NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2520 | 1bzk | cing | 1-original | 11 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ACE 1 HA1 ACE 1 27.251 10.654 8.768 2 2H ACE 1 HA2 ACE 1 27.724 12.332 9.030 3 3H ACE 1 HA3 ACE 1 28.653 11.317 7.928 4 H ARG 2 H ARG 2 28.268 11.902 5.848 5 HA ARG 2 HA ARG 2 25.679 13.142 5.145 6 1HB ARG 2 1HB ARG 2 28.220 12.706 3.549 7 2HB ARG 2 2HB ARG 2 26.784 13.521 2.929 8 1HG ARG 2 1HG ARG 2 27.350 15.439 3.963 9 2HG ARG 2 2HG ARG 2 27.522 14.607 5.509 10 1HD ARG 2 1HD ARG 2 29.648 15.676 4.767 11 2HD ARG 2 2HD ARG 2 29.796 13.926 4.931 12 HE ARG 2 HE ARG 2 29.218 15.074 2.245 13 1HH1 ARG 2 1HH1 ARG 2 31.806 14.404 4.284 14 2HH1 ARG 2 2HH1 ARG 2 32.649 13.387 3.164 15 1HH2 ARG 2 1HH2 ARG 2 30.061 13.319 0.863 16 2HH2 ARG 2 2HH2 ARG 2 31.664 12.775 1.229 17 H TYR 3 H TYR 3 27.240 11.330 2.639 18 HA TYR 3 HA TYR 3 25.682 8.896 3.031 19 1HB TYR 3 1HB TYR 3 24.880 10.925 0.931 20 2HB TYR 3 2HB TYR 3 24.406 9.228 0.856 21 HD1 TYR 3 HD1 TYR 3 23.417 8.276 3.159 22 HD2 TYR 3 HD2 TYR 3 23.428 12.410 1.988 23 HE1 TYR 3 HE1 TYR 3 21.553 8.727 4.731 24 HE2 TYR 3 HE2 TYR 3 21.565 12.860 3.562 25 HH TYR 3 HH TYR 3 20.765 11.098 6.012 26 HA PRO 4 HA PRO 4 29.396 8.264 0.408 27 1HB PRO 4 1HB PRO 4 30.516 6.388 2.039 28 2HB PRO 4 2HB PRO 4 30.751 8.129 2.264 29 1HG PRO 4 1HG PRO 4 29.218 6.245 3.894 30 2HG PRO 4 2HG PRO 4 29.782 7.876 4.292 31 1HD PRO 4 1HD PRO 4 27.137 7.052 3.464 32 2HD PRO 4 2HD PRO 4 27.684 8.663 3.959 33 H TYR 5 H TYR 5 28.588 5.343 2.267 34 HA TYR 5 HA TYR 5 28.510 3.713 -0.116 35 1HB TYR 5 1HB TYR 5 27.248 2.889 2.490 36 2HB TYR 5 2HB TYR 5 28.136 1.903 1.328 37 HD1 TYR 5 HD1 TYR 5 30.621 3.048 0.834 38 HD2 TYR 5 HD2 TYR 5 28.381 3.209 4.495 39 HE1 TYR 5 HE1 TYR 5 32.718 3.440 2.099 40 HE2 TYR 5 HE2 TYR 5 30.478 3.600 5.761 41 HH TYR 5 HH TYR 5 32.664 4.099 5.584 42 H TYR 6 H TYR 6 26.101 5.438 1.753 43 HA TYR 6 HA TYR 6 23.720 4.187 1.025 44 1HB TYR 6 1HB TYR 6 24.430 6.640 2.146 45 2HB TYR 6 2HB TYR 6 23.529 7.081 0.695 46 HD1 TYR 6 HD1 TYR 6 21.202 6.317 0.373 47 HD2 TYR 6 HD2 TYR 6 23.360 5.494 3.996 48 HE1 TYR 6 HE1 TYR 6 19.075 5.735 1.509 49 HE2 TYR 6 HE2 TYR 6 21.232 4.912 5.130 50 HH TYR 6 HH TYR 6 19.022 4.814 4.953 51 H LEU 7 H LEU 7 25.668 6.434 -0.923 52 HA LEU 7 HA LEU 7 23.840 6.537 -3.143 53 1HB LEU 7 1HB LEU 7 26.659 7.309 -2.622 54 2HB LEU 7 2HB LEU 7 26.224 7.040 -4.311 55 HG LEU 7 HG LEU 7 25.847 9.391 -3.702 56 1HD1 LEU 7 1HD1 LEU 7 24.238 7.985 -5.201 57 2HD1 LEU 7 2HD1 LEU 7 23.118 8.126 -3.846 58 3HD1 LEU 7 3HD1 LEU 7 23.708 9.577 -4.657 59 1HD2 LEU 7 1HD2 LEU 7 25.395 8.747 -1.241 60 2HD2 LEU 7 2HD2 LEU 7 24.417 10.046 -1.925 61 3HD2 LEU 7 3HD2 LEU 7 23.741 8.425 -1.762 62 H SER 8 H SER 8 26.599 4.442 -2.376 63 HA SER 8 HA SER 8 26.344 2.997 -4.915 64 1HB SER 8 1HB SER 8 28.206 1.669 -4.125 65 2HB SER 8 2HB SER 8 28.544 3.356 -3.751 66 HG SER 8 HG SER 8 28.034 1.215 -2.084 67 H ASP 9 H ASP 9 24.190 3.039 -2.658 68 HA ASP 9 HA ASP 9 24.046 0.193 -1.949 69 1HB ASP 9 1HB ASP 9 22.829 2.662 -1.034 70 2HB ASP 9 2HB ASP 9 21.604 1.425 -1.314 71 H ILE 10 H ILE 10 21.850 2.463 -3.650 72 HA ILE 10 HA ILE 10 20.387 0.236 -4.838 73 HB ILE 10 HB ILE 10 19.830 2.908 -4.289 74 1HG1 ILE 10 1HG1 ILE 10 18.015 1.597 -6.204 75 2HG1 ILE 10 2HG1 ILE 10 18.469 0.595 -4.825 76 1HG2 ILE 10 1HG2 ILE 10 20.969 3.432 -6.515 77 2HG2 ILE 10 2HG2 ILE 10 19.638 2.570 -7.287 78 3HG2 ILE 10 3HG2 ILE 10 19.315 4.019 -6.336 79 1HD1 ILE 10 1HD1 ILE 10 17.350 3.409 -4.655 80 2HD1 ILE 10 2HD1 ILE 10 16.447 1.929 -4.330 81 3HD1 ILE 10 3HD1 ILE 10 17.789 2.391 -3.284 82 H THR 11 H THR 11 22.999 2.353 -5.777 83 HA THR 11 HA THR 11 22.850 1.572 -8.603 84 HB THR 11 HB THR 11 24.911 2.938 -8.819 85 HG1 THR 11 HG1 THR 11 25.216 2.355 -6.328 86 1HG2 THR 11 1HG2 THR 11 22.650 3.992 -8.865 87 2HG2 THR 11 2HG2 THR 11 22.787 4.289 -7.132 88 3HG2 THR 11 3HG2 THR 11 23.896 5.079 -8.253 89 H ASP 12 H ASP 12 23.372 -0.462 -6.377 90 HA ASP 12 HA ASP 12 26.121 -1.328 -6.989 91 1HB ASP 12 1HB ASP 12 25.192 -1.475 -4.666 92 2HB ASP 12 2HB ASP 12 24.036 -2.672 -5.250 93 H ALA 13 H ALA 13 23.415 -1.513 -8.722 94 HA ALA 13 HA ALA 13 23.735 -4.381 -9.437 95 1HB ALA 13 1HB ALA 13 21.438 -3.622 -8.902 96 2HB ALA 13 2HB ALA 13 21.542 -2.430 -10.197 97 3HB ALA 13 3HB ALA 13 21.570 -4.152 -10.578 98 H PHE 14 H PHE 14 24.406 -1.193 -10.527 99 HA PHE 14 HA PHE 14 24.481 -1.825 -13.367 100 1HB PHE 14 1HB PHE 14 25.244 0.386 -13.682 101 2HB PHE 14 2HB PHE 14 24.195 0.498 -12.271 102 HD1 PHE 14 HD1 PHE 14 26.247 -0.946 -10.380 103 HD2 PHE 14 HD2 PHE 14 26.558 2.353 -13.115 104 HE1 PHE 14 HE1 PHE 14 28.134 -0.031 -9.061 105 HE2 PHE 14 HE2 PHE 14 28.446 3.267 -11.793 106 HZ PHE 14 HZ PHE 14 29.234 2.075 -9.767 107 H SER 15 H SER 15 26.378 -2.919 -10.916 108 HA SER 15 HA SER 15 28.629 -3.399 -12.771 109 1HB SER 15 1HB SER 15 29.477 -1.507 -11.637 110 2HB SER 15 2HB SER 15 28.787 -2.017 -10.099 111 HG SER 15 HG SER 15 31.194 -2.411 -10.789 112 HA PRO 16 HA PRO 16 27.845 -7.251 -10.443 113 1HB PRO 16 1HB PRO 16 27.647 -8.818 -12.668 114 2HB PRO 16 2HB PRO 16 26.283 -7.891 -12.020 115 1HG PRO 16 1HG PRO 16 27.766 -7.476 -14.492 116 2HG PRO 16 2HG PRO 16 26.244 -6.742 -13.967 117 1HD PRO 16 1HD PRO 16 28.945 -5.628 -13.858 118 2HD PRO 16 2HD PRO 16 27.392 -4.815 -13.605 119 H GLN 17 H GLN 17 29.571 -7.627 -13.551 120 HA GLN 17 HA GLN 17 31.511 -9.435 -12.541 121 1HB GLN 17 1HB GLN 17 31.574 -7.526 -14.889 122 2HB GLN 17 2HB GLN 17 32.867 -8.682 -14.561 123 1HG GLN 17 1HG GLN 17 30.774 -10.356 -14.398 124 2HG GLN 17 2HG GLN 17 30.083 -9.169 -15.504 125 1HE2 GLN 17 2HE2 GLN 17 30.813 -11.896 -16.265 126 2HE2 GLN 17 1HE2 GLN 17 32.048 -11.778 -17.424 127 H VAL 18 H VAL 18 31.742 -5.930 -13.091 128 HA VAL 18 HA VAL 18 34.352 -5.582 -12.005 129 HB VAL 18 HB VAL 18 31.999 -3.691 -11.983 130 1HG1 VAL 18 1HG1 VAL 18 34.103 -3.280 -10.469 131 2HG1 VAL 18 2HG1 VAL 18 34.887 -2.868 -11.994 132 3HG1 VAL 18 3HG1 VAL 18 33.477 -1.958 -11.454 133 1HG2 VAL 18 1HG2 VAL 18 33.921 -4.572 -14.052 134 2HG2 VAL 18 2HG2 VAL 18 32.307 -3.885 -14.238 135 3HG2 VAL 18 3HG2 VAL 18 33.688 -2.827 -13.945 136 H LEU 19 H LEU 19 31.275 -6.186 -10.488 137 HA LEU 19 HA LEU 19 31.814 -5.097 -7.903 138 1HB LEU 19 1HB LEU 19 29.635 -6.194 -8.836 139 2HB LEU 19 2HB LEU 19 30.349 -7.705 -8.277 140 HG LEU 19 HG LEU 19 30.522 -6.846 -6.010 141 1HD1 LEU 19 1HD1 LEU 19 30.009 -4.291 -7.401 142 2HD1 LEU 19 2HD1 LEU 19 29.150 -4.483 -5.873 143 3HD1 LEU 19 3HD1 LEU 19 30.909 -4.604 -5.917 144 1HD2 LEU 19 1HD2 LEU 19 28.024 -7.074 -7.462 145 2HD2 LEU 19 2HD2 LEU 19 28.398 -7.584 -5.816 146 3HD2 LEU 19 3HD2 LEU 19 27.855 -5.935 -6.127 147 H ALA 20 H ALA 20 32.230 -8.474 -9.028 148 HA ALA 20 HA ALA 20 33.592 -9.484 -6.778 149 1HB ALA 20 1HB ALA 20 32.838 -10.825 -8.760 150 2HB ALA 20 2HB ALA 20 34.187 -10.153 -9.676 151 3HB ALA 20 3HB ALA 20 34.497 -11.180 -8.277 152 H ALA 21 H ALA 21 34.982 -8.044 -9.710 153 HA ALA 21 HA ALA 21 37.706 -8.133 -9.103 154 1HB ALA 21 1HB ALA 21 35.955 -6.558 -10.815 155 2HB ALA 21 2HB ALA 21 37.291 -5.580 -10.208 156 3HB ALA 21 3HB ALA 21 37.620 -7.065 -11.101 157 H VAL 22 H VAL 22 35.502 -5.470 -8.324 158 HA VAL 22 HA VAL 22 37.218 -3.851 -6.832 159 HB VAL 22 HB VAL 22 34.263 -4.409 -6.466 160 1HG1 VAL 22 1HG1 VAL 22 36.087 -3.061 -4.696 161 2HG1 VAL 22 2HG1 VAL 22 34.996 -1.873 -5.410 162 3HG1 VAL 22 3HG1 VAL 22 34.341 -3.256 -4.533 163 1HG2 VAL 22 1HG2 VAL 22 35.843 -2.150 -7.736 164 2HG2 VAL 22 2HG2 VAL 22 34.865 -3.347 -8.583 165 3HG2 VAL 22 3HG2 VAL 22 34.091 -2.156 -7.538 166 H ILE 23 H ILE 23 35.545 -6.798 -5.849 167 HA ILE 23 HA ILE 23 36.227 -6.548 -3.047 168 HB ILE 23 HB ILE 23 35.170 -8.738 -4.818 169 1HG1 ILE 23 1HG1 ILE 23 33.925 -8.285 -2.225 170 2HG1 ILE 23 2HG1 ILE 23 34.082 -6.781 -3.132 171 1HG2 ILE 23 1HG2 ILE 23 36.171 -9.106 -1.976 172 2HG2 ILE 23 2HG2 ILE 23 35.182 -10.273 -2.854 173 3HG2 ILE 23 3HG2 ILE 23 36.810 -9.896 -3.418 174 1HD1 ILE 23 1HD1 ILE 23 32.973 -9.304 -4.375 175 2HD1 ILE 23 2HD1 ILE 23 31.948 -8.127 -3.555 176 3HD1 ILE 23 3HD1 ILE 23 32.862 -7.654 -4.987 177 H PHE 24 H PHE 24 37.733 -8.091 -5.860 178 HA PHE 24 HA PHE 24 39.790 -9.510 -4.503 179 1HB PHE 24 1HB PHE 24 39.107 -9.156 -7.126 180 2HB PHE 24 2HB PHE 24 40.540 -8.133 -7.031 181 HD1 PHE 24 HD1 PHE 24 39.417 -11.479 -5.738 182 HD2 PHE 24 HD2 PHE 24 42.563 -9.160 -7.517 183 HE1 PHE 24 HE1 PHE 24 40.860 -13.494 -5.811 184 HE2 PHE 24 HE2 PHE 24 44.007 -11.174 -7.591 185 HZ PHE 24 HZ PHE 24 43.157 -13.341 -6.737 186 H ILE 25 H ILE 25 39.579 -6.120 -5.553 187 HA ILE 25 HA ILE 25 42.244 -5.454 -4.584 188 HB ILE 25 HB ILE 25 39.913 -3.566 -5.057 189 1HG1 ILE 25 1HG1 ILE 25 41.984 -4.600 -7.024 190 2HG1 ILE 25 2HG1 ILE 25 40.267 -5.006 -7.037 191 1HG2 ILE 25 1HG2 ILE 25 42.653 -3.245 -4.250 192 2HG2 ILE 25 2HG2 ILE 25 42.439 -2.527 -5.847 193 3HG2 ILE 25 3HG2 ILE 25 41.429 -1.999 -4.501 194 1HD1 ILE 25 1HD1 ILE 25 40.040 -2.336 -7.033 195 2HD1 ILE 25 2HD1 ILE 25 41.619 -2.463 -7.809 196 3HD1 ILE 25 3HD1 ILE 25 40.216 -3.254 -8.529 197 H TYR 26 H TYR 26 38.967 -5.466 -3.299 198 HA TYR 26 HA TYR 26 39.484 -3.983 -0.895 199 1HB TYR 26 1HB TYR 26 37.197 -4.469 -1.657 200 2HB TYR 26 2HB TYR 26 37.485 -6.198 -1.473 201 HD1 TYR 26 HD1 TYR 26 37.895 -7.156 0.813 202 HD2 TYR 26 HD2 TYR 26 36.650 -3.090 0.210 203 HE1 TYR 26 HE1 TYR 26 37.195 -7.018 3.189 204 HE2 TYR 26 HE2 TYR 26 35.952 -2.951 2.586 205 HH TYR 26 HH TYR 26 35.179 -4.816 4.383 206 H PHE 27 H PHE 27 40.254 -7.141 -1.996 207 HA PHE 27 HA PHE 27 40.903 -8.196 0.676 208 1HB PHE 27 1HB PHE 27 40.099 -9.338 -1.724 209 2HB PHE 27 2HB PHE 27 41.827 -9.681 -1.685 210 HD1 PHE 27 HD1 PHE 27 38.695 -9.950 0.333 211 HD2 PHE 27 HD2 PHE 27 42.701 -11.374 -0.275 212 HE1 PHE 27 HE1 PHE 27 38.299 -11.765 1.976 213 HE2 PHE 27 HE2 PHE 27 42.305 -13.190 1.368 214 HZ PHE 27 HZ PHE 27 40.104 -13.385 2.493 215 H ALA 28 H ALA 28 42.400 -6.901 -2.193 216 HA ALA 28 HA ALA 28 45.127 -7.528 -1.334 217 1HB ALA 28 1HB ALA 28 43.800 -6.704 -3.757 218 2HB ALA 28 2HB ALA 28 45.171 -5.643 -3.436 219 3HB ALA 28 3HB ALA 28 45.414 -7.386 -3.559 220 H ALA 29 H ALA 29 43.796 -4.379 -2.374 221 HA ALA 29 HA ALA 29 45.725 -2.954 -0.725 222 1HB ALA 29 1HB ALA 29 44.561 -2.307 -3.009 223 2HB ALA 29 2HB ALA 29 43.349 -1.605 -1.936 224 3HB ALA 29 3HB ALA 29 45.024 -1.061 -1.850 225 H LEU 30 H LEU 30 42.165 -3.112 -0.690 226 HA LEU 30 HA LEU 30 41.996 -1.614 1.796 227 1HB LEU 30 1HB LEU 30 40.218 -2.391 -0.269 228 2HB LEU 30 2HB LEU 30 39.581 -3.068 1.231 229 HG LEU 30 HG LEU 30 40.469 -0.454 1.854 230 1HD1 LEU 30 1HD1 LEU 30 40.312 -0.223 -0.718 231 2HD1 LEU 30 2HD1 LEU 30 38.569 -0.359 -0.490 232 3HD1 LEU 30 3HD1 LEU 30 39.455 0.970 0.258 233 1HD2 LEU 30 1HD2 LEU 30 37.710 -1.635 1.400 234 2HD2 LEU 30 2HD2 LEU 30 38.597 -1.588 2.924 235 3HD2 LEU 30 3HD2 LEU 30 38.009 -0.091 2.200 236 H SER 31 H SER 31 43.452 -4.299 1.770 237 HA SER 31 HA SER 31 41.889 -6.177 3.249 238 1HB SER 31 1HB SER 31 43.731 -7.453 3.027 239 2HB SER 31 2HB SER 31 44.450 -6.107 2.149 240 HG SER 31 HG SER 31 45.558 -6.987 4.119 241 HA PRO 32 HA PRO 32 43.807 -4.094 7.153 242 1HB PRO 32 1HB PRO 32 45.636 -2.110 6.762 243 2HB PRO 32 2HB PRO 32 46.053 -3.831 6.752 244 1HG PRO 32 1HG PRO 32 46.013 -1.939 4.533 245 2HG PRO 32 2HG PRO 32 46.714 -3.563 4.606 246 1HD PRO 32 1HD PRO 32 44.166 -2.731 3.458 247 2HD PRO 32 2HD PRO 32 44.973 -4.303 3.335 248 H ALA 33 H ALA 33 42.850 -1.973 4.542 249 HA ALA 33 HA ALA 33 42.446 0.431 6.017 250 1HB ALA 33 1HB ALA 33 42.108 -0.331 3.399 251 2HB ALA 33 2HB ALA 33 40.441 -0.111 3.931 252 3HB ALA 33 3HB ALA 33 41.594 1.217 4.068 253 H ILE 34 H ILE 34 40.538 -2.496 5.810 254 HA ILE 34 HA ILE 34 37.997 -1.735 6.563 255 HB ILE 34 HB ILE 34 38.264 -3.845 8.233 256 1HG1 ILE 34 1HG1 ILE 34 40.231 -4.671 6.176 257 2HG1 ILE 34 2HG1 ILE 34 40.849 -3.581 7.417 258 1HG2 ILE 34 1HG2 ILE 34 37.237 -3.374 5.726 259 2HG2 ILE 34 2HG2 ILE 34 38.407 -4.653 5.406 260 3HG2 ILE 34 3HG2 ILE 34 37.122 -4.909 6.587 261 1HD1 ILE 34 1HD1 ILE 34 39.344 -6.154 7.973 262 2HD1 ILE 34 2HD1 ILE 34 41.096 -5.976 8.058 263 3HD1 ILE 34 3HD1 ILE 34 40.063 -5.086 9.177 264 H THR 35 H THR 35 40.456 -2.552 9.049 265 HA THR 35 HA THR 35 38.894 -1.282 11.129 266 HB THR 35 HB THR 35 40.413 -3.179 11.577 267 HG1 THR 35 HG1 THR 35 39.944 -1.809 13.282 268 1HG2 THR 35 1HG2 THR 35 42.329 -1.331 10.326 269 2HG2 THR 35 2HG2 THR 35 42.923 -2.079 11.808 270 3HG2 THR 35 3HG2 THR 35 42.387 -3.088 10.465 271 H PHE 36 H PHE 36 41.501 -0.169 9.042 272 HA PHE 36 HA PHE 36 42.123 2.136 10.701 273 1HB PHE 36 1HB PHE 36 43.191 0.926 8.348 274 2HB PHE 36 2HB PHE 36 42.847 2.618 7.981 275 HD1 PHE 36 HD1 PHE 36 43.418 4.239 10.113 276 HD2 PHE 36 HD2 PHE 36 45.326 0.503 9.183 277 HE1 PHE 36 HE1 PHE 36 45.411 4.932 11.416 278 HE2 PHE 36 HE2 PHE 36 47.319 1.198 10.486 279 HZ PHE 36 HZ PHE 36 47.361 3.412 11.602 280 H GLY 37 H GLY 37 40.916 3.943 10.870 281 1HA GLY 37 1HA GLY 37 39.639 5.796 10.097 282 2HA GLY 37 2HA GLY 37 39.494 5.007 8.526 283 H GLY 38 H GLY 38 37.603 6.067 10.898 284 1HA GLY 38 1HA GLY 38 35.280 4.701 10.153 285 2HA GLY 38 2HA GLY 38 35.943 3.781 11.502 286 H LEU 39 H LEU 39 36.594 5.261 13.443 287 HA LEU 39 HA LEU 39 34.212 6.720 14.232 288 1HB LEU 39 1HB LEU 39 36.845 6.052 15.493 289 2HB LEU 39 2HB LEU 39 35.883 7.351 16.200 290 HG LEU 39 HG LEU 39 34.630 4.689 15.545 291 1HD1 LEU 39 1HD1 LEU 39 36.709 5.140 17.463 292 2HD1 LEU 39 2HD1 LEU 39 35.198 4.885 18.336 293 3HD1 LEU 39 3HD1 LEU 39 35.772 3.670 17.194 294 1HD2 LEU 39 1HD2 LEU 39 33.213 6.676 16.072 295 2HD2 LEU 39 2HD2 LEU 39 33.043 5.391 17.269 296 3HD2 LEU 39 3HD2 LEU 39 34.027 6.809 17.631 297 H LEU 40 H LEU 40 33.990 8.528 12.864 298 HA LEU 40 HA LEU 40 36.239 10.487 12.882 299 1HB LEU 40 1HB LEU 40 35.072 11.541 10.973 300 2HB LEU 40 2HB LEU 40 35.410 9.841 10.650 301 HG LEU 40 HG LEU 40 32.909 9.884 11.951 302 1HD1 LEU 40 1HD1 LEU 40 33.356 12.394 10.742 303 2HD1 LEU 40 2HD1 LEU 40 32.299 11.514 9.639 304 3HD1 LEU 40 3HD1 LEU 40 31.818 11.751 11.319 305 1HD2 LEU 40 1HD2 LEU 40 33.967 8.531 9.944 306 2HD2 LEU 40 2HD2 LEU 40 32.218 8.741 10.038 307 3HD2 LEU 40 3HD2 LEU 40 33.172 9.761 8.961 308 H GLY 41 H GLY 41 33.823 9.870 14.851 309 1HA GLY 41 1HA GLY 41 33.356 12.742 15.422 310 2HA GLY 41 2HA GLY 41 31.938 11.723 15.193 311 H GLU 42 H GLU 42 34.984 11.722 17.046 312 HA GLU 42 HA GLU 42 34.235 9.873 19.035 313 1HB GLU 42 1HB GLU 42 35.792 11.354 20.523 314 2HB GLU 42 2HB GLU 42 36.486 10.552 19.113 315 1HG GLU 42 1HG GLU 42 35.353 13.083 18.323 316 2HG GLU 42 2HG GLU 42 36.467 13.327 19.668 317 H LYS 43 H LYS 43 33.221 13.172 18.543 318 HA LYS 43 HA LYS 43 31.813 14.571 19.808 319 1HB LYS 43 1HB LYS 43 30.205 12.873 19.040 320 2HB LYS 43 2HB LYS 43 30.596 11.862 20.432 321 1HG LYS 43 1HG LYS 43 29.678 13.439 21.966 322 2HG LYS 43 2HG LYS 43 29.602 14.700 20.735 323 1HD LYS 43 1HD LYS 43 27.637 13.931 19.896 324 2HD LYS 43 2HD LYS 43 28.131 12.244 20.037 325 1HE LYS 43 1HE LYS 43 27.896 13.010 22.676 326 2HE LYS 43 2HE LYS 43 26.582 13.900 21.907 327 1HZ LYS 43 1HZ LYS 43 26.805 11.199 20.974 328 2HZ LYS 43 2HZ LYS 43 26.508 11.289 22.644 329 3HZ LYS 43 3HZ LYS 43 25.446 12.036 21.549 Start of MODEL 2 1 1H ACE 1 HA1 ACE 1 25.646 24.674 -5.398 2 2H ACE 1 HA2 ACE 1 25.559 23.952 -7.006 3 3H ACE 1 HA3 ACE 1 27.125 24.357 -6.304 4 H ARG 2 H ARG 2 26.975 21.822 -7.126 5 HA ARG 2 HA ARG 2 26.720 20.294 -4.579 6 1HB ARG 2 1HB ARG 2 25.852 19.153 -7.241 7 2HB ARG 2 2HB ARG 2 25.560 18.497 -5.630 8 1HG ARG 2 1HG ARG 2 24.398 20.907 -5.324 9 2HG ARG 2 2HG ARG 2 24.164 20.702 -7.060 10 1HD ARG 2 1HD ARG 2 23.078 18.540 -6.691 11 2HD ARG 2 2HD ARG 2 23.377 18.663 -4.957 12 HE ARG 2 HE ARG 2 21.346 20.173 -6.475 13 1HH1 ARG 2 1HH2 ARG 2 21.667 18.639 -3.646 14 2HH1 ARG 2 2HH2 ARG 2 21.209 19.950 -2.611 15 1HH2 ARG 2 1HH1 ARG 2 21.392 22.340 -5.114 16 2HH2 ARG 2 2HH1 ARG 2 21.050 22.042 -3.443 17 H TYR 3 H TYR 3 28.483 19.011 -4.211 18 HA TYR 3 HA TYR 3 29.977 17.497 -5.985 19 1HB TYR 3 1HB TYR 3 30.481 20.348 -6.347 20 2HB TYR 3 2HB TYR 3 31.953 19.467 -5.941 21 HD1 TYR 3 HD1 TYR 3 31.863 16.944 -7.146 22 HD2 TYR 3 HD2 TYR 3 30.182 20.604 -8.641 23 HE1 TYR 3 HE1 TYR 3 31.966 16.047 -9.456 24 HE2 TYR 3 HE2 TYR 3 30.286 19.707 -10.951 25 HH TYR 3 HH TYR 3 31.339 18.056 -12.236 26 HA PRO 4 HA PRO 4 32.542 18.525 -2.024 27 1HB PRO 4 1HB PRO 4 31.920 20.806 -0.667 28 2HB PRO 4 2HB PRO 4 33.050 20.772 -2.030 29 1HG PRO 4 1HG PRO 4 30.349 21.896 -1.887 30 2HG PRO 4 2HG PRO 4 31.637 22.209 -3.060 31 1HD PRO 4 1HD PRO 4 29.334 20.509 -3.375 32 2HD PRO 4 2HD PRO 4 30.612 20.851 -4.552 33 H TYR 5 H TYR 5 29.159 19.576 -1.765 34 HA TYR 5 HA TYR 5 28.868 18.532 0.954 35 1HB TYR 5 1HB TYR 5 27.543 20.473 0.164 36 2HB TYR 5 2HB TYR 5 26.782 19.446 -1.051 37 HD1 TYR 5 HD1 TYR 5 25.284 17.584 -0.368 38 HD2 TYR 5 HD2 TYR 5 26.902 20.358 2.485 39 HE1 TYR 5 HE1 TYR 5 23.603 16.848 1.301 40 HE2 TYR 5 HE2 TYR 5 25.222 19.621 4.153 41 HH TYR 5 HH TYR 5 22.532 18.191 3.544 42 H TYR 6 H TYR 6 28.651 17.328 -2.255 43 HA TYR 6 HA TYR 6 26.734 15.251 -1.963 44 1HB TYR 6 1HB TYR 6 28.663 16.072 -3.897 45 2HB TYR 6 2HB TYR 6 28.891 14.346 -3.613 46 HD1 TYR 6 HD1 TYR 6 27.088 12.741 -4.058 47 HD2 TYR 6 HD2 TYR 6 26.581 16.939 -4.816 48 HE1 TYR 6 HE1 TYR 6 25.061 12.254 -5.401 49 HE2 TYR 6 HE2 TYR 6 24.554 16.452 -6.158 50 HH TYR 6 HH TYR 6 23.301 13.136 -6.454 51 H LEU 7 H LEU 7 30.193 15.344 -1.180 52 HA LEU 7 HA LEU 7 30.589 12.602 -0.630 53 1HB LEU 7 1HB LEU 7 31.893 15.136 0.130 54 2HB LEU 7 2HB LEU 7 32.143 13.815 1.272 55 HG LEU 7 HG LEU 7 32.456 12.618 -1.231 56 1HD1 LEU 7 1HD1 LEU 7 33.566 15.424 -1.172 57 2HD1 LEU 7 2HD1 LEU 7 34.324 14.161 -2.140 58 3HD1 LEU 7 3HD1 LEU 7 32.655 14.632 -2.457 59 1HD2 LEU 7 1HD2 LEU 7 34.166 13.458 1.050 60 2HD2 LEU 7 2HD2 LEU 