.544 6.156 26 2HG2 VAL 4 2HG VAL 4 2.401 -6.406 6.081 27 3HG2 VAL 4 3HG VAL 4 2.108 -8.156 5.952 28 H THR 5 HN THR 5 4.439 -9.961 2.290 29 HA THR 5 HA THR 5 4.402 -8.439 -0.221 30 HB THR 5 HB THR 5 6.381 -10.585 0.691 31 HG1 THR 5 HG1 THR 5 7.455 -8.667 0.937 32 1HG2 THR 5 1HG THR 5 6.340 -9.273 -2.054 33 2HG2 THR 5 2HG THR 5 7.231 -10.722 -1.530 34 3HG2 THR 5 3HG THR 5 5.470 -10.802 -1.780 35 H TYR 6 HN TYR 6 2.820 -9.075 -1.536 36 HA TYR 6 HA TYR 6 1.744 -11.775 -1.075 37 1HB TYR 6 2HB TYR 6 0.579 -9.135 -2.160 38 2HB TYR 6 3HB TYR 6 -0.330 -10.633 -2.118 39 HD1 TYR 6 HD1 TYR 6 0.256 -11.752 0.512 40 HD2 TYR 6 HD2 TYR 6 -0.375 -7.675 -0.622 41 HE1 TYR 6 HE1 TYR 6 -0.520 -11.207 2.872 42 HE2 TYR 6 HE2 TYR 6 -1.149 -7.145 1.741 43 HH TYR 6 HH TYR 6 -0.768 -9.422 4.315 44 H GLU 7 HN GLU 7 2.235 -13.213 -2.648 45 HA GLU 7 HA GLU 7 3.338 -12.333 -5.077 46 1HB GLU 7 2HB GLU 7 2.295 -15.104 -4.343 47 2HB GLU 7 3HB GLU 7 3.397 -14.733 -5.654 48 1HG GLU 7 2HG GLU 7 5.044 -13.823 -3.968 49 2HG GLU 7 3HG GLU 7 3.953 -14.299 -2.681 50 H ASN 8 HN ASN 8 2.118 -11.299 -6.607 51 HA ASN 8 HA ASN 8 -0.628 -12.153 -6.899 52 1HB ASN 8 2HB ASN 8 0.929 -9.785 -8.062 53 2HB ASN 8 3HB ASN 8 -0.759 -10.098 -8.418 54 1HD2 ASN 8 1HD ASN 8 1.004 -8.089 -6.795 55 2HD2 ASN 8 2HD ASN 8 0.103 -7.833 -5.337 56 H LYS 9 HN LYS 9 -1.229 -11.718 -9.535 57 HA LYS 9 HA LYS 9 -0.027 -13.884 -10.852 58 1HB LYS 9 2HB LYS 9 -2.372 -12.974 -11.154 59 2HB LYS 9 3HB LYS 9 -1.676 -11.670 -12.094 60 1HG LYS 9 2HG LYS 9 -1.239 -13.021 -13.900 61 2HG LYS 9 3HG LYS 9 -0.720 -14.365 -12.903 62 1HD LYS 9 2HD LYS 9 -2.931 -15.159 -12.581 63 2HD LYS 9 3HD LYS 9 -3.654 -13.608 -12.953 64 1HE LYS 9 2HE LYS 9 -2.603 -13.964 -15.352 65 2HE LYS 9 3HE LYS 9 -2.475 -15.645 -14.870 66 1HZ LYS 9 1HZ LYS 9 -4.641 -14.605 -15.935 67 2HZ LYS 9 2HZ LYS 9 -4.682 -15.892 -14.931 68 3HZ LYS 9 3HZ LYS 9 -5.016 -14.399 -14.359 69 H LYS 10 HN LYS 10 -0.002 -10.386 -11.844 70 HA LYS 10 HA LYS 10 2.822 -10.723 -12.504 71 1HB LYS 10 2HB LYS 10 0.862 -9.474 -14.444 72 2HB LYS 10 3HB LYS 10 2.564 -9.806 -14.702 73 1HG LYS 10 2HG LYS 10 0.598 -12.036 -14.044 74 2HG LYS 10 3HG LYS 10 0.836 -11.487 -15.690 75 1HD LYS 10 2HD LYS 10 2.960 -12.393 -15.841 76 2HD LYS 10 3HD LYS 10 3.343 -12.054 -14.165 77 1HE LYS 10 2HE LYS 10 1.445 -13.925 -13.732 78 2HE LYS 10 3HE LYS 10 1.911 -14.429 -15.344 79 1HZ LYS 10 1HZ LYS 10 4.253 -14.325 -14.464 80 2HZ LYS 10 2HZ LYS 10 3.604 -14.245 -12.967 81 3HZ LYS 10 3HZ LYS 10 3.320 -15.548 -13.911 82 H GLY 11 HN GLY 11 3.002 -9.551 -10.432 83 1HA GLY 11 1HA GLY 11 3.286 -6.762 -10.859 84 2HA GLY 11 2HA GLY 11 1.847 -7.081 -9.909 85 H ASN 12 HN ASN 12 2.787 -9.490 -8.549 86 HA ASN 12 HA ASN 12 3.635 -9.893 -6.573 87 1HB ASN 12 2HB ASN 12 6.143 -8.872 -8.007 88 2HB ASN 12 3HB ASN 12 6.188 -9.764 -6.500 89 1HD2 ASN 12 1HD ASN 12 7.306 -11.475 -7.337 90 2HD2 ASN 12 2HD ASN 12 6.631 -12.636 -8.430 91 H VAL 13 HN VAL 13 2.588 -8.250 -5.253 92 HA VAL 13 HA VAL 13 3.850 -5.663 -5.036 93 HB VAL 13 HB VAL 13 1.382 -6.036 -5.087 94 1HG1 VAL 13 1HG VAL 13 1.534 -6.880 -2.202 95 2HG1 VAL 13 2HG VAL 13 0.198 -7.052 -3.367 96 3HG1 VAL 13 3HG VAL 13 1.634 -8.097 -3.498 97 1HG2 VAL 13 1HG VAL 13 2.748 -4.559 -2.847 98 2HG2 VAL 13 2HG VAL 13 1.974 -3.923 -4.318 99 3HG2 VAL 13 3HG VAL 13 0.973 -4.547 -2.985 100 H THR 14 HN THR 14 5.467 -5.197 -3.642 101 HA THR 14 HA THR 14 5.923 -7.110 -1.456 102 HB THR 14 HB THR 14 7.781 -5.138 -2.889 103 HG1 THR 14 HG1 THR 14 8.575 -7.259 -3.685 104 1HG2 THR 14 1HG THR 14 8.120 -6.236 -0.332 105 2HG2 THR 14 2HG THR 14 8.914 -7.428 -1.389 106 3HG2 THR 14 3HG THR 14 9.439 -5.727 -1.412 107 H PHE 15 HN PHE 15 3.926 -5.835 -0.561 108 HA PHE 15 HA PHE 15 4.133 -3.232 0.261 109 1HB PHE 15 2HB PHE 15 2.336 -5.272 0.465 110 2HB PHE 15 3HB PHE 15 3.014 -5.401 2.076 111 HD1 PHE 15 HD1 PHE 15 1.201 -4.710 3.394 112 HD2 PHE 15 HD2 PHE 15 2.459 -2.276 0.153 113 HE1 PHE 15 HE1 PHE 15 -0.320 -2.875 4.182 114 HE2 PHE 15 HE2 PHE 15 0.938 -0.441 0.941 115 HZ PHE 15 HZ PHE 15 -0.434 -0.762 2.946 116 H ASP 16 HN ASP 16 4.230 -2.564 2.719 117 HA ASP 16 HA ASP 16 6.286 -4.055 4.090 118 1HB ASP 16 2HB ASP 16 6.516 -1.040 3.715 119 2HB ASP 16 3HB ASP 16 7.704 -2.112 4.432 120 H HIS 17 HN HIS 17 6.080 -3.807 6.396 121 HA HIS 17 HA HIS 17 3.769 -2.209 7.199 122 1HB HIS 17 2HB HIS 17 4.219 -4.851 7.595 123 2HB HIS 17 3HB HIS 17 4.943 -4.208 9.055 124 HD1 HIS 17 HD1 HIS 17 3.281 -4.456 10.897 125 HD2 HIS 17 HD2 HIS 17 1.485 -3.205 7.319 126 HE1 HIS 17 HE1 HIS 17 0.813 -4.086 11.427 127 H LYS 18 HN LYS 18 7.094 -3.188 8.287 128 HA LYS 18 HA LYS 18 7.146 -0.989 10.144 129 1HB LYS 18 2HB LYS 18 8.135 -3.091 10.804 130 2HB LYS 18 3HB LYS 18 9.171 -3.113 9.392 131 1HG LYS 18 2HG LYS 18 10.644 -1.569 10.269 132 2HG LYS 18 3HG LYS 18 9.378 -0.639 11.045 133 1HD LYS 18 2HD LYS 18 9.269 -2.130 12.923 134 2HD LYS 18 3HD LYS 18 10.139 -3.395 12.079 135 1HE LYS 18 2HE LYS 18 12.208 -2.018 12.089 136 2HE LYS 18 3HE LYS 18 11.348 -0.697 12.856 137 1HZ LYS 18 1HZ LYS 18 11.989 -3.317 13.986 138 2HZ LYS 18 2HZ LYS 18 12.368 -1.839 14.569 139 3HZ LYS 18 3HZ LYS 18 10.829 -2.376 14.646 140 H ALA 19 HN ALA 19 8.632 -1.907 6.990 141 HA ALA 19 HA ALA 19 10.368 0.245 6.782 142 1HB ALA 19 1HB ALA 19 9.083 -0.644 4.275 143 2HB ALA 19 2HB ALA 19 10.796 -0.682 4.759 144 3HB ALA 19 3HB ALA 19 9.693 -1.973 5.290 145 H HIS 20 HN HIS 20 6.855 -0.063 6.151 146 HA HIS 20 HA HIS 20 6.719 2.524 4.945 147 1HB HIS 20 2HB HIS 20 4.804 0.340 5.640 148 2HB HIS 20 3HB HIS 20 4.156 1.957 5.446 149 HD1 HIS 20 HD1 HIS 20 4.200 -0.852 3.522 150 HD2 HIS 20 HD2 HIS 20 5.756 2.975 2.799 151 HE1 HIS 20 HE1 HIS 20 4.405 -0.632 0.988 152 H ALA 21 HN ALA 21 5.260 1.119 7.971 153 HA ALA 21 HA ALA 21 4.370 3.377 9.124 154 1HB ALA 21 1HB ALA 21 4.058 1.169 10.088 155 2HB ALA 21 2HB ALA 21 5.803 1.018 10.407 156 3HB ALA 21 3HB ALA 21 4.835 2.215 11.301 157 H GLU 22 HN GLU 22 7.771 2.138 9.187 158 HA GLU 22 HA GLU 22 8.899 3.858 10.879 159 1HB GLU 22 2HB GLU 22 9.825 2.545 8.345 160 2HB GLU 22 3HB GLU 22 10.860 3.793 9.009 161 1HG GLU 22 2HG GLU 22 10.019 2.153 11.212 162 2HG GLU 22 3HG GLU 22 10.502 1.066 9.925 163 H LYS 23 HN LYS 23 7.532 4.599 7.702 164 HA LYS 23 HA LYS 23 8.505 7.356 7.995 165 1HB LYS 23 2HB LYS 23 7.757 5.817 5.491 166 2HB LYS 23 3HB LYS 23 8.144 7.526 5.532 167 1HG LYS 23 2HG LYS 23 10.010 5.286 6.450 168 2HG LYS 23 3HG LYS 23 10.118 6.115 4.909 169 1HD LYS 23 2HD LYS 23 10.264 8.313 6.333 170 2HD LYS 23 3HD LYS 23 10.602 7.253 7.687 171 1HE LYS 23 2HE LYS 23 12.554 6.296 6.502 172 2HE LYS 23 3HE LYS 23 12.186 7.240 5.072 