7 33.968 11.865 0.321 61 3HD2 LEU 7 3HD2 LEU 7 35.013 13.061 -0.445 62 H SER 8 H SER 8 29.639 15.175 1.675 63 HA SER 8 HA SER 8 29.347 13.586 3.967 64 1HB SER 8 1HB SER 8 29.061 15.872 4.353 65 2HB SER 8 2HB SER 8 27.960 16.067 2.992 66 HG SER 8 HG SER 8 27.269 14.400 5.149 67 H ASP 9 H ASP 9 27.394 13.609 1.100 68 HA ASP 9 HA ASP 9 25.118 12.285 2.407 69 1HB ASP 9 1HB ASP 9 25.623 13.610 -0.119 70 2HB ASP 9 2HB ASP 9 24.863 12.040 -0.381 71 H ILE 10 H ILE 10 27.536 11.412 -0.079 72 HA ILE 10 HA ILE 10 26.774 8.726 -0.433 73 HB ILE 10 HB ILE 10 29.611 9.789 -0.449 74 1HG1 ILE 10 1HG1 ILE 10 28.114 9.556 -2.982 75 2HG1 ILE 10 2HG1 ILE 10 27.509 10.807 -1.895 76 1HG2 ILE 10 1HG2 ILE 10 28.372 7.238 -1.093 77 2HG2 ILE 10 2HG2 ILE 10 29.187 7.924 -2.498 78 3HG2 ILE 10 3HG2 ILE 10 30.083 7.653 -1.004 79 1HD1 ILE 10 1HD1 ILE 10 30.263 11.111 -1.743 80 2HD1 ILE 10 2HD1 ILE 10 29.990 10.736 -3.445 81 3HD1 ILE 10 3HD1 ILE 10 29.172 12.111 -2.702 82 H THR 11 H THR 11 28.139 10.209 2.345 83 HA THR 11 HA THR 11 29.281 7.701 3.367 84 HB THR 11 HB THR 11 29.634 9.183 5.448 85 HG1 THR 11 HG1 THR 11 28.827 11.100 5.337 86 1HG2 THR 11 1HG2 THR 11 31.301 8.632 3.574 87 2HG2 THR 11 2HG2 THR 11 30.917 10.225 2.922 88 3HG2 THR 11 3HG2 THR 11 31.631 10.078 4.528 89 H ASP 12 H ASP 12 26.464 9.777 3.948 90 HA ASP 12 HA ASP 12 25.555 8.002 6.114 91 1HB ASP 12 1HB ASP 12 24.687 10.650 5.023 92 2HB ASP 12 2HB ASP 12 23.544 9.697 5.969 93 H ALA 13 H ALA 13 23.845 9.349 3.270 94 HA ALA 13 HA ALA 13 21.852 7.280 3.311 95 1HB ALA 13 1HB ALA 13 22.614 9.219 1.114 96 2HB ALA 13 2HB ALA 13 21.144 8.244 1.143 97 3HB ALA 13 3HB ALA 13 21.402 9.487 2.367 98 H PHE 14 H PHE 14 25.055 7.169 2.093 99 HA PHE 14 HA PHE 14 24.344 5.247 -0.026 100 1HB PHE 14 1HB PHE 14 26.405 7.047 0.238 101 2HB PHE 14 2HB PHE 14 27.190 5.516 0.626 102 HD1 PHE 14 HD1 PHE 14 26.254 3.494 -0.985 103 HD2 PHE 14 HD2 PHE 14 26.493 7.661 -2.004 104 HE1 PHE 14 HE1 PHE 14 26.294 2.904 -3.394 105 HE2 PHE 14 HE2 PHE 14 26.533 7.069 -4.412 106 HZ PHE 14 HZ PHE 14 26.433 4.692 -5.107 107 H SER 15 H SER 15 24.301 4.864 3.135 108 HA SER 15 HA SER 15 24.962 3.154 4.659 109 1HB SER 15 1HB SER 15 23.068 2.103 3.784 110 2HB SER 15 2HB SER 15 23.793 1.904 2.192 111 HG SER 15 HG SER 15 24.097 0.397 4.521 112 HA PRO 16 HA PRO 16 29.043 2.175 2.600 113 1HB PRO 16 1HB PRO 16 30.560 4.057 3.863 114 2HB PRO 16 2HB PRO 16 29.727 4.354 2.328 115 1HG PRO 16 1HG PRO 16 29.134 5.414 4.991 116 2HG PRO 16 2HG PRO 16 28.596 5.986 3.405 117 1HD PRO 16 1HD PRO 16 27.127 4.400 5.313 118 2HD PRO 16 2HD PRO 16 26.575 5.030 3.752 119 H GLN 17 H GLN 17 28.597 3.307 5.975 120 HA GLN 17 HA GLN 17 30.653 1.697 7.115 121 1HB GLN 17 1HB GLN 17 28.200 3.060 8.139 122 2HB GLN 17 2HB GLN 17 28.940 1.833 9.169 123 1HG GLN 17 1HG GLN 17 31.168 3.138 8.513 124 2HG GLN 17 2HG GLN 17 30.035 4.467 8.272 125 1HE2 GLN 17 2HE2 GLN 17 31.493 5.199 10.278 126 2HE2 GLN 17 1HE2 GLN 17 30.858 4.814 11.805 127 H VAL 18 H VAL 18 27.211 1.060 6.559 128 HA VAL 18 HA VAL 18 27.274 -1.622 7.669 129 HB VAL 18 HB VAL 18 25.344 -0.216 5.810 130 1HG1 VAL 18 1HG1 VAL 18 25.566 -2.930 5.999 131 2HG1 VAL 18 2HG1 VAL 18 24.468 -2.596 7.338 132 3HG1 VAL 18 3HG1 VAL 18 24.042 -2.093 5.703 133 1HG2 VAL 18 1HG2 VAL 18 25.610 0.603 8.192 134 2HG2 VAL 18 2HG2 VAL 18 23.985 0.057 7.779 135 3HG2 VAL 18 3HG2 VAL 18 25.051 -0.982 8.724 136 H LEU 19 H LEU 19 27.291 -0.347 4.306 137 HA LEU 19 HA LEU 19 27.399 -2.741 2.887 138 1HB LEU 19 1HB LEU 19 28.208 -0.018 2.408 139 2HB LEU 19 2HB LEU 19 29.445 -1.105 1.777 140 HG LEU 19 HG LEU 19 27.645 -0.600 0.111 141 1HD1 LEU 19 1HD1 LEU 19 28.381 -3.309 1.077 142 2HD1 LEU 19 2HD1 LEU 19 27.014 -3.234 -0.035 143 3HD1 LEU 19 3HD1 LEU 19 28.582 -2.589 -0.521 144 1HD2 LEU 19 1HD2 LEU 19 25.971 -0.946 2.309 145 2HD2 LEU 19 2HD2 LEU 19 25.451 -0.820 0.629 146 3HD2 LEU 19 3HD2 LEU 19 25.707 -2.406 1.357 147 H ALA 20 H ALA 20 30.049 -1.125 4.613 148 HA ALA 20 HA ALA 20 32.147 -2.918 3.948 149 1HB ALA 20 1HB ALA 20 31.621 -1.461 6.560 150 2HB ALA 20 2HB ALA 20 33.161 -2.185 6.095 151 3HB ALA 20 3HB ALA 20 32.520 -0.816 5.186 152 H ALA 21 H ALA 21 29.854 -2.939 6.634 153 HA ALA 21 HA ALA 21 30.630 -5.290 7.963 154 1HB ALA 21 1HB ALA 21 27.886 -4.079 7.500 155 2HB ALA 21 2HB ALA 21 28.180 -5.404 8.626 156 3HB ALA 21 3HB ALA 21 28.936 -3.833 8.896 157 H VAL 22 H VAL 22 28.097 -5.024 5.477 158 HA VAL 22 HA VAL 22 27.571 -7.773 5.165 159 HB VAL 22 HB VAL 22 27.568 -5.669 2.975 160 1HG1 VAL 22 1HG1 VAL 22 27.350 -8.066 2.257 161 2HG1 VAL 22 2HG1 VAL 22 25.928 -8.201 3.291 162 3HG1 VAL 22 3HG1 VAL 22 25.915 -7.100 1.913 163 1HG2 VAL 22 1HG2 VAL 22 26.164 -5.622 5.372 164 2HG2 VAL 22 2HG2 VAL 22 25.702 -4.776 3.895 165 3HG2 VAL 22 3HG2 VAL 22 25.024 -6.365 4.250 166 H ILE 23 H ILE 23 30.274 -5.864 4.102 167 HA ILE 23 HA ILE 23 31.231 -7.872 2.192 168 HB ILE 23 HB ILE 23 32.156 -5.204 3.185 169 1HG1 ILE 23 1HG1 ILE 23 32.491 -4.924 0.688 170 2HG1 ILE 23 2HG1 ILE 23 31.833 -6.547 0.485 171 1HG2 ILE 23 1HG2 ILE 23 33.955 -7.289 1.915 172 2HG2 ILE 23 2HG2 ILE 23 34.329 -5.565 1.933 173 3HG2 ILE 23 3HG2 ILE 23 34.203 -6.457 3.450 174 1HD1 ILE 23 1HD1 ILE 23 29.885 -5.531 2.014 175 2HD1 ILE 23 2HD1 ILE 23 30.453 -4.027 1.293 176 3HD1 ILE 23 3HD1 ILE 23 29.883 -5.340 0.264 177 H PHE 24 H PHE 24 31.784 -6.990 5.547 178 HA PHE 24 HA PHE 24 34.192 -8.346 6.072 179 1HB PHE 24 1HB PHE 24 32.451 -7.002 7.627 180 2HB PHE 24 2HB PHE 24 31.968 -8.644 8.051 181 HD1 PHE 24 HD1 PHE 24 33.968 -10.310 8.564 182 HD2 PHE 24 HD2 PHE 24 34.243 -6.028 8.760 183 HE1 PHE 24 HE1 PHE 24 35.948 -10.505 10.045 184 HE2 PHE 24 HE2 PHE 24 36.222 -6.223 10.241 185 HZ PHE 24 HZ PHE 24 37.075 -8.461 10.884 186 H ILE 25 H ILE 25 30.853 -9.654 6.181 187 HA ILE 25 HA ILE 25 31.745 -12.394 6.575 188 HB ILE 25 HB ILE 25 29.146 -11.438 5.317 189 1HG1 ILE 25 1HG1 ILE 25 29.496 -12.122 8.227 190 2HG1 ILE 25 2HG1 ILE 25 29.867 -10.495 7.657 191 1HG2 ILE 25 1HG2 ILE 25 30.118 -13.973 5.503 192 2HG2 ILE 25 2HG2 ILE 25 29.284 -13.835 7.051 193 3HG2 ILE 25 3HG2 ILE 25 28.399 -13.582 5.547 194 1HD1 ILE 25 1HD1 ILE 25 27.529 -10.633 6.501 195 2HD1 ILE 25 2HD1 ILE 25 27.228 -11.939 7.647 196 3HD1 ILE 25 3HD1 ILE 25 27.602 -10.319 8.235 197 H TYR 26 H TYR 26 31.086 -10.329 3.787 198 HA TYR 26 HA TYR 26 31.239 -12.350 1.762 199 1HB TYR 26 1HB TYR 26 30.610 -9.787 1.623 200 2HB TYR 26 2HB TYR 26 32.337 -9.582 1.336 201 HD1 TYR 26 HD1 TYR 26 29.952 -12.280 0.296 202 HD2 TYR 26 HD2 TYR 26 32.643 -9.171 -0.941 203 HE1 TYR 26 HE1 TYR 26 29.638 -12.950 -2.071 204 HE2 TYR 26 HE2 TYR 26 32.332 -9.840 -3.308 205 HH TYR 26 HH TYR 26 29.845 -11.888 -4.321 206 H PHE 27 H PHE 27 33.555 -10.932 3.854 207 HA PHE 27 HA PHE 27 35.885 -11.640 2.215 208 1HB PHE 27 1HB PHE 27 35.495 -9.729 4.123 209 2HB PHE 27 2HB PHE 27 36.217 -11.009 5.100 210 HD1 PHE 27 HD1 PHE 27 36.705 -8.930 2.046 211 HD2 PHE 27 HD2 PHE 27 38.538 -11.542 4.923 212 HE1 PHE 27 HE1 PHE 27 38.941 -8.374 1.128 213 HE2 PHE 27 HE2 PHE 27 40.774 -10.986 4.002 214 HZ PHE 27 HZ PHE 27 40.974 -9.402 2.104 215 H ALA 28 H ALA 28 34.166 -12.720 5.094 216 HA ALA 28 HA ALA 28 35.796 -14.770 6.047 217 1HB ALA 28 1HB ALA 28 32.786 -14.640 5.699 218 2HB ALA 28 2HB ALA 28 33.587 -15.952 6.564 219 3HB ALA 28 3HB ALA 28 33.714 -14.296 7.159 220 H ALA 29 H ALA 29 33.339 -15.012 3.493 221 HA ALA 29 HA ALA 29 34.022 -17.692 2.671 222 1HB ALA 29 1HB ALA 29 32.431 -15.414 1.564 223 2HB ALA 29 2HB ALA 29 32.876 -16.725 0.472 224 3HB ALA 29 3HB ALA 29 31.921 -17.066 1.915 225 H LEU 30 H LEU 30 34.877 -14.491 1.501 226 HA LEU 30 HA LEU 30 36.474 -15.358 -0.733 227 1HB LEU 30 1HB LEU 30 36.371 -12.755 0.806 228 2HB LEU 30 2HB LEU 30 37.316 -12.979 -0.663 229 HG LEU 30 HG LEU 30 34.357 -13.584 -0.537 230 1HD1 LEU 30 1HD1 LEU 30 35.436 -11.067 -0.177 231 2HD1 LEU 30 2HD1 LEU 30 35.184 -11.127 -1.922 232 3HD1 LEU 30 3HD1 LEU 30 33.830 -11.398 -0.825 233 1HD2 LEU 30 1HD2 LEU 30 36.320 -13.056 -2.792 234 2HD2 LEU 30 2HD2 LEU 30 35.566 -14.602 -2.401 235 3HD2 LEU 30 3HD2 LEU 30 34.583 -13.270 -3.010 236 H SER 31 H SER 31 37.174 -16.236 2.242 237 HA SER 31 HA SER 31 39.564 -15.339 3.179 238 1HB SER 31 1HB SER 31 39.525 -18.270 2.790 239 2HB SER 31 2HB SER 31 39.757 -17.333 4.263 240 HG SER 31 HG SER 31 37.753 -18.390 4.285 241 HA PRO 32 HA PRO 32 42.039 -17.620 -0.275 242 1HB PRO 32 1HB PRO 32 40.610 -19.006 -2.144 243 2HB PRO 32 2HB PRO 32 41.112 -19.688 -0.589 244 1HG PRO 32 1HG PRO 32 38.436 -18.962 -1.503 245 2HG PRO 32 2HG PRO 32 38.918 -19.950 -0.116 246 1HD PRO 32 1HD PRO 32 38.091 -17.175 -0.147 247 2HD PRO 32 2HD PRO 32 38.433 -18.201 1.255 248 H ALA 33 H ALA 33 39.135 -15.925 -1.241 249 HA ALA 33 HA ALA 33 39.925 -15.300 -3.942 250 1HB ALA 33 1HB ALA 33 37.609 -15.058 -3.036 251 2HB ALA 33 2HB ALA 33 38.174 -13.691 -2.079 252 3HB ALA 33 3HB ALA 33 38.195 -13.600 -3.838 253 H ILE 34 H ILE 34 41.052 -14.260 -0.931 254 HA ILE 34 HA ILE 34 41.731 -11.673 -0.857 255 HB ILE 34 HB ILE 34 43.719 -13.945 -0.627 256 1HG1 ILE 34 1HG1 ILE 34 42.331 -12.392 1.565 257 2HG1 ILE 34 2HG1 ILE 34 41.631 -13.853 0.865 258 1HG2 ILE 34 1HG2 ILE 34 43.905 -11.017 0.103 259 2HG2 ILE 34 2HG2 ILE 34 44.913 -12.243 0.873 260 3HG2 ILE 34 3HG2 ILE 34 45.028 -11.971 -0.865 261 1HD1 ILE 34 1HD1 ILE 34 44.419 -13.714 2.046 262 2HD1 ILE 34 2HD1 ILE 34 43.002 -14.280 2.932 263 3HD1 ILE 34 3HD1 ILE 34 43.565 -15.162 1.512 264 H THR 35 H THR 35 43.132 -13.896 -3.262 265 HA THR 35 HA THR 35 44.887 -11.864 -4.376 266 HB THR 35 HB THR 35 43.921 -14.416 -5.690 267 HG1 THR 35 HG1 THR 35 45.486 -15.431 -4.615 268 1HG2 THR 35 1HG2 THR 35 45.391 -12.330 -6.726 269 2HG2 THR 35 2HG2 THR 35 46.648 -13.425 -6.151 270 3HG2 THR 35 3HG2 THR 35 45.447 -13.993 -7.310 271 H PHE 36 H PHE 36 41.842 -13.351 -5.482 272 HA PHE 36 HA PHE 36 41.357 -12.081 -7.861 273 1HB PHE 36 1HB PHE 36 39.684 -13.546 -6.921 274 2HB PHE 36 2HB PHE 36 39.421 -12.454 -5.561 275 HD1 PHE 36 HD1 PHE 36 39.583 -12.137 -9.305 276 HD2 PHE 36 HD2 PHE 36 37.454 -11.229 -5.686 277 HE1 PHE 36 HE1 PHE 36 37.874 -10.910 -10.617 278 HE2 PHE 36 HE2 PHE 36 35.745 -10.002 -7.000 279 HZ PHE 36 HZ PHE 36 35.956 -9.842 -9.465 280 H GLY 37 H GLY 37 40.742 -10.596 -4.661 281 1HA GLY 37 1HA GLY 37 40.894 -7.935 -6.027 282 2HA GLY 37 2HA GLY 37 39.730 -8.251 -4.738 283 H GLY 38 H GLY 38 41.005 -6.285 -3.841 284 1HA GLY 38 1HA GLY 38 42.349 -6.788 -1.546 285 2HA GLY 38 2HA GLY 38 43.645 -6.972 -2.726 286 H LEU 39 H LEU 39 43.083 -4.963 -4.540 287 HA LEU 39 HA LEU 39 44.216 -2.672 -3.405 288 1HB LEU 39 1HB LEU 39 43.287 -3.364 -5.925 289 2HB LEU 39 2HB LEU 39 42.247 -2.012 -5.475 290 HG LEU 39 HG LEU 39 45.153 -1.712 -4.898 291 1HD1 LEU 39 1HD1 LEU 39 43.959 -1.696 -7.681 292 2HD1 LEU 39 2HD1 LEU 39 45.479 -0.897 -7.279 293 3HD1 LEU 39 3HD1 LEU 39 45.329 -2.646 -7.106 294 1HD2 LEU 39 1HD2 LEU 39 42.856 0.018 -5.826 295 2HD2 LEU 39 2HD2 LEU 39 43.784 0.143 -4.332 296 3HD2 LEU 39 3HD2 LEU 39 44.520 0.599 -5.868 297 H LEU 40 H LEU 40 43.456 -1.368 -1.813 298 HA LEU 40 HA LEU 40 40.515 -1.248 -1.365 299 1HB LEU 40 1HB LEU 40 42.794 -0.280 0.393 300 2HB LEU 40 2HB LEU 40 41.089 -0.279 0.829 301 HG LEU 40 HG LEU 40 41.726 -2.256 1.826 302 1HD1 LEU 40 1HD1 LEU 40 41.227 -3.083 -1.048 303 2HD1 LEU 40 2HD1 LEU 40 41.227 -4.193 0.322 304 3HD1 LEU 40 3HD1 LEU 40 40.020 -2.911 0.226 305 1HD2 LEU 40 1HD2 LEU 40 43.887 -2.179 -0.215 306 2HD2 LEU 40 2HD2 LEU 40 43.980 -2.513 1.513 307 3HD2 LEU 40 3HD2 LEU 40 43.437 -3.768 0.400 308 H GLY 41 H GLY 41 43.351 0.830 -1.874 309 1HA GLY 41 1HA GLY 41 42.986 2.805 -3.374 310 2HA GLY 41 2HA GLY 41 41.459 3.057 -2.525 311 H GLU 42 H GLU 42 43.248 2.102 -0.069 312 HA GLU 42 HA GLU 42 43.658 4.763 0.973 313 1HB GLU 42 1HB GLU 42 43.178 2.892 2.473 314 2HB GLU 42 2HB GLU 42 44.658 2.077 1.963 315 1HG GLU 42 1HG GLU 42 45.141 3.188 4.047 316 2HG GLU 42 2HG GLU 42 45.941 4.100 2.767 317 H LYS 43 H LYS 43 45.998 2.175 0.160 318 HA LYS 43 HA LYS 43 48.330 2.348 -0.175 319 1HB LYS 43 1HB LYS 43 48.859 3.893 -2.075 320 2HB LYS 43 2HB LYS 43 47.480 2.841 -2.400 321 1HG LYS 43 1HG LYS 43 45.924 4.630 -1.853 322 2HG LYS 43 2HG LYS 43 47.254 5.683 -1.370 323 1HD LYS 43 1HD LYS 43 47.774 4.687 -4.012 324 2HD LYS 43 2HD LYS 43 46.144 5.362 -3.965 325 1HE LYS 43 1HE LYS 43 48.498 6.842 -2.790 326 2HE LYS 43 2HE LYS 43 48.065 6.994 -4.492 327 1HZ LYS 43 1HZ LYS 43 45.753 7.240 -2.902 328 2HZ LYS 43 2HZ LYS 43 46.937 8.316 -2.329 329 3HZ LYS 43 3HZ LYS 43 46.444 8.378 -3.953 Start of MODEL 3 1 1H ACE 1 HA1 ACE 1 31.755 -5.325 -9.597 2 2H ACE 1 HA2 ACE 1 32.137 -3.638 -9.251 3 3H ACE 1 HA3 ACE 1 30.751 -4.038 -10.266 4 H ARG 2 H ARG 2 31.223 -2.719 -7.449 5 HA ARG 2 HA ARG 2 29.217 -4.376 -5.979 6 1HB ARG 2 1HB ARG 2 31.615 -3.555 -5.053 7 2HB ARG 2 2HB ARG 2 30.641 -2.154 -4.604 8 1HG ARG 2 1HG ARG 2 30.673 -3.834 -2.791 9 2HG ARG 2 2HG ARG 2 29.046 -3.626 -3.438 10 1HD ARG 2 1HD ARG 2 29.940 -6.050 -3.087 11 2HD ARG 2 2HD ARG 2 29.107 -5.671 -4.594 12 HE ARG 2 HE ARG 2 31.237 -5.703 -5.736 13 1HH1 ARG 2 1HH1 ARG 2 32.605 -4.728 -3.066 14 2HH1 ARG 2 2HH1 ARG 2 33.675 -6.064 -2.799 15 1HH2 ARG 2 1HH2 ARG 2 32.093 -8.131 -5.089 16 2HH2 ARG 2 2HH2 ARG 2 33.382 -7.991 -3.941 17 H TYR 3 H TYR 3 30.114 -0.907 -6.175 18 HA TYR 3 HA TYR 3 27.470 -0.145 -7.080 19 1HB TYR 3 1HB TYR 3 28.108 -0.105 -4.171 20 2HB TYR 3 2HB TYR 3 27.253 1.294 -4.823 21 HD1 TYR 3 HD1 TYR 3 25.630 0.096 -6.966 22 HD2 TYR 3 HD2 TYR 3 26.479 -1.347 -3.011 23 HE1 TYR 3 HE1 TYR 3 23.521 -1.205 -6.991 24 HE2 TYR 3 HE2 TYR 3 24.367 -2.647 -3.033 25 HH TYR 3 HH TYR 3 22.320 -2.805 -4.122 26 HA PRO 4 HA PRO 4 30.844 2.969 -7.744 27 1HB PRO 4 1HB PRO 4 31.115 2.553 -10.424 28 2HB PRO 4 2HB PRO 4 32.022 1.638 -9.208 29 1HG PRO 4 1HG PRO 4 29.843 0.749 -10.951 30 2HG PRO 4 2HG PRO 4 31.022 -0.211 -10.045 31 1HD PRO 4 1HD PRO 4 28.280 0.352 -9.350 32 2HD PRO 4 2HD PRO 4 29.450 -0.652 -8.477 33 H TYR 5 H TYR 5 27.898 2.175 -9.521 34 HA TYR 5 HA TYR 5 27.689 4.914 -10.582 35 1HB TYR 5 1HB TYR 5 25.549 4.037 -11.586 36 2HB TYR 5 2HB TYR 5 26.996 3.166 -12.085 37 HD1 TYR 5 HD1 TYR 5 23.927 3.026 -10.054 38 HD2 TYR 5 HD2 TYR 5 27.449 0.902 -11.292 39 HE1 TYR 5 HE1 TYR 5 22.952 0.912 -9.200 40 HE2 TYR 5 HE2 TYR 5 26.476 -1.212 -10.434 41 HH TYR 5 HH TYR 5 24.055 -2.084 -10.017 42 H TYR 6 H TYR 6 25.829 2.790 -8.392 43 HA TYR 6 HA TYR 6 23.846 4.704 -7.684 44 1HB TYR 6 1HB TYR 6 24.454 2.083 -6.945 45 2HB TYR 6 2HB TYR 6 24.629 2.999 -5.448 46 HD1 TYR 6 HD1 TYR 6 22.709 4.843 -5.078 47 HD2 TYR 6 HD2 TYR 6 22.323 1.305 -7.483 48 HE1 TYR 6 HE1 TYR 6 20.241 4.960 -4.855 49 HE2 TYR 6 HE2 TYR 6 19.856 1.421 -7.259 50 HH TYR 6 HH TYR 6 18.196 3.933 -6.529 51 H LEU 7 H LEU 7 26.954 3.933 -6.099 52 HA LEU 7 HA LEU 7 26.722 5.898 -4.032 53 1HB LEU 7 1HB LEU 7 28.492 3.915 -4.558 54 2HB LEU 7 2HB LEU 7 29.432 5.312 -5.087 55 HG LEU 7 HG LEU 7 29.891 4.959 -2.736 56 1HD1 LEU 7 1HD1 LEU 7 29.463 7.319 -3.628 57 2HD1 LEU 7 2HD1 LEU 7 27.877 7.212 -2.864 58 3HD1 LEU 7 3HD1 LEU 7 29.337 7.118 -1.881 59 1HD2 LEU 7 1HD2 LEU 7 26.950 4.544 -2.664 60 2HD2 LEU 7 2HD2 LEU 7 28.218 3.769 -1.715 61 3HD2 LEU 7 3HD2 LEU 7 27.644 5.378 -1.274 62 H SER 8 H SER 8 28.176 6.033 -7.276 63 HA SER 8 HA SER 8 28.985 8.821 -6.923 64 1HB SER 8 1HB SER 8 29.825 6.792 -8.574 65 2HB SER 8 2HB SER 8 28.853 7.771 -9.670 66 HG SER 8 HG SER 8 30.534 9.025 -9.719 67 H ASP 9 H ASP 9 26.003 7.802 -6.961 68 HA ASP 9 HA ASP 9 24.978 9.389 -9.214 69 1HB ASP 9 1HB ASP 9 23.730 7.563 -7.170 70 2HB ASP 9 2HB ASP 9 22.729 8.633 -8.152 71 H ILE 10 H ILE 10 22.915 9.528 -6.503 72 HA ILE 10 HA ILE 10 23.458 12.416 -6.268 73 HB ILE 10 HB ILE 10 21.122 11.099 -6.440 74 1HG1 ILE 10 1HG1 ILE 10 21.513 13.557 -6.505 75 2HG1 ILE 10 2HG1 ILE 10 20.068 13.133 -5.587 76 1HG2 ILE 10 1HG2 ILE 10 21.593 11.432 -3.463 77 2HG2 ILE 10 2HG2 ILE 10 20.045 11.039 -4.212 78 3HG2 ILE 10 3HG2 ILE 10 21.388 9.900 -4.314 79 1HD1 ILE 10 1HD1 ILE 10 22.055 13.044 -3.667 80 2HD1 ILE 10 2HD1 ILE 10 22.549 14.404 -4.676 81 3HD1 ILE 10 3HD1 ILE 10 20.952 14.395 -3.928 82 H THR 11 H THR 11 23.471 9.502 -4.280 83 HA THR 11 HA THR 11 23.994 10.816 -1.781 84 HB THR 11 HB THR 11 24.741 8.544 -1.036 85 HG1 THR 11 HG1 THR 11 25.435 8.192 -3.406 86 1HG2 THR 11 1HG2 THR 11 22.256 9.391 -1.466 87 2HG2 THR 11 2HG2 THR 11 22.282 8.108 -2.677 88 3HG2 THR 11 3HG2 THR 11 22.581 7.726 -0.981 89 H ASP 12 H ASP 12 25.959 10.751 -4.471 90 HA ASP 12 HA ASP 12 28.508 10.212 -3.194 91 1HB ASP 12 1HB ASP 12 27.710 10.373 -5.787 92 2HB ASP 12 2HB ASP 12 28.461 11.956 -5.588 93 H ALA 13 H ALA 13 26.621 13.146 -3.865 94 HA ALA 13 HA ALA 13 28.724 14.741 -2.494 95 1HB ALA 13 1HB ALA 13 26.459 15.498 -4.344 96 2HB ALA 13 2HB ALA 13 27.348 16.700 -3.409 97 3HB ALA 13 3HB ALA 13 28.190 15.713 -4.603 98 H PHE 14 H PHE 14 26.180 13.040 -1.514 99 HA PHE 14 HA PHE 14 24.852 15.136 0.074 100 1HB PHE 14 1HB PHE 14 24.220 12.437 -0.800 101 2HB PHE 14 2HB PHE 14 23.918 12.643 0.924 102 HD1 PHE 14 HD1 PHE 14 23.563 14.810 -2.129 103 HD2 PHE 14 HD2 PHE 14 21.722 13.212 1.408 104 HE1 PHE 14 HE1 PHE 14 21.489 16.073 -2.638 105 HE2 PHE 14 HE2 PHE 14 19.648 14.474 0.900 106 HZ PHE 14 HZ PHE 14 19.532 15.906 -1.123 107 H SER 15 H SER 15 25.804 11.907 1.158 108 HA SER 15 HA SER 15 27.588 13.078 3.211 109 1HB SER 15 1HB SER 15 25.107 12.783 4.010 110 2HB SER 15 2HB SER 15 25.524 11.071 4.071 111 HG SER 15 HG SER 15 26.214 13.091 5.745 112 HA PRO 16 HA PRO 16 29.216 9.125 1.474 113 1HB PRO 16 1HB PRO 16 31.489 10.203 0.426 114 2HB PRO 16 2HB PRO 16 29.957 10.123 -0.461 115 1HG PRO 16 1HG PRO 16 31.329 12.454 0.662 116 2HG PRO 16 2HG PRO 16 30.041 12.381 -0.550 117 1HD PRO 16 1HD PRO 16 29.807 13.003 2.256 118 2HD PRO 16 2HD PRO 16 28.532 12.983 1.026 119 H GLN 17 H GLN 17 31.289 11.740 2.806 120 HA GLN 17 HA GLN 17 33.222 10.037 3.987 121 1HB GLN 17 1HB GLN 17 33.864 11.947 5.317 122 2HB GLN 17 2HB GLN 17 33.376 12.548 3.733 123 1HG GLN 17 1HG GLN 17 31.340 13.394 4.538 124 2HG GLN 17 2HG GLN 17 31.366 12.365 5.969 125 1HE2 GLN 17 2HE2 GLN 17 31.315 14.042 7.556 126 2HE2 GLN 17 1HE2 GLN 17 32.565 15.175 7.740 127 H VAL 18 H VAL 18 29.961 10.706 4.880 128 HA VAL 18 HA VAL 18 30.328 9.760 7.655 129 HB VAL 18 HB VAL 18 28.070 10.933 6.058 130 1HG1 VAL 18 1HG1 VAL 18 27.111 8.948 7.208 131 2HG1 VAL 18 2HG1 VAL 18 27.754 9.542 8.739 132 3HG1 VAL 18 3HG1 VAL 18 26.505 10.456 7.894 133 1HG2 VAL 18 1HG2 VAL 18 29.280 11.516 8.777 134 2HG2 VAL 18 2HG2 VAL 18 29.598 12.408 7.289 135 3HG2 VAL 18 3HG2 VAL 18 27.992 12.450 8.016 136 H LEU 19 H LEU 19 28.292 8.766 4.852 137 HA LEU 19 HA LEU 19 27.381 6.324 5.858 138 1HB LEU 19 1HB LEU 19 28.233 7.120 3.067 139 2HB LEU 19 2HB LEU 19 27.575 5.519 3.411 140 HG LEU 19 HG LEU 19 26.135 8.016 4.299 141 1HD1 LEU 19 1HD1 LEU 19 26.700 7.550 1.653 142 2HD1 LEU 19 2HD1 LEU 19 25.170 6.696 1.845 143 3HD1 LEU 19 3HD1 LEU 19 25.275 8.413 2.232 144 1HD2 LEU 19 1HD2 LEU 19 25.427 5.115 3.820 145 2HD2 LEU 19 2HD2 LEU 19 25.275 6.042 5.313 146 3HD2 LEU 19 3HD2 LEU 19 24.187 6.362 3.962 147 H ALA 20 H ALA 20 30.482 6.965 4.224 148 HA ALA 20 HA ALA 20 31.528 4.326 4.395 149 1HB ALA 20 1HB ALA 20 32.547 6.224 3.089 150 2HB ALA 20 2HB ALA 20 33.093 6.914 4.618 151 3HB ALA 20 3HB ALA 20 33.709 5.349 4.086 152 H ALA 21 H ALA 21 32.116 7.111 6.555 153 HA ALA 21 HA ALA 21 33.628 6.029 8.560 154 1HB ALA 21 1HB ALA 21 31.600 8.089 8.371 155 2HB ALA 21 2HB ALA 21 31.463 7.265 9.924 156 3HB ALA 21 3HB ALA 21 32.989 8.017 9.456 157 H VAL 22 H VAL 22 30.139 5.656 8.267 158 HA VAL 22 HA VAL 22 29.678 3.942 10.469 159 HB VAL 22 HB VAL 22 28.276 4.337 7.826 160 1HG1 VAL 22 1HG1 VAL 22 27.835 2.234 9.890 161 2HG1 VAL 22 2HG1 VAL 22 26.402 3.068 9.288 162 3HG1 VAL 22 3HG1 VAL 22 27.462 2.216 8.165 163 1HG2 VAL 22 1HG2 VAL 22 28.066 5.315 10.625 164 2HG2 VAL 22 2HG2 VAL 22 27.717 6.150 9.111 165 3HG2 VAL 22 3HG2 VAL 22 26.542 5.020 9.787 166 H ILE 23 H ILE 23 29.774 2.814 7.056 167 HA ILE 23 HA ILE 23 30.174 0.069 7.874 168 HB ILE 23 HB ILE 23 31.034 0.006 5.302 169 1HG1 ILE 23 1HG1 ILE 23 29.101 2.337 5.386 170 2HG1 ILE 23 2HG1 ILE 23 30.847 2.544 5.232 171 1HG2 ILE 23 1HG2 ILE 23 29.104 -1.197 6.272 172 2HG2 ILE 23 2HG2 ILE 23 28.149 0.284 6.195 173 3HG2 ILE 23 3HG2 ILE 23 28.702 -0.487 4.708 174 1HD1 ILE 23 1HD1 ILE 23 29.695 0.569 3.374 175 2HD1 ILE 23 2HD1 ILE 23 29.131 2.221 3.119 176 3HD1 ILE 23 3HD1 ILE 23 30.857 1.860 3.067 177 H PHE 24 H PHE 24 32.423 2.332 6.282 178 HA PHE 24 HA PHE 24 34.763 1.076 6.032 179 1HB PHE 24 1HB PHE 24 34.160 3.701 6.308 180 2HB PHE 24 2HB PHE 24 34.999 3.448 7.837 181 HD1 PHE 24 HD1 PHE 24 35.397 2.505 4.214 182 HD2 PHE 24 HD2 PHE 24 37.297 3.792 7.846 183 HE1 PHE 24 HE1 PHE 24 37.577 2.619 3.035 184 HE2 PHE 24 HE2 PHE 24 39.475 3.906 6.666 185 HZ PHE 24 HZ PHE 24 39.615 3.322 4.261 186 H ILE 25 H ILE 25 33.320 1.842 9.173 187 HA ILE 25 HA ILE 25 35.538 0.613 10.643 188 HB ILE 25 HB ILE 25 32.800 1.634 11.427 189 1HG1 ILE 25 1HG1 ILE 25 35.478 2.428 12.556 190 2HG1 ILE 25 2HG1 ILE 25 34.935 3.081 11.009 191 1HG2 ILE 25 1HG2 ILE 25 34.672 -0.137 12.948 192 2HG2 ILE 25 2HG2 ILE 25 33.861 1.160 13.826 193 3HG2 ILE 25 3HG2 ILE 25 32.910 -0.070 12.991 194 1HD1 ILE 25 1HD1 ILE 25 32.692 3.414 12.538 195 2HD1 ILE 25 2HD1 ILE 25 33.962 3.650 13.738 196 3HD1 ILE 25 3HD1 ILE 25 33.916 4.660 12.293 197 H TYR 26 H TYR 26 32.099 -0.319 10.088 198 HA TYR 26 HA TYR 26 32.413 -2.969 11.151 199 1HB TYR 26 1HB TYR 26 30.303 -1.500 10.123 200 2HB TYR 26 2HB TYR 26 30.555 -2.721 8.876 201 HD1 TYR 26 HD1 TYR 26 29.883 -2.204 12.491 202 HD2 TYR 26 HD2 TYR 26 30.037 -5.024 9.255 203 HE1 TYR 26 HE1 TYR 26 28.762 -3.898 13.914 204 HE2 TYR 26 HE2 TYR 26 28.915 -6.718 10.678 205 HH TYR 26 HH TYR 26 28.436 -7.229 12.889 206 H PHE 27 H PHE 27 32.083 -2.026 7.740 207 HA PHE 27 HA PHE 27 32.978 -4.228 6.381 208 1HB PHE 27 1HB PHE 27 32.881 -1.385 5.910 209 2HB PHE 27 2HB PHE 27 34.394 -2.016 5.262 210 HD1 PHE 27 HD1 PHE 27 30.908 -3.405 5.519 211 HD2 PHE 27 HD2 PHE 27 34.220 -2.391 2.981 212 HE1 PHE 27 HE1 PHE 27 29.684 -4.309 3.560 213 HE2 PHE 27 HE2 PHE 27 32.998 -3.297 1.022 214 HZ PHE 27 HZ PHE 27 30.730 -4.255 1.312 215 H ALA 28 H ALA 28 35.001 -1.815 8.032 216 HA ALA 28 HA ALA 28 37.558 -2.695 7.271 217 1HB ALA 28 1HB ALA 28 36.391 -1.219 9.547 218 2HB ALA 28 2HB ALA 28 37.945 -1.980 9.881 219 3HB ALA 28 3HB ALA 28 37.794 -0.826 8.555 220 H ALA 29 H ALA 29 35.702 -3.731 10.116 221 HA ALA 29 HA ALA 29 37.518 -5.549 11.209 222 1HB ALA 29 1HB ALA 29 35.249 -4.833 12.123 223 2HB ALA 29 2HB ALA 29 34.543 -6.058 11.070 224 3HB ALA 29 3HB ALA 29 35.665 -6.533 12.346 225 H LEU 30 H LEU 30 34.860 -6.421 8.988 226 HA LEU 30 HA LEU 30 36.363 -8.908 8.357 227 1HB LEU 30 1HB LEU 30 33.464 -8.304 7.741 228 2HB LEU 30 2HB LEU 30 34.264 -9.876 7.690 229 HG LEU 30 HG LEU 30 34.827 -9.105 10.243 230 1HD1 LEU 30 1HD1 LEU 30 32.872 -7.279 9.379 231 2HD1 LEU 30 2HD1 LEU 30 32.004 -8.448 10.374 232 3HD1 LEU 30 3HD1 LEU 30 33.381 -7.572 11.043 233 1HD2 LEU 30 1HD2 LEU 30 33.756 -11.237 9.275 234 2HD2 LEU 30 2HD2 LEU 30 33.251 -10.764 10.898 235 3HD2 LEU 30 3HD2 LEU 30 32.208 -10.429 9.516 236 H SER 31 H SER 31 37.168 -6.449 7.099 237 HA SER 31 HA SER 31 36.020 -6.611 4.394 238 1HB SER 31 1HB SER 31 36.450 -4.410 4.454 239 2HB SER 31 2HB SER 31 37.423 -4.586 5.911 240 HG SER 31 HG SER 31 38.460 -3.844 3.842 241 HA PRO 32 HA PRO 32 40.515 -7.973 3.442 242 1HB PRO 32 1HB PRO 32 42.428 -7.574 5.341 243 2HB PRO 32 2HB PRO 32 41.874 -6.300 4.242 244 1HG PRO 32 1HG PRO 32 41.467 -6.536 7.114 245 2HG PRO 32 2HG PRO 32 41.153 -5.154 6.052 246 1HD PRO 32 1HD PRO 32 39.268 -7.143 7.079 247 2HD PRO 32 2HD PRO 32 38.935 -5.600 6.282 248 H ALA 33 H ALA 33 39.277 -8.914 6.549 249 HA ALA 33 HA ALA 33 41.068 -11.022 7.191 250 1HB ALA 33 1HB ALA 33 39.004 -9.973 8.490 251 2HB ALA 33 2HB ALA 33 38.151 -11.338 7.768 252 3HB ALA 33 3HB ALA 33 39.540 -11.621 8.818 253 H ILE 34 H ILE 34 37.984 -11.195 5.368 254 HA ILE 34 HA ILE 34 38.361 -14.016 4.785 255 HB ILE 34 HB ILE 34 36.115 -13.039 4.906 256 1HG1 ILE 34 1HG1 ILE 34 35.759 -13.619 2.176 257 2HG1 ILE 34 2HG1 ILE 34 37.161 -14.568 2.673 258 1HG2 ILE 34 1HG2 ILE 34 36.885 -10.808 3.925 259 2HG2 ILE 34 2HG2 ILE 34 36.776 -11.575 2.342 260 3HG2 ILE 34 3HG2 ILE 34 35.333 -11.408 3.342 261 1HD1 ILE 34 1HD1 ILE 34 35.667 -15.151 4.760 262 2HD1 ILE 34 2HD1 ILE 34 34.340 -14.681 3.697 263 3HD1 ILE 34 3HD1 ILE 34 35.412 -16.005 3.238 264 H THR 35 H THR 35 38.897 -11.015 2.937 265 HA THR 35 HA THR 35 39.799 -12.596 0.621 266 HB THR 35 HB THR 35 38.426 -10.468 0.418 267 HG1 THR 35 HG1 THR 35 39.352 -10.137 -1.468 268 1HG2 THR 35 1HG2 THR 35 41.086 -9.279 1.243 269 2HG2 THR 35 2HG2 THR 35 39.768 -8.359 0.517 270 3HG2 THR 35 3HG2 THR 35 39.549 -9.121 2.093 271 H PHE 36 H PHE 36 41.355 -12.616 3.186 272 HA PHE 36 HA PHE 36 43.797 -11.130 2.455 273 1HB PHE 36 1HB PHE 36 42.784 -11.644 4.884 274 2HB PHE 36 2HB PHE 36 43.798 -13.076 4.715 275 HD1 PHE 36 HD1 PHE 36 43.809 -9.361 4.686 276 HD2 PHE 36 HD2 PHE 36 46.191 -12.935 4.791 277 HE1 PHE 36 HE1 PHE 36 45.819 -8.007 5.211 278 HE2 PHE 36 HE2 PHE 36 48.201 -11.579 5.318 279 HZ PHE 36 HZ PHE 36 48.014 -9.115 5.527 280 H GLY 37 H GLY 37 44.851 -12.112 0.751 281 1HA GLY 37 1HA GLY 37 46.633 -13.947 0.566 282 2HA GLY 37 2HA GLY 37 45.325 -15.060 0.962 283 H GLY 38 H GLY 38 46.979 -13.567 -1.580 284 1HA GLY 38 1HA GLY 38 46.503 -14.590 -3.821 285 2HA GLY 38 2HA GLY 38 44.793 -14.330 -3.477 286 H LEU 39 H LEU 39 45.056 -11.688 -2.364 287 HA LEU 39 HA LEU 39 44.791 -10.070 -4.641 288 1HB LEU 39 1HB LEU 39 45.308 -8.145 -3.066 289 2HB LEU 39 2HB LEU 39 44.034 -9.234 -2.518 290 HG LEU 39 HG LEU 39 46.354 -10.407 -1.537 291 1HD1 LEU 39 1HD1 LEU 39 46.688 -7.481 -1.821 292 2HD1 LEU 39 2HD1 LEU 39 47.032 -8.116 -0.211 293 3HD1 LEU 39 3HD1 LEU 39 47.907 -8.739 -1.610 294 1HD2 LEU 39 1HD2 LEU 39 44.169 -8.683 -0.404 295 2HD2 LEU 39 2HD2 LEU 39 44.468 -10.404 -0.160 296 3HD2 LEU 39 3HD2 LEU 39 45.486 -9.209 0.644 297 H LEU 40 H LEU 40 46.305 -9.730 -6.192 298 HA LEU 40 HA LEU 40 49.170 -9.599 -5.376 299 1HB LEU 40 1HB LEU 40 47.850 -10.865 -7.532 300 2HB LEU 40 2HB LEU 40 48.746 -9.519 -8.236 301 HG LEU 40 HG LEU 40 50.277 -10.967 -6.197 302 1HD1 LEU 40 1HD1 LEU 40 48.885 -12.814 -7.231 303 2HD1 LEU 40 2HD1 LEU 40 49.632 -12.417 -8.778 304 3HD1 LEU 40 3HD1 LEU 40 50.626 -13.000 -7.443 305 1HD2 LEU 40 1HD2 LEU 40 50.934 -9.235 -8.068 306 2HD2 LEU 40 2HD2 LEU 40 52.036 -10.554 -7.676 307 3HD2 LEU 40 3HD2 LEU 40 50.998 -10.665 -9.098 308 H GLY 41 H GLY 41 46.869 -7.461 -5.406 309 1HA GLY 41 1HA GLY 41 47.969 -5.085 -5.383 310 2HA GLY 41 2HA GLY 41 48.235 -5.419 -7.097 311 H GLU 42 H GLU 42 46.261 -3.703 -5.203 312 HA GLU 42 HA GLU 42 43.645 -4.473 -6.198 313 1HB GLU 42 1HB GLU 42 44.660 -2.698 -4.244 314 2HB GLU 42 2HB GLU 42 43.759 -1.706 -5.391 315 1HG GLU 42 1HG GLU 42 41.752 -2.831 -4.994 316 2HG GLU 42 2HG GLU 42 42.565 -4.283 -4.410 317 H LYS 43 H LYS 43 45.550 -1.488 -6.814 318 HA LYS 43 HA LYS 43 44.901 -1.674 -9.679 319 1HB LYS 43 1HB LYS 43 42.897 -0.584 -8.750 320 2HB LYS 43 2HB LYS 43 43.912 0.635 -7.978 321 1HG LYS 43 1HG LYS 43 43.339 1.744 -9.935 322 2HG LYS 43 2HG LYS 43 44.837 0.957 -10.437 323 1HD LYS 43 1HD LYS 43 43.270 -1.025 -11.116 324 2HD LYS 43 2HD LYS 43 42.000 0.199 -11.083 325 1HE LYS 43 1HE LYS 43 43.115 1.527 -12.739 326 2HE LYS 43 2HE LYS 43 44.580 0.551 -12.624 327 1HZ LYS 43 1HZ LYS 43 42.548 -1.219 -13.176 328 2HZ LYS 43 2HZ LYS 43 42.255 0.112 -14.191 329 3HZ LYS 43 3HZ LYS 43 43.752 -0.682 -14.248 Start of MODEL 4 1 1H ACE 1 HA1 ACE 1 25.600 -7.987 -8.251 2 2H ACE 1 HA2 ACE 1 27.167 -7.660 -7.509 3 3H ACE 1 HA3 ACE 1 26.085 -6.326 -7.911 4 H ARG 2 H ARG 2 26.898 -6.291 -5.370 5 HA ARG 2 HA ARG 2 24.731 -7.608 -3.787 6 1HB ARG 2 1HB ARG 2 27.459 -7.638 -3.361 7 2HB ARG 2 2HB ARG 2 26.920 -6.343 -2.290 8 1HG ARG 2 1HG ARG 2 26.716 -8.287 -0.963 9 2HG ARG 2 2HG ARG 2 25.076 -7.999 -1.545 10 1HD ARG 2 1HD ARG 2 25.526 -10.337 -1.871 11 2HD ARG 2 2HD ARG 2 25.591 -9.579 -3.462 12 HE ARG 2 HE ARG 2 28.027 -9.763 -3.388 13 1HH1 ARG 2 1HH1 ARG 2 27.812 -9.872 -0.233 14 2HH1 ARG 2 2HH1 ARG 2 28.451 -11.460 0.029 15 1HH2 ARG 2 1HH2 ARG 2 28.202 -12.401 -3.299 16 2HH2 ARG 2 2HH2 ARG 2 28.676 -12.890 -1.707 17 H TYR 3 H TYR 3 26.732 -4.680 -3.296 18 HA TYR 3 HA TYR 3 24.569 -2.824 -3.629 19 1HB TYR 3 1HB TYR 3 24.481 -4.274 -1.206 20 2HB TYR 3 2HB TYR 3 25.103 -2.680 -0.786 21 HD1 TYR 3 HD1 TYR 3 22.809 -3.443 -3.614 22 HD2 TYR 3 HD2 TYR 3 23.195 -1.772 0.325 23 HE1 TYR 3 HE1 TYR 3 20.521 -2.505 -3.786 24 HE2 TYR 3 HE2 TYR 3 20.908 -0.834 0.152 25 HH TYR 3 HH TYR 3 19.317 -0.356 -2.546 26 HA PRO 4 HA PRO 4 28.876 -1.067 -3.074 27 1HB PRO 4 1HB PRO 4 29.704 -1.105 -5.671 28 2HB PRO 4 2HB PRO 4 29.955 -2.461 -4.559 29 1HG PRO 4 1HG PRO 4 28.196 -2.293 -6.876 30 2HG PRO 4 2HG PRO 4 28.676 -3.714 -5.936 31 1HD PRO 4 1HD PRO 4 26.208 -2.167 -5.771 32 2HD PRO 4 2HD PRO 4 26.598 -3.728 -5.031 33 H TYR 5 H TYR 5 27.281 -0.523 -6.230 34 HA TYR 5 HA TYR 5 27.739 2.350 -6.064 35 1HB TYR 5 1HB TYR 5 27.817 1.295 -8.234 36 2HB TYR 5 2HB TYR 5 26.206 0.611 -8.013 37 HD1 TYR 5 HD1 TYR 5 28.104 3.760 -8.506 38 HD2 TYR 5 HD2 TYR 5 24.225 1.919 -8.377 39 HE1 TYR 5 HE1 TYR 5 27.098 5.811 -9.472 40 HE2 TYR 5 HE2 TYR 5 23.220 3.970 -9.341 41 HH TYR 5 HH TYR 5 23.797 5.897 -10.564 42 H TYR 6 H TYR 6 25.140 0.185 -5.242 43 HA TYR 6 HA TYR 6 23.037 2.186 -5.293 44 1HB TYR 6 1HB TYR 6 23.278 -0.563 -4.064 45 2HB TYR 6 2HB TYR 6 21.836 0.431 -3.860 46 HD1 TYR 6 HD1 TYR 6 20.780 1.412 -6.037 47 HD2 TYR 6 HD2 TYR 6 23.507 -1.905 -5.975 48 HE1 TYR 6 HE1 TYR 6 19.979 0.714 -8.277 49 HE2 TYR 6 HE2 TYR 6 22.707 -2.605 -8.216 50 HH TYR 6 HH TYR 6 20.008 -0.936 -9.804 51 H LEU 7 H LEU 7 25.017 0.758 -2.682 52 HA LEU 7 HA LEU 7 23.785 2.526 -0.694 53 1HB LEU 7 1HB LEU 7 24.967 0.075 -0.534 54 2HB LEU 7 2HB LEU 7 26.285 1.119 0.000 55 HG LEU 7 HG LEU 7 24.630 2.222 1.578 56 1HD1 LEU 7 1HD1 LEU 7 22.778 0.774 0.102 57 2HD1 LEU 7 2HD1 LEU 7 22.902 -0.143 1.603 58 3HD1 LEU 7 3HD1 LEU 7 22.465 1.565 1.646 59 1HD2 LEU 7 1HD2 LEU 7 26.299 0.361 2.159 60 2HD2 LEU 7 2HD2 LEU 7 24.937 0.561 3.262 61 3HD2 LEU 7 3HD2 LEU 7 24.928 -0.746 2.079 62 H SER 8 H SER 8 26.907 2.258 -2.354 63 HA SER 8 HA SER 8 27.991 4.584 -0.944 64 1HB SER 8 1HB SER 8 29.360 2.599 -1.736 65 2HB SER 8 2HB SER 8 29.134 3.196 -3.376 66 HG SER 8 HG SER 8 31.064 3.983 -2.437 67 H ASP 9 H ASP 9 25.551 4.845 -2.743 68 HA ASP 9 HA ASP 9 26.572 6.542 -4.922 69 1HB ASP 9 1HB ASP 9 24.135 5.089 -4.371 70 2HB ASP 9 2HB ASP 9 23.765 6.769 -4.756 71 H ILE 10 H ILE 10 23.983 7.081 -2.502 72 HA ILE 10 HA ILE 10 24.613 9.958 -2.552 73 HB ILE 10 HB ILE 10 22.502 8.573 -0.886 74 1HG1 ILE 10 1HG1 ILE 10 22.386 8.001 -3.367 75 2HG1 ILE 10 2HG1 ILE 10 20.965 8.819 -2.717 76 1HG2 ILE 10 1HG2 ILE 10 23.276 11.343 -1.517 77 2HG2 ILE 10 2HG2 ILE 10 21.556 11.014 -1.728 78 3HG2 ILE 10 3HG2 ILE 10 22.325 10.719 -0.169 79 1HD1 ILE 10 1HD1 ILE 10 23.221 10.387 -3.957 80 2HD1 ILE 10 2HD1 ILE 10 21.941 9.694 -4.953 81 3HD1 ILE 10 3HD1 ILE 10 21.546 10.879 -3.708 82 H THR 11 H THR 11 25.099 7.195 -0.477 83 HA THR 11 HA THR 11 25.517 8.595 1.988 84 HB THR 11 HB THR 11 25.242 6.072 1.635 85 HG1 THR 11 HG1 THR 11 27.525 6.556 3.167 86 1HG2 THR 11 1HG2 THR 11 27.022 5.943 -0.126 87 2HG2 THR 11 2HG2 THR 11 28.222 6.253 1.128 88 3HG2 THR 11 3HG2 THR 11 27.245 4.786 1.186 89 H ASP 12 H ASP 12 27.633 7.960 -0.769 90 HA ASP 12 HA ASP 12 30.054 8.792 0.603 91 1HB ASP 12 1HB ASP 12 29.905 7.330 -1.496 92 2HB ASP 12 2HB ASP 12 29.605 8.824 -2.386 93 H ALA 13 H ALA 13 27.372 10.511 -0.412 94 HA ALA 13 HA ALA 13 28.803 12.907 -1.311 95 1HB ALA 13 1HB ALA 13 26.334 12.019 -1.873 96 2HB ALA 13 2HB ALA 13 25.940 13.039 -0.490 97 3HB ALA 13 3HB ALA 13 26.737 13.735 -1.901 98 H PHE 14 H PHE 14 26.569 12.257 1.415 99 HA PHE 14 HA PHE 14 27.558 14.612 2.835 100 1HB PHE 14 1HB PHE 14 25.652 12.408 3.670 101 2HB PHE 14 2HB PHE 14 25.984 13.857 4.617 102 HD1 PHE 14 HD1 PHE 14 26.261 15.795 2.266 103 HD2 PHE 14 HD2 PHE 14 23.331 12.791 3.191 104 HE1 PHE 14 HE1 PHE 14 24.570 17.038 0.947 105 HE2 PHE 14 HE2 PHE 14 21.640 14.036 1.872 106 HZ PHE 14 HZ PHE 14 22.260 16.159 0.750 107 H SER 15 H SER 15 28.993 11.735 2.345 108 HA SER 15 HA SER 15 30.471 11.943 4.891 109 1HB SER 15 1HB SER 15 28.529 10.221 5.030 110 2HB SER 15 2HB SER 15 29.532 9.236 3.970 111 HG SER 15 HG SER 15 29.901 9.986 6.624 112 HA PRO 16 HA PRO 16 33.278 10.992 1.345 113 1HB PRO 16 1HB PRO 16 34.516 13.420 1.275 114 2HB PRO 16 2HB PRO 16 33.018 13.082 0.390 115 1HG PRO 16 1HG PRO 16 33.430 14.809 2.700 116 2HG PRO 16 2HG PRO 16 32.019 14.680 1.639 117 1HD PRO 16 1HD PRO 16 32.435 13.492 4.274 118 2HD PRO 16 2HD PRO 16 30.946 13.596 3.322 119 H GLN 17 H GLN 17 34.465 13.406 3.694 120 HA GLN 17 HA GLN 17 37.022 12.220 4.039 121 1HB GLN 17 1HB GLN 17 36.574 14.501 4.784 122 2HB GLN 17 2HB GLN 17 35.398 13.915 5.959 123 1HG GLN 17 1HG GLN 17 37.008 13.194 7.415 124 2HG GLN 17 2HG GLN 17 38.104 12.708 6.122 125 1HE2 GLN 17 2HE2 GLN 17 39.460 14.401 5.135 126 2HE2 GLN 17 1HE2 GLN 17 39.718 15.878 5.929 127 H VAL 18 H VAL 18 34.084 11.927 6.016 128 HA VAL 18 HA VAL 18 35.114 10.024 7.883 129 HB VAL 18 HB VAL 18 32.298 10.410 6.856 130 1HG1 VAL 18 1HG1 VAL 18 33.397 8.380 8.514 131 2HG1 VAL 18 2HG1 VAL 18 32.465 9.454 9.558 132 3HG1 VAL 18 3HG1 VAL 18 31.693 8.685 8.171 133 1HG2 VAL 18 1HG2 VAL 18 33.958 12.080 8.416 134 2HG2 VAL 18 2HG2 VAL 18 32.222 12.250 8.158 135 3HG2 VAL 18 3HG2 VAL 18 32.822 11.337 9.542 136 H LEU 19 H LEU 19 34.063 9.719 4.569 137 HA LEU 19 HA LEU 19 33.422 6.943 4.546 138 1HB LEU 19 1HB LEU 19 33.099 8.474 2.598 139 2HB LEU 19 2HB LEU 19 34.847 8.515 2.373 140 HG LEU 19 HG LEU 19 34.546 5.866 2.406 141 1HD1 LEU 19 1HD1 LEU 19 31.914 6.622 2.611 142 2HD1 LEU 19 2HD1 LEU 19 32.087 6.406 0.869 143 3HD1 LEU 19 3HD1 LEU 19 32.460 5.075 1.964 144 1HD2 LEU 19 1HD2 LEU 19 34.765 7.908 0.407 145 2HD2 LEU 19 2HD2 LEU 19 35.344 6.243 0.335 146 3HD2 LEU 19 3HD2 LEU 19 33.714 6.635 -0.214 147 H ALA 20 H ALA 20 36.547 8.537 3.855 148 HA ALA 20 HA ALA 20 38.112 6.183 3.631 149 1HB ALA 20 1HB ALA 20 38.683 9.028 4.389 150 2HB ALA 20 2HB ALA 20 39.952 7.819 4.592 151 3HB ALA 20 3HB ALA 20 39.256 8.109 2.997 152 H ALA 21 H ALA 21 37.672 8.262 6.490 153 HA ALA 21 HA ALA 21 39.107 6.844 8.405 154 1HB ALA 21 1HB ALA 21 37.646 9.009 8.590 155 2HB ALA 21 2HB ALA 21 36.347 7.899 9.026 156 3HB ALA 21 3HB ALA 21 37.806 7.982 10.015 157 H VAL 22 H VAL 22 35.677 6.374 7.684 158 HA VAL 22 HA VAL 22 35.195 4.144 9.325 159 HB VAL 22 HB VAL 22 33.967 5.031 6.707 160 1HG1 VAL 22 1HG1 VAL 22 33.755 2.561 6.910 161 2HG1 VAL 22 2HG1 VAL 22 33.034 2.771 8.507 162 3HG1 VAL 22 3HG1 VAL 22 32.197 3.371 7.075 163 1HG2 VAL 22 1HG2 VAL 22 33.673 6.310 8.909 164 2HG2 VAL 22 2HG2 VAL 22 32.189 5.823 8.090 165 3HG2 VAL 22 3HG2 VAL 22 32.768 4.909 9.483 166 H ILE 23 H ILE 23 36.418 4.260 5.989 167 HA ILE 23 HA ILE 23 36.475 1.384 5.672 168 HB ILE 23 HB ILE 23 37.991 3.560 4.208 169 1HG1 ILE 23 1HG1 ILE 23 35.535 3.787 4.058 170 2HG1 ILE 23 2HG1 ILE 23 36.209 3.285 2.508 171 1HG2 ILE 23 1HG2 ILE 23 37.913 0.613 3.975 172 2HG2 ILE 23 2HG2 ILE 23 37.679 1.479 2.457 173 3HG2 ILE 23 3HG2 ILE 23 39.135 1.755 3.412 174 1HD1 ILE 23 1HD1 ILE 23 35.719 0.886 3.216 175 2HD1 ILE 23 2HD1 ILE 23 34.786 1.565 4.550 176 3HD1 ILE 23 3HD1 ILE 23 34.304 1.885 2.884 177 H PHE 24 H PHE 24 38.604 3.675 7.154 178 HA PHE 24 HA PHE 24 41.045 2.178 6.958 179 1HB PHE 24 1HB PHE 24 40.515 4.634 7.879 180 2HB PHE 24 2HB PHE 24 40.432 3.782 9.422 181 HD1 PHE 24 HD1 PHE 24 42.408 2.317 10.116 182 HD2 PHE 24 HD2 PHE 24 42.601 5.116 6.862 183 