173 1HZ LYS 23 1HZ LYS 23 12.302 9.149 6.866 174 2HZ LYS 23 2HZ LYS 23 13.335 8.096 7.569 175 3HZ LYS 23 3HZ LYS 23 13.619 8.630 6.052 176 H LEU 24 HN LEU 24 5.787 5.184 8.022 177 HA LEU 24 HA LEU 24 3.942 7.422 7.647 178 1HB LEU 24 2HB LEU 24 3.329 4.473 7.831 179 2HB LEU 24 3HB LEU 24 2.232 5.758 7.365 180 HG LEU 24 HG LEU 24 3.948 4.177 5.724 181 1HD1 LEU 24 1HD LEU 24 2.659 5.072 3.940 182 2HD1 LEU 24 2HD LEU 24 1.572 4.923 5.341 183 3HD1 LEU 24 3HD LEU 24 2.223 6.516 4.884 184 1HD2 LEU 24 1HD LEU 24 5.761 5.612 5.783 185 2HD2 LEU 24 2HD LEU 24 4.858 6.207 4.370 186 3HD2 LEU 24 3HD LEU 24 4.746 7.066 5.925 187 H GLY 25 HN GLY 25 2.333 5.086 9.374 188 1HA GLY 25 1HA GLY 25 3.209 5.214 11.977 189 2HA GLY 25 2HA GLY 25 2.276 6.678 11.743 190 H CYS 26 HN CYS 26 1.708 3.532 10.082 191 HA CYS 26 HA CYS 26 0.026 2.124 10.120 192 1HB CYS 26 2HB CYS 26 -1.236 2.876 12.649 193 2HB CYS 26 3HB CYS 26 -0.646 1.323 12.093 194 H ASP 27 HN ASP 27 -1.286 4.954 12.009 195 HA ASP 27 HA ASP 27 -3.745 5.074 11.185 196 1HB ASP 27 2HB ASP 27 -1.706 7.309 11.411 197 2HB ASP 27 3HB ASP 27 -3.361 7.687 10.976 198 H ALA 28 HN ALA 28 -0.856 5.768 9.194 199 HA ALA 28 HA ALA 28 -1.772 7.159 7.093 200 1HB ALA 28 1HB ALA 28 0.329 6.612 6.510 201 2HB ALA 28 2HB ALA 28 0.326 5.232 7.634 202 3HB ALA 28 3HB ALA 28 -0.280 5.027 5.972 203 H CYS 29 HN CYS 29 -2.404 3.684 7.808 204 HA CYS 29 HA CYS 29 -4.265 3.696 5.547 205 1HB CYS 29 2HB CYS 29 -3.302 1.200 6.911 206 2HB CYS 29 3HB CYS 29 -3.979 1.395 5.306 207 H HIS 30 HN HIS 30 -3.759 2.280 8.870 208 HA HIS 30 HA HIS 30 -6.613 2.074 9.196 209 1HB HIS 30 2HB HIS 30 -5.139 1.503 11.595 210 2HB HIS 30 3HB HIS 30 -6.093 0.428 10.593 211 HD1 HIS 30 HD1 HIS 30 -2.609 2.036 10.289 212 HD2 HIS 30 HD2 HIS 30 -4.565 -1.621 9.667 213 HE1 HIS 30 HE1 HIS 30 -0.826 0.401 9.480 214 H GLU 31 HN GLU 31 -6.642 2.589 12.078 215 HA GLU 31 HA GLU 31 -5.630 4.996 12.808 216 1HB GLU 31 2HB GLU 31 -7.456 5.467 10.752 217 2HB GLU 31 3HB GLU 31 -8.421 5.748 12.187 218 1HG GLU 31 2HG GLU 31 -7.399 7.740 12.542 219 2HG GLU 31 3HG GLU 31 -5.827 6.965 12.592 220 H GLY 32 HN GLY 32 -5.852 4.940 15.005 221 1HA GLY 32 1HA GLY 32 -6.774 4.620 17.038 222 2HA GLY 32 2HA GLY 32 -8.348 4.471 16.283 223 H THR 33 HN THR 33 -8.384 2.284 14.750 224 HA THR 33 HA THR 33 -7.096 0.100 16.196 225 HB THR 33 HB THR 33 -10.117 0.467 15.842 226 HG1 THR 33 HG1 THR 33 -8.273 0.068 18.093 227 1HG2 THR 33 1HG THR 33 -10.388 -1.774 16.213 228 2HG2 THR 33 2HG THR 33 -8.650 -1.971 15.884 229 3HG2 THR 33 3HG THR 33 -9.219 -1.734 17.554 230 HA PRO 34 HA PRO 34 -6.736 -0.826 11.934 231 1HB PRO 34 2HB PRO 34 -4.578 -2.486 12.170 232 2HB PRO 34 3HB PRO 34 -4.435 -0.752 11.966 233 1HG PRO 34 2HG PRO 34 -4.039 -2.369 14.408 234 2HG PRO 34 3HG PRO 34 -3.501 -0.735 14.075 235 1HD PRO 34 2HD PRO 34 -5.721 -1.508 15.718 236 2HD PRO 34 3HD PRO 34 -5.252 0.125 15.290 237 H ALA 35 HN ALA 35 -5.459 -3.735 13.299 238 HA ALA 35 HA ALA 35 -6.458 -5.725 13.664 239 1HB ALA 35 1HB ALA 35 -8.777 -6.030 13.621 240 2HB ALA 35 2HB ALA 35 -8.630 -4.291 13.974 241 3HB ALA 35 3HB ALA 35 -9.012 -4.834 12.323 242 H LYS 36 HN LYS 36 -7.575 -4.135 10.590 243 HA LYS 36 HA LYS 36 -5.845 -5.569 8.970 244 1HB LYS 36 2HB LYS 36 -6.952 -7.422 8.209 245 2HB LYS 36 3HB LYS 36 -7.479 -7.417 9.881 246 1HG LYS 36 2HG LYS 36 -9.591 -7.496 9.015 247 2HG LYS 36 3HG LYS 36 -9.384 -5.778 8.739 248 1HD LYS 36 2HD LYS 36 -9.612 -6.143 6.514 249 2HD LYS 36 3HD LYS 36 -8.107 -7.040 6.535 250 1HE LYS 36 2HE LYS 36 -9.264 -8.927 6.039 251 2HE LYS 36 3HE LYS 36 -10.054 -8.823 7.599 252 1HZ LYS 36 1HZ LYS 36 -11.522 -8.809 5.598 253 2HZ LYS 36 2HZ LYS 36 -11.800 -7.614 6.674 254 3HZ LYS 36 3HZ LYS 36 -11.000 -7.293 5.287 255 H ILE 37 HN ILE 37 -6.779 -5.489 6.547 256 HA ILE 37 HA ILE 37 -8.511 -3.154 6.290 257 HB ILE 37 HB ILE 37 -5.942 -3.349 4.741 258 1HG1 ILE 37 2HG ILE 37 -6.390 -2.013 7.422 259 2HG1 ILE 37 3HG ILE 37 -5.239 -3.278 7.041 260 1HG2 ILE 37 1HG ILE 37 -6.967 -1.723 3.612 261 2HG2 ILE 37 2HG ILE 37 -8.228 -1.533 4.855 262 3HG2 ILE 37 3HG ILE 37 -6.666 -0.701 5.037 263 1HD1 ILE 37 1HD ILE 37 -5.162 -0.354 6.321 264 2HD1 ILE 37 2HD ILE 37 -3.853 -1.413 6.901 265 3HD1 ILE 37 3HD ILE 37 -4.396 -1.515 5.209 266 H ALA 38 HN ALA 38 -9.220 -2.888 3.931 267 HA ALA 38 HA ALA 38 -9.608 -5.584 2.838 268 1HB ALA 38 1HB ALA 38 -11.279 -3.113 3.063 269 2HB ALA 38 2HB ALA 38 -11.485 -4.104 1.600 270 3HB ALA 38 3HB ALA 38 -11.745 -4.825 3.207 271 H ILE 39 HN ILE 39 -7.475 -5.539 1.803 272 HA ILE 39 HA ILE 39 -7.355 -3.634 -0.426 273 HB ILE 39 HB ILE 39 -5.263 -5.030 1.208 274 1HG1 ILE 39 2HG ILE 39 -6.140 -2.769 1.845 275 2HG1 ILE 39 3HG ILE 39 -4.410 -2.843 1.574 276 1HG2 ILE 39 1HG ILE 39 -3.822 -3.723 -0.726 277 2HG2 ILE 39 2HG ILE 39 -4.110 -5.478 -0.656 278 3HG2 ILE 39 3HG ILE 39 -5.149 -4.445 -1.666 279 1HD1 ILE 39 1HD ILE 39 -4.973 -0.920 0.365 280 2HD1 ILE 39 2HD ILE 39 -5.052 -2.157 -0.912 281 3HD1 ILE 39 3HD ILE 39 -6.548 -1.577 -0.142 282 H ASP 40 HN ASP 40 -7.741 -4.387 -2.438 283 HA ASP 40 HA ASP 40 -6.927 -7.021 -3.116 284 1HB ASP 40 2HB ASP 40 -9.205 -7.750 -3.875 285 2HB ASP 40 3HB ASP 40 -9.081 -7.596 -2.134 286 H LYS 41 HN LYS 41 -7.740 -7.420 -5.569 287 HA LYS 41 HA LYS 41 -6.947 -5.143 -7.040 288 1HB LYS 41 2HB LYS 41 -6.487 -7.514 -7.666 289 2HB LYS 41 3HB LYS 41 -8.188 -7.730 -8.020 290 1HG LYS 41 2HG LYS 41 -7.082 -5.325 -9.324 291 2HG LYS 41 3HG LYS 41 -6.232 -6.781 -9.799 292 1HD LYS 41 2HD LYS 41 -8.665 -7.790 -10.102 293 2HD LYS 41 3HD LYS 41 -9.168 -6.112 -10.142 294 1HE LYS 41 2HE LYS 41 -8.458 -5.897 -12.286 295 2HE LYS 41 3HE LYS 41 -6.842 -6.412 -11.847 296 1HZ LYS 41 1HZ LYS 41 -9.026 -7.974 -12.899 297 2HZ LYS 41 2HZ LYS 41 -7.422 -8.103 -13.181 298 3HZ LYS 41 3HZ LYS 41 -8.064 -8.721 -11.813 299 H LYS 42 HN LYS 42 -8.643 -3.713 -5.916 300 HA LYS 42 HA LYS 42 -10.617 -3.099 -7.797 301 1HB LYS 42 2HB LYS 42 -11.692 -5.145 -6.888 302 2HB LYS 42 3HB LYS 42 -11.694 -4.425 -5.292 303 1HG LYS 42 2HG LYS 42 -12.820 -2.472 -7.058 304 2HG LYS 42 3HG LYS 42 -13.562 -4.003 -7.479 305 1HD LYS 42 2HD LYS 42 -14.933 -3.746 -5.690 306 2HD LYS 42 3HD LYS 42 -13.542 -4.015 -4.658 307 1HE LYS 42 2HE LYS 42 -13.684 -1.878 -3.915 308 2HE LYS 42 3HE LYS 42 -13.369 -1.296 -5.537 309 1HZ LYS 42 1HZ LYS 42 -15.837 -1.779 -5.885 310 2HZ LYS 42 2HZ LYS 42 -15.943 -1.768 -4.256 311 3HZ LYS 42 3HZ LYS 42 -15.419 -0.440 -5.049 312 H SER 43 HN SER 43 -9.696 -3.028 -4.302 313 HA SER 43 HA SER 43 -10.343 -0.191 -4.356 314 1HB SER 43 2HB SER 43 -10.027 -2.154 -2.047 315 2HB SER 43 3HB SER 43 -10.191 -0.426 -1.810 316 HG SER 