HE1 PHE 24 HE1 PHE 24 44.886 2.266 10.218 184 HE2 PHE 24 HE2 PHE 24 45.078 5.064 6.965 185 HZ PHE 24 HZ PHE 24 46.221 3.641 8.644 186 H ILE 25 H ILE 25 38.584 2.343 9.552 187 HA ILE 25 HA ILE 25 39.746 0.064 10.961 188 HB ILE 25 HB ILE 25 36.989 1.323 11.213 189 1HG1 ILE 25 1HG1 ILE 25 38.871 1.891 13.346 190 2HG1 ILE 25 2HG1 ILE 25 39.523 2.411 11.792 191 1HG2 ILE 25 1HG2 ILE 25 38.582 -0.551 12.987 192 2HG2 ILE 25 2HG2 ILE 25 37.138 0.308 13.523 193 3HG2 ILE 25 3HG2 ILE 25 37.027 -0.876 12.221 194 1HD1 ILE 25 1HD1 ILE 25 36.783 3.144 11.809 195 2HD1 ILE 25 2HD1 ILE 25 37.450 3.638 13.365 196 3HD1 ILE 25 3HD1 ILE 25 38.183 4.215 11.868 197 H TYR 26 H TYR 26 37.395 0.599 8.423 198 HA TYR 26 HA TYR 26 36.169 -2.026 8.563 199 1HB TYR 26 1HB TYR 26 35.614 0.268 7.151 200 2HB TYR 26 2HB TYR 26 36.344 -0.742 5.905 201 HD1 TYR 26 HD1 TYR 26 34.080 -1.342 8.841 202 HD2 TYR 26 HD2 TYR 26 34.775 -1.896 4.638 203 HE1 TYR 26 HE1 TYR 26 31.973 -2.636 8.664 204 HE2 TYR 26 HE2 TYR 26 32.666 -3.191 4.461 205 HH TYR 26 HH TYR 26 30.309 -3.106 6.204 206 H PHE 27 H PHE 27 39.140 -0.730 7.454 207 HA PHE 27 HA PHE 27 39.779 -2.939 5.640 208 1HB PHE 27 1HB PHE 27 40.633 -0.489 5.492 209 2HB PHE 27 2HB PHE 27 41.729 -0.937 6.799 210 HD1 PHE 27 HD1 PHE 27 43.151 -3.088 6.459 211 HD2 PHE 27 HD2 PHE 27 41.204 -0.983 3.260 212 HE1 PHE 27 HE1 PHE 27 44.666 -4.173 4.823 213 HE2 PHE 27 HE2 PHE 27 42.720 -2.069 1.625 214 HZ PHE 27 HZ PHE 27 44.451 -3.663 2.406 215 H ALA 28 H ALA 28 40.689 -1.756 8.841 216 HA ALA 28 HA ALA 28 42.606 -3.637 9.627 217 1HB ALA 28 1HB ALA 28 41.184 -1.640 10.864 218 2HB ALA 28 2HB ALA 28 40.513 -3.075 11.639 219 3HB ALA 28 3HB ALA 28 42.247 -2.764 11.711 220 H ALA 29 H ALA 29 39.087 -3.852 9.973 221 HA ALA 29 HA ALA 29 39.084 -6.615 10.855 222 1HB ALA 29 1HB ALA 29 37.040 -4.605 9.975 223 2HB ALA 29 2HB ALA 29 36.577 -6.300 10.125 224 3HB ALA 29 3HB ALA 29 37.191 -5.426 11.529 225 H LEU 30 H LEU 30 38.444 -4.954 7.827 226 HA LEU 30 HA LEU 30 37.555 -7.154 6.281 227 1HB LEU 30 1HB LEU 30 38.793 -4.512 5.630 228 2HB LEU 30 2HB LEU 30 38.641 -5.703 4.349 229 HG LEU 30 HG LEU 30 36.685 -3.934 4.959 230 1HD1 LEU 30 1HD1 LEU 30 36.968 -6.319 3.437 231 2HD1 LEU 30 2HD1 LEU 30 35.377 -6.361 4.197 232 3HD1 LEU 30 3HD1 LEU 30 35.832 -4.993 3.182 233 1HD2 LEU 30 1HD2 LEU 30 36.458 -5.048 7.246 234 2HD2 LEU 30 2HD2 LEU 30 34.969 -4.916 6.309 235 3HD2 LEU 30 3HD2 LEU 30 35.824 -6.457 6.395 236 H SER 31 H SER 31 40.569 -6.967 7.689 237 HA SER 31 HA SER 31 42.560 -7.548 5.955 238 1HB SER 31 1HB SER 31 43.496 -8.135 7.914 239 2HB SER 31 2HB SER 31 41.909 -8.385 8.634 240 HG SER 31 HG SER 31 43.595 -10.227 8.212 241 HA PRO 32 HA PRO 32 40.825 -11.928 4.931 242 1HB PRO 32 1HB PRO 32 38.635 -12.777 6.312 243 2HB PRO 32 2HB PRO 32 40.289 -12.922 6.930 244 1HG PRO 32 1HG PRO 32 38.128 -11.193 7.858 245 2HG PRO 32 2HG PRO 32 39.666 -11.583 8.643 246 1HD PRO 32 1HD PRO 32 38.957 -9.212 7.113 247 2HD PRO 32 2HD PRO 32 40.406 -9.505 8.087 248 H ALA 33 H ALA 33 38.460 -9.396 5.385 249 HA ALA 33 HA ALA 33 36.476 -10.505 3.557 250 1HB ALA 33 1HB ALA 33 36.855 -7.763 4.742 251 2HB ALA 33 2HB ALA 33 35.449 -8.253 3.804 252 3HB ALA 33 3HB ALA 33 35.791 -9.028 5.353 253 H ILE 34 H ILE 34 39.425 -9.060 3.079 254 HA ILE 34 HA ILE 34 39.221 -7.142 1.131 255 HB ILE 34 HB ILE 34 41.259 -8.105 0.062 256 1HG1 ILE 34 1HG1 ILE 34 41.657 -10.223 1.999 257 2HG1 ILE 34 2HG1 ILE 34 40.195 -10.517 1.055 258 1HG2 ILE 34 1HG2 ILE 34 40.963 -7.030 2.581 259 2HG2 ILE 34 2HG2 ILE 34 41.870 -8.505 2.909 260 3HG2 ILE 34 3HG2 ILE 34 42.507 -7.312 1.780 261 1HD1 ILE 34 1HD1 ILE 34 41.542 -10.056 -1.026 262 2HD1 ILE 34 2HD1 ILE 34 42.984 -10.012 -0.012 263 3HD1 ILE 34 3HD1 ILE 34 42.046 -11.500 -0.147 264 H THR 35 H THR 35 38.239 -10.517 0.739 265 HA THR 35 HA THR 35 38.025 -10.221 -2.168 266 HB THR 35 HB THR 35 38.530 -12.429 -1.053 267 HG1 THR 35 HG1 THR 35 36.707 -11.889 -3.019 268 1HG2 THR 35 1HG2 THR 35 35.858 -11.914 0.092 269 2HG2 THR 35 2HG2 THR 35 36.079 -13.531 -0.562 270 3HG2 THR 35 3HG2 THR 35 37.162 -12.929 0.691 271 H PHE 36 H PHE 36 35.832 -10.132 0.596 272 HA PHE 36 HA PHE 36 33.352 -10.100 -0.702 273 1HB PHE 36 1HB PHE 36 33.003 -9.964 1.558 274 2HB PHE 36 2HB PHE 36 34.464 -9.021 1.825 275 HD1 PHE 36 HD1 PHE 36 30.876 -8.873 0.979 276 HD2 PHE 36 HD2 PHE 36 34.436 -6.588 1.718 277 HE1 PHE 36 HE1 PHE 36 29.510 -6.815 1.199 278 HE2 PHE 36 HE2 PHE 36 33.070 -4.529 1.939 279 HZ PHE 36 HZ PHE 36 30.607 -4.644 1.679 280 H GLY 37 H GLY 37 35.834 -7.609 -0.536 281 1HA GLY 37 1HA GLY 37 34.077 -5.764 -2.087 282 2HA GLY 37 2HA GLY 37 35.537 -5.282 -1.221 283 H GLY 38 H GLY 38 34.376 -7.048 -4.069 284 1HA GLY 38 1HA GLY 38 37.005 -6.445 -5.354 285 2HA GLY 38 2HA GLY 38 36.264 -8.035 -5.542 286 H LEU 39 H LEU 39 33.810 -5.791 -5.372 287 HA LEU 39 HA LEU 39 33.308 -5.999 -8.260 288 1HB LEU 39 1HB LEU 39 31.770 -5.057 -5.865 289 2HB LEU 39 2HB LEU 39 31.261 -4.523 -7.466 290 HG LEU 39 HG LEU 39 30.163 -6.660 -6.634 291 1HD1 LEU 39 1HD1 LEU 39 31.812 -6.792 -9.176 292 2HD1 LEU 39 2HD1 LEU 39 30.406 -7.796 -8.818 293 3HD1 LEU 39 3HD1 LEU 39 30.217 -6.054 -9.017 294 1HD2 LEU 39 1HD2 LEU 39 32.277 -7.560 -5.607 295 2HD2 LEU 39 2HD2 LEU 39 31.475 -8.701 -6.685 296 3HD2 LEU 39 3HD2 LEU 39 32.900 -7.821 -7.237 297 H LEU 40 H LEU 40 35.312 -4.061 -6.631 298 HA LEU 40 HA LEU 40 34.458 -1.447 -7.620 299 1HB LEU 40 1HB LEU 40 36.147 -2.250 -5.624 300 2HB LEU 40 2HB LEU 40 37.296 -1.816 -6.891 301 HG LEU 40 HG LEU 40 36.879 0.177 -5.604 302 1HD1 LEU 40 1HD1 LEU 40 36.839 0.278 -8.173 303 2HD1 LEU 40 2HD1 LEU 40 35.089 0.441 -8.027 304 3HD1 LEU 40 3HD1 LEU 40 36.151 1.659 -7.320 305 1HD2 LEU 40 1HD2 LEU 40 34.173 -0.925 -5.537 306 2HD2 LEU 40 2HD2 LEU 40 34.938 0.231 -4.446 307 3HD2 LEU 40 3HD2 LEU 40 34.180 0.794 -5.936 308 H GLY 41 H GLY 41 37.444 -3.323 -8.282 309 1HA GLY 41 1HA GLY 41 38.283 -1.968 -10.561 310 2HA GLY 41 2HA GLY 41 38.535 -3.701 -10.339 311 H GLU 42 H GLU 42 37.667 -1.941 -12.729 312 HA GLU 42 HA GLU 42 34.965 -2.795 -13.352 313 1HB GLU 42 1HB GLU 42 37.097 -1.245 -14.646 314 2HB GLU 42 2HB GLU 42 36.154 -2.215 -15.778 315 1HG GLU 42 1HG GLU 42 34.072 -1.249 -14.899 316 2HG GLU 42 2HG GLU 42 34.995 -0.300 -13.732 317 H LYS 43 H LYS 43 37.973 -4.371 -13.359 318 HA LYS 43 HA LYS 43 37.287 -6.233 -15.542 319 1HB LYS 43 1HB LYS 43 39.620 -6.124 -13.607 320 2HB LYS 43 2HB LYS 43 39.445 -7.335 -14.877 321 1HG LYS 43 1HG LYS 43 40.438 -5.895 -16.291 322 2HG LYS 43 2HG LYS 43 39.020 -4.855 -16.141 323 1HD LYS 43 1HD LYS 43 40.776 -3.435 -15.488 324 2HD LYS 43 2HD LYS 43 40.155 -4.026 -13.945 325 1HE LYS 43 1HE LYS 43 41.956 -5.485 -13.628 326 2HE LYS 43 2HE LYS 43 42.354 -5.523 -15.346 327 1HZ LYS 43 1HZ LYS 43 42.530 -2.878 -14.482 328 2HZ LYS 43 2HZ LYS 43 43.374 -3.831 -13.357 329 3HZ LYS 43 3HZ LYS 43 43.785 -3.892 -15.004 Start of MODEL 5 1 1H ACE 1 HA1 ACE 1 21.473 0.170 -19.329 2 2H ACE 1 HA2 ACE 1 21.125 -1.557 -19.402 3 3H ACE 1 HA3 ACE 1 21.898 -0.755 -20.770 4 H ARG 2 H ARG 2 23.091 0.468 -17.860 5 HA ARG 2 HA ARG 2 25.421 -1.403 -18.002 6 1HB ARG 2 1HB ARG 2 25.741 1.048 -18.764 7 2HB ARG 2 2HB ARG 2 25.611 1.458 -17.055 8 1HG ARG 2 1HG ARG 2 27.615 0.469 -16.520 9 2HG ARG 2 2HG ARG 2 27.452 -0.773 -17.762 10 1HD ARG 2 1HD ARG 2 27.617 1.618 -19.200 11 2HD ARG 2 2HD ARG 2 28.799 1.807 -17.905 12 HE ARG 2 HE ARG 2 29.271 -0.746 -18.897 13 1HH1 ARG 2 1HH1 ARG 2 29.536 2.546 -19.819 14 2HH1 ARG 2 2HH1 ARG 2 30.467 2.219 -21.242 15 1HH2 ARG 2 1HH2 ARG 2 30.291 -1.222 -20.894 16 2HH2 ARG 2 2HH2 ARG 2 30.894 0.091 -21.848 17 H TYR 3 H TYR 3 24.528 1.124 -15.636 18 HA TYR 3 HA TYR 3 24.633 0.965 -13.274 19 1HB TYR 3 1HB TYR 3 22.934 -0.962 -12.581 20 2HB TYR 3 2HB TYR 3 22.365 0.527 -13.332 21 HD1 TYR 3 HD1 TYR 3 21.713 0.579 -15.706 22 HD2 TYR 3 HD2 TYR 3 22.964 -3.063 -13.801 23 HE1 TYR 3 HE1 TYR 3 20.788 -0.729 -17.598 24 HE2 TYR 3 HE2 TYR 3 22.039 -4.370 -15.696 25 HH TYR 3 HH TYR 3 21.497 -3.377 -18.522 26 HA PRO 4 HA PRO 4 27.635 -2.484 -12.889 27 1HB PRO 4 1HB PRO 4 29.678 -0.911 -12.007 28 2HB PRO 4 2HB PRO 4 29.325 -1.167 -13.724 29 1HG PRO 4 1HG PRO 4 28.940 1.233 -12.088 30 2HG PRO 4 2HG PRO 4 29.011 1.071 -13.849 31 1HD PRO 4 1HD PRO 4 26.673 1.341 -12.190 32 2HD PRO 4 2HD PRO 4 26.753 1.205 -13.954 33 H TYR 5 H TYR 5 28.121 0.221 -10.599 34 HA TYR 5 HA TYR 5 28.256 -1.605 -8.344 35 1HB TYR 5 1HB TYR 5 28.705 1.237 -8.849 36 2HB TYR 5 2HB TYR 5 27.901 0.953 -7.304 37 HD1 TYR 5 HD1 TYR 5 28.898 -1.150 -5.948 38 HD2 TYR 5 HD2 TYR 5 31.028 1.163 -8.876 39 HE1 TYR 5 HE1 TYR 5 31.052 -1.887 -4.964 40 HE2 TYR 5 HE2 TYR 5 33.181 0.425 -7.892 41 HH TYR 5 HH TYR 5 33.750 -1.963 -6.297 42 H TYR 6 H TYR 6 25.780 0.518 -9.699 43 HA TYR 6 HA TYR 6 23.903 0.776 -7.702 44 1HB TYR 6 1HB TYR 6 23.678 1.398 -10.172 45 2HB TYR 6 2HB TYR 6 23.148 -0.262 -10.438 46 HD1 TYR 6 HD1 TYR 6 21.214 -1.132 -8.916 47 HD2 TYR 6 HD2 TYR 6 22.115 3.025 -9.518 48 HE1 TYR 6 HE1 TYR 6 18.927 -0.528 -8.172 49 HE2 TYR 6 HE2 TYR 6 19.828 3.628 -8.774 50 HH TYR 6 HH TYR 6 17.908 1.787 -7.064 51 H LEU 7 H LEU 7 24.501 -2.136 -9.618 52 HA LEU 7 HA LEU 7 22.418 -3.695 -8.365 53 1HB LEU 7 1HB LEU 7 24.411 -4.055 -10.412 54 2HB LEU 7 2HB LEU 7 24.431 -5.438 -9.315 55 HG LEU 7 HG LEU 7 22.808 -5.745 -11.174 56 1HD1 LEU 7 1HD1 LEU 7 22.376 -6.061 -8.389 57 2HD1 LEU 7 2HD1 LEU 7 20.848 -5.513 -9.079 58 3HD1 LEU 7 3HD1 LEU 7 21.626 -6.968 -9.703 59 1HD2 LEU 7 1HD2 LEU 7 22.297 -3.068 -10.828 60 2HD2 LEU 7 2HD2 LEU 7 21.253 -4.173 -11.722 61 3HD2 LEU 7 3HD2 LEU 7 20.902 -3.801 -10.035 62 H SER 8 H SER 8 25.896 -3.354 -7.744 63 HA SER 8 HA SER 8 26.092 -5.466 -5.833 64 1HB SER 8 1HB SER 8 27.802 -3.028 -5.569 65 2HB SER 8 2HB SER 8 28.250 -4.727 -5.459 66 HG SER 8 HG SER 8 28.902 -4.346 -7.441 67 H ASP 9 H ASP 9 24.558 -2.391 -5.512 68 HA ASP 9 HA ASP 9 24.947 -2.354 -2.587 69 1HB ASP 9 1HB ASP 9 23.257 -0.358 -2.847 70 2HB ASP 9 2HB ASP 9 24.929 -0.162 -3.339 71 H ILE 10 H ILE 10 22.048 -2.074 -4.607 72 HA ILE 10 HA ILE 10 20.057 -2.598 -2.820 73 HB ILE 10 HB ILE 10 20.092 -2.425 -5.483 74 1HG1 ILE 10 1HG1 ILE 10 17.807 -4.006 -4.394 75 2HG1 ILE 10 2HG1 ILE 10 18.173 -2.462 -3.624 76 1HG2 ILE 10 1HG2 ILE 10 21.004 -4.762 -5.706 77 2HG2 ILE 10 2HG2 ILE 10 19.485 -5.358 -5.035 78 3HG2 ILE 10 3HG2 ILE 10 19.491 -4.493 -6.572 79 1HD1 ILE 10 1HD1 ILE 10 18.075 -2.564 -6.612 80 2HD1 ILE 10 2HD1 ILE 10 16.551 -2.583 -5.725 81 3HD1 ILE 10 3HD1 ILE 10 17.672 -1.236 -5.523 82 H THR 11 H THR 11 22.161 -5.046 -4.264 83 HA THR 11 HA THR 11 20.832 -7.248 -2.893 84 HB THR 11 HB THR 11 22.579 -8.635 -3.811 85 HG1 THR 11 HG1 THR 11 23.909 -6.162 -4.091 86 1HG2 THR 11 1HG2 THR 11 20.925 -7.095 -5.339 87 2HG2 THR 11 2HG2 THR 11 22.497 -6.668 -6.014 88 3HG2 THR 11 3HG2 THR 11 21.977 -8.353 -5.989 89 H ASP 12 H ASP 12 23.825 -5.384 -2.344 90 HA ASP 12 HA ASP 12 24.483 -6.927 0.044 91 1HB ASP 12 1HB ASP 12 26.189 -5.782 -1.425 92 2HB ASP 12 2HB ASP 12 25.600 -4.241 -0.799 93 H ALA 13 H ALA 13 22.023 -4.871 -0.468 94 HA ALA 13 HA ALA 13 22.311 -3.227 1.947 95 1HB ALA 13 1HB ALA 13 21.138 -2.423 -0.140 96 2HB ALA 13 2HB ALA 13 19.861 -3.591 0.200 97 3HB ALA 13 3HB ALA 13 20.176 -2.275 1.331 98 H PHE 14 H PHE 14 20.996 -6.310 1.079 99 HA PHE 14 HA PHE 14 19.179 -6.424 3.370 100 1HB PHE 14 1HB PHE 14 18.300 -8.229 2.317 101 2HB PHE 14 2HB PHE 14 19.305 -7.753 0.956 102 HD1 PHE 14 HD1 PHE 14 19.012 -10.036 3.849 103 HD2 PHE 14 HD2 PHE 14 21.301 -8.990 0.366 104 HE1 PHE 14 HE1 PHE 14 20.246 -12.181 4.015 105 HE2 PHE 14 HE2 PHE 14 22.536 -11.135 0.534 106 HZ PHE 14 HZ PHE 14 22.008 -12.730 2.358 107 H SER 15 H SER 15 22.404 -6.363 3.241 108 HA SER 15 HA SER 15 22.722 -8.281 5.507 109 1HB SER 15 1HB SER 15 24.137 -9.223 3.927 110 2HB SER 15 2HB SER 15 24.461 -7.677 3.148 111 HG SER 15 HG SER 15 26.003 -7.284 4.558 112 HA PRO 16 HA PRO 16 23.611 -4.092 7.176 113 1HB PRO 16 1HB PRO 16 21.982 -4.346 9.344 114 2HB PRO 16 2HB PRO 16 21.403 -3.799 7.762 115 1HG PRO 16 1HG PRO 16 20.906 -6.331 9.144 116 2HG PRO 16 2HG PRO 16 20.036 -5.601 7.786 117 1HD PRO 16 1HD PRO 16 21.999 -7.712 7.710 118 2HD PRO 16 2HD PRO 16 21.084 -7.017 6.365 119 H GLN 17 H GLN 17 22.918 -6.813 9.397 120 HA GLN 17 HA GLN 17 24.841 -6.124 11.356 121 1HB GLN 17 1HB GLN 17 23.168 -8.411 10.727 122 2HB GLN 17 2HB GLN 17 24.753 -8.938 11.293 123 1HG GLN 17 1HG GLN 17 23.803 -6.719 12.890 124 2HG GLN 17 2HG GLN 17 22.613 -8.022 12.877 125 1HE2 GLN 17 2HE2 GLN 17 24.034 -7.462 15.265 126 2HE2 GLN 17 1HE2 GLN 17 25.105 -8.740 15.585 127 H VAL 18 H VAL 18 25.175 -7.812 8.299 128 HA VAL 18 HA VAL 18 27.968 -8.546 8.884 129 HB VAL 18 HB VAL 18 26.041 -9.067 6.638 130 1HG1 VAL 18 1HG1 VAL 18 29.036 -9.114 6.532 131 2HG1 VAL 18 2HG1 VAL 18 28.150 -10.402 5.716 132 3HG1 VAL 18 3HG1 VAL 18 27.878 -8.720 5.261 133 1HG2 VAL 18 1HG2 VAL 18 26.191 -10.506 8.711 134 2HG2 VAL 18 2HG2 VAL 18 26.480 -11.374 7.203 135 3HG2 VAL 18 3HG2 VAL 18 27.838 -10.915 8.231 136 H LEU 19 H LEU 19 26.226 -6.269 6.736 137 HA LEU 19 HA LEU 19 28.517 -5.345 5.317 138 1HB LEU 19 1HB LEU 19 26.277 -4.638 4.648 139 2HB LEU 19 2HB LEU 19 26.040 -3.822 6.194 140 HG LEU 19 HG LEU 19 28.066 -2.399 5.626 141 1HD1 LEU 19 1HD1 LEU 19 28.873 -4.042 3.861 142 2HD1 LEU 19 2HD1 LEU 19 27.573 -3.450 2.828 143 3HD1 LEU 19 3HD1 LEU 19 28.850 -2.353 3.354 144 1HD2 LEU 19 1HD2 LEU 19 25.480 -2.362 4.087 145 2HD2 LEU 19 2HD2 LEU 19 26.023 -1.279 5.369 146 3HD2 LEU 19 3HD2 LEU 19 26.715 -1.149 3.752 147 H ALA 20 H ALA 20 26.994 -3.937 8.222 148 HA ALA 20 HA ALA 20 28.981 -2.014 8.785 149 1HB ALA 20 1HB ALA 20 26.780 -2.203 9.960 150 2HB ALA 20 2HB ALA 20 27.394 -3.622 10.808 151 3HB ALA 20 3HB ALA 20 28.139 -2.045 11.073 152 H ALA 21 H ALA 21 28.682 -5.300 10.165 153 HA ALA 21 HA ALA 21 30.960 -5.456 11.720 154 1HB ALA 21 1HB ALA 21 29.323 -7.330 10.201 155 2HB ALA 21 2HB ALA 21 31.008 -7.847 10.242 156 3HB ALA 21 3HB ALA 21 30.134 -7.569 11.749 157 H VAL 22 H VAL 22 30.851 -6.102 8.248 158 HA VAL 22 HA VAL 22 33.535 -6.611 7.729 159 HB VAL 22 HB VAL 22 31.382 -5.253 6.110 160 1HG1 VAL 22 1HG1 VAL 22 34.315 -5.508 5.473 161 2HG1 VAL 22 2HG1 VAL 22 33.125 -5.642 4.177 162 3HG1 VAL 22 3HG1 VAL 22 33.219 -4.167 5.140 163 1HG2 VAL 22 1HG2 VAL 22 32.926 -7.854 5.839 164 2HG2 VAL 22 2HG2 VAL 22 31.289 -7.691 6.473 165 3HG2 VAL 22 3HG2 VAL 22 31.619 -7.324 4.780 166 H ILE 23 H ILE 23 32.016 -3.363 7.587 167 HA ILE 23 HA ILE 23 34.477 -1.978 7.164 168 HB ILE 23 HB ILE 23 31.947 -0.945 8.480 169 1HG1 ILE 23 1HG1 ILE 23 31.458 -1.972 6.316 170 2HG1 ILE 23 2HG1 ILE 23 31.383 -0.218 6.156 171 1HG2 ILE 23 1HG2 ILE 23 34.450 0.306 7.432 172 2HG2 ILE 23 2HG2 ILE 23 32.929 1.151 7.146 173 3HG2 ILE 23 3HG2 ILE 23 33.439 0.788 8.795 174 1HD1 ILE 23 1HD1 ILE 23 33.910 -0.431 5.497 175 2HD1 ILE 23 2HD1 ILE 23 33.500 -2.116 5.174 176 3HD1 ILE 23 3HD1 ILE 23 32.676 -0.824 4.300 177 H PHE 24 H PHE 24 32.611 -2.317 10.203 178 HA PHE 24 HA PHE 24 34.060 -0.999 12.053 179 1HB PHE 24 1HB PHE 24 32.334 -3.191 12.147 180 2HB PHE 24 2HB PHE 24 33.796 -3.781 12.937 181 HD1 PHE 24 HD1 PHE 24 31.492 -0.829 12.879 182 HD2 PHE 24 HD2 PHE 24 34.210 -3.231 15.180 183 HE1 PHE 24 HE1 PHE 24 30.911 0.464 14.914 184 HE2 PHE 24 HE2 PHE 24 33.630 -1.938 17.215 185 HZ PHE 24 HZ PHE 24 31.979 -0.091 17.083 186 H ILE 25 H ILE 25 35.152 -3.918 10.392 187 HA ILE 25 HA ILE 25 37.639 -4.069 11.927 188 HB ILE 25 HB ILE 25 36.955 -5.342 9.255 189 1HG1 ILE 25 1HG1 ILE 25 36.842 -6.683 11.957 190 2HG1 ILE 25 2HG1 ILE 25 35.441 -5.824 11.314 191 1HG2 ILE 25 1HG2 ILE 25 39.410 -5.140 10.268 192 2HG2 ILE 25 2HG2 ILE 25 38.858 -6.491 11.258 193 3HG2 ILE 25 3HG2 ILE 25 38.863 -6.630 9.500 194 1HD1 ILE 25 1HD1 ILE 25 36.067 -7.272 9.141 195 2HD1 ILE 25 2HD1 ILE 25 36.708 -8.351 10.380 196 3HD1 ILE 25 3HD1 ILE 25 35.006 -7.890 10.407 197 H TYR 26 H TYR 26 36.876 -3.136 8.522 198 HA TYR 26 HA TYR 26 39.496 -2.188 7.908 199 1HB TYR 26 1HB TYR 26 37.024 -2.279 6.599 200 2HB TYR 26 2HB TYR 26 37.377 -0.556 6.727 201 HD1 TYR 26 HD1 TYR 26 38.616 -3.809 5.456 202 HD2 TYR 26 HD2 TYR 26 39.214 0.444 5.531 203 HE1 TYR 26 HE1 TYR 26 40.263 -4.008 3.612 204 HE2 TYR 26 HE2 TYR 26 40.860 0.245 3.687 205 HH TYR 26 HH TYR 26 42.062 -2.827 2.620 206 H PHE 27 H PHE 27 36.643 -0.225 8.693 207 HA PHE 27 HA PHE 27 37.697 2.246 9.240 208 1HB PHE 27 1HB PHE 27 35.361 0.830 9.922 209 2HB PHE 27 2HB PHE 27 36.001 1.427 11.451 210 HD1 PHE 27 HD1 PHE 27 35.779 2.745 7.930 211 HD2 PHE 27 HD2 PHE 27 35.096 3.459 12.110 212 HE1 PHE 27 HE1 PHE 27 34.936 5.019 7.404 213 HE2 PHE 27 HE2 PHE 27 34.253 5.731 11.585 214 HZ PHE 27 HZ PHE 27 34.171 6.510 9.232 215 H ALA 28 H ALA 28 38.093 -0.680 11.112 216 HA ALA 28 HA ALA 28 39.067 0.449 13.533 217 1HB ALA 28 1HB ALA 28 38.411 -2.027 12.844 218 2HB ALA 28 2HB ALA 28 40.139 -2.162 12.527 219 3HB ALA 28 3HB ALA 28 39.569 -1.734 14.140 220 H ALA 29 H ALA 29 41.037 -1.121 10.980 221 HA ALA 29 HA ALA 29 43.415 0.243 12.056 222 1HB ALA 29 1HB ALA 29 42.973 -1.932 10.032 223 2HB ALA 29 2HB ALA 29 44.543 -1.146 10.189 224 3HB ALA 29 3HB ALA 29 43.847 -2.005 11.563 225 H LEU 30 H LEU 30 42.336 -0.231 8.674 226 HA LEU 30 HA LEU 30 43.771 2.225 7.924 227 1HB LEU 30 1HB LEU 30 42.197 0.694 5.910 228 2HB LEU 30 2HB LEU 30 43.811 1.393 5.780 229 HG LEU 30 HG LEU 30 44.244 -0.495 7.693 230 1HD1 LEU 30 1HD1 LEU 30 41.748 -1.168 7.120 231 2HD1 LEU 30 2HD1 LEU 30 42.507 -1.970 5.744 232 3HD1 LEU 30 3HD1 LEU 30 42.968 -2.413 7.388 233 1HD2 LEU 30 1HD2 LEU 30 44.495 -0.426 4.714 234 2HD2 LEU 30 2HD2 LEU 30 45.758 -0.498 5.943 235 3HD2 LEU 30 3HD2 LEU 30 44.843 -1.949 5.533 236 H SER 31 H SER 31 41.409 2.574 9.516 237 HA SER 31 HA SER 31 39.053 3.135 8.166 238 1HB SER 31 1HB SER 31 39.482 5.336 9.919 239 2HB SER 31 2HB SER 31 38.483 3.911 10.179 240 HG SER 31 HG SER 31 40.543 4.495 11.539 241 HA PRO 32 HA PRO 32 40.589 7.353 6.533 242 1HB PRO 32 1HB PRO 32 42.573 8.647 7.879 243 2HB PRO 32 2HB PRO 32 40.893 8.617 8.441 244 1HG PRO 32 1HG PRO 32 43.216 7.385 9.653 245 2HG PRO 32 2HG PRO 32 41.563 7.487 10.280 246 1HD PRO 32 1HD PRO 32 42.879 5.262 8.840 247 2HD PRO 32 2HD PRO 32 41.466 5.231 9.901 248 H ALA 33 H ALA 33 42.821 4.875 6.864 249 HA ALA 33 HA ALA 33 45.199 5.993 5.746 250 1HB ALA 33 1HB ALA 33 44.607 3.591 6.781 251 2HB ALA 33 2HB ALA 33 44.466 3.183 5.071 252 3HB ALA 33 3HB ALA 33 45.981 3.829 5.702 253 H ILE 34 H ILE 34 42.725 4.006 4.087 254 HA ILE 34 HA ILE 34 43.748 4.469 1.472 255 HB ILE 34 HB ILE 34 42.219 2.647 1.877 256 1HG1 ILE 34 1HG1 ILE 34 40.750 4.706 0.205 257 2HG1 ILE 34 2HG1 ILE 34 42.176 3.835 -0.362 258 1HG2 ILE 34 1HG2 ILE 34 40.932 4.366 3.566 259 2HG2 ILE 34 2HG2 ILE 34 39.825 4.356 2.193 260 3HG2 ILE 34 3HG2 ILE 34 40.244 2.845 3.000 261 1HD1 ILE 34 1HD1 ILE 34 40.142 2.077 0.811 262 2HD1 ILE 34 2HD1 ILE 34 39.568 2.950 -0.610 263 3HD1 ILE 34 3HD1 ILE 34 41.003 1.930 -0.721 264 H THR 35 H THR 35 41.772 6.492 3.516 265 HA THR 35 HA THR 35 40.905 8.146 1.238 266 HB THR 35 HB THR 35 40.500 9.143 3.995 267 HG1 THR 35 HG1 THR 35 38.863 7.036 3.193 268 1HG2 THR 35 1HG2 THR 35 39.176 9.099 1.372 269 2HG2 THR 35 2HG2 THR 35 38.071 8.892 2.731 270 3HG2 THR 35 3HG2 THR 35 39.108 10.316 2.646 271 H PHE 36 H PHE 36 43.490 8.056 3.532 272 HA PHE 36 HA PHE 36 44.113 10.915 3.178 273 1HB PHE 36 1HB PHE 36 45.077 8.709 4.923 274 2HB PHE 36 2HB PHE 36 46.246 9.967 4.521 275 HD1 PHE 36 HD1 PHE 36 42.561 10.370 4.829 276 HD2 PHE 36 HD2 PHE 36 46.399 11.142 6.598 277 HE1 PHE 36 HE1 PHE 36 41.496 11.887 6.476 278 HE2 PHE 36 HE2 PHE 36 45.333 12.660 8.248 279 HZ PHE 36 HZ PHE 36 42.881 13.033 8.185 280 H GLY 37 H GLY 37 46.019 11.662 2.126 281 1HA GLY 37 1HA GLY 37 48.077 11.314 0.884 282 2HA GLY 37 2HA GLY 37 47.572 9.653 0.574 283 H GLY 38 H GLY 38 48.033 12.493 -0.958 284 1HA GLY 38 1HA GLY 38 45.702 12.159 -2.793 285 2HA GLY 38 2HA GLY 38 46.691 13.616 -2.677 286 H LEU 39 H LEU 39 48.397 10.636 -2.585 287 HA LEU 39 HA LEU 39 49.867 11.268 -4.990 288 1HB LEU 39 1HB LEU 39 49.759 8.609 -3.537 289 2HB LEU 39 2HB LEU 39 51.049 9.197 -4.586 290 HG LEU 39 HG LEU 39 50.681 11.201 -2.633 291 1HD1 LEU 39 1HD1 LEU 39 50.091 8.510 -1.611 292 2HD1 LEU 39 2HD1 LEU 39 51.400 9.313 -0.745 293 3HD1 LEU 39 3HD1 LEU 39 49.817 10.082 -0.860 294 1HD2 LEU 39 1HD2 LEU 39 52.729 9.171 -3.394 295 2HD2 LEU 39 2HD2 LEU 39 52.861 10.929 -3.328 296 3HD2 LEU 39 3HD2 LEU 39 52.941 9.982 -1.842 297 H LEU 40 H LEU 40 46.902 9.635 -4.415 298 HA LEU 40 HA LEU 40 46.882 7.715 -6.499 299 1HB LEU 40 1HB LEU 40 44.928 9.044 -4.803 300 2HB LEU 40 2HB LEU 40 44.296 8.783 -6.429 301 HG LEU 40 HG LEU 40 45.750 6.570 -5.002 302 1HD1 LEU 40 1HD1 LEU 40 43.823 7.590 -3.603 303 2HD1 LEU 40 2HD1 LEU 40 42.759 6.929 -4.844 304 3HD1 LEU 40 3HD1 LEU 40 43.788 5.852 -3.899 305 1HD2 LEU 40 1HD2 LEU 40 43.763 6.852 -7.253 306 2HD2 LEU 40 2HD2 LEU 40 45.333 6.048 -7.263 307 3HD2 LEU 40 3HD2 LEU 40 43.969 5.308 -6.426 308 H GLY 41 H GLY 41 46.115 11.188 -6.573 309 1HA GLY 41 1HA GLY 41 46.920 12.307 -8.715 310 2HA GLY 41 2HA GLY 41 46.081 11.005 -9.559 311 H GLU 42 H GLU 42 44.774 12.475 -6.655 312 HA GLU 42 HA GLU 42 42.263 13.041 -7.928 313 1HB GLU 42 1HB GLU 42 43.189 12.935 -5.310 314 2HB GLU 42 2HB GLU 42 42.809 14.643 -5.541 315 1HG GLU 42 1HG GLU 42 40.620 13.630 -6.677 316 2HG GLU 42 2HG GLU 42 40.994 12.269 -5.619 317 H LYS 43 H LYS 43 45.239 14.782 -7.732 318 HA LYS 43 HA LYS 43 44.071 17.419 -8.196 319 1HB LYS 43 1HB LYS 43 46.442 16.717 -7.204 320 2HB LYS 43 2HB LYS 43 46.914 16.796 -8.902 321 1HG LYS 43 1HG LYS 43 47.162 19.020 -8.575 322 2HG LYS 43 2HG LYS 43 45.400 19.093 -8.568 323 1HD LYS 43 1HD LYS 43 46.137 20.169 -6.551 324 2HD LYS 43 2HD LYS 43 45.500 18.594 -6.079 325 1HE LYS 43 1HE LYS 43 47.892 17.720 -6.251 326 2HE LYS 43 2HE LYS 43 48.400 19.405 -6.372 327 1HZ LYS 43 1HZ LYS 43 46.569 19.041 -4.232 328 2HZ LYS 43 2HZ LYS 43 47.897 17.994 -4.065 329 3HZ LYS 43 3HZ LYS 43 48.149 19.666 -4.200 Start of MODEL 6 1 1H ACE 1 HA1 ACE 1 26.118 -10.863 -7.188 2 2H ACE 1 HA2 ACE 1 25.739 -10.252 -5.578 3 3H ACE 1 HA3 ACE 1 27.415 -10.559 -6.033 4 H ARG 2 H ARG 2 24.615 -8.636 -7.175 5 HA ARG 2 HA ARG 2 26.466 -6.323 -7.474 6 1HB ARG 2 1HB ARG 2 26.223 -7.366 -9.704 7 2HB ARG 2 2HB ARG 2 24.469 -7.231 -9.571 8 1HG ARG 2 1HG ARG 2 24.485 -4.932 -9.837 9 2HG ARG 2 2HG ARG 2 26.111 -4.761 -9.174 10 1HD ARG 2 1HD ARG 2 26.030 -6.368 -11.627 11 2HD ARG 2 2HD ARG 2 25.476 -4.711 -11.864 12 HE ARG 2 HE ARG 2 27.986 -4.941 -10.363 13 1HH1 ARG 2 1HH1 ARG 2 27.438 -5.912 -13.444 14 2HH1 ARG 2 2HH1 ARG 2 28.356 -4.670 -14.227 15 1HH2 ARG 2 1HH2 ARG 2 28.726 -2.760 -11.356 16 2HH2 ARG 2 2HH2 ARG 2 29.075 -2.881 -13.048 17 H TYR 3 H TYR 3 25.564 -4.461 -6.689 18 HA TYR 3 HA TYR 3 22.682 -4.567 -5.955 19 1HB TYR 3 1HB TYR 3 25.097 -3.367 -4.692 20 2HB TYR 3 2HB TYR 3 23.583 -2.477 -4.527 21 HD1 TYR 3 HD1 TYR 3 23.595 -6.127 -4.929 22 HD2 TYR 3 HD2 TYR 3 23.452 -2.894 -2.105 23 HE1 TYR 3 HE1 TYR 3 22.860 -7.704 -3.162 24 HE2 TYR 3 HE2 TYR 3 22.716 -4.470 -0.338 25 HH TYR 3 HH TYR 3 21.493 -6.753 -0.306 26 HA PRO 4 HA PRO 4 22.463 -1.408 -9.200 27 1HB PRO 4 1HB PRO 4 19.912 -2.046 -9.919 28 2HB PRO 4 2HB PRO 4 21.334 -2.924 -10.506 29 1HG PRO 4 1HG PRO 4 19.272 -3.786 -8.611 30 2HG PRO 4 2HG PRO 4 20.437 -4.755 -9.527 31 1HD PRO 4 1HD PRO 4 20.579 -3.969 -6.762 32 2HD PRO 4 2HD PRO 4 21.725 -4.962 -7.678 33 H TYR 5 H TYR 5 20.097 -2.109 -6.643 34 HA TYR 5 HA TYR 5 18.907 0.568 -6.877 35 1HB TYR 5 1HB TYR 5 18.402 -1.856 -5.173 36 2HB TYR 5 2HB TYR 5 17.731 -0.296 -4.696 37 HD1 TYR 5 HD1 TYR 5 17.917 -2.714 -7.534 38 HD2 TYR 5 HD2 TYR 5 15.803 0.574 -5.754 39 HE1 TYR 5 HE1 TYR 5 16.092 -2.990 -9.191 40 HE2 TYR 5 HE2 TYR 5 13.978 0.298 -7.410 41 HH TYR 5 HH TYR 5 13.067 -1.366 -8.878 42 H TYR 6 H TYR 6 21.458 -0.955 -5.126 43 HA TYR 6 HA TYR 6 21.460 0.907 -2.878 44 1HB TYR 6 1HB TYR 6 22.453 -1.470 -2.946 45 2HB TYR 6 2HB TYR 6 23.802 -0.748 -3.824 46 HD1 TYR 6 HD1 TYR 6 21.851 -0.542 -0.649 47 HD2 TYR 6 HD2 TYR 6 25.489 0.473 -2.695 48 HE1 TYR 6 HE1 TYR 6 22.838 0.234 1.490 49 HE2 TYR 6 HE2 TYR 6 26.475 1.249 -0.556 50 HH TYR 6 HH TYR 6 26.108 0.769 1.916 51 H LEU 7 H LEU 7 23.384 0.513 -5.843 52 HA LEU 7 HA LEU 7 24.846 3.003 -5.313 53 1HB LEU 7 1HB LEU 7 25.028 0.752 -7.226 54 2HB LEU 7 2HB LEU 7 25.532 2.321 -7.854 55 HG LEU 7 HG LEU 7 26.527 1.178 -5.231 56 1HD1 LEU 7 1HD1 LEU 7 27.103 0.059 -7.618 57 2HD1 LEU 7 2HD1 LEU 7 28.297 1.357 -7.615 58 3HD1 LEU 7 3HD1 LEU 7 28.283 0.168 -6.311 59 1HD2 LEU 7 1HD2 LEU 7 27.109 3.609 -6.901 60 2HD2 LEU 7 2HD2 LEU 7 26.895 3.487 -5.155 61 3HD2 LEU 7 3HD2 LEU 7 28.389 2.920 -5.903 62 H SER 8 H SER 8 22.365 1.849 -7.586 63 HA SER 8 HA SER 8 22.283 4.416 -8.980 64 1HB SER 8 1HB SER 8 20.254 2.185 -9.150 65 2HB SER 8 2HB SER 8 20.573 3.441 -10.341 66 HG SER 8 HG SER 8 22.326 1.364 -9.510 67 H ASP 9 H ASP 9 21.451 4.016 -5.957 68 HA ASP 9 HA ASP 9 18.679 4.997 -6.122 69 1HB ASP 9 1HB ASP 9 18.983 5.110 -3.552 70 2HB ASP 9 2HB ASP 9 18.948 3.518 -4.307 71 H ILE 10 H ILE 10 20.448 6.412 -3.549 72 HA ILE 10 HA ILE 10 20.133 9.052 -4.819 73 HB ILE 10 HB ILE 10 21.035 8.313 -2.018 74 1HG1 ILE 10 1HG1 ILE 10 18.354 9.463 -2.772 75 2HG1 ILE 10 2HG1 ILE 10 18.625 7.722 -2.859 76 1HG2 ILE 10 1HG2 ILE 10 21.571 10.641 -3.163 77 2HG2 ILE 10 2HG2 ILE 10 19.871 10.959 -2.815 78 3HG2 ILE 10 3HG2 ILE 10 20.984 10.578 -1.501 79 1HD1 ILE 10 1HD1 ILE 10 19.471 9.154 -0.372 80 2HD1 ILE 10 2HD1 ILE 10 17.749 8.862 -0.619 81 3HD1 ILE 10 3HD1 ILE 10 18.875 7.506 -0.569 82 H THR 11 H THR 11 22.640 6.815 -3.839 83 HA THR 11 HA THR 11 24.769 8.791 -4.338 84 HB THR 11 HB THR 11 26.292 6.994 -3.642 85 HG1 THR 11 HG1 THR 11 25.391 5.177 -4.414 86 1HG2 THR 11 1HG2 THR 11 24.882 8.363 -1.971 87 2HG2 THR 11 2HG2 THR 11 23.919 6.898 -1.781 88 3HG2 THR 11 3HG2 THR 11 25.635 6.884 -1.372 89 H ASP 12 H ASP 12 22.975 7.928 -6.526 90 HA ASP 12 HA ASP 12 24.455 6.085 -8.210 91 1HB ASP 12 1HB ASP 12 21.965 6.546 -8.349 92 2HB ASP 12 2HB ASP 12 22.370 8.097 -9.086 93 H ALA 13 H ALA 13 23.660 9.507 -8.892 94 HA ALA 13 HA ALA 13 26.291 9.714 -10.261 95 1HB ALA 13 1HB ALA 13 24.095 10.241 -11.482 96 2HB ALA 13 2HB ALA 13 24.014 11.685 -10.472 97 3HB ALA 13 3HB ALA 13 25.366 11.460 -11.581 98 H PHE 14 H PHE 14 25.301 10.184 -7.275 99 HA PHE 14 HA PHE 14 25.980 12.960 -6.789 100 1HB PHE 14 1HB PHE 14 24.583 11.303 -5.324 101 2HB PHE 14 2HB PHE 14 26.153 10.804 -4.698 102 HD1 PHE 14 HD1 PHE 14 25.096 14.220 -5.801 103 HD2 PHE 14 HD2 PHE 14 26.152 11.677 -2.501 104 HE1 PHE 14 HE1 PHE 14 25.126 16.186 -4.295 105 HE2 PHE 14 HE2 PHE 14 26.177 13.646 -0.995 106 HZ PHE 14 HZ PHE 14 25.663 15.900 -1.892 107 H SER 15 H SER 15 27.659 10.004 -5.719 108 HA SER 15 HA SER 15 30.234 11.243 -6.492 109 1HB SER 15 1HB SER 15 29.483 11.551 -3.942 110 2HB SER 15 2HB SER 15 30.117 9.912 -3.818 111 HG SER 15 HG SER 15 31.736 11.488 -3.461 112 HA PRO 16 HA PRO 16 30.110 6.738 -7.495 113 1HB PRO 16 1HB PRO 16 30.174 7.047 -10.203 114 2HB PRO 16 2HB PRO 16 28.672 7.051 -9.265 115 1HG PRO 16 1HG PRO 16 29.961 9.256 -10.665 116 2HG PRO 16 2HG PRO 16 28.334 9.169 -9.974 117 1HD PRO 16 1HD PRO 16 30.734 10.392 -8.846 118 2HD PRO 16 2HD PRO 16 29.055 10.521 -8.297 119 H GLN 17 H GLN 17 31.815 8.877 -9.808 120 HA GLN 17 HA GLN 17 34.080 7.189 -10.092 121 1HB GLN 17 1HB GLN 17 33.269 9.774 -11.009 122 2HB GLN 17 2HB GLN 17 34.920 9.900 -10.398 123 1HG GLN 17 1HG GLN 17 35.698 8.179 -11.859 124 2HG GLN 17 2HG GLN 17 34.054 7.692 -12.275 125 1HE2 GLN 17 2HE2 GLN 17 33.324 8.519 -14.237 126 2HE2 GLN 17 1HE2 GLN 17 33.898 9.937 -14.973 127 H VAL 18 H VAL 18 33.498 9.901 -7.885 128 HA VAL 18 HA VAL 18 36.121 9.751 -6.641 129 HB VAL 18 HB VAL 18 33.513 10.967 -5.739 130 1HG1 VAL 18 1HG1 VAL 18 36.133 10.658 -4.407 131 2HG1 VAL 18 2HG1 VAL 18 35.472 12.293 -4.373 132 3HG1 VAL 18 3HG1 VAL 18 34.542 10.952 -3.703 133 1HG2 VAL 18 1HG2 VAL 18 35.916 11.946 -7.250 134 2HG2 VAL 18 2HG2 VAL 18 34.208 12.248 -7.567 135 3HG2 VAL 18 3HG2 VAL 18 35.018 13.079 -6.239 136 H LEU 19 H LEU 19 33.171 7.998 -6.328 137 HA LEU 19 HA LEU 19 33.448 7.151 -3.593 138 1HB LEU 19 1HB LEU 19 31.621 6.694 -5.666 139 2HB LEU 19 2HB LEU 19 32.313 5.106 -5.339 140 HG LEU 19 HG LEU 19 31.041 6.967 -3.313 141 1HD1 LEU 19 1HD1 LEU 19 29.563 5.600 -4.884 142 2HD1 LEU 19 2HD1 LEU 19 30.239 4.163 -4.116 143 3HD1 LEU 19 3HD1 LEU 19 29.313 5.321 -3.160 144 1HD2 LEU 19 1HD2 LEU 19 33.105 5.104 -2.923 145 2HD2 LEU 19 2HD2 LEU 19 32.071 5.801 -1.676 146 3HD2 LEU 19 3HD2 LEU 19 31.637 4.264 -2.424 147 H ALA 20 H ALA 20 34.496 5.679 -6.669 148 HA ALA 20 HA ALA 20 35.832 3.443 -5.416 149 1HB ALA 20 1HB ALA 20 35.187 4.188 -8.021 150 2HB ALA 20 2HB ALA 20 36.947 4.290 -7.985 151 3HB ALA 20 3HB ALA 20 36.143 2.779 -7.561 152 H ALA 21 H ALA 21 37.051 6.427 -6.919 153 HA ALA 21 HA ALA 21 39.781 6.190 -6.392 154 1HB ALA 21 1HB ALA 21 38.302 8.135 -7.462 155 2HB ALA 21 2HB ALA 21 38.450 8.822 -5.845 156 3HB ALA 21 3HB ALA 21 39.897 8.483 -6.794 157 H VAL 22 H VAL 22 37.404 7.755 -4.292 158 HA VAL 22 HA VAL 22 39.030 8.292 -2.080 159 HB VAL 22 HB VAL 22 36.093 7.654 -2.362 160 1HG1 VAL 22 1HG1 VAL 22 37.718 7.714 0.133 161 2HG1 VAL 22 2HG1 VAL 22 36.203 8.618 0.161 162 3HG1 VAL 22 3HG1 VAL 22 36.194 6.891 -0.198 163 1HG2 VAL 22 1HG2 VAL 22 37.211 9.880 -3.007 164 2HG2 VAL 22 2HG2 VAL 22 35.826 9.980 -1.920 165 3HG2 VAL 22 3HG2 VAL 22 37.462 10.126 -1.279 166 H ILE 23 H ILE 23 37.161 5.317 -2.736 167 HA ILE 23 HA ILE 23 38.014 3.936 -0.372 168 HB ILE 23 HB ILE 23 37.035 2.971 -3.069 169 1HG1 ILE 23 1HG1 ILE 23 35.430 4.206 -1.623 170 2HG1 ILE 23 2HG1 ILE 23 34.969 2.515 -1.819 171 1HG2 ILE 23 1HG2 ILE 23 38.240 1.487 -0.844 172 2HG2 ILE 23 2HG2 ILE 23 36.630 0.907 -1.269 173 3HG2 ILE 23 3HG2 ILE 23 37.900 0.960 -2.492 174 1HD1 ILE 23 1HD1 ILE 23 36.352 2.133 0.359 175 2HD1 ILE 23 2HD1 ILE 23 36.170 3.873 0.583 176 3HD1 ILE 23 3HD1 ILE 23 34.743 2.841 0.494 177 H PHE 24 H PHE 24 39.584 4.450 -3.461 178 HA PHE 24 HA PHE 24 41.462 2.280 -3.253 179 1HB PHE 24 1HB PHE 24 40.938 4.055 -5.202 180 2HB PHE 24 2HB PHE 24 42.306 4.886 -4.467 181 HD1 PHE 24 HD1 PHE 24 44.316 3.199 -3.792 182 HD2 PHE 24 HD2 PHE 24 41.440 2.551 -6.918 183 HE1 PHE 24 HE1 PHE 24 45.884 1.638 -4.912 184 HE2 PHE 24 HE2 PHE 24 43.010 0.990 -8.037 185 HZ PHE 24 HZ PHE 24 45.231 0.533 -7.034 186 H ILE 25 H ILE 25 41.376 5.571 -1.996 187 HA ILE 25 HA ILE 25 44.059 5.444 -0.874 188 HB ILE 25 HB ILE 25 41.719 7.304 -0.361 189 1HG1 ILE 25 1HG1 ILE 25 44.312 8.122 -1.599 190 2HG1 ILE 25 2HG1 ILE 25 43.216 7.151 -2.581 191 1HG2 ILE 25 1HG2 ILE 25 44.481 7.155 0.825 192 2HG2 ILE 25 2HG2 ILE 25 43.694 8.720 0.621 193 3HG2 ILE 25 3HG2 ILE 25 42.946 7.481 1.630 194 1HD1 ILE 25 1HD1 ILE 25 41.868 9.320 -1.128 195 2HD1 ILE 25 2HD1 ILE 25 43.067 9.890 -2.290 196 3HD1 ILE 25 3HD1 ILE 25 41.742 8.855 -2.825 197 H TYR 26 H TYR 26 40.742 4.961 0.401 198 HA TYR 26 HA TYR 26 41.535 4.523 3.123 199 1HB TYR 26 1HB TYR 26 39.187 3.651 1.435 200 2HB TYR 26 2HB TYR 26 39.374 3.036 3.078 201 HD1 TYR 26 HD1 TYR 26 39.960 6.354 1.425 202 HD2 TYR 26 HD2 TYR 26 38.038 4.197 4.604 203 HE1 TYR 26 HE1 TYR 26 39.056 8.483 2.321 204 HE2 TYR 26 HE2 TYR 26 37.135 6.327 5.502 205 HH TYR 26 HH TYR 26 37.722 9.419 3.827 206 H PHE 27 H PHE 27 40.634 2.122 0.679 207 HA PHE 27 HA PHE 27 41.503 -0.276 1.666 208 1HB PHE 27 1HB PHE 27 41.351 0.962 -0.985 209 2HB PHE 27 2HB PHE 27 42.588 -0.289 -0.891 210 HD1 PHE 27 HD1 PHE 27 39.192 0.166 0.643 211 HD2 PHE 27 HD2 PHE 27 41.799 -2.342 -1.670 212 HE1 PHE 27 HE1 PHE 27 37.424 -1.570 0.536 213 HE2 PHE 27 HE2 PHE 27 40.032 -4.079 -1.778 214 HZ PHE 27 HZ PHE 27 37.844 -3.693 -0.675 215 H ALA 28 H ALA 28 43.461 2.403 0.608 216 HA ALA 28 HA ALA 28 45.992 1.019 0.621 217 1HB ALA 28 1HB ALA 28 45.163 3.311 -0.464 218 2HB ALA 28 2HB ALA 28 45.838 3.966 1.028 219 3HB ALA 28 3HB ALA 28 46.859 3.034 -0.067 220 H ALA 29 H ALA 29 44.656 3.476 2.902 221 HA ALA 29 HA ALA 29 46.873 2.889 4.719 222 1HB ALA 29 1HB ALA 29 44.639 4.914 4.812 223 2HB ALA 29 2HB ALA 29 45.893 4.775 6.045 224 3HB ALA 29 3HB ALA 29 46.327 5.200 4.389 225 H LEU 30 H LEU 30 43.710 3.712 5.928 226 HA LEU 30 HA LEU 30 43.884 1.329 7.697 227 1HB LEU 30 1HB LEU 30 42.526 2.581 9.282 228 2HB LEU 30 2HB LEU 30 43.913 3.549 8.784 229 HG LEU 30 HG LEU 30 41.803 4.036 6.925 230 1HD1 LEU 30 1HD1 LEU 30 40.390 3.175 8.865 231 2HD1 LEU 30 2HD1 LEU 30 40.966 4.566 9.785 232 3HD1 LEU 30 3HD1 LEU 30 40.016 4.811 8.320 233 1HD2 LEU 30 1HD2 LEU 30 43.471 5.510 8.898 234 2HD2 LEU 30 2HD2 LEU 30 43.201 5.839 7.187 235 3HD2 LEU 30 3HD2 LEU 30 41.990 6.313 8.377 236 H SER 31 H SER 31 42.643 1.075 5.055 237 HA SER 31 HA SER 31 39.772 1.118 5.422 238 1HB SER 31 1HB SER 31 41.570 0.564 3.306 239 2HB SER 31 2HB SER 31 40.521 -0.839 3.482 240 HG SER 31 HG SER 31 38.760 0.445 3.179 241 HA PRO 32 HA PRO 32 40.471 -3.552 6.427 242 1HB PRO 32 1HB PRO 32 43.044 -4.461 6.413 243 2HB PRO 32 2HB PRO 32 42.027 -4.398 4.964 244 1HG PRO 32 1HG PRO 32 44.347 -2.761 5.671 245 2HG PRO 32 2HG PRO 32 43.571 -2.991 4.097 246 1HD PRO 32 1HD PRO 32 43.286 -0.767 5.914 247 2HD PRO 32 2HD PRO 32 42.559 -0.965 4.311 248 H ALA 33 H ALA 33 41.389 -1.018 8.068 249 HA ALA 33 HA ALA 33 42.829 -2.343 10.274 250 1HB ALA 33 1HB ALA 33 41.994 0.491 9.689 251 2HB ALA 33 2HB ALA 33 42.492 0.024 11.315 252 3HB ALA 33 3HB ALA 33 43.614 -0.148 9.966 253 H ILE 34 H ILE 34 39.800 -0.442 9.966 254 HA ILE 34 HA ILE 34 38.801 -1.507 12.491 255 HB ILE 34 HB ILE 34 37.725 0.324 10.360 256 1HG1 ILE 34 1HG1 ILE 34 38.285 0.478 13.330 257 2HG1 ILE 34 2HG1 ILE 34 39.059 1.388 12.033 258 1HG2 ILE 34 1HG2 ILE 34 36.108 -0.856 12.643 259 2HG2 ILE 34 2HG2 ILE 34 35.583 0.455 11.587 260 3HG2 ILE 34 3HG2 ILE 34 35.836 -1.160 10.927 261 1HD1 ILE 34 1HD1 ILE 34 36.560 2.185 11.576 262 2HD1 ILE 34 2HD1 ILE 34 36.368 1.782 13.282 263 3HD1 ILE 34 3HD1 ILE 34 37.560 2.984 12.789 264 H THR 35 H THR 35 37.842 -1.889 9.054 265 HA THR 35 HA THR 35 35.902 -3.946 9.621 266 HB THR 35 HB THR 35 36.047 -4.395 7.155 267 HG1 THR 35 HG1 THR 35 37.427 -3.049 5.969 268 1HG2 THR 35 1HG2 THR 35 35.766 -1.556 8.152 269 2HG2 THR 35 2HG2 THR 35 35.386 -2.022 6.493 270 3HG2 THR 35 3HG2 THR 35 34.485 -2.727 7.834 271 H PHE 36 H PHE 36 39.248 -4.000 9.815 272 HA PHE 36 HA PHE 36 40.186 -6.334 8.689 273 1HB PHE 36 1HB PHE 36 41.336 -4.715 10.363 274 2HB PHE 36 2HB PHE 36 40.703 -5.790 11.608 275 HD1 PHE 36 HD1 PHE 36 42.449 -6.045 8.287 276 HD2 PHE 36 HD2 PHE 36 42.074 -7.534 12.300 277 HE1 PHE 36 HE1 PHE 36 44.312 -7.628 7.874 278 HE2 PHE 36 HE2 PHE 36 43.937 -9.116 11.885 279 HZ PHE 36 HZ PHE 36 45.056 -9.164 9.673 280 H GLY 37 H GLY 37 39.716 -8.486 8.857 281 1HA GLY 37 1HA GLY 37 37.407 -9.338 10.372 282 2HA GLY 37 2HA GLY 37 38.494 -10.399 9.475 283 H GLY 38 H GLY 38 38.006 -8.766 12.567 284 1HA GLY 38 1HA GLY 38 39.794 -10.805 13.809 285 2HA GLY 38 2HA GLY 38 39.997 -9.104 14.226 286 H LEU 39 H LEU 39 36.752 -9.816 13.594 287 HA LEU 39 HA LEU 39 35.901 -9.228 16.242 288 1HB LEU 39 1HB LEU 39 33.713 -10.366 15.420 289 2HB LEU 39 2HB LEU 39 34.266 -8.920 14.575 290 HG LEU 39 HG LEU 39 35.531 -11.237 13.424 291 1HD1 LEU 39 1HD1 LEU 39 32.849 -11.695 14.348 292 2HD1 LEU 39 2HD1 LEU 39 32.840 -11.637 12.586 293 3HD1 LEU 39 3HD1 LEU 39 33.890 -12.778 13.425 294 1HD2 LEU 39 1HD2 LEU 39 34.636 -8.783 12.614 295 2HD2 LEU 39 2HD2 LEU 39 35.070 -10.086 11.508 296 3HD2 LEU 39 3HD2 LEU 39 33.383 -9.832 11.952 297 H LEU 40 H LEU 40 34.187 -11.093 17.172 298 HA LEU 40 HA LEU 40 35.997 -13.388 17.768 299 1HB LEU 40 1HB LEU 40 33.743 -13.388 19.515 300 2HB LEU 40 2HB LEU 40 35.425 -13.058 19.921 301 HG LEU 40 HG LEU 40 34.921 -10.666 18.987 302 1HD1 LEU 40 1HD1 LEU 40 