43 HG SER 43 -12.284 -0.462 -2.591 317 H ALA 44 HN ALA 44 -7.805 -2.638 -3.788 318 HA ALA 44 HA ALA 44 -5.893 -1.008 -2.602 319 1HB ALA 44 1HB ALA 44 -4.613 -2.879 -2.764 320 2HB ALA 44 2HB ALA 44 -6.119 -3.646 -3.317 321 3HB ALA 44 3HB ALA 44 -4.930 -3.065 -4.506 322 H HIS 45 HN HIS 45 -7.277 -0.943 -5.779 323 HA HIS 45 HA HIS 45 -4.960 0.509 -6.801 324 1HB HIS 45 2HB HIS 45 -7.226 -0.989 -8.077 325 2HB HIS 45 3HB HIS 45 -6.437 0.292 -8.976 326 HD1 HIS 45 HD1 HIS 45 -5.799 -1.887 -10.542 327 HD2 HIS 45 HD2 HIS 45 -3.835 -1.528 -6.853 328 HE1 HIS 45 HE1 HIS 45 -3.741 -3.389 -10.679 329 H LYS 46 HN LYS 46 -7.619 1.143 -4.991 330 HA LYS 46 HA LYS 46 -8.246 3.613 -6.445 331 1HB LYS 46 2HB LYS 46 -9.953 1.673 -5.486 332 2HB LYS 46 3HB LYS 46 -9.979 2.853 -4.191 333 1HG LYS 46 2HG LYS 46 -11.064 4.424 -5.464 334 2HG LYS 46 3HG LYS 46 -10.107 4.077 -6.891 335 1HD LYS 46 2HD LYS 46 -11.664 2.627 -7.728 336 2HD LYS 46 3HD LYS 46 -11.901 1.842 -6.179 337 1HE LYS 46 2HE LYS 46 -13.376 3.693 -5.432 338 2HE LYS 46 3HE LYS 46 -13.088 4.557 -6.929 339 1HZ LYS 46 1HZ LYS 46 -15.114 3.350 -7.072 340 2HZ LYS 46 2HZ LYS 46 -14.050 2.656 -8.098 341 3HZ LYS 46 3HZ LYS 46 -14.395 1.939 -6.672 342 H ASP 47 HN ASP 47 -9.418 4.803 -3.985 343 HA ASP 47 HA ASP 47 -7.419 6.362 -3.199 344 1HB ASP 47 2HB ASP 47 -9.751 5.279 -1.562 345 2HB ASP 47 3HB ASP 47 -8.710 6.554 -0.962 346 H ALA 48 HN ALA 48 -8.108 3.016 -2.208 347 HA ALA 48 HA ALA 48 -6.902 2.707 0.169 348 1HB ALA 48 1HB ALA 48 -7.967 0.984 -1.412 349 2HB ALA 48 2HB ALA 48 -6.360 0.845 -2.164 350 3HB ALA 48 3HB ALA 48 -6.578 0.432 -0.446 351 H CYS 49 HN CYS 49 -5.063 2.175 -2.924 352 HA CYS 49 HA CYS 49 -2.647 2.825 -1.462 353 1HB CYS 49 2HB CYS 49 -3.129 1.653 -4.205 354 2HB CYS 49 3HB CYS 49 -1.539 2.092 -3.613 355 H LYS 50 HN LYS 50 -3.757 3.517 -4.857 356 HA LYS 50 HA LYS 50 -2.308 5.820 -5.176 357 1HB LYS 50 2HB LYS 50 -4.942 4.985 -6.423 358 2HB LYS 50 3HB LYS 50 -3.977 6.336 -6.982 359 1HG LYS 50 2HG LYS 50 -2.282 3.983 -6.664 360 2HG LYS 50 3HG LYS 50 -3.666 3.582 -7.661 361 1HD LYS 50 2HD LYS 50 -2.661 6.192 -8.450 362 2HD LYS 50 3HD LYS 50 -1.328 5.057 -8.414 363 1HE LYS 50 2HE LYS 50 -3.104 3.475 -9.684 364 2HE LYS 50 3HE LYS 50 -3.812 5.017 -10.124 365 1HZ LYS 50 1HZ LYS 50 -2.288 4.732 -11.756 366 2HZ LYS 50 2HZ LYS 50 -1.364 5.570 -10.701 367 3HZ LYS 50 3HZ LYS 50 -1.205 3.948 -10.818 368 H THR 51 HN THR 51 -2.256 7.380 -3.605 369 HA THR 51 HA THR 51 -4.212 9.288 -3.453 370 HB THR 51 HB THR 51 -4.733 6.898 -1.731 371 HG1 THR 51 HG1 THR 51 -6.022 8.052 -3.523 372 1HG2 THR 51 1HG THR 51 -4.603 9.720 -0.663 373 2HG2 THR 51 2HG THR 51 -6.016 8.732 -0.226 374 3HG2 THR 51 3HG THR 51 -4.379 8.181 0.201 375 H CYS 52 HN CYS 52 -2.312 7.522 -0.911 376 HA CYS 52 HA CYS 52 -1.212 10.033 -0.076 377 1HB CYS 52 2HB CYS 52 -1.591 8.697 1.742 378 2HB CYS 52 3HB CYS 52 -1.151 7.220 0.906 379 H HIS 53 HN HIS 53 -0.185 7.001 -1.752 380 HA HIS 53 HA HIS 53 2.487 7.352 -1.880 381 1HB HIS 53 2HB HIS 53 0.450 5.942 -3.398 382 2HB HIS 53 3HB HIS 53 1.758 6.463 -4.443 383 HD1 HIS 53 HD1 HIS 53 2.253 3.813 -4.640 384 HD2 HIS 53 HD2 HIS 53 3.003 5.566 -0.902 385 HE1 HIS 53 HE1 HIS 53 3.724 2.167 -3.360 386 H LYS 54 HN LYS 54 -0.034 9.278 -3.426 387 HA LYS 54 HA LYS 54 1.247 10.380 -5.548 388 1HB LYS 54 2HB LYS 54 -0.576 11.751 -3.548 389 2HB LYS 54 3HB LYS 54 -0.169 12.380 -5.131 390 1HG LYS 54 2HG LYS 54 -1.045 10.155 -6.103 391 2HG LYS 54 3HG LYS 54 -1.669 9.800 -4.505 392 1HD LYS 54 2HD LYS 54 -3.542 10.906 -5.210 393 2HD LYS 54 3HD LYS 54 -2.628 12.359 -4.858 394 1HE LYS 54 2HE LYS 54 -2.106 12.755 -7.121 395 2HE LYS 54 3HE LYS 54 -2.257 11.065 -7.563 396 1HZ LYS 54 1HZ LYS 54 -4.124 12.829 -8.048 397 2HZ LYS 54 2HZ LYS 54 -4.468 11.255 -7.784 398 3HZ LYS 54 3HZ LYS 54 -4.648 12.344 -6.580 399 H SER 55 HN SER 55 2.015 10.701 -2.130 400 HA SER 55 HA SER 55 3.761 12.931 -2.727 401 1HB SER 55 2HB SER 55 3.165 11.607 -0.043 402 2HB SER 55 3HB SER 55 4.031 13.112 -0.283 403 HG SER 55 HG SER 55 2.024 13.951 -1.308 404 H ASN 56 HN ASN 56 3.813 9.618 -1.234 405 HA ASN 56 HA ASN 56 6.691 9.638 -1.487 406 1HB ASN 56 2HB ASN 56 5.011 7.345 -0.388 407 2HB ASN 56 3HB ASN 56 6.675 7.740 -0.005 408 1HD2 ASN 56 1HD ASN 56 7.008 9.979 0.923 409 2HD2 ASN 56 2HD ASN 56 5.906 10.505 2.152 410 H ASN 57 HN ASN 57 7.676 8.564 -3.218 411 HA ASN 57 HA ASN 57 7.987 7.264 -4.925 412 1HB ASN 57 2HB ASN 57 5.626 5.680 -3.789 413 2HB ASN 57 3HB ASN 57 6.571 5.132 -5.160 414 1HD2 ASN 57 1HD ASN 57 6.484 5.697 -1.741 415 2HD2 ASN 57 2HD ASN 57 7.955 4.895 -1.307 416 H GLY 58 HN GLY 58 4.373 6.925 -4.557 417 1HA GLY 58 1HA GLY 58 2.660 7.518 -5.883 418 2HA GLY 58 2HA GLY 58 3.631 8.876 -6.414 419 HA PRO 59 HA PRO 59 4.065 5.203 -9.424 420 1HB PRO 59 2HB PRO 59 1.857 3.607 -9.647 421 2HB PRO 59 3HB PRO 59 3.260 3.175 -8.688 422 1HG PRO 59 2HG PRO 59 0.614 4.129 -7.777 423 2HG PRO 59 3HG PRO 59 1.858 3.302 -6.861 424 1HD PRO 59 2HD PRO 59 1.238 6.101 -6.775 425 2HD PRO 59 3HD PRO 59 2.556 5.293 -5.949 426 H THR 60 HN THR 60 3.318 4.898 -11.679 427 HA THR 60 HA THR 60 0.985 6.173 -12.539 428 HB THR 60 HB THR 60 3.458 7.884 -12.225 429 HG1 THR 60 HG1 THR 60 1.750 8.526 -10.925 430 1HG2 THR 60 1HG THR 60 3.322 8.610 -14.401 431 2HG2 THR 60 2HG THR 60 1.822 7.696 -14.687 432 3HG2 THR 60 3HG THR 60 1.752 9.308 -13.934 433 H LYS 61 HN LYS 61 4.375 5.221 -13.181 434 HA LYS 61 HA LYS 61 3.713 4.741 -15.962 435 1HB LYS 61 2HB LYS 61 6.343 3.889 -14.924 436 2HB LYS 61 3HB LYS 61 5.936 4.814 -16.356 437 1HG LYS 61 2HG LYS 61 5.266 6.692 -14.575 438 2HG LYS 61 3HG LYS 61 6.330 5.784 -13.519 439 1HD LYS 61 2HD LYS 61 8.189 6.005 -15.137 440 2HD LYS 61 3HD LYS 61 7.134 6.806 -16.284 441 1HE LYS 61 2HE LYS 61 7.236 8.820 -15.178 442 2HE LYS 61 3HE LYS 61 7.143 8.073 -13.595 443 1HZ LYS 61 1HZ LYS 61 9.282 8.627 -13.526 444 2HZ LYS 61 2HZ LYS 61 9.540 7.285 -14.418 445 3HZ LYS 61 3HZ LYS 61 9.453 8.744 -15.146 446 H CYS 62 HN CYS 62 2.466 3.268 -13.569 447 HA CYS 62 HA CYS 62 1.631 1.229 -13.363 448 1HB CYS 62 2HB CYS 62 2.275 1.097 -15.938 449 2HB CYS 62 3HB CYS 62 3.461 -0.048 -15.346 450 H GLY 63 HN GLY 63 5.173 0.985 -14.200 451 1HA GLY 63 1HA GLY 63 5.648 -0.850 -12.022 452 2HA GLY 63 2HA GLY 63 6.812 -0.213 -13.165 453 H GLY 64 HN GLY 64 4.519 1.430 -10.871 454 1HA GLY 64 1HA GLY 64 6.728 3.121 -9.968 455 2HA GLY 64 2HA GLY 64 5.015 3.372 -9.699 456 H CYS 65 HN CYS 65 4.245 0.795 -8.720 457 HA CYS 65 HA CYS 65 5.778 0.742 -6.223 458 1HB CYS 65 2HB CYS 65 3.645 -0.103 -5.191 459 2HB CYS 65 3HB CYS 65 3.665 1.583 -5.671 460 H HIS 66 HN HIS 66 3.968 -1.087 -8.749 461 HA HIS 66 HA HIS 66 4.458 -3.622 -7.669 462 1HB HIS 66 2HB HIS 66 3.479 -2.497 -10.237 463 2HB HIS 66 3HB HIS 66 4.135 -4.120 -10.313 464 HD1 HIS 66 HD1 HIS 66 3.099 -5.557 -7.935 465 HD2 HIS 66 HD2 HIS 66 0.784 -2.690 -9.938 466 HE1 HIS 66 HE1 HIS 66 0.669 -6.066 -7.349 467 H ILE 67 HN ILE 67 5.784 -5.338 -8.995 468 HA ILE 67 HA ILE 67 8.373 -4.108 -9.645 469 HB ILE 67 HB ILE 67 7.768 -6.672 -8.176 470 1HG1 ILE 67 2HG ILE 67 9.336 -4.242 -7.276 471 2HG1 ILE 67 3HG ILE 67 7.642 -4.496 -6.911 472 1HG2 ILE 67 1HG ILE 67 9.792 -7.486 -8.631 473 2HG2 ILE 67 2HG ILE 67 9.857 -6.294 -9.951 474 3HG2 ILE 67 3HG ILE 67 10.577 -5.910 -8.370 475 1HD1 ILE 67 1HD ILE 67 8.068 -6.345 -5.517 476 2HD1 ILE 67 2HD ILE 67 9.634 -6.689 -6.289 477 3HD1 ILE 67 3HD ILE 67 9.471 -5.298 -5.190 478 H LYS 68 HN LYS 68 8.045 -3.979 -11.882 479 HA LYS 68 HA LYS 68 7.977 -6.596 -13.182 480 1HB LYS 68 2HB LYS 68 5.905 -4.555 -13.319 481 2HB LYS 68 3HB LYS 68 6.578 -4.882 -14.903 482 1HG LYS 68 2HG LYS 68 6.351 -7.440 -14.061 483 2HG LYS 68 3HG LYS 68 5.112 -6.739 -13.038 484 1HD LYS 68 2HD LYS 68 5.172 -6.126 -16.014 485 2HD LYS 68 3HD LYS 68 4.449 -7.613 -15.431 486 1HE LYS 68 2HE LYS 68 2.595 -6.535 -14.644 487 2HE LYS 68 3HE LYS 68 3.548 -5.287 -13.864 488 1HZ LYS 68 1HZ LYS 68 3.611 -4.054 -15.792 489 2HZ LYS 68 2HZ LYS 68 3.240 -5.308 -16.769 490 3HZ LYS 68 3HZ LYS 68 2.089 -4.648 -15.817 491 HHA HEC 98 HGM HEC 98 -3.713 -5.311 8.398 492 HHB HEC 98 HDM HEC 98 -0.955 -2.739 13.372 493 HHC HEC 98 HAM HEC 98 2.083 1.242 9.495 494 HHD HEC 98 HBM HEC 98 -1.109 -1.143 4.706 495 1HMA HEC 98 1HM HEC 98 -1.252 -5.301 13.795 496 2HMA HEC 98 2HM HEC 98 -2.848 -4.558 14.054 497 3HMA HEC 98 3HM HEC 98 -2.732 -6.223 13.442 498 1HAA HEC 98 1HA HEC 98 -3.896 -6.907 11.727 499 2HAA HEC 98 2HA HEC 98 -4.466 -6.343 10.139 500 1HBA HEC 98 3HB HEC 98 -3.388 -8.281 9.403 501 2HBA HEC 98 4HB HEC 98 -1.959 -7.221 9.437 502 1HMB HEC 98 1HM HEC 98 -0.634 -0.548 14.539 503 2HMB HEC 98 2HM HEC 98 0.863 -1.495 14.706 504 3HMB HEC 98 3HM HEC 98 0.935 0.283 14.662 505 HAB HEC 98 HT2 HEC 98 2.648 1.739 11.360 506 1HBB HEC 98 1HT HEC 98 4.312 1.544 13.107 507 2HBB HEC 98 2HT HEC 98 3.541 0.020 13.608 508 3HBB HEC 98 3HT HEC 98 4.211 0.181 11.967 509 1HMC HEC 98 1HM HEC 98 2.105 2.978 7.898 510 2HMC HEC 98 2HM HEC 98 3.362 1.846 7.343 511 3HMC HEC 98 3HM HEC 98 2.410 2.768 6.157 512 HAC HEC 98 HT4 HEC 98 1.074 0.936 3.898 513 1HBC HEC 98 1HT HEC 98 0.499 3.267 5.664 514 2HBC HEC 98 2HT HEC 98 1.610 3.122 4.281 515 3HBC HEC 98 3HT HEC 98 -0.129 3.378 4.002 516 1HMD HEC 98 1HM HEC 98 -2.138 -3.480 3.144 517 2HMD HEC 98 2HM HEC 98 -3.848 -3.095 3.451 518 3HMD HEC 98 3HM HEC 98 -2.631 -1.795 3.443 519 1HAD HEC 98 1HA HEC 98 -3.907 -6.059 6.216 520 2HAD HEC 98 2HA HEC 98 -4.813 -4.978 5.132 521 1HBD HEC 98 3HB HEC 98 -2.285 -5.332 3.952 522 2HBD HEC 98 4HB HEC 98 -2.819 -6.939 4.504 523 HHA HEC 128 HGM HEC 128 8.504 2.823 -0.597 524 HHB HEC 128 HDM HEC 128 4.233 -1.012 -3.050 525 HHC HEC 128 HAM HEC 128 -0.222 1.963 0.330 526 HHD HEC 128 HBM HEC 128 4.107 5.981 2.313 527 1HMA HEC 128 1HM HEC 128 6.073 -2.008 -3.329 528 2HMA HEC 128 2HM HEC 128 7.464 -1.210 -4.101 529 3HMA HEC 128 3HM HEC 128 7.692 -2.148 -2.606 530 1HAA HEC 128 1HA HEC 128 9.498 0.003 -2.638 531 2HAA HEC 128 2HA HEC 128 9.555 1.531 -1.726 532 1HBA HEC 128 3HB HEC 128 9.206 0.092 0.416 533 2HBA HEC 128 4HB HEC 128 9.554 -1.324 -0.604 534 1HMB HEC 128 1HM HEC 128 2.519 -1.446 -4.030 535 2HMB HEC 128 2HM HEC 128 1.366 -2.394 -3.062 536 3HMB HEC 128 3HM HEC 128 0.779 -1.080 -4.109 537 HAB HEC 128 HT2 HEC 128 -1.232 0.752 -1.138 538 1HBB HEC 128 1HT HEC 128 -2.162 -1.404 -0.401 539 2HBB HEC 128 2HT HEC 128 -0.480 -1.967 -0.240 540 3HBB HEC 128 3HT HEC 128 -1.040 -0.556 0.689 541 1HMC HEC 128 1HM HEC 128 -1.478 4.239 0.933 542 2HMC HEC 128 2HM HEC 128 -1.195 2.952 2.130 543 3HMC HEC 128 3HM HEC 128 -1.174 4.657 2.636 544 HAC HEC 128 HT4 HEC 128 2.154 6.744 2.988 545 1HBC HEC 128 1HT HEC 128 -0.815 6.716 3.209 546 2HBC HEC 128 2HT HEC 128 0.032 5.401 4.058 547 3HBC HEC 128 3HT HEC 128 0.423 7.097 4.430 548 1HMD HEC 128 1HM HEC 128 7.224 7.526 1.908 549 2HMD HEC 128 2HM HEC 128 5.591 7.284 2.574 550 3HMD HEC 128 3HM HEC 128 7.003 6.589 3.404 551 1HAD HEC 128 1HA HEC 128 9.122 4.986 2.441 552 2HAD HEC 128 2HA HEC 128 9.521 4.213 0.888 553 1HBD HEC 128 3HB HEC 128 8.741 6.639 0.016 554 2HBD HEC 128 4HB HEC 128 9.377 7.070 1.622 555 HHA HEC 158 HGM HEC 158 -2.800 -7.250 -6.743 556 HHB HEC 158 HDM HEC 158 -1.640 -6.163 -12.780 557 HHC HEC 158 HAM HEC 158 -0.286 -0.150 -11.326 558 HHD HEC 158 HBM HEC 158 -1.038 -1.541 -5.300 559 1HMA HEC 158 1HM HEC 158 -3.183 -7.839 -12.732 560 2HMA HEC 158 2HM HEC 158 -2.189 -9.110 -11.982 561 3HMA HEC 158 3HM HEC 158 -3.927 -9.010 -11.616 562 1HAA HEC 158 1HA HEC 158 -3.448 -8.829 -7.600 563 2HAA HEC 158 2HA HEC 158 -4.784 -8.836 -8.776 564 1HBA HEC 158 3HB HEC 158 -2.412 -9.914 -10.073 565 2HBA HEC 158 4HB HEC 158 -2.643 -10.766 -8.527 566 1HMB HEC 158 1HM HEC 158 0.522 -4.870 -14.527 567 2HMB HEC 158 2HM HEC 158 -1.206 -5.282 -14.625 568 3HMB HEC 158 3HM HEC 158 -0.602 -3.792 -15.388 569 HAB HEC 158 HT2 HEC 158 0.838 -0.908 -13.650 570 1HBB HEC 158 1HT HEC 158 -1.211 0.526 -14.635 571 2HBB HEC 158 2HT HEC 158 -1.855 -0.117 -13.106 572 3HBB HEC 158 3HT HEC 158 -0.322 0.786 -13.116 573 1HMC HEC 158 1HM HEC 158 0.440 2.403 -8.764 574 2HMC HEC 158 2HM HEC 158 1.054 1.495 -10.166 575 3HMC HEC 158 3HM HEC 158 -0.643 2.029 -10.125 576 HAC HEC 158 HT4 HEC 158 0.108 0.279 -5.403 577 1HBC HEC 158 1HT HEC 158 -1.432 2.056 -5.640 578 2HBC HEC 158 2HT HEC 158 0.139 2.873 -5.464 579 3HBC HEC 158 3HT HEC 158 -0.603 2.708 -7.073 580 1HMD HEC 158 1HM HEC 158 -1.395 -2.149 -3.481 581 2HMD HEC 158 2HM HEC 158 -2.584 -3.307 -2.842 582 3HMD HEC 158 3HM HEC 158 -0.853 -3.719 -2.841 583 1HAD HEC 158 1HA HEC 158 -2.892 -5.567 -3.077 584 2HAD HEC 158 2HA HEC 158 -4.074 -6.092 -4.299 585 1HBD HEC 158 3HB HEC 158 -1.827 -7.510 -4.993 586 2HBD HEC 158 4HB HEC 158 -1.740 -7.471 -3.215 Start of MODEL 35 1 H ALA 1 HN ALA 1 12.161 -7.511 7.446 2 HA ALA 1 HA ALA 1 11.411 -5.651 9.247 3 1HB ALA 1 1HB ALA 1 12.078 -5.587 6.672 4 2HB ALA 1 2HB ALA 1 10.316 -5.448 6.455 5 3HB ALA 1 3HB ALA 1 11.192 -4.239 7.425 6 H ASP 2 HN ASP 2 8.945 -4.639 7.652 7 HA ASP 2 HA ASP 2 7.049 -6.266 9.153 8 1HB ASP 2 2HB ASP 2 7.539 -3.511 9.275 9 2HB ASP 2 3HB ASP 2 6.139 -3.605 8.227 10 H VAL 3 HN VAL 3 8.217 -5.339 6.060 11 HA VAL 3 HA VAL 3 6.186 -4.876 4.411 12 HB VAL 3 HB VAL 3 7.419 -5.970 2.700 13 1HG1 VAL 3 1HG VAL 3 8.485 -4.058 4.275 14 