32.327 -11.968 18.854 303 2HD1 LEU 40 2HD1 LEU 40 32.269 -10.551 19.902 304 3HD1 LEU 40 3HD1 LEU 40 32.813 -10.391 18.232 305 1HD2 LEU 40 1HD2 LEU 40 34.042 -11.853 21.611 306 2HD2 LEU 40 2HD2 LEU 40 35.418 -10.802 21.274 307 3HD2 LEU 40 3HD2 LEU 40 33.785 -10.138 21.289 308 H GLY 41 H GLY 41 34.463 -13.341 15.341 309 1HA GLY 41 1HA GLY 41 32.574 -15.592 15.914 310 2HA GLY 41 2HA GLY 41 32.202 -14.358 14.710 311 H GLU 42 H GLU 42 35.496 -14.915 14.669 312 HA GLU 42 HA GLU 42 35.308 -16.317 12.113 313 1HB GLU 42 1HB GLU 42 37.210 -14.663 13.416 314 2HB GLU 42 2HB GLU 42 37.995 -16.218 13.141 315 1HG GLU 42 1HG GLU 42 36.411 -15.354 10.841 316 2HG GLU 42 2HG GLU 42 37.682 -14.202 11.254 317 H LYS 43 H LYS 43 36.446 -17.077 15.397 318 HA LYS 43 HA LYS 43 36.266 -19.964 14.669 319 1HB LYS 43 1HB LYS 43 38.321 -20.348 16.090 320 2HB LYS 43 2HB LYS 43 38.633 -19.481 14.585 321 1HG LYS 43 1HG LYS 43 39.613 -17.886 15.847 322 2HG LYS 43 2HG LYS 43 37.992 -17.465 16.402 323 1HD LYS 43 1HD LYS 43 38.714 -18.005 18.474 324 2HD LYS 43 2HD LYS 43 38.637 -19.686 17.940 325 1HE LYS 43 1HE LYS 43 40.851 -19.388 18.774 326 2HE LYS 43 2HE LYS 43 41.001 -19.345 17.018 327 1HZ LYS 43 1HZ LYS 43 40.447 -16.777 18.170 328 2HZ LYS 43 2HZ LYS 43 41.905 -17.443 18.726 329 3HZ LYS 43 3HZ LYS 43 41.650 -17.231 17.060 Start of MODEL 7 1 1H ACE 1 HA1 ACE 1 19.468 -0.875 -18.060 2 2H ACE 1 HA2 ACE 1 18.938 -2.344 -17.241 3 3H ACE 1 HA3 ACE 1 19.924 -2.454 -18.698 4 H ARG 2 H ARG 2 21.746 -0.313 -17.936 5 HA ARG 2 HA ARG 2 23.133 -1.633 -15.635 6 1HB ARG 2 1HB ARG 2 24.445 -0.316 -18.031 7 2HB ARG 2 2HB ARG 2 25.257 -1.181 -16.727 8 1HG ARG 2 1HG ARG 2 24.403 -3.270 -17.416 9 2HG ARG 2 2HG ARG 2 23.143 -2.528 -18.402 10 1HD ARG 2 1HD ARG 2 24.510 -2.634 -20.185 11 2HD ARG 2 2HD ARG 2 25.629 -1.546 -19.364 12 HE ARG 2 HE ARG 2 25.967 -4.415 -19.668 13 1HH1 ARG 2 1HH2 ARG 2 28.171 -2.359 -19.528 14 2HH1 ARG 2 2HH2 ARG 2 28.883 -2.711 -17.989 15 1HH2 ARG 2 1HH1 ARG 2 26.189 -4.588 -16.875 16 2HH2 ARG 2 2HH1 ARG 2 27.760 -3.971 -16.486 17 H TYR 3 H TYR 3 22.063 -0.005 -14.285 18 HA TYR 3 HA TYR 3 23.670 2.443 -14.107 19 1HB TYR 3 1HB TYR 3 21.216 3.603 -13.827 20 2HB TYR 3 2HB TYR 3 22.152 3.643 -15.319 21 HD1 TYR 3 HD1 TYR 3 19.536 1.701 -13.493 22 HD2 TYR 3 HD2 TYR 3 21.360 2.583 -17.281 23 HE1 TYR 3 HE1 TYR 3 17.750 0.428 -14.650 24 HE2 TYR 3 HE2 TYR 3 19.574 1.309 -18.438 25 HH TYR 3 HH TYR 3 17.598 -0.834 -16.967 26 HA PRO 4 HA PRO 4 22.355 0.742 -10.022 27 1HB PRO 4 1HB PRO 4 24.874 0.192 -9.139 28 2HB PRO 4 2HB PRO 4 23.913 -0.949 -10.094 29 1HG PRO 4 1HG PRO 4 26.281 0.591 -10.876 30 2HG PRO 4 2HG PRO 4 25.573 -0.845 -11.630 31 1HD PRO 4 1HD PRO 4 25.315 1.897 -12.464 32 2HD PRO 4 2HD PRO 4 24.625 0.452 -13.223 33 H TYR 5 H TYR 5 25.426 2.551 -10.466 34 HA TYR 5 HA TYR 5 25.403 3.931 -8.017 35 1HB TYR 5 1HB TYR 5 26.672 4.297 -10.648 36 2HB TYR 5 2HB TYR 5 26.450 5.799 -9.749 37 HD1 TYR 5 HD1 TYR 5 27.188 2.276 -8.684 38 HD2 TYR 5 HD2 TYR 5 28.440 6.385 -8.689 39 HE1 TYR 5 HE1 TYR 5 29.106 1.694 -7.223 40 HE2 TYR 5 HE2 TYR 5 30.358 5.802 -7.229 41 HH TYR 5 HH TYR 5 31.708 3.341 -6.867 42 H TYR 6 H TYR 6 23.396 4.361 -10.804 43 HA TYR 6 HA TYR 6 22.589 7.068 -10.469 44 1HB TYR 6 1HB TYR 6 21.984 5.175 -12.272 45 2HB TYR 6 2HB TYR 6 20.549 5.033 -11.257 46 HD1 TYR 6 HD1 TYR 6 22.657 7.572 -13.028 47 HD2 TYR 6 HD2 TYR 6 18.773 6.540 -11.513 48 HE1 TYR 6 HE1 TYR 6 21.704 9.601 -14.089 49 HE2 TYR 6 HE2 TYR 6 17.820 8.569 -12.573 50 HH TYR 6 HH TYR 6 18.310 10.115 -14.350 51 H LEU 7 H LEU 7 21.268 4.073 -9.041 52 HA LEU 7 HA LEU 7 19.234 5.446 -7.500 53 1HB LEU 7 1HB LEU 7 20.226 2.720 -7.844 54 2HB LEU 7 2HB LEU 7 19.810 3.072 -6.167 55 HG LEU 7 HG LEU 7 17.714 4.219 -7.564 56 1HD1 LEU 7 1HD1 LEU 7 18.809 2.863 -9.544 57 2HD1 LEU 7 2HD1 LEU 7 18.024 1.487 -8.767 58 3HD1 LEU 7 3HD1 LEU 7 17.058 2.851 -9.332 59 1HD2 LEU 7 1HD2 LEU 7 17.707 2.780 -5.486 60 2HD2 LEU 7 2HD2 LEU 7 16.398 2.430 -6.615 61 3HD2 LEU 7 3HD2 LEU 7 17.805 1.369 -6.539 62 H SER 8 H SER 8 22.561 4.505 -6.958 63 HA SER 8 HA SER 8 22.744 4.800 -4.153 64 1HB SER 8 1HB SER 8 24.493 4.164 -6.123 65 2HB SER 8 2HB SER 8 25.037 5.795 -5.739 66 HG SER 8 HG SER 8 26.037 4.202 -4.425 67 H ASP 9 H ASP 9 22.004 7.239 -6.417 68 HA ASP 9 HA ASP 9 23.376 9.489 -5.474 69 1HB ASP 9 1HB ASP 9 21.104 10.684 -6.085 70 2HB ASP 9 2HB ASP 9 22.087 9.941 -7.346 71 H ILE 10 H ILE 10 19.957 9.507 -4.652 72 HA ILE 10 HA ILE 10 20.487 10.774 -2.124 73 HB ILE 10 HB ILE 10 18.102 9.909 -3.664 74 1HG1 ILE 10 1HG1 ILE 10 19.212 12.215 -3.588 75 2HG1 ILE 10 2HG1 ILE 10 17.467 12.180 -3.338 76 1HG2 ILE 10 1HG2 ILE 10 18.115 10.156 -0.653 77 2HG2 ILE 10 2HG2 ILE 10 16.674 10.529 -1.599 78 3HG2 ILE 10 3HG2 ILE 10 17.366 8.908 -1.648 79 1HD1 ILE 10 1HD1 ILE 10 17.825 12.229 -0.887 80 2HD1 ILE 10 2HD1 ILE 10 19.567 12.302 -1.152 81 3HD1 ILE 10 3HD1 ILE 10 18.540 13.638 -1.672 82 H THR 11 H THR 11 20.166 7.406 -3.014 83 HA THR 11 HA THR 11 19.328 6.443 -0.436 84 HB THR 11 HB THR 11 20.276 4.255 -1.220 85 HG1 THR 11 HG1 THR 11 21.989 5.185 -2.428 86 1HG2 THR 11 1HG2 THR 11 18.316 5.921 -2.691 87 2HG2 THR 11 2HG2 THR 11 18.883 4.480 -3.534 88 3HG2 THR 11 3HG2 THR 11 18.115 4.332 -1.953 89 H ASP 12 H ASP 12 22.194 7.953 -1.351 90 HA ASP 12 HA ASP 12 23.891 6.456 0.539 91 1HB ASP 12 1HB ASP 12 25.712 7.748 -0.310 92 2HB ASP 12 2HB ASP 12 24.706 7.359 -1.706 93 H ALA 13 H ALA 13 21.620 8.846 0.851 94 HA ALA 13 HA ALA 13 23.116 10.430 2.841 95 1HB ALA 13 1HB ALA 13 20.753 10.829 1.194 96 2HB ALA 13 2HB ALA 13 20.438 11.241 2.880 97 3HB ALA 13 3HB ALA 13 21.757 12.026 2.012 98 H PHE 14 H PHE 14 20.925 7.765 2.719 99 HA PHE 14 HA PHE 14 19.983 8.126 5.472 100 1HB PHE 14 1HB PHE 14 19.561 6.073 3.320 101 2HB PHE 14 2HB PHE 14 19.131 5.691 4.987 102 HD1 PHE 14 HD1 PHE 14 18.199 8.256 6.038 103 HD2 PHE 14 HD2 PHE 14 17.543 6.471 2.188 104 HE1 PHE 14 HE1 PHE 14 16.100 9.556 5.794 105 HE2 PHE 14 HE2 PHE 14 15.445 7.769 1.941 106 HZ PHE 14 HZ PHE 14 14.723 9.313 3.743 107 H SER 15 H SER 15 22.643 6.588 3.863 108 HA SER 15 HA SER 15 23.566 5.595 6.494 109 1HB SER 15 1HB SER 15 22.409 3.831 4.811 110 2HB SER 15 2HB SER 15 24.058 3.783 4.194 111 HG SER 15 HG SER 15 24.406 2.517 5.833 112 HA PRO 16 HA PRO 16 26.971 7.535 3.953 113 1HB PRO 16 1HB PRO 16 26.988 10.004 5.108 114 2HB PRO 16 2HB PRO 16 25.983 9.605 3.706 115 1HG PRO 16 1HG PRO 16 25.167 10.163 6.448 116 2HG PRO 16 2HG PRO 16 24.178 10.069 4.983 117 1HD PRO 16 1HD PRO 16 24.561 8.051 7.049 118 2HD PRO 16 2HD PRO 16 23.410 8.061 5.703 119 H GLN 17 H GLN 17 26.471 8.774 7.274 120 HA GLN 17 HA GLN 17 29.210 8.570 8.035 121 1HB GLN 17 1HB GLN 17 26.610 8.802 9.520 122 2HB GLN 17 2HB GLN 17 28.079 8.431 10.425 123 1HG GLN 17 1HG GLN 17 27.759 10.783 8.537 124 2HG GLN 17 2HG GLN 17 27.646 10.881 10.295 125 1HE2 GLN 17 2HE2 GLN 17 29.700 12.156 8.529 126 2HE2 GLN 17 1HE2 GLN 17 31.197 11.556 9.058 127 H VAL 18 H VAL 18 26.629 6.215 7.919 128 HA VAL 18 HA VAL 18 27.926 4.255 9.626 129 HB VAL 18 HB VAL 18 25.839 3.818 7.486 130 1HG1 VAL 18 1HG1 VAL 18 27.041 1.793 8.339 131 2HG1 VAL 18 2HG1 VAL 18 26.508 2.212 9.967 132 3HG1 VAL 18 3HG1 VAL 18 25.322 1.790 8.732 133 1HG2 VAL 18 1HG2 VAL 18 25.145 5.517 9.164 134 2HG2 VAL 18 2HG2 VAL 18 24.201 4.035 9.309 135 3HG2 VAL 18 3HG2 VAL 18 25.503 4.366 10.451 136 H LEU 19 H LEU 19 28.141 5.117 6.233 137 HA LEU 19 HA LEU 19 29.365 2.658 5.342 138 1HB LEU 19 1HB LEU 19 28.415 4.684 3.949 139 2HB LEU 19 2HB LEU 19 30.051 5.322 4.124 140 HG LEU 19 HG LEU 19 30.276 2.566 3.429 141 1HD1 LEU 19 1HD1 LEU 19 28.428 4.154 1.621 142 2HD1 LEU 19 2HD1 LEU 19 29.136 2.588 1.228 143 3HD1 LEU 19 3HD1 LEU 19 27.983 2.726 2.555 144 1HD2 LEU 19 1HD2 LEU 19 31.364 5.082 2.744 145 2HD2 LEU 19 2HD2 LEU 19 31.938 3.498 2.221 146 3HD2 LEU 19 3HD2 LEU 19 30.777 4.385 1.234 147 H ALA 20 H ALA 20 30.756 5.824 6.261 148 HA ALA 20 HA ALA 20 33.490 5.162 6.125 149 1HB ALA 20 1HB ALA 20 32.026 6.863 8.169 150 2HB ALA 20 2HB ALA 20 33.777 6.844 7.964 151 3HB ALA 20 3HB ALA 20 32.743 7.427 6.660 152 H ALA 21 H ALA 21 31.210 4.751 8.785 153 HA ALA 21 HA ALA 21 32.864 3.590 10.734 154 1HB ALA 21 1HB ALA 21 30.095 3.944 10.322 155 2HB ALA 21 2HB ALA 21 30.311 2.215 10.591 156 3HB ALA 21 3HB ALA 21 30.876 3.372 11.796 157 H VAL 22 H VAL 22 30.938 1.875 8.285 158 HA VAL 22 HA VAL 22 31.762 -0.743 8.788 159 HB VAL 22 HB VAL 22 31.269 0.576 6.100 160 1HG1 VAL 22 1HG1 VAL 22 32.493 -1.820 6.429 161 2HG1 VAL 22 2HG1 VAL 22 30.807 -2.328 6.519 162 3HG1 VAL 22 3HG1 VAL 22 31.397 -1.478 5.091 163 1HG2 VAL 22 1HG2 VAL 22 29.570 -0.336 8.301 164 2HG2 VAL 22 2HG2 VAL 22 29.156 0.662 6.908 165 3HG2 VAL 22 3HG2 VAL 22 29.148 -1.096 6.767 166 H ILE 23 H ILE 23 33.529 1.853 7.217 167 HA ILE 23 HA ILE 23 35.675 0.113 6.286 168 HB ILE 23 HB ILE 23 35.477 3.129 6.541 169 1HG1 ILE 23 1HG1 ILE 23 35.394 1.302 4.117 170 2HG1 ILE 23 2HG1 ILE 23 33.974 2.022 4.876 171 1HG2 ILE 23 1HG2 ILE 23 37.831 2.100 6.643 172 2HG2 ILE 23 2HG2 ILE 23 37.548 1.574 4.983 173 3HG2 ILE 23 3HG2 ILE 23 37.545 3.294 5.377 174 1HD1 ILE 23 1HD1 ILE 23 36.304 3.625 3.787 175 2HD1 ILE 23 2HD1 ILE 23 34.815 3.317 2.894 176 3HD1 ILE 23 3HD1 ILE 23 34.770 4.258 4.384 177 H PHE 24 H PHE 24 35.104 2.189 9.099 178 HA PHE 24 HA PHE 24 37.751 2.080 10.173 179 1HB PHE 24 1HB PHE 24 35.193 3.044 10.999 180 2HB PHE 24 2HB PHE 24 35.789 1.995 12.285 181 HD1 PHE 24 HD1 PHE 24 37.192 4.563 9.919 182 HD2 PHE 24 HD2 PHE 24 37.064 3.032 13.931 183 HE1 PHE 24 HE1 PHE 24 38.747 6.352 10.653 184 HE2 PHE 24 HE2 PHE 24 38.617 4.820 14.663 185 HZ PHE 24 HZ PHE 24 39.458 6.480 13.025 186 H ILE 25 H ILE 25 34.939 -0.072 10.551 187 HA ILE 25 HA ILE 25 36.396 -1.937 12.258 188 HB ILE 25 HB ILE 25 33.813 -2.296 10.695 189 1HG1 ILE 25 1HG1 ILE 25 33.536 -2.099 13.560 190 2HG1 ILE 25 2HG1 ILE 25 34.416 -0.694 12.957 191 1HG2 ILE 25 1HG2 ILE 25 35.458 -4.121 12.218 192 2HG2 ILE 25 2HG2 ILE 25 33.902 -3.904 13.019 193 3HG2 ILE 25 3HG2 ILE 25 33.963 -4.450 11.343 194 1HD1 ILE 25 1HD1 ILE 25 32.271 -1.240 11.146 195 2HD1 ILE 25 2HD1 ILE 25 31.616 -1.216 12.783 196 3HD1 ILE 25 3HD1 ILE 25 32.502 0.178 12.167 197 H TYR 26 H TYR 26 35.771 -1.519 8.815 198 HA TYR 26 HA TYR 26 36.705 -4.132 8.004 199 1HB TYR 26 1HB TYR 26 35.905 -1.634 6.728 200 2HB TYR 26 2HB TYR 26 37.308 -2.343 5.933 201 HD1 TYR 26 HD1 TYR 26 36.775 -5.246 6.483 202 HD2 TYR 26 HD2 TYR 26 34.162 -2.095 5.183 203 HE1 TYR 26 HE1 TYR 26 35.303 -6.917 5.390 204 HE2 TYR 26 HE2 TYR 26 32.689 -3.764 4.092 205 HH TYR 26 HH TYR 26 33.084 -6.203 3.119 206 H PHE 27 H PHE 27 38.176 -1.269 9.169 207 HA PHE 27 HA PHE 27 40.845 -1.853 8.090 208 1HB PHE 27 1HB PHE 27 39.595 0.459 8.907 209 2HB PHE 27 2HB PHE 27 40.566 0.065 10.326 210 HD1 PHE 27 HD1 PHE 27 40.918 0.062 6.584 211 HD2 PHE 27 HD2 PHE 27 42.738 0.898 10.383 212 HE1 PHE 27 HE1 PHE 27 42.945 0.899 5.428 213 HE2 PHE 27 HE2 PHE 27 44.767 1.734 9.226 214 HZ PHE 27 HZ PHE 27 44.870 1.734 6.749 215 H ALA 28 H ALA 28 39.036 -2.043 11.098 216 HA ALA 28 HA ALA 28 41.009 -2.772 12.947 217 1HB ALA 28 1HB ALA 28 38.403 -2.491 13.166 218 2HB ALA 28 2HB ALA 28 38.381 -4.229 12.868 219 3HB ALA 28 3HB ALA 28 39.250 -3.584 14.261 220 H ALA 29 H ALA 29 39.123 -4.925 10.839 221 HA ALA 29 HA ALA 29 40.632 -7.292 11.594 222 1HB ALA 29 1HB ALA 29 38.659 -6.686 9.390 223 2HB ALA 29 2HB ALA 29 39.408 -8.270 9.585 224 3HB ALA 29 3HB ALA 29 38.382 -7.617 10.863 225 H LEU 30 H LEU 30 40.493 -5.290 8.666 226 HA LEU 30 HA LEU 30 42.472 -6.742 7.198 227 1HB LEU 30 1HB LEU 30 41.194 -4.059 6.968 228 2HB LEU 30 2HB LEU 30 42.660 -4.352 6.037 229 HG LEU 30 HG LEU 30 40.635 -4.934 4.738 230 1HD1 LEU 30 1HD1 LEU 30 42.922 -6.531 5.191 231 2HD1 LEU 30 2HD1 LEU 30 41.557 -7.643 5.089 232 3HD1 LEU 30 3HD1 LEU 30 41.887 -6.527 3.764 233 1HD2 LEU 30 1HD2 LEU 30 40.186 -6.800 7.078 234 2HD2 LEU 30 2HD2 LEU 30 39.085 -5.578 6.442 235 3HD2 LEU 30 3HD2 LEU 30 39.411 -7.041 5.513 236 H SER 31 H SER 31 43.074 -5.140 10.027 237 HA SER 31 HA SER 31 45.198 -3.421 9.637 238 1HB SER 31 1HB SER 31 45.992 -5.161 11.749 239 2HB SER 31 2HB SER 31 45.275 -3.556 11.865 240 HG SER 31 HG SER 31 44.040 -5.268 12.866 241 HA PRO 32 HA PRO 32 48.300 -7.030 9.047 242 1HB PRO 32 1HB PRO 32 47.453 -9.571 9.562 243 2HB PRO 32 2HB PRO 32 48.009 -8.457 10.821 244 1HG PRO 32 1HG PRO 32 45.327 -9.468 10.340 245 2HG PRO 32 2HG PRO 32 45.944 -8.559 11.728 246 1HD PRO 32 1HD PRO 32 44.435 -7.584 9.415 247 2HD PRO 32 2HD PRO 32 44.771 -6.767 10.949 248 H ALA 33 H ALA 33 45.122 -7.487 7.687 249 HA ALA 33 HA ALA 33 45.964 -9.423 5.680 250 1HB ALA 33 1HB ALA 33 43.491 -8.102 6.461 251 2HB ALA 33 2HB ALA 33 43.675 -8.166 4.709 252 3HB ALA 33 3HB ALA 33 43.724 -9.653 5.655 253 H ILE 34 H ILE 34 45.860 -5.928 5.900 254 HA ILE 34 HA ILE 34 45.914 -5.215 3.178 255 HB ILE 34 HB ILE 34 47.455 -3.299 4.033 256 1HG1 ILE 34 1HG1 ILE 34 46.607 -3.761 6.766 257 2HG1 ILE 34 2HG1 ILE 34 47.626 -5.087 6.206 258 1HG2 ILE 34 1HG2 ILE 34 44.894 -3.347 3.772 259 2HG2 ILE 34 2HG2 ILE 34 44.842 -3.642 5.510 260 3HG2 ILE 34 3HG2 ILE 34 45.558 -2.154 4.889 261 1HD1 ILE 34 1HD1 ILE 34 48.544 -2.361 5.481 262 2HD1 ILE 34 2HD1 ILE 34 48.626 -2.768 7.195 263 3HD1 ILE 34 3HD1 ILE 34 49.478 -3.760 6.012 264 H THR 35 H THR 35 48.573 -6.372 5.237 265 HA THR 35 HA THR 35 50.462 -6.149 2.984 266 HB THR 35 HB THR 35 51.326 -5.566 5.174 267 HG1 THR 35 HG1 THR 35 53.064 -6.504 4.512 268 1HG2 THR 35 1HG2 THR 35 49.928 -8.070 5.921 269 2HG2 THR 35 2HG2 THR 35 51.472 -7.786 6.726 270 3HG2 THR 35 3HG2 THR 35 50.177 -6.595 6.856 271 H PHE 36 H PHE 36 48.394 -8.512 4.417 272 HA PHE 36 HA PHE 36 49.916 -10.821 3.492 273 1HB PHE 36 1HB PHE 36 47.174 -10.420 4.668 274 2HB PHE 36 2HB PHE 36 47.643 -11.979 3.994 275 HD1 PHE 36 HD1 PHE 36 50.445 -10.136 5.265 276 HD2 PHE 36 HD2 PHE 36 47.224 -12.724 6.444 277 HE1 PHE 36 HE1 PHE 36 51.650 -10.683 7.363 278 HE2 PHE 36 HE2 PHE 36 48.431 -13.269 8.540 279 HZ PHE 36 HZ PHE 36 50.642 -12.249 8.999 280 H GLY 37 H GLY 37 46.516 -10.694 2.691 281 1HA GLY 37 1HA GLY 37 47.276 -11.012 -0.173 282 2HA GLY 37 2HA GLY 37 45.769 -11.584 0.542 283 H GLY 38 H GLY 38 45.044 -10.300 -1.504 284 1HA GLY 38 1HA GLY 38 43.343 -8.394 -1.373 285 2HA GLY 38 2HA GLY 38 44.688 -7.421 -0.776 286 H LEU 39 H LEU 39 43.494 -9.193 -3.605 287 HA LEU 39 HA LEU 39 45.519 -8.722 -5.452 288 1HB LEU 39 1HB LEU 39 43.914 -9.003 -7.157 289 2HB LEU 39 2HB LEU 39 43.210 -9.859 -5.787 290 HG LEU 39 HG LEU 39 42.565 -6.984 -6.506 291 1HD1 LEU 39 1HD1 LEU 39 41.837 -8.772 -8.186 292 2HD1 LEU 39 2HD1 LEU 39 40.806 -9.412 -6.905 293 3HD1 LEU 39 3HD1 LEU 39 40.549 -7.775 -7.509 294 1HD2 LEU 39 1HD2 LEU 39 41.327 -8.970 -4.572 295 2HD2 LEU 39 2HD2 LEU 39 42.232 -7.520 -4.138 296 3HD2 LEU 39 3HD2 LEU 39 40.666 -7.376 -4.935 297 H LEU 40 H LEU 40 46.067 -6.973 -6.832 298 HA LEU 40 HA LEU 40 45.450 -4.327 -5.696 299 1HB LEU 40 1HB LEU 40 47.768 -5.077 -6.485 300 2HB LEU 40 2HB LEU 40 47.149 -4.901 -8.128 301 HG LEU 40 HG LEU 40 46.341 -2.542 -7.012 302 1HD1 LEU 40 1HD1 LEU 40 49.031 -3.252 -5.800 303 2HD1 LEU 40 2HD1 LEU 40 48.270 -1.662 -5.738 304 3HD1 LEU 40 3HD1 LEU 40 47.526 -3.029 -4.908 305 1HD2 LEU 40 1HD2 LEU 40 48.879 -3.315 -8.460 306 2HD2 LEU 40 2HD2 LEU 40 47.420 -2.585 -9.130 307 3HD2 LEU 40 3HD2 LEU 40 48.491 -1.632 -8.104 308 H GLY 41 H GLY 41 45.624 -5.365 -9.118 309 1HA GLY 41 1HA GLY 41 44.343 -4.587 -10.940 310 2HA GLY 41 2HA GLY 41 42.982 -5.006 -9.895 311 H GLU 42 H GLU 42 41.761 -3.158 -10.653 312 HA GLU 42 HA GLU 42 42.819 -0.473 -10.469 313 1HB GLU 42 1HB GLU 42 40.876 -1.123 -11.919 314 2HB GLU 42 2HB GLU 42 39.913 -1.346 -10.458 315 1HG GLU 42 1HG GLU 42 39.784 0.913 -10.028 316 2HG GLU 42 2HG GLU 42 41.361 1.245 -10.746 317 H LYS 43 H LYS 43 41.707 -2.710 -8.146 318 HA LYS 43 HA LYS 43 41.401 -2.504 -5.829 319 1HB LYS 43 1HB LYS 43 43.469 -0.945 -6.269 320 2HB LYS 43 2HB LYS 43 42.313 0.356 -5.983 321 1HG LYS 43 1HG LYS 43 42.937 0.022 -3.803 322 2HG LYS 43 2HG LYS 43 41.707 -1.240 -3.891 323 1HD LYS 43 1HD LYS 43 44.174 -2.274 -4.937 324 2HD LYS 43 2HD LYS 43 44.480 -1.556 -3.355 325 1HE LYS 43 1HE LYS 43 42.125 -2.886 -2.904 326 2HE LYS 43 2HE LYS 43 42.919 -3.957 -4.059 327 1HZ LYS 43 1HZ LYS 43 44.856 -3.134 -2.254 328 2HZ LYS 43 2HZ LYS 43 43.499 -3.567 -1.328 329 3HZ LYS 43 3HZ LYS 43 44.178 -4.684 -2.410 Start of MODEL 8 1 1H ACE 1 HA1 ACE 1 30.754 -5.923 -12.562 2 2H ACE 1 HA2 ACE 1 29.473 -6.456 -13.651 3 3H ACE 1 HA3 ACE 1 30.282 -7.622 -12.603 4 H ARG 2 H ARG 2 30.294 -6.125 -10.202 5 HA ARG 2 HA ARG 2 27.557 -5.250 -9.627 6 1HB ARG 2 1HB ARG 2 28.373 -8.005 -9.197 7 2HB ARG 2 2HB ARG 2 27.940 -7.230 -7.673 8 1HG ARG 2 1HG ARG 2 25.802 -6.483 -8.665 9 2HG ARG 2 2HG ARG 2 26.230 -7.285 -10.176 10 1HD ARG 2 1HD ARG 2 26.037 -9.428 -9.245 11 2HD ARG 2 2HD ARG 2 26.234 -8.833 -7.597 12 HE ARG 2 HE ARG 2 23.744 -8.538 -9.218 13 1HH1 ARG 2 1HH2 ARG 2 23.629 -10.403 -6.968 14 2HH1 ARG 2 2HH2 ARG 2 23.053 -9.424 -5.661 15 1HH2 ARG 2 1HH1 ARG 2 23.795 -6.424 -7.236 16 2HH2 ARG 2 2HH1 ARG 2 23.148 -7.169 -5.813 17 H TYR 3 H TYR 3 30.387 -4.303 -9.393 18 HA TYR 3 HA TYR 3 31.123 -4.333 -6.603 19 1HB TYR 3 1HB TYR 3 32.245 -3.397 -9.025 20 2HB TYR 3 2HB TYR 3 32.094 -1.986 -7.978 21 HD1 TYR 3 HD1 TYR 3 32.587 -5.524 -6.922 22 HD2 TYR 3 HD2 TYR 3 34.354 -1.629 -7.317 23 HE1 TYR 3 HE1 TYR 3 34.549 -6.282 -5.609 24 HE2 TYR 3 HE2 TYR 3 36.318 -2.388 -6.005 25 HH TYR 3 HH TYR 3 37.298 -4.095 -4.986 26 HA PRO 4 HA PRO 4 28.894 -0.057 -6.552 27 1HB PRO 4 1HB PRO 4 27.772 0.827 -8.875 28 2HB PRO 4 2HB PRO 4 29.469 1.102 -8.449 29 1HG PRO 4 1HG PRO 4 28.337 -0.655 -10.496 30 2HG PRO 4 2HG PRO 4 29.996 -0.066 -10.312 31 1HD PRO 4 1HD PRO 4 28.935 -2.652 -9.589 32 2HD PRO 4 2HD PRO 4 30.608 -2.080 -9.477 33 H TYR 5 H TYR 5 27.286 -2.420 -8.671 34 HA TYR 5 HA TYR 5 24.600 -1.594 -8.013 35 1HB TYR 5 1HB TYR 5 25.879 -3.865 -9.416 36 2HB TYR 5 2HB TYR 5 24.318 -4.223 -8.677 37 HD1 TYR 5 HD1 TYR 5 22.315 -2.803 -9.252 38 HD2 TYR 5 HD2 TYR 5 26.045 -2.486 -11.357 39 HE1 TYR 5 HE1 TYR 5 21.167 -1.626 -11.110 40 HE2 TYR 5 HE2 TYR 5 24.898 -1.310 -13.214 41 HH TYR 5 HH TYR 5 21.884 0.035 -12.954 42 H TYR 6 H TYR 6 26.988 -3.227 -6.220 43 HA TYR 6 HA TYR 6 25.233 -4.912 -4.635 44 1HB TYR 6 1HB TYR 6 28.058 -4.361 -4.820 45 2HB TYR 6 2HB TYR 6 27.547 -4.273 -3.135 46 HD1 TYR 6 HD1 TYR 6 25.298 -6.209 -3.109 47 HD2 TYR 6 HD2 TYR 6 29.157 -6.449 -4.981 48 HE1 TYR 6 HE1 TYR 6 25.193 -8.686 -3.008 49 HE2 TYR 6 HE2 TYR 6 29.053 -8.925 -4.879 50 HH TYR 6 HH TYR 6 26.160 -10.593 -3.655 51 H LEU 7 H LEU 7 27.117 -2.028 -3.658 52 HA LEU 7 HA LEU 7 25.468 -1.574 -1.321 53 1HB LEU 7 1HB LEU 7 27.603 0.000 -2.749 54 2HB LEU 7 2HB LEU 7 26.706 0.702 -1.401 55 HG LEU 7 HG LEU 7 27.929 -2.027 -1.107 56 1HD1 LEU 7 1HD1 LEU 7 29.707 -0.496 -1.971 57 2HD1 LEU 7 2HD1 LEU 7 29.381 0.592 -0.622 58 3HD1 LEU 7 3HD1 LEU 7 30.008 -1.028 -0.317 59 1HD2 LEU 7 1HD2 LEU 7 26.379 -1.131 0.612 60 2HD2 LEU 7 2HD2 LEU 7 28.009 -1.330 1.254 61 3HD2 LEU 7 3HD2 LEU 7 27.426 0.274 0.810 62 H SER 8 H SER 8 25.599 -0.179 -4.566 63 HA SER 8 HA SER 8 23.530 1.797 -3.976 64 1HB SER 8 1HB SER 8 25.484 1.535 -5.927 65 2HB SER 8 2HB SER 8 23.993 1.207 -6.805 66 HG SER 8 HG SER 8 24.632 3.472 -5.218 67 H ASP 9 H ASP 9 22.991 -1.247 -3.786 68 HA ASP 9 HA ASP 9 21.014 -1.692 -5.894 69 1HB ASP 9 1HB ASP 9 22.425 -3.308 -4.039 70 2HB ASP 9 2HB ASP 9 20.710 -3.493 -3.669 71 H ILE 10 H ILE 10 20.691 -1.737 -2.327 72 HA ILE 10 HA ILE 10 17.870 -0.932 -2.609 73 HB ILE 10 HB ILE 10 18.951 -2.714 -0.976 74 1HG1 ILE 10 1HG1 ILE 10 16.783 -0.762 -0.147 75 2HG1 ILE 10 2HG1 ILE 10 16.553 -2.209 -1.129 76 1HG2 ILE 10 1HG2 ILE 10 20.484 -1.120 0.116 77 2HG2 ILE 10 2HG2 ILE 10 19.103 -0.160 0.647 78 3HG2 ILE 10 3HG2 ILE 10 19.334 -1.793 1.272 79 1HD1 ILE 10 1HD1 ILE 10 17.925 -2.603 1.477 80 2HD1 ILE 10 2HD1 ILE 10 16.212 -2.192 1.553 81 3HD1 ILE 10 3HD1 ILE 10 16.737 -3.622 0.664 82 H THR 11 H THR 11 20.894 0.315 -1.292 83 HA THR 11 HA THR 11 19.628 2.758 -0.287 84 HB THR 11 HB THR 11 21.960 3.436 0.248 85 HG1 THR 11 HG1 THR 11 22.743 2.184 -1.653 86 1HG2 THR 11 1HG2 THR 11 21.051 0.657 1.013 87 2HG2 THR 11 2HG2 THR 11 22.457 1.430 1.746 88 3HG2 THR 11 3HG2 THR 11 20.858 2.151 1.930 89 H ASP 12 H ASP 12 19.611 2.055 -3.273 90 HA ASP 12 HA ASP 12 21.336 3.968 -4.568 91 1HB ASP 12 1HB ASP 12 20.121 3.459 -6.572 92 2HB ASP 12 2HB ASP 12 20.237 1.955 -5.661 93 H ALA 13 H ALA 13 17.851 4.046 -3.729 94 HA ALA 13 HA ALA 13 17.912 6.975 -4.239 95 1HB ALA 13 1HB ALA 13 16.081 5.021 -5.017 96 2HB ALA 13 2HB ALA 13 15.288 5.843 -3.672 97 3HB ALA 13 3HB ALA 13 15.827 6.766 -5.075 98 H PHE 14 H PHE 14 17.788 4.646 -1.725 99 HA PHE 14 HA PHE 14 16.393 6.376 0.177 100 1HB PHE 14 1HB PHE 14 17.807 3.721 0.413 101 2HB PHE 14 2HB PHE 14 17.184 4.577 1.825 102 HD1 PHE 14 HD1 PHE 14 16.262 2.942 -1.366 103 HD2 PHE 14 HD2 PHE 14 14.818 4.757 2.249 104 HE1 PHE 14 HE1 PHE 14 13.985 2.082 -1.845 105 HE2 PHE 14 HE2 PHE 14 12.540 3.898 1.770 106 HZ PHE 14 HZ PHE 14 12.124 2.561 -0.277 107 H SER 15 H SER 15 19.693 5.007 0.135 108 HA SER 15 HA SER 15 20.597 7.507 1.488 109 1HB SER 15 1HB SER 15 20.724 5.756 3.119 110 2HB SER 15 2HB SER 15 21.436 4.640 1.958 111 HG SER 15 HG SER 15 23.291 5.408 2.543 112 HA PRO 16 HA PRO 16 23.130 7.213 -2.322 113 1HB PRO 16 1HB PRO 16 22.558 9.737 -3.182 114 2HB PRO 16 2HB PRO 16 21.526 8.342 -3.538 115 1HG PRO 16 1HG PRO 16 21.010 10.611 -1.773 116 2HG PRO 16 2HG PRO 16 19.882 9.400 -2.403 117 1HD PRO 16 1HD PRO 16 21.129 9.514 0.219 118 2HD PRO 16 2HD PRO 16 19.873 8.410 -0.363 119 H GLN 17 H GLN 17 22.783 10.395 -0.702 120 HA GLN 17 HA GLN 17 25.492 11.162 -0.994 121 1HB GLN 17 1HB GLN 17 23.201 12.018 0.643 122 2HB GLN 17 2HB GLN 17 24.767 12.326 1.394 123 1HG GLN 17 1HG GLN 17 24.247 14.259 0.061 124 2HG GLN 17 2HG GLN 17 25.498 13.364 -0.804 125 1HE2 GLN 17 2HE2 GLN 17 21.938 13.838 -0.697 126 2HE2 GLN 17 1HE2 GLN 17 21.684 13.450 -2.330 127 H VAL 18 H VAL 18 23.933 9.840 1.924 128 HA VAL 18 HA VAL 18 26.256 9.370 3.446 129 HB VAL 18 HB VAL 18 23.639 7.888 3.254 130 1HG1 VAL 18 1HG1 VAL 18 26.003 7.372 5.073 131 2HG1 VAL 18 2HG1 VAL 18 24.368 6.837 5.462 132 3HG1 VAL 18 3HG1 VAL 18 25.180 6.218 4.024 133 1HG2 VAL 18 1HG2 VAL 18 24.282 10.310 4.366 134 2HG2 VAL 18 2HG2 VAL 18 22.939 9.299 4.899 135 3HG2 VAL 18 3HG2 VAL 18 24.486 9.227 5.742 136 H LEU 19 H LEU 19 25.037 7.722 0.631 137 HA LEU 19 HA LEU 19 26.486 5.261 0.910 138 1HB LEU 19 1HB LEU 19 24.675 6.075 -0.868 139 2HB LEU 19 2HB LEU 19 26.114 6.511 -1.787 140 HG LEU 19 HG LEU 19 25.558 4.263 -2.415 141 1HD1 LEU 19 1HD1 LEU 19 27.991 4.872 -1.735 142 2HD1 LEU 19 2HD1 LEU 19 27.687 3.869 -0.316 143 3HD1 LEU 19 3HD1 LEU 19 27.588 3.166 -1.930 144 1HD2 LEU 19 1HD2 LEU 19 25.230 3.901 0.561 145 2HD2 LEU 19 2HD2 LEU 19 24.096 3.502 -0.729 146 3HD2 LEU 19 3HD2 LEU 19 25.534 2.512 -0.483 147 H ALA 20 H ALA 20 27.286 8.250 -0.881 148 HA ALA 20 HA ALA 20 29.901 7.531 -1.687 149 1HB ALA 20 1HB ALA 20 28.640 10.186 -0.983 150 2HB ALA 20 2HB ALA 20 30.305 10.069 -1.553 151 3HB ALA 20 3HB ALA 20 28.979 9.535 -2.587 152 H ALA 21 H ALA 21 28.843 9.281 1.211 153 HA ALA 21 HA ALA 21 31.272 9.708 2.511 154 1HB ALA 21 1HB ALA 21 28.692 10.086 3.195 155 2HB ALA 21 2HB ALA 21 29.023 8.654 4.168 156 3HB ALA 21 3HB ALA 21 29.988 10.114 4.392 157 H VAL 22 H VAL 22 29.200 6.859 2.914 158 HA VAL 22 HA VAL 22 30.935 5.340 4.537 159 HB VAL 22 HB VAL 22 28.824 4.549 2.522 160 1HG1 VAL 22 1HG1 VAL 22 30.520 2.742 2.640 161 2HG1 VAL 22 2HG1 VAL 22 30.364 2.723 4.396 162 3HG1 VAL 22 3HG1 VAL 22 28.999 2.252 3.385 163 1HG2 VAL 22 1HG2 VAL 22 29.030 4.654 5.542 164 2HG2 VAL 22 2HG2 VAL 22 27.926 5.554 4.503 165 3HG2 VAL 22 3HG2 VAL 22 27.722 3.814 4.708 166 H ILE 23 H ILE 23 30.812 5.638 1.001 167 HA ILE 23 HA ILE 23 32.806 3.612 0.503 168 HB ILE 23 HB ILE 23 31.963 5.994 -1.179 169 1HG1 ILE 23 1HG1 ILE 23 31.068 3.097 -1.095 170 2HG1 ILE 23 2HG1 ILE 23 30.084 4.525 -0.767 171 1HG2 ILE 23 1HG2 ILE 23 34.209 4.964 -1.734 172 2HG2 ILE 23 2HG2 ILE 23 33.362 3.450 -2.048 173 3HG2 ILE 23 3HG2 ILE 23 33.020 4.873 -3.033 174 1HD1 ILE 23 1HD1 ILE 23 30.485 5.284 -3.116 175 2HD1 ILE 23 2HD1 ILE 23 31.334 3.769 -3.423 176 3HD1 ILE 23 3HD1 ILE 23 29.615 3.752 -3.026 177 H PHE 24 H PHE 24 32.944 6.982 1.389 178 HA PHE 24 HA PHE 24 35.616 7.554 0.567 179 1HB PHE 24 1HB PHE 24 33.727 9.080 1.647 180 2HB PHE 24 2HB PHE 24 34.525 8.633 3.153 181 HD1 PHE 24 HD1 PHE 24 34.963 10.316 -0.114 182 HD2 PHE 24 HD2 PHE 24 36.752 9.406 3.684 183 HE1 PHE 24 HE1 PHE 24 36.758 11.967 -0.563 184 HE2 PHE 24 HE2 PHE 24 38.546 11.056 3.235 185 HZ PHE 24 HZ PHE 24 38.549 12.337 1.112 186 H ILE 25 H ILE 25 34.267 6.096 3.498 187 HA ILE 25 HA ILE 25 36.847 5.754 4.786 188 HB ILE 25 HB ILE 25 34.275 4.222 5.291 189 1HG1 ILE 25 1HG1 ILE 25 35.070 6.556 6.963 190 2HG1 ILE 25 2HG1 ILE 25 34.428 6.916 5.360 191 1HG2 ILE 25 1HG2 ILE 25 36.704 3.667 6.287 192 2HG2 ILE 25 2HG2 ILE 25 36.248 4.948 7.409 193 3HG2 ILE 25 3HG2 ILE 25 35.241 3.508 7.258 194 1HD1 ILE 25 1HD1 ILE 25 32.678 4.993 6.235 195 2HD1 ILE 25 2HD1 ILE 25 33.051 5.843 7.734 196 3HD1 ILE 25 3HD1 ILE 25 32.397 6.729 6.357 197 H TYR 26 H TYR 26 34.718 3.682 2.801 198 HA TYR 26 HA TYR 26 36.297 1.302 3.012 199 1HB TYR 26 1HB TYR 26 33.939 1.645 1.956 200 2HB TYR 26 2HB TYR 26 34.825 2.095 0.498 201 HD1 TYR 26 HD1 TYR 26 36.291 0.469 -0.644 202 HD2 TYR 26 HD2 TYR 26 33.938 -0.634 2.778 203 HE1 TYR 26 HE1 TYR 26 36.660 -1.928 -1.161 204 HE2 TYR 26 HE2 TYR 26 34.307 -3.031 2.259 205 HH TYR 26 HH TYR 26 36.414 -4.026 -0.426 206 H PHE 27 H PHE 27 36.705 4.275 1.335 207 HA PHE 27 HA PHE 27 38.729 3.289 -0.547 208 1HB PHE 27 1HB PHE 27 37.081 5.597 -0.260 209 2HB PHE 27 2HB PHE 27 38.756 6.141 -0.200 210 HD1 PHE 27 HD1 PHE 27 40.302 5.688 -2.091 211 HD2 PHE 27 HD2 PHE 27 36.141 4.629 -2.270 212 HE1 PHE 27 HE1 PHE 27 40.477 5.409 -4.549 213 HE2 PHE 27 HE2 PHE 27 36.319 4.350 -4.727 214 HZ PHE 27 HZ PHE 27 38.487 4.740 -5.867 215 H ALA 28 H ALA 28 38.500 4.819 2.558 216 HA ALA 28 HA ALA 28 41.231 5.701 2.757 217 1HB ALA 28 1HB ALA 28 39.174 5.077 4.893 218 2HB ALA 28 2HB ALA 28 40.715 5.881 5.193 219 3HB ALA 28 3HB ALA 28 39.499 6.656 4.178 220 H ALA 29 H ALA 29 39.639 2.985 4.496 221 HA ALA 29 HA ALA 29 42.299 1.845 5.025 222 1HB ALA 29 1HB ALA 29 40.134 2.004 6.585 223 2HB ALA 29 2HB ALA 29 39.827 0.423 5.865 224 3HB ALA 29 3HB ALA 29 41.322 0.712 6.756 225 H LEU 30 H LEU 30 39.249 0.377 3.828 226 HA LEU 30 HA LEU 30 40.762 -1.858 2.719 227 1HB LEU 30 1HB LEU 30 37.836 -1.318 2.237 228 2HB LEU 30 2HB LEU 30 38.673 -2.870 2.293 229 HG LEU 30 HG LEU 30 38.125 -1.004 4.617 230 1HD1 LEU 30 1HD1 LEU 30 36.795 -3.302 3.489 231 2HD1 LEU 30 2HD1 LEU 30 37.367 -3.687 5.112 232 3HD1 LEU 30 3HD1 LEU 30 36.302 -2.304 4.857 233 1HD2 LEU 30 1HD2 LEU 30 39.809 -3.523 4.457 234 2HD2 LEU 30 2HD2 LEU 30 40.368 -1.906 4.883 235 3HD2 LEU 30 3HD2 LEU 30 39.287 -2.780 5.969 236 H SER 31 H SER 31 41.106 0.904 1.515 237 HA SER 31 HA SER 31 39.844 1.015 -1.027 238 1HB SER 31 1HB SER 31 41.879 2.458 0.295 239 2HB SER 31 2HB SER 31 42.573 1.921 -1.230 240 HG SER 31 HG SER 31 41.348 3.308 -2.208 241 HA PRO 32 HA PRO 32 43.435 -1.762 -2.638 242 1HB PRO 32 1HB PRO 32 45.543 -2.202 -0.967 243 2HB PRO 32 2HB PRO 32 45.383 -0.737 -1.952 244 1HG PRO 32 1HG PRO 32 45.212 -1.017 0.938 245 2HG PRO 32 2HG PRO 32 45.296 0.459 -0.036 246 1HD PRO 32 1HD PRO 32 42.943 -0.842 1.140 247 2HD PRO 32 2HD PRO 32 43.098 0.792 0.473 248 H ALA 33 H ALA 33 42.033 -2.341 0.415 249 HA ALA 33 HA ALA 33 42.880 -4.810 1.300 250 1HB ALA 33 1HB ALA 33 40.064 -3.755 0.993 251 2HB ALA 33 2HB ALA 33 40.420 -5.276 1.811 252 3HB ALA 33 3HB ALA 33 41.067 -3.763 2.444 253 H ILE 34 H ILE 34 41.252 -4.137 -1.709 254 HA ILE 34 HA ILE 34 40.078 -6.462 -2.518 255 HB ILE 34 HB ILE 34 41.974 -4.658 -4.019 256 1HG1 ILE 34 1HG1 ILE 34 39.499 -4.558 -5.195 257 2HG1 ILE 34 2HG1 ILE 34 39.072 -4.876 -3.514 258 1HG2 ILE 34 1HG2 ILE 34 40.411 -7.027 -5.091 259 2HG2 ILE 34 2HG2 ILE 34 41.167 -5.792 -6.097 260 3HG2 ILE 34 3HG2 ILE 34 42.165 -6.841 -5.090 261 1HD1 ILE 34 1HD1 ILE 34 41.174 -2.889 -3.662 262 2HD1 ILE 34 2HD1 ILE 34 39.789 -2.396 -4.635 263 3HD1 ILE 34 3HD1 ILE 34 39.577 -2.763 -2.924 264 H THR 35 H THR 35 43.507 -6.083 -3.477 265 HA THR 35 HA THR 35 43.803 -8.998 -3.401 266 HB THR 35 HB THR 35 44.882 -7.893 -5.232 267 HG1 THR 35 HG1 THR 35 46.811 -8.794 -4.994 268 1HG2 THR 35 1HG2 THR 35 45.706 -6.006 -3.091 269 2HG2 THR 35 2HG2 THR 35 46.864 -6.270 -4.395 270 3HG2 THR 35 3HG2 THR 35 45.242 -5.682 -4.761 271 H PHE 36 H PHE 36 44.693 -6.268 -1.387 272 HA PHE 36 HA PHE 36 46.637 -7.802 0.161 273 1HB PHE 36 1HB PHE 36 46.721 -5.295 -0.083 274 2HB PHE 36 2HB PHE 36 45.281 -5.204 0.932 275 HD1 PHE 36 HD1 PHE 36 48.228 -7.495 1.151 276 HD2 PHE 36 HD2 PHE 36 46.005 -4.312 2.992 277 HE1 PHE 36 HE1 PHE 36 49.638 -7.685 3.181 278 HE2 PHE 36 HE2 PHE 36 47.416 -4.502 5.023 279 HZ PHE 36 HZ PHE 36 49.233 -6.189 5.118 280 H GLY 37 H GLY 37 46.238 -8.990 1.977 281 1HA GLY 37 1HA GLY 37 43.683 -8.659 3.424 282 2HA GLY 37 2HA GLY 37 43.960 -10.234 2.680 283 H GLY 38 H GLY 38 44.791 -8.161 5.325 284 1HA GLY 38 1HA GLY 38 45.563 -9.977 7.180 285 2HA GLY 38 2HA GLY 38 47.029 -9.864 6.202 286 H LEU 39 H LEU 39 44.812 -8.009 8.236 287 HA LEU 39 HA LEU 39 46.548 -5.645 8.204 288 1HB LEU 39 1HB LEU 39 44.926 -4.792 9.912 289 2HB LEU 39 2HB LEU 39 44.146 -5.314 8.419 290 HG LEU 39 HG LEU 39 44.273 -7.629 9.984 291 1HD1 LEU 39 1HD1 LEU 39 43.741 -5.161 11.627 292 2HD1 LEU 39 2HD1 LEU 39 42.975 -6.695 12.037 293 3HD1 LEU 39 3HD1 LEU 39 44.734 -6.562 12.030 294 1HD2 LEU 39 1HD2 LEU 39 42.034 -5.636 9.509 295 2HD2 LEU 39 2HD2 LEU 39 42.416 -7.051 8.527 296 3HD2 LEU 39 3HD2 LEU 39 41.790 -7.256 10.163 297 H LEU 40 H LEU 40 48.050 -5.113 9.761 298 HA LEU 40 HA LEU 40 48.509 -7.138 11.905 299 1HB LEU 40 1HB LEU 40 50.379 -6.654 10.283 300 2HB LEU 40 2HB LEU 40 50.412 -5.001 10.897 301 HG LEU 40 HG LEU 40 52.078 -6.626 11.958 302 1HD1 LEU 40 1HD1 LEU 40 50.928 -4.431 12.944 303 2HD1 LEU 40 2HD1 LEU 40 50.256 -5.592 14.089 304 3HD1 LEU 40 3HD1 LEU 40 52.004 -5.423 13.929 305 1HD2 LEU 40 1HD2 LEU 40 50.335 -8.484 12.086 306 2HD2 LEU 40 2HD2 LEU 40 51.259 -8.210 13.563 307 3HD2 LEU 40 3HD2 LEU 40 49.612 -7.594 13.426 308 H GLY 41 H GLY 41 48.848 -3.601 11.425 309 1HA GLY 41 1HA GLY 41 47.347 -3.093 13.886 310 2HA GLY 41 2HA GLY 41 49.062 -2.694 14.000 311 H GLU 42 H GLU 42 46.667 -0.894 14.000 312 HA GLU 42 HA GLU 42 46.592 0.500 11.474 313 1HB GLU 42 1HB GLU 42 45.862 1.425 14.270 314 2HB GLU 42 2HB GLU 42 45.491 2.311 12.790 315 1HG GLU 42 1HG GLU 42 43.889 0.788 12.111 316 2HG GLU 42 2HG GLU 42 44.659 -0.557 12.955 317 H LYS 43 H LYS 43 48.445 0.944 14.475 318 HA LYS 43 HA LYS 43 49.688 3.412 13.721 319 1HB LYS 43 1HB LYS 43 51.394 2.815 15.434 320 2HB LYS 43 2HB LYS 43 49.749 2.601 16.034 321 1HG LYS 43 1HG LYS 43 49.852 0.221 15.698 322 2HG LYS 43 2HG LYS 43 51.378 0.354 14.824 323 1HD LYS 43 1HD LYS 43 50.998 1.143 17.728 324 2HD LYS 43 2HD LYS 43 51.677 -0.395 17.194 325 1HE LYS 43 1HE LYS 43 53.694 0.595 17.072 326 2HE LYS 43 2HE LYS 43 53.071 1.610 15.770 327 1HZ LYS 43 1HZ LYS 43 52.836 2.203 18.672 328 2HZ LYS 43 2HZ LYS 43 53.949 2.924 17.611 329 3HZ LYS 43 3HZ LYS 43 52.286 3.189 17.403 Start of MODEL 9 1 1H ACE 1 HA1 ACE 1 17.934 1.673 -12.699 2 2H ACE 1 HA2 ACE 1 19.615 1.615 -12.168 3 3H ACE 1 HA3 ACE 1 18.889 3.155 -12.627 4 H ARG 2 H ARG 2 19.681 1.226 -10.010 5 HA ARG 2 HA ARG 2 17.477 2.166 -8.280 6 1HB ARG 2 1HB ARG 2 18.414 0.745 -6.587 7 2HB ARG 2 2HB ARG 2 18.496 -0.158 -8.098 8 1HG ARG 2 1HG ARG 2 20.862 1.532 -7.438 9 2HG ARG 2 2HG ARG 2 20.611 0.100 -6.445 10 1HD ARG 2 1HD ARG 2 21.191 -1.297 -8.125 11 2HD ARG 2 2HD ARG 2 20.225 -0.411 -9.305 12 HE ARG 2 HE ARG 2 22.917 0.576 -8.454 13 1HH1 ARG 2 1HH2 ARG 2 22.451 -1.457 -10.772 14 2HH1 ARG 2 2HH2 ARG 2 22.549 -0.385 -12.129 15 1HH2 ARG 2 1HH1 ARG 2 22.207 2.490 -10.219 16 2HH2 ARG 2 2HH1 ARG 2 22.407 1.851 -11.817 17 H TYR 3 H TYR 3 18.693 2.745 -5.906 18 HA TYR 3 HA TYR 3 21.020 4.287 -5.865 19 1HB TYR 3 1HB TYR 3 19.097 5.543 -7.502 20 2HB TYR 3 2HB TYR 3 19.114 6.459 -5.995 21 HD1 TYR 3 HD1 TYR 3 21.656 6.666 -4.989 22 HD2 TYR 3 HD2 TYR 3 20.582 6.300 -9.132 23 HE1 TYR 3 HE1 TYR 3 23.811 7.707 -5.639 24 HE2 TYR 3 HE2 TYR 3 22.737 7.343 -9.781 25 HH TYR 3 HH TYR 3 25.275 7.479 -8.151 26 HA PRO 4 HA PRO 4 18.105 5.595 -2.250 27 1HB PRO 4 1HB PRO 4 15.430 5.147 -2.535 28 2HB PRO 4 2HB PRO 4 16.243 6.607 -3.121 29 1HG PRO 4 1HG PRO 4 15.116 4.373 -4.646 30 2HG PRO 4 2HG PRO 4 15.537 6.005 -5.184 31 1HD PRO 4 1HD PRO 4 17.045 3.580 -5.545 32 2HD PRO 4 2HD PRO 4 17.445 5.212 -6.105 33 H TYR 5 H TYR 5 17.242 2.553 -3.839 34 HA TYR 5 HA TYR 5 16.300 1.268 -1.407 35 1HB TYR 5 1HB TYR 5 15.969 0.641 -3.975 36 2HB TYR 5 2HB TYR 5 17.412 -0.326 -3.677 37 HD1 TYR 5 HD1 TYR 5 13.963 0.344 -2.420 38 HD2 TYR 5 HD2 TYR 5 17.287 -2.376 -2.493 39 HE1 TYR 5 HE1 TYR 5 12.578 -1.378 -1.294 40 HE2 TYR 5 HE2 TYR 5 15.902 -4.098 -1.367 41 HH TYR 5 HH TYR 5 12.513 -3.432 -0.465 42 H TYR 6 H TYR 6 19.377 2.087 -2.587 43 HA TYR 6 HA TYR 6 20.906 -0.128 -1.564 44 1HB TYR 6 1HB TYR 6 21.490 2.021 -3.120 45 2HB TYR 6 2HB TYR 6 22.176 2.547 -1.582 46 HD1 TYR 6 HD1 TYR 6 22.034 -0.484 -3.794 47 HD2 TYR 6 HD2 TYR 6 24.327 1.853 -1.013 48 HE1 TYR 6 HE1 TYR 6 23.984 -1.973 -4.151 49 HE2 TYR 6 HE2 TYR 6 26.278 0.363 -1.371 50 HH TYR 6 HH TYR 6 26.051 -2.488 -3.492 51 H LEU 7 H LEU 7 20.251 3.122 -0.203 52 HA LEU 7 HA LEU 7 21.605 2.604 2.277 53 1HB LEU 7 1HB LEU 7 20.270 4.781 1.072 54 2HB LEU 7 2HB LEU 7 19.438 4.484 2.600 55 HG LEU 7 HG LEU 7 22.379 4.329 2.771 56 1HD1 LEU 7 1HD1 LEU 7 20.977 6.745 1.717 57 2HD1 LEU 7 2HD1 LEU 7 22.231 6.999 2.930 58 3HD1 LEU 7 3HD1 LEU 7 22.620 6.180 1.418 59 1HD2 LEU 7 1HD2 LEU 7 20.834 4.253 4.714 60 2HD2 LEU 7 2HD2 LEU 7 21.937 5.625 4.815 61 3HD2 LEU 7 3HD2 LEU 7 20.265 5.873 4.311 62 H SER 8 H SER 8 18.196 2.288 1.298 63 HA SER 8 HA SER 8 17.041 1.708 3.788 64 1HB SER 8 1HB SER 8 16.142 1.663 1.210 65 2HB SER 8 2HB SER 8 16.165 -0.058 1.582 66 HG SER 8 HG SER 8 15.108 0.777 3.655 67 H ASP 9 H ASP 9 19.073 -0.327 1.758 68 HA ASP 9 HA ASP 9 18.557 -2.760 3.269 69 1HB ASP 9 1HB ASP 9 20.449 -1.920 1.107 70 2HB ASP 9 2HB ASP 9 20.826 -3.373 2.033 71 H ILE 10 H ILE 10 20.932 -0.158 3.392 72 HA ILE 10 HA ILE 10 22.843 -1.403 5.084 73 HB ILE 10 HB ILE 10 22.009 1.489 4.776 74 1HG1 ILE 10 1HG1 ILE 10 23.132 0.284 2.868 75 2HG1 ILE 10 2HG1 ILE 10 24.055 1.655 3.485 76 1HG2 ILE 10 1HG2 ILE 10 23.909 0.194 6.669 77 2HG2 ILE 10 2HG2 ILE 10 24.460 1.666 5.869 78 3HG2 ILE 10 3HG2 ILE 10 22.991 1.689 6.844 79 1HD1 ILE 10 1HD1 ILE 10 25.280 -0.013 4.980 80 2HD1 ILE 10 2HD1 ILE 10 24.525 -1.285 4.020 81 3HD1 ILE 10 3HD1 ILE 10 25.623 -0.136 3.255 82 H THR 11 H THR 11 19.621 -0.385 5.772 83 HA THR 11 HA THR 11 20.132 -0.156 8.665 84 HB THR 11 HB THR 11 17.904 0.614 8.867 85 HG1 THR 11 HG1 THR 11 16.565 0.357 6.829 86 1HG2 THR 11 1HG2 THR 11 19.383 2.151 7.601 87 2HG2 THR 11 2HG2 THR 11 18.814 1.431 6.095 88 3HG2 THR 11 3HG2 THR 11 17.693 2.318 7.127 89 H ASP 12 H ASP 12 17.918 -2.143 6.651 90 HA ASP 12 HA ASP 12 17.223 -3.960 8.719 91 1HB ASP 12 1HB ASP 12 16.448 -3.601 6.130 92 2HB ASP 12 2HB ASP 12 17.388 -5.088 5.993 93 H ALA 13 H ALA 13 19.825 -4.143 6.303 94 HA ALA 13 HA ALA 13 20.871 -6.553 7.674 95 1HB ALA 13 1HB ALA 13 20.582 -6.576 5.165 96 2HB ALA 13 2HB ALA 13 21.819 -5.322 5.071 97 3HB ALA 13 3HB ALA 13 22.226 -6.916 5.704 98 H PHE 14 H PHE 14 21.069 -4.174 9.057 99 HA PHE 14 HA PHE 14 23.136 -2.429 8.898 100 1HB PHE 14 1HB PHE 14 21.594 -2.919 10.904 101 