2HG1 VAL 3 2HG VAL 3 9.723 -5.324 4.468 15 3HG1 VAL 3 3HG VAL 3 9.313 -4.720 2.845 16 1HG2 VAL 3 1HG VAL 3 9.339 -7.366 4.483 17 2HG2 VAL 3 2HG VAL 3 7.708 -8.073 4.381 18 3HG2 VAL 3 3HG VAL 3 8.674 -7.848 2.903 19 H VAL 4 HN VAL 4 4.639 -6.126 3.172 20 HA VAL 4 HA VAL 4 3.939 -8.656 4.495 21 HB VAL 4 HB VAL 4 2.000 -6.659 3.327 22 1HG1 VAL 4 1HG VAL 4 0.308 -8.011 4.080 23 2HG1 VAL 4 2HG VAL 4 1.544 -9.248 3.743 24 3HG1 VAL 4 3HG VAL 4 1.283 -8.683 5.410 25 1HG2 VAL 4 1HG VAL 4 2.652 -7.028 6.267 26 2HG2 VAL 4 2HG VAL 4 3.282 -5.700 5.261 27 3HG2 VAL 4 3HG VAL 4 1.531 -5.851 5.541 28 H THR 5 HN THR 5 5.507 -9.414 2.729 29 HA THR 5 HA THR 5 5.254 -9.169 0.081 30 HB THR 5 HB THR 5 5.635 -11.716 1.741 31 HG1 THR 5 HG1 THR 5 7.801 -10.959 1.627 32 1HG2 THR 5 1HG THR 5 6.794 -11.178 -1.018 33 2HG2 THR 5 2HG THR 5 6.646 -12.729 -0.158 34 3HG2 THR 5 3HG THR 5 5.203 -11.960 -0.860 35 H TYR 6 HN TYR 6 3.699 -9.245 -1.404 36 HA TYR 6 HA TYR 6 1.476 -11.099 -0.900 37 1HB TYR 6 2HB TYR 6 1.645 -8.131 -1.570 38 2HB TYR 6 3HB TYR 6 0.308 -9.033 -2.254 39 HD1 TYR 6 HD1 TYR 6 -0.430 -10.876 -0.079 40 HD2 TYR 6 HD2 TYR 6 0.741 -6.765 0.089 41 HE1 TYR 6 HE1 TYR 6 -1.727 -10.587 2.089 42 HE2 TYR 6 HE2 TYR 6 -0.560 -6.490 2.256 43 HH TYR 6 HH TYR 6 -1.613 -9.082 4.066 44 H GLU 7 HN GLU 7 2.173 -12.671 -2.378 45 HA GLU 7 HA GLU 7 3.167 -11.948 -4.900 46 1HB GLU 7 2HB GLU 7 2.030 -14.610 -3.932 47 2HB GLU 7 3HB GLU 7 2.975 -14.388 -5.391 48 1HG GLU 7 2HG GLU 7 4.955 -14.264 -4.245 49 2HG GLU 7 3HG GLU 7 4.280 -13.246 -2.990 50 H ASN 8 HN ASN 8 2.139 -12.483 -7.027 51 HA ASN 8 HA ASN 8 -0.684 -12.843 -7.008 52 1HB ASN 8 2HB ASN 8 -1.089 -10.717 -8.373 53 2HB ASN 8 3HB ASN 8 -0.704 -10.430 -6.687 54 1HD2 ASN 8 1HD ASN 8 1.271 -9.587 -6.089 55 2HD2 ASN 8 2HD ASN 8 2.361 -8.825 -7.200 56 H LYS 9 HN LYS 9 -1.454 -12.671 -9.493 57 HA LYS 9 HA LYS 9 0.166 -14.390 -10.976 58 1HB LYS 9 2HB LYS 9 -2.406 -13.825 -11.063 59 2HB LYS 9 3HB LYS 9 -1.913 -12.646 -12.262 60 1HG LYS 9 2HG LYS 9 -1.476 -14.248 -13.831 61 2HG LYS 9 3HG LYS 9 -0.619 -15.262 -12.688 62 1HD LYS 9 2HD LYS 9 -2.750 -16.136 -11.794 63 2HD LYS 9 3HD LYS 9 -3.662 -15.040 -12.813 64 1HE LYS 9 2HE LYS 9 -2.558 -16.149 -14.842 65 2HE LYS 9 3HE LYS 9 -1.881 -17.337 -13.746 66 1HZ LYS 9 1HZ LYS 9 -4.644 -16.996 -13.298 67 2HZ LYS 9 2HZ LYS 9 -4.357 -17.395 -14.856 68 3HZ LYS 9 3HZ LYS 9 -3.817 -18.359 -13.654 69 H LYS 10 HN LYS 10 -0.401 -10.819 -11.224 70 HA LYS 10 HA LYS 10 1.145 -10.337 -13.432 71 1HB LYS 10 2HB LYS 10 0.052 -8.810 -11.188 72 2HB LYS 10 3HB LYS 10 1.556 -8.136 -11.781 73 1HG LYS 10 2HG LYS 10 -0.698 -8.937 -13.669 74 2HG LYS 10 3HG LYS 10 -0.630 -7.347 -12.933 75 1HD LYS 10 2HD LYS 10 1.149 -6.664 -14.232 76 2HD LYS 10 3HD LYS 10 1.923 -8.236 -14.190 77 1HE LYS 10 2HE LYS 10 0.928 -8.915 -16.138 78 2HE LYS 10 3HE LYS 10 -0.636 -8.273 -15.675 79 1HZ LYS 10 1HZ LYS 10 -0.055 -6.181 -16.439 80 2HZ LYS 10 2HZ LYS 10 1.548 -6.496 -16.472 81 3HZ LYS 10 3HZ LYS 10 0.559 -7.176 -17.580 82 H GLY 11 HN GLY 11 2.466 -9.195 -10.307 83 1HA GLY 11 1HA GLY 11 4.917 -10.754 -10.821 84 2HA GLY 11 2HA GLY 11 4.996 -9.017 -10.608 85 H ASN 12 HN ASN 12 4.921 -8.115 -8.540 86 HA ASN 12 HA ASN 12 3.925 -9.666 -6.379 87 1HB ASN 12 2HB ASN 12 6.853 -9.488 -6.940 88 2HB ASN 12 3HB ASN 12 6.417 -9.062 -5.296 89 1HD2 ASN 12 1HD ASN 12 5.575 -10.565 -3.912 90 2HD2 ASN 12 2HD ASN 12 5.551 -12.269 -4.226 91 H VAL 13 HN VAL 13 3.009 -8.134 -4.992 92 HA VAL 13 HA VAL 13 3.982 -5.382 -5.258 93 HB VAL 13 HB VAL 13 1.622 -5.916 -5.846 94 1HG1 VAL 13 1HG VAL 13 1.009 -6.193 -2.918 95 2HG1 VAL 13 2HG VAL 13 0.057 -6.703 -4.333 96 3HG1 VAL 13 3HG VAL 13 1.503 -7.624 -3.854 97 1HG2 VAL 13 1HG VAL 13 2.661 -3.746 -4.475 98 2HG2 VAL 13 2HG VAL 13 1.073 -3.818 -5.274 99 3HG2 VAL 13 3HG VAL 13 1.209 -4.165 -3.533 100 H THR 14 HN THR 14 5.629 -7.089 -3.789 101 HA THR 14 HA THR 14 5.153 -7.528 -1.164 102 HB THR 14 HB THR 14 7.622 -6.572 -2.683 103 HG1 THR 14 HG1 THR 14 6.534 -9.016 -1.479 104 1HG2 THR 14 1HG THR 14 7.941 -8.026 -0.093 105 2HG2 THR 14 2HG THR 14 8.951 -6.742 -0.799 106 3HG2 THR 14 3HG THR 14 7.453 -6.322 0.066 107 H PHE 15 HN PHE 15 3.890 -6.210 0.061 108 HA PHE 15 HA PHE 15 3.905 -3.454 -0.035 109 1HB PHE 15 2HB PHE 15 3.011 -5.698 1.711 110 2HB PHE 15 3HB PHE 15 3.321 -4.240 2.630 111 HD1 PHE 15 HD1 PHE 15 1.748 -4.959 -0.689 112 HD2 PHE 15 HD2 PHE 15 1.395 -3.085 3.101 113 HE1 PHE 15 HE1 PHE 15 -0.505 -4.067 -1.340 114 HE2 PHE 15 HE2 PHE 15 -0.860 -2.194 2.450 115 HZ PHE 15 HZ PHE 15 -1.782 -2.696 0.237 116 H ASP 16 HN ASP 16 4.256 -2.518 2.602 117 HA ASP 16 HA ASP 16 6.839 -3.236 3.506 118 1HB ASP 16 2HB ASP 16 6.400 -0.746 1.858 119 2HB ASP 16 3HB ASP 16 7.497 -0.639 3.221 120 H HIS 17 HN HIS 17 5.817 -3.417 5.580 121 HA HIS 17 HA HIS 17 4.255 -1.171 6.514 122 1HB HIS 17 2HB HIS 17 4.587 -4.015 7.232 123 2HB HIS 17 3HB HIS 17 4.380 -2.941 8.601 124 HD1 HIS 17 HD1 HIS 17 2.667 -2.736 5.176 125 HD2 HIS 17 HD2 HIS 17 1.736 -3.288 9.229 126 HE1 HIS 17 HE1 HIS 17 0.121 -2.772 5.326 127 H LYS 18 HN LYS 18 7.393 -2.813 7.075 128 HA LYS 18 HA LYS 18 8.073 -1.423 9.403 129 1HB LYS 18 2HB LYS 18 9.307 -3.351 8.983 130 2HB LYS 18 3HB LYS 18 9.585 -2.947 7.300 131 1HG LYS 18 2HG LYS 18 11.593 -2.084 7.905 132 2HG LYS 18 3HG LYS 18 10.737 -0.796 8.730 133 1HD LYS 18 2HD LYS 18 10.963 -1.790 10.833 134 2HD LYS 18 3HD LYS 18 10.989 -3.418 10.185 135 1HE LYS 18 2HE LYS 18 13.284 -1.784 9.269 136 2HE LYS 18 3HE LYS 18 13.225 -1.956 11.012 137 1HZ LYS 18 1HZ LYS 18 14.302 -3.759 9.498 138 2HZ LYS 18 2HZ LYS 18 13.520 -4.175 10.870 139 3HZ LYS 18 3HZ LYS 18 12.776 -4.336 9.425 140 H ALA 19 HN ALA 19 9.745 -0.924 6.235 141 HA ALA 19 HA ALA 19 10.819 1.469 6.681 142 1HB ALA 19 1HB ALA 19 11.043 1.640 4.373 143 2HB ALA 19 2HB ALA 19 10.663 -0.090 4.549 144 3HB ALA 19 3HB ALA 19 9.390 1.055 4.062 145 H HIS 20 HN HIS 20 7.396 0.908 5.635 146 HA HIS 20 HA HIS 20 6.738 3.621 5.543 147 1HB HIS 20 2HB HIS 20 5.070 1.119 5.875 148 2HB HIS 20 3HB HIS 20 4.367 2.717 5.725 149 HD1 HIS 20 HD1 HIS 20 7.289 1.252 3.721 150 HD2 HIS 20 HD2 HIS 20 3.384 2.682 3.167 151 HE1 HIS 20 HE1 HIS 20 6.886 1.271 1.202 152 H ALA 21 HN ALA 21 5.697 1.164 8.020 153 HA ALA 21 HA ALA 21 4.655 2.800 9.866 154 1HB ALA 21 1HB ALA 21 5.456 1.103 11.546 155 2HB ALA 21 2HB ALA 21 4.687 0.390 10.108 156 3HB ALA 21 3HB ALA 21 6.460 0.383 10.266 157 H GLU 22 HN GLU 22 8.118 2.378 9.082 158 HA GLU 22 HA GLU 22 9.128 3.639 11.323 159 1HB GLU 22 2HB GLU 22 10.294 3.624 8.504 160 2HB GLU 22 3HB GLU 22 11.185 3.918 9.983 161 1HG GLU 22 2HG GLU 22 9.680 1.429 10.220 162 2HG GLU 22 3HG GLU 22 10.643 1.401 8.756 163 H LYS 23 HN LYS 23 8.137 4.933 8.092 164 HA LYS 23 HA LYS 23 8.693 7.628 9.002 165 1HB LYS 23 2HB LYS 23 8.269 6.269 6.410 166 2HB LYS 23 3HB LYS 23 7.579 7.876 6.518 167 1HG LYS 23 2HG LYS 23 10.235 7.863 7.726 168 2HG LYS 23 3HG LYS 23 10.317 7.190 6.110 169 1HD LYS 23 2HD LYS 23 9.704 9.182 5.089 170 2HD LYS 23 3HD LYS 23 8.655 9.666 6.407 171 1HE LYS 23 2HE LYS 23 10.554 11.167 6.433 172 2HE LYS 23 3HE LYS 23 10.726 10.106 7.816 173 1HZ LYS 23 1HZ LYS 23 12.452 10.413 5.652 174 2HZ LYS 23 2HZ LYS 23 12.665 9.516 7.001 175 3HZ LYS 23 3HZ LYS 23 11.950 8.859 5.688 176 H LEU 24 HN LEU 24 5.881 5.663 7.815 177 HA LEU 24 HA LEU 24 4.012 7.692 8.413 178 1HB LEU 24 2HB LEU 24 3.659 4.723 7.977 179 2HB LEU 24 3HB LEU 24 2.357 5.894 8.052 180 HG LEU 24 HG LEU 24 3.304 7.044 6.061 181 1HD1 LEU 24 1HD LEU 24 5.599 6.558 6.102 182 2HD1 LEU 24 2HD LEU 24 5.319 4.804 6.212 183 3HD1 LEU 24 3HD LEU 24 4.968 5.668 4.696 184 1HD2 LEU 24 1HD LEU 24 1.610 5.024 6.102 185 2HD2 LEU 24 2HD LEU 24 2.235 5.676 4.567 186 3HD2 LEU 24 3HD LEU 24 2.933 4.188 5.252 187 H GLY 25 HN GLY 25 2.919 4.751 9.789 188 1HA GLY 25 1HA GLY 25 3.762 4.412 12.253 189 2HA GLY 25 2HA GLY 25 2.989 5.972 12.446 190 H CYS 26 HN CYS 26 2.023 3.216 10.305 191 HA CYS 26 HA CYS 26 0.244 1.923 10.287 192 1HB CYS 26 2HB CYS 26 -0.905 2.666 12.895 193 2HB CYS 26 3HB CYS 26 -0.604 1.088 12.195 194 H ASP 27 HN ASP 27 -0.448 5.020 12.071 195 HA ASP 27 HA ASP 27 -3.026 5.312 11.218 196 1HB ASP 27 2HB ASP 27 -0.839 7.176 12.117 197 2HB ASP 27 3HB ASP 27 -2.258 7.907 11.392 198 H ALA 28 HN ALA 28 -2.485 4.405 8.884 199 HA ALA 28 HA ALA 28 -2.378 6.685 7.108 200 1HB ALA 28 1HB ALA 28 -0.211 4.630 7.356 201 2HB ALA 28 2HB ALA 28 -0.674 5.151 5.717 202 3HB ALA 28 3HB ALA 28 -0.109 6.349 6.905 203 H CYS 29 HN CYS 29 -2.546 3.100 7.552 204 HA CYS 29 HA CYS 29 -4.398 3.029 5.294 205 1HB CYS 29 2HB CYS 29 -2.841 0.816 6.644 206 2HB CYS 29 3HB CYS 29 -4.028 0.562 5.381 207 H HIS 30 HN HIS 30 -4.004 2.731 8.782 208 HA HIS 30 HA HIS 30 -6.656 1.547 9.020 209 1HB HIS 30 2HB HIS 30 -5.040 2.095 11.444 210 2HB HIS 30 3HB HIS 30 -6.027 0.706 11.033 211 HD1 HIS 30 HD1 HIS 30 -2.650 2.214 10.017 212 HD2 HIS 30 HD2 HIS 30 -4.579 -1.500 10.304 213 HE1 HIS 30 HE1 HIS 30 -0.890 0.450 9.470 214 H GLU 31 HN GLU 31 -7.516 2.570 11.450 215 HA GLU 31 HA GLU 31 -7.216 5.365 11.545 216 1HB GLU 31 2HB GLU 31 -9.251 4.325 9.754 217 2HB GLU 31 3HB GLU 31 -10.028 5.176 11.074 218 1HG GLU 31 2HG GLU 31 -9.187 7.226 10.435 219 2HG GLU 31 3HG GLU 31 -7.640 6.562 9.949 220 H GLY 32 HN GLY 32 -6.691 3.791 13.574 221 1HA GLY 32 1HA GLY 32 -7.300 3.963 15.826 222 2HA GLY 32 2HA GLY 32 -8.985 4.129 15.373 223 H THR 33 HN THR 33 -6.390 1.911 16.160 224 HA THR 33 HA THR 33 -6.394 -0.255 16.669 225 HB THR 33 HB THR 33 -9.438 -0.143 16.372 226 HG1 THR 33 HG1 THR 33 -9.304 0.708 18.528 227 1HG2 THR 33 1HG THR 33 -8.204 -1.547 18.660 228 2HG2 THR 33 2HG THR 33 -9.459 -2.120 17.536 229 3HG2 THR 33 3HG THR 33 -7.738 -2.264 17.099 230 HA PRO 34 HA PRO 34 -6.334 -1.605 12.499 231 1HB PRO 34 2HB PRO 34 -4.113 -3.179 12.728 232 2HB PRO 34 3HB PRO 34 -4.041 -1.475 12.326 233 1HG PRO 34 2HG PRO 34 -3.396 -2.804 14.887 234 2HG PRO 34 3HG PRO 34 -2.939 -1.205 14.334 235 1HD PRO 34 2HD PRO 34 -4.990 -1.843 16.234 236 2HD PRO 34 3HD PRO 34 -4.611 -0.257 15.594 237 H ALA 35 HN ALA 35 -5.962 -3.942 11.464 238 HA ALA 35 HA ALA 35 -6.536 -6.162 12.950 239 1HB ALA 35 1HB ALA 35 -8.747 -4.428 13.012 240 2HB ALA 35 2HB ALA 35 -9.170 -5.663 11.802 241 3HB ALA 35 3HB ALA 35 -8.729 -6.152 13.456 242 H LYS 36 HN LYS 36 -7.622 -4.383 9.981 243 HA LYS 36 HA LYS 36 -6.097 -5.874 8.242 244 1HB LYS 36 2HB LYS 36 -7.389 -7.602 7.420 245 2HB LYS 36 3HB LYS 36 -7.723 -7.692 9.137 246 1HG LYS 36 2HG LYS 36 -9.930 -7.446 8.694 247 2HG LYS 36 3HG LYS 36 -9.609 -5.827 8.104 248 1HD LYS 36 2HD LYS 36 -8.804 -7.687 6.048 249 2HD LYS 36 3HD LYS 36 -10.402 -8.156 6.595 250 1HE LYS 36 2HE LYS 36 -9.946 -5.221 6.136 251 2HE LYS 36 3HE LYS 36 -9.994 -6.238 4.711 252 1HZ LYS 36 1HZ LYS 36 -12.157 -5.303 5.641 253 2HZ LYS 36 2HZ LYS 36 -12.140 -6.863 5.156 254 3HZ LYS 36 3HZ LYS 36 -12.065 -6.502 6.747 255 H ILE 37 HN ILE 37 -7.053 -5.621 5.871 256 HA ILE 37 HA ILE 37 -8.835 -3.351 5.684 257 HB ILE 37 HB ILE 37 -6.187 -3.102 4.315 258 1HG1 ILE 37 2HG ILE 37 -6.772 -2.265 7.169 259 2HG1 ILE 37 3HG ILE 37 -5.579 -3.435 6.642 260 1HG2 ILE 37 1HG ILE 37 -7.038 -1.180 3.607 261 2HG2 ILE 37 2HG ILE 37 -8.584 -1.623 4.369 262 3HG2 ILE 37 3HG ILE 37 -7.388 -0.668 5.276 263 1HD1 ILE 37 1HD ILE 37 -4.818 -1.305 5.111 264 2HD1 ILE 37 2HD ILE 37 -5.500 -0.454 6.519 265 3HD1 ILE 37 3HD ILE 37 -4.173 -1.619 6.741 266 H ALA 38 HN ALA 38 -9.720 -3.097 3.533 267 HA ALA 38 HA ALA 38 -9.749 -5.618 2.134 268 1HB ALA 38 1HB ALA 38 -11.611 -4.634 0.927 269 2HB ALA 38 2HB ALA 38 -11.803 -4.263 2.657 270 3HB ALA 38 3HB ALA 38 -11.207 -3.013 1.539 271 H ILE 39 HN ILE 39 -7.791 -5.915 1.062 272 HA ILE 39 HA ILE 39 -7.074 -3.776 -0.819 273 HB ILE 39 HB ILE 39 -5.356 -5.826 0.578 274 1HG1 ILE 39 2HG ILE 39 -6.024 -3.891 1.952 275 2HG1 ILE 39 3HG ILE 39 -4.300 -3.933 1.641 276 1HG2 ILE 39 1HG ILE 39 -4.963 -4.527 -1.964 277 2HG2 ILE 39 2HG ILE 39 -3.740 -3.976 -0.795 278 3HG2 ILE 39 3HG ILE 39 -3.938 -5.714 -1.124 279 1HD1 ILE 39 1HD ILE 39 -5.479 -2.458 -0.514 280 2HD1 ILE 39 2HD ILE 39 -6.190 -1.845 1.000 281 3HD1 ILE 39 3HD ILE 39 -4.422 -1.845 0.782 282 H ASP 40 HN ASP 40 -8.021 -4.267 -2.742 283 HA ASP 40 HA ASP 40 -7.213 -6.715 -3.952 284 1HB ASP 40 2HB ASP 40 -9.649 -7.247 -4.614 285 2HB ASP 40 3HB ASP 40 -9.174 -7.643 -2.975 286 H LYS 41 HN LYS 41 -8.695 -6.721 -6.263 287 HA LYS 41 HA LYS 41 -7.896 -4.326 -7.536 288 1HB LYS 41 2HB LYS 41 -7.879 -6.567 -8.598 289 2HB LYS 41 3HB LYS 41 -9.631 -6.595 -8.556 290 1HG LYS 41 2HG LYS 41 -9.450 -4.276 -9.817 291 2HG LYS 41 3HG LYS 41 -7.813 -4.786 -10.176 292 1HD LYS 41 2HD LYS 41 -10.037 -6.758 -10.683 293 2HD LYS 41 3HD LYS 41 -9.879 -5.408 -11.788 294 1HE LYS 41 2HE LYS 41 -7.236 -6.273 -11.522 295 2HE LYS 41 3HE LYS 41 -8.132 -7.778 -11.453 296 1HZ LYS 41 1HZ LYS 41 -9.264 -6.290 -13.461 297 2HZ LYS 41 2HZ LYS 41 -7.651 -6.141 -13.666 298 3HZ LYS 41 3HZ LYS 41 -8.336 -7.624 -13.623 299 H LYS 42 HN LYS 42 -9.133 -2.956 -5.853 300 HA LYS 42 HA LYS 42 -11.382 -1.880 -7.164 301 1HB LYS 42 2HB LYS 42 -12.397 -3.946 -6.134 302 2HB LYS 42 3HB LYS 42 -12.023 -3.282 -4.556 303 1HG LYS 42 2HG LYS 42 -13.417 -1.305 -4.990 304 2HG LYS 42 3HG LYS 42 -13.676 -1.798 -6.652 305 1HD LYS 42 2HD LYS 42 -14.896 -3.815 -5.908 306 2HD LYS 42 3HD LYS 42 -14.549 -3.445 -4.230 307 1HE LYS 42 2HE LYS 42 -15.765 -1.185 -4.639 308 2HE LYS 42 3HE LYS 42 -16.327 -1.877 -6.147 309 1HZ LYS 42 1HZ LYS 42 -17.449 -2.228 -3.707 310 2HZ LYS 42 2HZ LYS 42 -17.799 -3.081 -5.056 311 3HZ LYS 42 3HZ LYS 42 -16.706 -3.656 -3.987 312 H SER 43 HN SER 43 -9.951 -2.319 -3.851 313 HA SER 43 HA SER 43 -10.042 0.574 -3.614 314 1HB SER 43 2HB SER 43 -10.822 -1.378 -1.838 315 2HB SER 43 3HB SER 43 -9.190 -1.072 -1.278 316 HG SER 43 HG SER 43 -10.664 0.340 -0.208 317 H ALA 44 HN ALA 44 -7.903 -2.280 -3.698 318 HA ALA 44 HA ALA 44 -5.573 -1.008 -2.781 319 1HB ALA 44 1HB ALA 44 -6.289 -3.555 -3.273 320 2HB ALA 44 2HB ALA 44 -5.418 -3.220 -4.789 321 3HB ALA 44 3HB ALA 44 -4.588 -3.035 -3.226 322 H HIS 45 HN HIS 45 -7.472 -0.479 -5.564 323 HA HIS 45 HA HIS 45 -5.144 0.676 -6.920 324 1HB HIS 45 2HB HIS 45 -7.448 -0.915 -7.961 325 2HB HIS 45 3HB HIS 45 -6.853 0.398 -8.960 326 HD1 HIS 45 HD1 HIS 45 -5.879 -1.196 -10.754 327 HD2 HIS 45 HD2 HIS 45 -4.276 -1.770 -6.920 328 HE1 HIS 45 HE1 HIS 45 -3.849 -2.714 -11.047 329 H LYS 46 HN LYS 46 -7.518 1.483 -4.896 330 HA LYS 46 HA LYS 46 -7.836 4.087 -6.147 331 1HB LYS 46 2HB LYS 46 -10.166 2.364 -5.259 332 2HB LYS 46 3HB LYS 46 -10.281 4.080 -5.589 333 1HG LYS 46 2HG LYS 46 -9.052 3.310 -7.885 334 2HG LYS 46 3HG LYS 46 -9.853 1.799 -7.500 335 1HD LYS 46 2HD LYS 46 -11.763 2.649 -8.377 336 2HD LYS 46 3HD LYS 46 -11.823 3.783 -7.041 337 1HE LYS 46 2HE LYS 46 -10.080 4.379 -9.455 338 2HE LYS 46 3HE LYS 46 -11.802 4.701 -9.517 339 1HZ LYS 46 1HZ LYS 46 -10.266 6.514 -8.682 340 2HZ LYS 46 2HZ LYS 46 -11.630 6.236 -7.827 341 3HZ LYS 46 3HZ LYS 46 -10.196 5.677 -7.281 342 H ASP 47 HN ASP 47 -10.068 3.876 -3.693 343 HA ASP 47 HA ASP 47 -9.097 5.559 -2.007 344 1HB ASP 47 2HB ASP 47 -10.514 2.941 -1.475 345 2HB ASP 47 3HB ASP 47 -10.016 3.910 -0.102 346 H ALA 48 HN ALA 48 -8.641 2.043 -1.163 347 HA ALA 48 HA ALA 48 -6.866 2.038 0.722 348 1HB ALA 48 1HB ALA 48 -6.312 -0.089 0.052 349 2HB ALA 48 2HB ALA 48 -7.682 0.186 -1.051 350 3HB ALA 48 3HB ALA 48 -6.013 0.400 -1.632 351 H CYS 49 HN CYS 49 -5.467 1.938 -2.624 352 HA CYS 49 HA CYS 49 -3.211 3.441 -1.573 353 1HB CYS 49 2HB CYS 49 -3.509 1.993 -4.212 354 2HB CYS 49 3HB CYS 49 -2.048 2.751 -3.608 355 H LYS 50 HN LYS 50 -2.949 3.941 -4.775 356 HA LYS 50 HA LYS 50 -3.023 5.921 -5.852 357 1HB LYS 50 2HB LYS 50 -5.907 5.027 -5.642 358 2HB LYS 50 3HB LYS 50 -5.385 6.324 -6.698 359 1HG LYS 50 2HG LYS 50 -3.554 4.472 -7.435 360 2HG LYS 50 3HG LYS 50 -4.799 3.376 -6.874 361 1HD LYS 50 2HD LYS 50 -5.490 3.626 -9.076 362 2HD LYS 50 3HD LYS 50 -6.398 4.935 -8.347 363 1HE LYS 50 2HE LYS 50 -3.645 5.718 -9.132 364 2HE LYS 50 3HE LYS 50 -4.627 5.193 -10.486 365 1HZ LYS 50 1HZ LYS 50 -5.898 6.977 -8.614 366 2HZ LYS 50 2HZ LYS 50 -4.710 7.625 -9.527 367 3HZ LYS 50 3HZ LYS 50 -6.003 6.929 -10.243 368 H THR 51 HN THR 51 -2.739 6.338 -3.012 369 HA THR 51 HA THR 51 -4.100 8.933 -2.839 370 HB THR 51 HB THR 51 -4.203 8.283 -0.269 371 HG1 THR 51 HG1 THR 51 -2.936 6.248 -1.000 372 1HG2 THR 51 1HG THR 51 -5.990 7.220 -2.488 373 2HG2 THR 51 2HG THR 51 -6.302 6.756 -0.797 374 3HG2 THR 51 3HG THR 51 -6.350 8.470 -1.272 375 H CYS 52 HN CYS 52 -2.299 7.827 -0.094 376 HA CYS 52 HA CYS 52 -0.472 9.919 -0.362 377 1HB CYS 52 2HB CYS 52 -0.894 9.246 1.816 378 2HB CYS 52 3HB CYS 52 -0.716 7.542 1.446 379 H HIS 53 HN HIS 53 0.887 9.935 -2.154 380 HA HIS 53 HA HIS 53 3.112 8.430 -2.282 381 1HB HIS 53 2HB HIS 53 0.821 6.911 -3.273 382 2HB HIS 53 3HB HIS 53 2.079 7.070 -4.482 383 HD1 HIS 53 HD1 HIS 53 2.679 4.536 -4.287 384 HD2 HIS 53 HD2 HIS 53 3.190 6.714 -0.739 385 HE1 HIS 53 HE1 HIS 53 4.023 3.039 -2.717 386 H LYS 54 HN LYS 54 0.414 9.735 -4.293 387 HA LYS 54 HA LYS 54 2.270 10.708 -6.264 388 1HB LYS 54 2HB LYS 54 -0.728 11.015 -5.936 389 2HB LYS 54 3HB LYS 54 0.188 11.662 -7.283 390 1HG LYS 54 2HG LYS 54 1.054 9.300 -7.727 391 2HG LYS 54 3HG LYS 54 -0.051 8.721 -6.497 392 1HD LYS 54 2HD LYS 54 -1.569 8.532 -8.187 393 2HD LYS 54 3HD LYS 54 -1.740 10.271 -8.055 394 1HE LYS 54 2HE LYS 54 0.587 9.411 -9.698 395 2HE LYS 54 3HE LYS 54 -0.963 8.920 -10.352 396 1HZ LYS 54 1HZ LYS 54 -1.623 11.075 -10.578 397 2HZ LYS 54 2HZ LYS 54 -0.636 11.654 -9.414 398 3HZ LYS 54 3HZ LYS 54 -0.025 11.237 -10.870 399 H SER 55 HN SER 55 3.506 11.826 -4.390 400 HA SER 55 HA SER 55 2.656 14.565 -4.471 401 1HB SER 55 2HB SER 55 1.801 13.218 -2.295 402 2HB SER 55 3HB SER 55 3.425 13.571 -1.738 403 HG SER 55 HG SER 55 2.230 15.799 -2.896 404 H ASN 56 HN ASN 56 4.974 12.203 -2.956 405 HA ASN 56 HA ASN 56 7.095 13.997 -3.843 406 1HB ASN 56 2HB ASN 56 6.527 12.875 -1.200 407 2HB ASN 56 3HB ASN 56 8.092 12.313 -1.752 408 1HD2 ASN 56 1HD ASN 56 6.489 14.710 -0.166 409 2HD2 ASN 56 2HD ASN 56 7.623 16.014 -0.290 410 H ASN 57 HN ASN 57 6.788 10.636 -2.455 411 HA ASN 57 HA ASN 57 8.122 9.682 -4.866 412 1HB ASN 57 2HB ASN 57 8.672 9.172 -1.955 413 2HB ASN 57 3HB ASN 57 8.772 7.769 -3.001 414 1HD2 ASN 57 1HD ASN 57 10.959 8.726 -1.668 415 2HD2 ASN 57 2HD ASN 57 12.116 9.389 -2.773 416 H GLY 58 HN GLY 58 6.355 8.734 -5.957 417 1HA GLY 58 1HA GLY 58 5.077 6.461 -4.689 418 2HA GLY 58 2HA GLY 58 4.010 7.805 -5.047 419 HA PRO 59 HA PRO 59 5.690 5.976 -9.114 420 1HB PRO 59 2HB PRO 59 6.635 3.412 -9.033 421 2HB PRO 59 3HB PRO 59 7.678 4.821 -8.997 422 1HG PRO 59 2HG PRO 59 6.931 3.009 -6.783 423 2HG PRO 59 3HG PRO 59 8.271 4.136 -6.875 424 1HD PRO 59 2HD PRO 59 5.822 4.496 -5.426 425 2HD PRO 59 3HD PRO 59 7.111 5.668 -5.613 426 H THR 60 HN THR 60 3.209 6.141 -8.223 427 HA THR 60 HA THR 60 1.981 3.542 -8.697 428 HB THR 60 HB THR 60 1.251 4.931 -6.766 429 HG1 THR 60 HG1 THR 60 -0.503 3.802 -7.616 430 1HG2 THR 60 1HG THR 60 0.727 6.962 -8.980 431 2HG2 THR 60 2HG THR 60 -0.219 6.980 -7.473 432 3HG2 THR 60 3HG THR 60 1.544 7.221 -7.421 433 H LYS 61 HN LYS 61 3.346 4.359 -10.955 434 HA LYS 61 HA LYS 61 1.118 5.201 -12.676 435 1HB LYS 61 2HB LYS 61 2.909 6.097 -14.203 436 2HB LYS 61 3HB LYS 61 2.680 6.979 -12.706 437 1HG LYS 61 2HG LYS 61 4.596 5.640 -11.698 438 2HG LYS 61 3HG LYS 61 4.868 4.923 -13.274 439 1HD LYS 61 2HD LYS 61 6.334 6.698 -13.475 440 2HD LYS 61 3HD LYS 61 4.889 7.513 -14.040 441 1HE LYS 61 2HE LYS 61 4.501 8.092 -11.494 442 2HE LYS 61 3HE LYS 61 6.192 7.675 -11.301 443 1HZ LYS 61 1HZ LYS 61 5.021 9.863 -12.805 444 2HZ LYS 61 2HZ LYS 61 6.315 9.866 -11.809 445 3HZ LYS 61 3HZ LYS 61 6.447 9.254 -13.316 446 H CYS 62 HN CYS 62 1.520 2.512 -11.771 447 HA CYS 62 HA CYS 62 1.418 0.504 -12.680 448 1HB CYS 62 2HB CYS 62 0.688 1.888 -14.787 449 2HB CYS 62 3HB CYS 62 2.272 1.448 -15.394 450 H GLY 63 HN GLY 63 2.968 -1.230 -13.006 451 1HA GLY 63 1HA GLY 63 5.015 -2.180 -13.201 452 2HA GLY 63 2HA GLY 63 5.661 -0.667 -13.806 453 H GLY 64 HN GLY 64 5.259 1.174 -11.804 454 1HA GLY 64 1HA GLY 64 7.294 1.041 -10.115 455 2HA GLY 64 2HA GLY 64 5.764 1.762 -9.658 456 H CYS 65 HN CYS 65 3.999 0.055 -8.931 457 HA CYS 65 HA CYS 65 5.098 -1.278 -6.712 458 1HB CYS 65 2HB CYS 65 2.348 -1.878 -7.730 459 2HB CYS 65 3HB CYS 65 2.924 -1.745 -6.081 460 H HIS 66 HN HIS 66 3.347 -2.478 -9.679 461 HA HIS 66 HA HIS 66 4.148 -5.154 -9.167 462 1HB HIS 66 2HB HIS 66 2.749 -3.763 -11.451 463 2HB HIS 66 3HB HIS 66 3.194 -5.456 -11.543 464 HD1 HIS 66 HD1 HIS 66 1.927 -7.135 -9.965 465 HD2 HIS 66 HD2 HIS 66 0.578 -3.169 -9.753 466 HE1 HIS 66 HE1 HIS 66 -0.307 -7.205 -8.732 467 H ILE 67 HN ILE 67 6.380 -5.406 -9.126 468 HA ILE 67 HA ILE 67 8.097 -4.114 -10.929 469 HB ILE 67 HB ILE 67 8.426 -6.540 -9.166 470 1HG1 ILE 67 2HG ILE 67 7.973 -4.445 -7.980 471 2HG1 ILE 67 3HG ILE 67 9.600 -5.020 -7.679 472 1HG2 ILE 67 1HG ILE 67 10.237 -7.002 -10.399 473 2HG2 ILE 67 2HG ILE 67 10.211 -5.420 -11.213 474 3HG2 ILE 67 3HG ILE 67 10.956 -5.581 -9.603 475 1HD1 ILE 67 1HD ILE 67 8.700 -2.679 -9.372 476 2HD1 ILE 67 2HD ILE 67 9.958 -2.738 -8.114 477 3HD1 ILE 67 3HD ILE 67 10.261 -3.465 -9.710 478 H LYS 68 HN LYS 68 7.051 -4.404 -13.010 479 HA LYS 68 HA LYS 68 7.256 -7.145 -14.025 480 1HB LYS 68 2HB LYS 68 5.068 -5.683 -14.073 481 2HB LYS 68 3HB LYS 68 5.826 -4.929 -15.460 482 1HG LYS 68 2HG LYS 68 5.718 -7.953 -15.278 483 2HG LYS 68 3HG LYS 68 4.294 -7.069 -15.789 484 1HD LYS 68 2HD LYS 68 6.999 -6.565 -17.086 485 2HD LYS 68 3HD LYS 68 5.972 -7.877 -17.625 486 1HE LYS 68 2HE LYS 68 4.087 -6.058 -17.800 487 2HE LYS 68 3HE LYS 68 5.392 -4.892 -17.699 488 1HZ LYS 68 1HZ LYS 68 5.342 -7.077 -19.658 489 2HZ LYS 68 2HZ LYS 68 4.791 -5.572 -19.971 490 3HZ LYS 68 3HZ LYS 68 6.370 -5.808 -19.626 491 HHA HEC 98 HGM HEC 98 -3.974 -5.314 8.030 492 HHB HEC 98 HDM HEC 98 -1.071 -3.161 13.120 493 HHC HEC 98 HAM HEC 98 1.972 1.032 9.478 494 HHD HEC 98 HBM HEC 98 -1.358 -0.940 4.595 495 1HMA HEC 98 1HM HEC 98 -2.848 -6.638 12.959 496 2HMA HEC 98 2HM HEC 98 -1.419 -5.671 13.395 497 3HMA HEC 98 3HM HEC 98 -3.052 -5.028 13.690 498 1HAA HEC 98 1HA HEC 98 -4.103 -7.160 11.238 499 2HAA HEC 98 2HA HEC 98 -4.728 -6.449 9.731 500 1HBA HEC 98 3HB HEC 98 -3.719 -8.335 8.787 501 2HBA HEC 98 4HB HEC 98 -2.275 -7.297 8.842 502 1HMB HEC 98 1HM HEC 98 -0.378 -1.863 14.425 503 2HMB HEC 98 2HM HEC 98 1.331 -1.388 14.570 504 3HMB HEC 98 3HM HEC 98 0.061 -0.142 14.528 505 HAB HEC 98 HT2 HEC 98 2.629 1.341 11.353 506 1HBB HEC 98 1HT HEC 98 3.411 -0.456 13.584 507 2HBB HEC 98 2HT HEC 98 4.109 -0.313 11.954 508 3HBB HEC 98 3HT HEC 98 4.253 1.036 13.104 509 1HMC HEC 98 1HM HEC 98 3.232 1.788 7.010 510 2HMC HEC 98 2HM HEC 98 2.047 2.985 6.432 511 3HMC HEC 98 3HM HEC 98 2.209 2.662 8.174 512 HAC HEC 98 HT4 HEC 98 1.061 1.454 4.020 513 1HBC HEC 98 1HT HEC 98 0.851 3.584 4.958 514 2HBC HEC 98 2HT HEC 98 -0.672 3.434 4.051 515 3HBC HEC 98 3HT HEC 98 -0.656 3.178 5.812 516 1HMD HEC 98 1HM HEC 98 -2.531 -3.201 2.887 517 2HMD HEC 98 2HM HEC 98 -4.177 -2.652 3.281 518 3HMD HEC 98 3HM HEC 98 -2.825 -1.495 3.299 519 1HAD HEC 98 1HA HEC 98 -4.324 -5.846 5.840 520 2HAD HEC 98 2HA HEC 98 -5.084 -4.698 4.713 521 1HBD HEC 98 3HB HEC 98 -2.655 -5.079 3.543 522 2HBD HEC 98 4HB HEC 98 -2.964 -6.675 4.268 523 HHA HEC 128 HGM HEC 128 8.476 3.258 -0.541 524 HHB HEC 128 HDM HEC 128 3.873 -0.221 -2.925 525 HHC HEC 128 HAM HEC 128 -0.247 2.937 0.706 526 HHD HEC 128 HBM HEC 128 4.408 6.609 2.621 527 1HMA HEC 128 1HM HEC 128 6.792 -0.577 -4.177 528 2HMA HEC 128 2HM HEC 128 7.448 -1.472 -2.786 529 3HMA HEC 128 3HM HEC 128 5.696 -1.465 -3.092 530 1HAA HEC 128 1HA HEC 128 9.410 1.170 -0.797 531 2HAA HEC 128 2HA HEC 128 9.214 -0.077 -2.051 532 1HBA HEC 128 3HB HEC 128 9.331 2.965 -2.476 533 2HBA HEC 128 4HB HEC 128 10.516 1.763 -3.038 534 1HMB HEC 128 1HM HEC 128 1.329 -1.462 -2.913 535 2HMB HEC 128 2HM HEC 128 0.179 -0.289 -3.597 536 3HMB HEC 128 3HM HEC 128 1.900 -0.213 -4.045 537 HAB HEC 128 HT2 HEC 128 -1.392 1.843 -0.774 538 1HBB HEC 128 1HT HEC 128 -0.563 -0.688 0.354 539 2HBB HEC 128 2HT HEC 128 -1.623 0.607 0.960 540 3HBB HEC 128 3HT HEC 128 -2.248 -0.584 -0.205 541 1HMC HEC 128 1HM HEC 128 -1.277 5.619 1.612 542 2HMC HEC 128 2HM HEC 128 -1.173 3.935 2.176 543 3HMC HEC 128 3HM HEC 128 -0.892 5.272 3.314 544 HAC HEC 128 HT4 HEC 128 2.541 7.485 3.373 545 1HBC HEC 128 1HT HEC 128 0.368 6.227 4.496 546 2HBC HEC 128 2HT HEC 128 0.944 7.850 4.946 547 3HBC HEC 128 3HT HEC 128 -0.388 7.671 3.780 548 1HMD HEC 128 1HM HEC 128 7.778 7.835 2.261 549 2HMD HEC 128 2HM HEC 128 6.045 7.933 2.652 550 3HMD HEC 128 3HM HEC 128 7.140 6.991 3.692 551 1HAD HEC 128 1HA HEC 128 9.589 5.603 0.514 552 2HAD HEC 128 2HA HEC 128 9.310 6.123 2.192 553 1HBD HEC 128 3HB HEC 128 9.001 3.380 2.309 554 2HBD HEC 128 4HB HEC 128 10.336 3.609 1.153 555 HHA HEC 158 HGM HEC 158 -3.567 -7.275 -6.915 556 HHB HEC 158 HDM HEC 158 -2.489 -6.094 -12.949 557 HHC HEC 158 HAM HEC 158 -0.408 -0.332 -11.338 558 HHD HEC 158 HBM HEC 158 -1.117 -1.862 -5.341 559 1HMA HEC 158 1HM HEC 158 -5.015 -8.755 -11.779 560 2HMA HEC 158 2HM HEC 158 -4.272 -7.576 -12.886 561 3HMA HEC 158 3HM HEC 158 -3.316 -8.946 -12.274 562 1HAA HEC 158 1HA HEC 158 -4.894 -8.441 -7.809 563 2HAA HEC 158 2HA HEC 158 -5.658 -8.881 -9.354 564 1HBA HEC 158 3HB HEC 158 -2.903 -9.754 -9.479 565 2HBA HEC 158 4HB HEC 158 -3.565 -10.307 -7.922 566 1HMB HEC 158 1HM HEC 158 -1.956 -4.090 -15.388 567 2HMB HEC 158 2HM HEC 158 -0.215 -4.313 -15.101 568 3HMB HEC 158 3HM HEC 158 -1.374 -5.536 -14.529 569 HAB HEC 158 HT2 HEC 158 0.520 -1.067 -13.673 570 1HBB HEC 158 1HT HEC 158 -0.476 0.756 -13.313 571 2HBB HEC 158 2HT HEC 158 -1.573 0.423 -14.675 572 3HBB HEC 158 3HT HEC 158 -2.022 -0.078 -13.027 573 1HMC HEC 158 1HM HEC 158 -0.471 2.080 -9.538 574 2HMC HEC 158 2HM HEC 158 1.155 1.740 -8.901 575 3HMC HEC 158 3HM HEC 158 0.681 1.127 -10.503 576 HAC HEC 158 HT4 HEC 158 0.647 -0.339 -5.565 577 1HBC HEC 158 1HT HEC 158 0.002 2.435 -5.594 578 2HBC HEC 158 2HT HEC 158 -1.421 1.572 -6.227 579 3HBC HEC 158 3HT HEC 158 -0.758 1.145 -4.631 580 1HMD HEC 158 1HM HEC 158 -1.976 -4.320 -2.736 581 2HMD HEC 158 2HM HEC 158 -0.828 -3.138 -3.407 582 3HMD HEC 158 3HM HEC 158 -2.549 -2.715 -3.249 583 1HAD HEC 158 1HA HEC 158 -3.913 -5.489 -3.374 584 2HAD HEC 158 2HA HEC 158 -4.382 -6.599 -4.684 585 1HBD HEC 158 3HB HEC 158 -2.185 -7.732 -4.431 586 2HBD HEC 158 4HB HEC 158 -1.863 -6.692 -3.022
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