2HB PHE 14 2HB PHE 14 22.818 -4.082 11.407 102 HD1 PHE 14 HD1 PHE 14 24.620 -1.662 9.696 103 HD2 PHE 14 HD2 PHE 14 22.467 -2.190 13.378 104 HE1 PHE 14 HE1 PHE 14 25.930 0.172 10.729 105 HE2 PHE 14 HE2 PHE 14 23.779 -0.357 14.407 106 HZ PHE 14 HZ PHE 14 25.510 0.824 13.084 107 H SER 15 H SER 15 23.466 -5.875 9.542 108 HA SER 15 HA SER 15 25.426 -7.184 9.886 109 1HB SER 15 1HB SER 15 25.506 -7.508 7.632 110 2HB SER 15 2HB SER 15 25.435 -5.784 7.280 111 HG SER 15 HG SER 15 27.488 -6.177 6.841 112 HA PRO 16 HA PRO 16 28.262 -4.160 11.812 113 1HB PRO 16 1HB PRO 16 28.300 -5.416 14.234 114 2HB PRO 16 2HB PRO 16 27.047 -4.253 13.769 115 1HG PRO 16 1HG PRO 16 26.827 -7.137 14.149 116 2HG PRO 16 2HG PRO 16 25.546 -5.925 14.001 117 1HD PRO 16 1HD PRO 16 26.566 -7.740 11.969 118 2HD PRO 16 2HD PRO 16 25.157 -6.670 11.893 119 H GLN 17 H GLN 17 28.434 -7.576 12.887 120 HA GLN 17 HA GLN 17 31.261 -7.718 12.999 121 1HB GLN 17 1HB GLN 17 29.139 -9.488 13.406 122 2HB GLN 17 2HB GLN 17 30.047 -10.210 12.077 123 1HG GLN 17 1HG GLN 17 32.120 -10.061 13.399 124 2HG GLN 17 2HG GLN 17 31.225 -9.321 14.727 125 1HE2 GLN 17 2HE2 GLN 17 32.662 -11.951 14.725 126 2HE2 GLN 17 1HE2 GLN 17 31.489 -13.113 15.116 127 H VAL 18 H VAL 18 29.066 -8.685 10.377 128 HA VAL 18 HA VAL 18 31.087 -9.344 8.466 129 HB VAL 18 HB VAL 18 28.254 -8.362 8.128 130 1HG1 VAL 18 1HG1 VAL 18 30.376 -8.742 6.187 131 2HG1 VAL 18 2HG1 VAL 18 29.045 -9.857 5.881 132 3HG1 VAL 18 3HG1 VAL 18 28.744 -8.120 5.938 133 1HG2 VAL 18 1HG2 VAL 18 29.553 -10.961 8.644 134 2HG2 VAL 18 2HG2 VAL 18 27.892 -10.456 8.953 135 3HG2 VAL 18 3HG2 VAL 18 28.366 -10.990 7.340 136 H LEU 19 H LEU 19 29.833 -6.300 9.585 137 HA LEU 19 HA LEU 19 30.446 -4.628 7.372 138 1HB LEU 19 1HB LEU 19 29.313 -3.970 9.581 139 2HB LEU 19 2HB LEU 19 30.933 -3.858 10.260 140 HG LEU 19 HG LEU 19 31.312 -2.404 8.029 141 1HD1 LEU 19 1HD1 LEU 19 28.387 -2.076 8.760 142 2HD1 LEU 19 2HD1 LEU 19 29.284 -0.956 7.734 143 3HD1 LEU 19 3HD1 LEU 19 29.033 -2.622 7.212 144 1HD2 LEU 19 1HD2 LEU 19 30.436 -1.753 10.802 145 2HD2 LEU 19 2HD2 LEU 19 31.905 -1.279 9.947 146 3HD2 LEU 19 3HD2 LEU 19 30.389 -0.437 9.629 147 H ALA 20 H ALA 20 32.490 -5.306 10.228 148 HA ALA 20 HA ALA 20 34.860 -4.090 9.337 149 1HB ALA 20 1HB ALA 20 34.146 -6.226 11.243 150 2HB ALA 20 2HB ALA 20 35.790 -6.339 10.613 151 3HB ALA 20 3HB ALA 20 35.261 -4.873 11.439 152 H ALA 21 H ALA 21 33.890 -7.489 8.935 153 HA ALA 21 HA ALA 21 35.975 -8.494 7.416 154 1HB ALA 21 1HB ALA 21 33.568 -9.453 8.106 155 2HB ALA 21 2HB ALA 21 33.216 -9.059 6.424 156 3HB ALA 21 3HB ALA 21 34.517 -10.185 6.812 157 H VAL 22 H VAL 22 33.135 -6.830 6.139 158 HA VAL 22 HA VAL 22 33.730 -6.782 3.421 159 HB VAL 22 HB VAL 22 32.379 -4.712 5.169 160 1HG1 VAL 22 1HG1 VAL 22 32.837 -4.772 2.186 161 2HG1 VAL 22 2HG1 VAL 22 31.431 -3.961 2.876 162 3HG1 VAL 22 3HG1 VAL 22 33.056 -3.427 3.306 163 1HG2 VAL 22 1HG2 VAL 22 31.574 -7.115 3.601 164 2HG2 VAL 22 2HG2 VAL 22 30.904 -6.474 5.101 165 3HG2 VAL 22 3HG2 VAL 22 30.475 -5.737 3.557 166 H ILE 23 H ILE 23 34.728 -4.337 5.845 167 HA ILE 23 HA ILE 23 36.261 -2.793 3.966 168 HB ILE 23 HB ILE 23 36.696 -2.991 6.960 169 1HG1 ILE 23 1HG1 ILE 23 35.089 -0.751 5.976 170 2HG1 ILE 23 2HG1 ILE 23 34.322 -2.309 5.668 171 1HG2 ILE 23 1HG2 ILE 23 37.437 -1.031 4.800 172 2HG2 ILE 23 2HG2 ILE 23 37.250 -0.485 6.466 173 3HG2 ILE 23 3HG2 ILE 23 38.451 -1.714 6.070 174 1HD1 ILE 23 1HD1 ILE 23 35.370 -2.488 8.277 175 2HD1 ILE 23 2HD1 ILE 23 34.617 -0.896 8.176 176 3HD1 ILE 23 3HD1 ILE 23 33.672 -2.343 7.822 177 H PHE 24 H PHE 24 36.973 -5.669 5.821 178 HA PHE 24 HA PHE 24 39.799 -5.592 5.839 179 1HB PHE 24 1HB PHE 24 38.057 -7.399 6.714 180 2HB PHE 24 2HB PHE 24 38.389 -8.152 5.157 181 HD1 PHE 24 HD1 PHE 24 40.127 -6.708 8.145 182 HD2 PHE 24 HD2 PHE 24 40.290 -9.484 4.872 183 HE1 PHE 24 HE1 PHE 24 42.253 -7.627 9.031 184 HE2 PHE 24 HE2 PHE 24 42.416 -10.403 5.755 185 HZ PHE 24 HZ PHE 24 43.399 -9.474 7.836 186 H ILE 25 H ILE 25 37.547 -6.615 3.287 187 HA ILE 25 HA ILE 25 39.693 -7.302 1.439 188 HB ILE 25 HB ILE 25 36.777 -6.689 0.853 189 1HG1 ILE 25 1HG1 ILE 25 37.320 -9.459 0.719 190 2HG1 ILE 25 2HG1 ILE 25 38.051 -8.897 2.223 191 1HG2 ILE 25 1HG2 ILE 25 38.871 -6.947 -0.910 192 2HG2 ILE 25 2HG2 ILE 25 38.287 -8.608 -0.801 193 3HG2 ILE 25 3HG2 ILE 25 37.190 -7.317 -1.294 194 1HD1 ILE 25 1HD1 ILE 25 35.798 -7.635 2.573 195 2HD1 ILE 25 2HD1 ILE 25 35.170 -8.751 1.361 196 3HD1 ILE 25 3HD1 ILE 25 35.842 -9.373 2.868 197 H TYR 26 H TYR 26 37.517 -4.471 1.845 198 HA TYR 26 HA TYR 26 38.493 -2.991 -0.389 199 1HB TYR 26 1HB TYR 26 36.684 -2.517 1.677 200 2HB TYR 26 2HB TYR 26 37.961 -1.336 1.971 201 HD1 TYR 26 HD1 TYR 26 36.389 -2.815 -1.102 202 HD2 TYR 26 HD2 TYR 26 37.467 0.744 1.047 203 HE1 TYR 26 HE1 TYR 26 35.542 -1.428 -2.975 204 HE2 TYR 26 HE2 TYR 26 36.620 2.132 -0.826 205 HH TYR 26 HH TYR 26 34.688 1.542 -2.823 206 H PHE 27 H PHE 27 39.933 -3.874 2.582 207 HA PHE 27 HA PHE 27 42.019 -1.796 2.483 208 1HB PHE 27 1HB PHE 27 40.832 -3.110 4.553 209 2HB PHE 27 2HB PHE 27 42.259 -4.118 4.316 210 HD1 PHE 27 HD1 PHE 27 43.802 -1.566 3.103 211 HD2 PHE 27 HD2 PHE 27 41.751 -2.422 6.779 212 HE1 PHE 27 HE1 PHE 27 45.192 0.123 4.270 213 HE2 PHE 27 HE2 PHE 27 43.142 -0.734 7.947 214 HZ PHE 27 HZ PHE 27 44.862 0.539 6.693 215 H ALA 28 H ALA 28 41.528 -5.211 1.902 216 HA ALA 28 HA ALA 28 44.322 -5.836 1.433 217 1HB ALA 28 1HB ALA 28 41.791 -7.238 1.559 218 2HB ALA 28 2HB ALA 28 42.713 -7.757 0.149 219 3HB ALA 28 3HB ALA 28 43.422 -7.877 1.759 220 H ALA 29 H ALA 29 41.582 -6.051 -0.849 221 HA ALA 29 HA ALA 29 43.153 -6.070 -3.198 222 1HB ALA 29 1HB ALA 29 40.345 -5.832 -2.504 223 2HB ALA 29 2HB ALA 29 40.746 -4.807 -3.883 224 3HB ALA 29 3HB ALA 29 41.080 -6.538 -3.943 225 H LEU 30 H LEU 30 41.335 -3.305 -1.845 226 HA LEU 30 HA LEU 30 42.761 -1.471 -3.632 227 1HB LEU 30 1HB LEU 30 40.545 -1.205 -1.627 228 2HB LEU 30 2HB LEU 30 41.391 0.238 -2.185 229 HG LEU 30 HG LEU 30 40.865 -0.296 -4.503 230 1HD1 LEU 30 1HD1 LEU 30 39.685 -2.805 -3.287 231 2HD1 LEU 30 2HD1 LEU 30 39.302 -2.264 -4.922 232 3HD1 LEU 30 3HD1 LEU 30 40.960 -2.692 -4.500 233 1HD2 LEU 30 1HD2 LEU 30 38.788 -0.007 -2.433 234 2HD2 LEU 30 2HD2 LEU 30 39.028 0.912 -3.920 235 3HD2 LEU 30 3HD2 LEU 30 38.185 -0.637 -3.966 236 H SER 31 H SER 31 44.224 -2.946 -1.423 237 HA SER 31 HA SER 31 44.902 -1.059 0.623 238 1HB SER 31 1HB SER 31 45.445 -3.687 0.237 239 2HB SER 31 2HB SER 31 46.990 -2.980 -0.227 240 HG SER 31 HG SER 31 46.465 -3.496 2.123 241 HA PRO 32 HA PRO 32 48.525 0.144 -2.314 242 1HB PRO 32 1HB PRO 32 48.811 -1.287 -4.619 243 2HB PRO 32 2HB PRO 32 49.470 -1.813 -3.061 244 1HG PRO 32 1HG PRO 32 47.280 -2.958 -4.603 245 2HG PRO 32 2HG PRO 32 48.133 -3.628 -3.204 246 1HD PRO 32 1HD PRO 32 45.554 -2.264 -3.287 247 2HD PRO 32 2HD PRO 32 46.293 -3.161 -1.948 248 H ALA 33 H ALA 33 45.336 -0.142 -3.409 249 HA ALA 33 HA ALA 33 45.729 1.371 -5.896 250 1HB ALA 33 1HB ALA 33 43.529 -0.068 -4.584 251 2HB ALA 33 2HB ALA 33 43.025 1.426 -5.373 252 3HB ALA 33 3HB ALA 33 43.848 0.172 -6.301 253 H ILE 34 H ILE 34 44.902 1.977 -2.561 254 HA ILE 34 HA ILE 34 43.741 4.583 -2.922 255 HB ILE 34 HB ILE 34 44.004 4.836 -0.545 256 1HG1 ILE 34 1HG1 ILE 34 45.919 2.483 -0.639 257 2HG1 ILE 34 2HG1 ILE 34 46.436 4.166 -0.548 258 1HG2 ILE 34 1HG2 ILE 34 43.243 2.197 -1.659 259 2HG2 ILE 34 2HG2 ILE 34 43.532 2.228 0.080 260 3HG2 ILE 34 3HG2 ILE 34 42.320 3.293 -0.631 261 1HD1 ILE 34 1HD1 ILE 34 44.483 3.871 1.459 262 2HD1 ILE 34 2HD1 ILE 34 45.501 2.436 1.577 263 3HD1 ILE 34 3HD1 ILE 34 46.223 4.042 1.689 264 H THR 35 H THR 35 47.072 3.449 -2.523 265 HA THR 35 HA THR 35 48.087 6.206 -2.409 266 HB THR 35 HB THR 35 49.191 4.409 -1.104 267 HG1 THR 35 HG1 THR 35 50.736 5.787 -1.466 268 1HG2 THR 35 1HG2 THR 35 48.810 2.926 -3.432 269 2HG2 THR 35 2HG2 THR 35 50.552 3.193 -3.372 270 3HG2 THR 35 3HG2 THR 35 49.731 2.421 -2.015 271 H PHE 36 H PHE 36 46.726 4.725 -4.835 272 HA PHE 36 HA PHE 36 48.862 5.025 -6.843 273 1HB PHE 36 1HB PHE 36 47.684 3.372 -7.830 274 2HB PHE 36 2HB PHE 36 46.400 3.533 -6.639 275 HD1 PHE 36 HD1 PHE 36 44.747 5.547 -7.003 276 HD2 PHE 36 HD2 PHE 36 47.248 3.882 -10.072 277 HE1 PHE 36 HE1 PHE 36 43.261 6.515 -8.736 278 HE2 PHE 36 HE2 PHE 36 45.763 4.850 -11.808 279 HZ PHE 36 HZ PHE 36 43.768 6.166 -11.139 280 H GLY 37 H GLY 37 46.531 6.972 -5.359 281 1HA GLY 37 1HA GLY 37 46.233 9.307 -5.772 282 2HA GLY 37 2HA GLY 37 47.020 9.103 -7.338 283 H GLY 38 H GLY 38 43.976 8.755 -5.602 284 1HA GLY 38 1HA GLY 38 42.570 8.877 -8.216 285 2HA GLY 38 2HA GLY 38 42.150 7.568 -7.111 286 H LEU 39 H LEU 39 43.071 10.649 -5.803 287 HA LEU 39 HA LEU 39 40.431 10.904 -4.558 288 1HB LEU 39 1HB LEU 39 41.891 13.321 -4.179 289 2HB LEU 39 2HB LEU 39 41.581 12.054 -3.001 290 HG LEU 39 HG LEU 39 43.886 12.032 -4.970 291 1HD1 LEU 39 1HD1 LEU 39 43.542 13.188 -2.258 292 2HD1 LEU 39 2HD1 LEU 39 45.026 12.275 -2.530 293 3HD1 LEU 39 3HD1 LEU 39 44.643 13.660 -3.552 294 1HD2 LEU 39 1HD2 LEU 39 42.695 9.956 -3.543 295 2HD2 LEU 39 2HD2 LEU 39 44.332 9.946 -4.201 296 3HD2 LEU 39 3HD2 LEU 39 44.057 10.430 -2.527 297 H LEU 40 H LEU 40 42.323 13.363 -6.335 298 HA LEU 40 HA LEU 40 39.746 14.306 -7.506 299 1HB LEU 40 1HB LEU 40 42.406 15.750 -7.333 300 2HB LEU 40 2HB LEU 40 40.866 16.442 -7.848 301 HG LEU 40 HG LEU 40 40.745 15.108 -5.231 302 1HD1 LEU 40 1HD1 LEU 40 43.067 16.114 -5.238 303 2HD1 LEU 40 2HD1 LEU 40 42.311 17.691 -5.466 304 3HD1 LEU 40 3HD1 LEU 40 41.991 16.763 -4.001 305 1HD2 LEU 40 1HD2 LEU 40 39.750 17.565 -6.599 306 2HD2 LEU 40 2HD2 LEU 40 38.869 16.382 -5.630 307 3HD2 LEU 40 3HD2 LEU 40 39.855 17.612 -4.839 308 H GLY 41 H GLY 41 43.197 14.033 -8.468 309 1HA GLY 41 1HA GLY 41 42.340 12.854 -11.037 310 2HA GLY 41 2HA GLY 41 43.179 14.402 -11.138 311 H GLU 42 H GLU 42 45.231 13.961 -11.813 312 HA GLU 42 HA GLU 42 46.590 11.502 -10.946 313 1HB GLU 42 1HB GLU 42 46.946 13.517 -13.054 314 2HB GLU 42 2HB GLU 42 48.462 12.995 -12.320 315 1HG GLU 42 1HG GLU 42 48.313 11.250 -13.770 316 2HG GLU 42 2HG GLU 42 47.152 10.606 -12.609 317 H LYS 43 H LYS 43 47.910 14.813 -11.125 318 HA LYS 43 HA LYS 43 49.477 15.831 -9.686 319 1HB LYS 43 1HB LYS 43 48.399 15.390 -7.159 320 2HB LYS 43 2HB LYS 43 47.993 16.725 -8.232 321 1HG LYS 43 1HG LYS 43 46.268 15.128 -9.288 322 2HG LYS 43 2HG LYS 43 46.526 14.110 -7.871 323 1HD LYS 43 1HD LYS 43 45.040 15.394 -6.768 324 2HD LYS 43 2HD LYS 43 46.200 16.720 -6.868 325 1HE LYS 43 1HE LYS 43 44.287 16.071 -9.119 326 2HE LYS 43 2HE LYS 43 43.877 17.196 -7.824 327 1HZ LYS 43 1HZ LYS 43 46.113 18.277 -8.419 328 2HZ LYS 43 2HZ LYS 43 45.968 17.432 -9.886 329 3HZ LYS 43 3HZ LYS 43 44.781 18.557 -9.437 Start of MODEL 10 1 1H ACE 1 HA1 ACE 1 24.612 -14.267 6.394 2 2H ACE 1 HA2 ACE 1 25.845 -15.470 6.020 3 3H ACE 1 HA3 ACE 1 24.197 -15.686 5.431 4 H ARG 2 H ARG 2 23.432 -14.145 3.783 5 HA ARG 2 HA ARG 2 25.631 -13.385 1.958 6 1HB ARG 2 1HB ARG 2 22.892 -14.227 1.661 7 2HB ARG 2 2HB ARG 2 23.115 -12.671 0.862 8 1HG ARG 2 1HG ARG 2 25.225 -14.740 0.449 9 2HG ARG 2 2HG ARG 2 23.683 -14.974 -0.376 10 1HD ARG 2 1HD ARG 2 24.274 -13.446 -1.918 11 2HD ARG 2 2HD ARG 2 24.419 -12.227 -0.653 12 HE ARG 2 HE ARG 2 26.801 -13.305 -0.352 13 1HH1 ARG 2 1HH1 ARG 2 25.973 -14.809 -3.008 14 2HH1 ARG 2 2HH1 ARG 2 26.944 -13.926 -4.137 15 1HH2 ARG 2 1HH2 ARG 2 27.659 -11.357 -1.919 16 2HH2 ARG 2 2HH2 ARG 2 27.902 -11.973 -3.519 17 H TYR 3 H TYR 3 25.844 -11.232 1.129 18 HA TYR 3 HA TYR 3 25.963 -8.905 1.424 19 1HB TYR 3 1HB TYR 3 23.139 -9.700 1.475 20 2HB TYR 3 2HB TYR 3 23.444 -8.170 2.299 21 HD1 TYR 3 HD1 TYR 3 25.319 -9.635 -0.570 22 HD2 TYR 3 HD2 TYR 3 22.621 -6.569 0.758 23 HE1 TYR 3 HE1 TYR 3 25.539 -8.493 -2.761 24 HE2 TYR 3 HE2 TYR 3 22.840 -5.427 -1.432 25 HH TYR 3 HH TYR 3 25.146 -5.754 -3.453 26 HA PRO 4 HA PRO 4 26.277 -9.257 6.053 27 1HB PRO 4 1HB PRO 4 28.981 -9.591 6.175 28 2HB PRO 4 2HB PRO 4 27.843 -10.942 6.035 29 1HG PRO 4 1HG PRO 4 29.714 -9.881 4.050 30 2HG PRO 4 2HG PRO 4 28.878 -11.441 4.087 31 1HD PRO 4 1HD PRO 4 28.199 -9.096 2.550 32 2HD PRO 4 2HD PRO 4 27.402 -10.679 2.548 33 H TYR 5 H TYR 5 29.409 -8.119 4.946 34 HA TYR 5 HA TYR 5 29.149 -5.616 6.348 35 1HB TYR 5 1HB TYR 5 31.120 -6.213 4.132 36 2HB TYR 5 2HB TYR 5 31.326 -5.115 5.497 37 HD1 TYR 5 HD1 TYR 5 30.896 -6.322 7.884 38 HD2 TYR 5 HD2 TYR 5 32.182 -8.276 4.281 39 HE1 TYR 5 HE1 TYR 5 31.850 -8.175 9.229 40 HE2 TYR 5 HE2 TYR 5 33.136 -10.128 5.626 41 HH TYR 5 HH TYR 5 32.817 -11.130 7.861 42 H TYR 6 H TYR 6 28.252 -6.652 3.179 43 HA TYR 6 HA TYR 6 28.363 -4.136 1.809 44 1HB TYR 6 1HB TYR 6 27.833 -6.687 1.055 45 2HB TYR 6 2HB TYR 6 26.197 -6.030 1.087 46 HD1 TYR 6 HD1 TYR 6 25.700 -3.908 -0.224 47 HD2 TYR 6 HD2 TYR 6 29.343 -6.136 -0.694 48 HE1 TYR 6 HE1 TYR 6 26.106 -2.786 -2.398 49 HE2 TYR 6 HE2 TYR 6 29.749 -5.013 -2.868 50 HH TYR 6 HH TYR 6 27.335 -2.882 -4.312 51 H LEU 7 H LEU 7 25.464 -5.836 3.044 52 HA LEU 7 HA LEU 7 23.730 -3.593 2.764 53 1HB LEU 7 1HB LEU 7 23.055 -6.012 3.062 54 2HB LEU 7 2HB LEU 7 23.431 -5.834 4.776 55 HG LEU 7 HG LEU 7 21.536 -3.968 3.339 56 1HD1 LEU 7 1HD1 LEU 7 20.883 -6.497 4.885 57 2HD1 LEU 7 2HD1 LEU 7 19.704 -5.331 4.284 58 3HD1 LEU 7 3HD1 LEU 7 20.673 -6.270 3.149 59 1HD2 LEU 7 1HD2 LEU 7 22.422 -4.477 6.148 60 2HD2 LEU 7 2HD2 LEU 7 22.039 -2.951 5.351 61 3HD2 LEU 7 3HD2 LEU 7 20.740 -4.011 5.895 62 H SER 8 H SER 8 25.241 -4.879 5.756 63 HA SER 8 HA SER 8 24.303 -2.877 7.501 64 1HB SER 8 1HB SER 8 26.415 -4.893 7.532 65 2HB SER 8 2HB SER 8 26.841 -3.456 8.457 66 HG SER 8 HG SER 8 25.453 -4.062 9.903 67 H ASP 9 H ASP 9 26.554 -2.533 4.936 68 HA ASP 9 HA ASP 9 27.887 -0.206 6.152 69 1HB ASP 9 1HB ASP 9 28.328 -1.949 3.827 70 2HB ASP 9 2HB ASP 9 28.668 -0.248 3.519 71 H ILE 10 H ILE 10 25.733 -0.851 3.374 72 HA ILE 10 HA ILE 10 25.524 1.911 2.599 73 HB ILE 10 HB ILE 10 23.505 -0.291 2.105 74 1HG1 ILE 10 1HG1 ILE 10 25.870 0.485 0.374 75 2HG1 ILE 10 2HG1 ILE 10 25.901 -0.878 1.494 76 1HG2 ILE 10 1HG2 ILE 10 24.093 2.405 0.909 77 2HG2 ILE 10 2HG2 ILE 10 23.352 1.145 -0.078 78 3HG2 ILE 10 3HG2 ILE 10 22.540 1.716 1.380 79 1HD1 ILE 10 1HD1 ILE 10 23.798 -0.558 -0.660 80 2HD1 ILE 10 2HD1 ILE 10 25.283 -1.482 -0.889 81 3HD1 ILE 10 3HD1 ILE 10 24.111 -1.985 0.329 82 H THR 11 H THR 11 24.338 0.386 5.351 83 HA THR 11 HA THR 11 21.833 1.917 5.448 84 HB THR 11 HB THR 11 21.689 -0.240 6.453 85 HG1 THR 11 HG1 THR 11 20.596 0.708 7.946 86 1HG2 THR 11 1HG2 THR 11 24.401 0.216 7.144 87 2HG2 THR 11 2HG2 THR 11 23.527 -0.024 8.654 88 3HG2 THR 11 3HG2 THR 11 23.458 -1.249 7.390 89 H ASP 12 H ASP 12 24.931 1.943 7.260 90 HA ASP 12 HA ASP 12 24.081 4.429 8.593 91 1HB ASP 12 1HB ASP 12 26.076 2.354 9.065 92 2HB ASP 12 2HB ASP 12 26.750 3.974 9.244 93 H ALA 13 H ALA 13 26.045 3.390 5.932 94 HA ALA 13 HA ALA 13 27.183 6.121 5.658 95 1HB ALA 13 1HB ALA 13 28.524 3.798 5.543 96 2HB ALA 13 2HB ALA 13 28.023 3.901 3.855 97 3HB ALA 13 3HB ALA 13 28.989 5.193 4.569 98 H PHE 14 H PHE 14 24.446 5.744 5.064 99 HA PHE 14 HA PHE 14 23.791 5.098 2.414 100 1HB PHE 14 1HB PHE 14 22.301 5.946 4.416 101 2HB PHE 14 2HB PHE 14 22.566 7.527 3.682 102 HD1 PHE 14 HD1 PHE 14 21.954 4.058 2.377 103 HD2 PHE 14 HD2 PHE 14 20.799 8.195 2.324 104 HE1 PHE 14 HE1 PHE 14 20.218 3.550 0.680 105 HE2 PHE 14 HE2 PHE 14 19.063 7.688 0.625 106 HZ PHE 14 HZ PHE 14 18.773 5.365 -0.196 107 H SER 15 H SER 15 24.520 8.358 3.635 108 HA SER 15 HA SER 15 24.927 10.312 2.251 109 1HB SER 15 1HB SER 15 27.085 10.384 2.851 110 2HB SER 15 2HB SER 15 27.122 8.631 2.996 111 HG SER 15 HG SER 15 28.506 8.933 1.392 112 HA PRO 16 HA PRO 16 24.184 9.035 -2.038 113 1HB PRO 16 1HB PRO 16 22.447 11.074 -2.547 114 2HB PRO 16 2HB PRO 16 21.962 9.574 -1.739 115 1HG PRO 16 1HG PRO 16 22.196 12.266 -0.636 116 2HG PRO 16 2HG PRO 16 21.411 10.836 0.053 117 1HD PRO 16 1HD PRO 16 24.035 11.932 0.661 118 2HD PRO 16 2HD PRO 16 23.163 10.626 1.476 119 H GLN 17 H GLN 17 24.027 12.556 -1.432 120 HA GLN 17 HA GLN 17 25.426 13.308 -3.779 121 1HB GLN 17 1HB GLN 17 24.138 14.806 -2.114 122 2HB GLN 17 2HB GLN 17 25.637 14.840 -1.183 123 1HG GLN 17 1HG GLN 17 26.732 15.485 -3.477 124 2HG GLN 17 2HG GLN 17 25.090 15.947 -3.924 125 1HE2 GLN 17 2HE2 GLN 17 27.360 17.799 -3.506 126 2HE2 GLN 17 1HE2 GLN 17 26.912 18.825 -2.229 127 H VAL 18 H VAL 18 26.616 12.734 -0.492 128 HA VAL 18 HA VAL 18 29.397 13.194 -1.104 129 HB VAL 18 HB VAL 18 27.990 11.649 1.079 130 1HG1 VAL 18 1HG1 VAL 18 30.286 10.743 0.592 131 2HG1 VAL 18 2HG1 VAL 18 30.934 12.351 0.919 132 3HG1 VAL 18 3HG1 VAL 18 30.132 11.446 2.202 133 1HG2 VAL 18 1HG2 VAL 18 28.783 14.426 0.626 134 2HG2 VAL 18 2HG2 VAL 18 27.689 13.760 1.840 135 3HG2 VAL 18 3HG2 VAL 18 29.427 13.788 2.139 136 H LEU 19 H LEU 19 27.232 10.457 -1.504 137 HA LEU 19 HA LEU 19 29.101 8.347 -1.677 138 1HB LEU 19 1HB LEU 19 26.434 8.519 -2.160 139 2HB LEU 19 2HB LEU 19 27.031 8.446 -3.814 140 HG LEU 19 HG LEU 19 28.480 6.457 -2.950 141 1HD1 LEU 19 1HD1 LEU 19 27.556 7.102 -0.537 142 2HD1 LEU 19 2HD1 LEU 19 26.225 6.053 -1.025 143 3HD1 LEU 19 3HD1 LEU 19 27.871 5.422 -0.970 144 1HD2 LEU 19 1HD2 LEU 19 26.605 6.269 -4.559 145 2HD2 LEU 19 2HD2 LEU 19 26.634 4.899 -3.449 146 3HD2 LEU 19 3HD2 LEU 19 25.466 6.201 -3.215 147 H ALA 20 H ALA 20 28.142 10.725 -4.141 148 HA ALA 20 HA ALA 20 29.854 9.705 -6.216 149 1HB ALA 20 1HB ALA 20 28.365 12.242 -5.692 150 2HB ALA 20 2HB ALA 20 29.641 12.281 -6.908 151 3HB ALA 20 3HB ALA 20 28.286 11.167 -7.088 152 H ALA 21 H ALA 21 30.245 12.430 -3.972 153 HA ALA 21 HA ALA 21 32.847 13.223 -4.755 154 1HB ALA 21 1HB ALA 21 31.117 13.509 -2.366 155 2HB ALA 21 2HB ALA 21 32.844 13.676 -2.047 156 3HB ALA 21 3HB ALA 21 32.057 14.734 -3.219 157 H VAL 22 H VAL 22 32.067 11.294 -1.907 158 HA VAL 22 HA VAL 22 34.610 10.377 -1.250 159 HB VAL 22 HB VAL 22 31.935 8.972 -0.975 160 1HG1 VAL 22 1HG1 VAL 22 34.581 7.985 -0.522 161 2HG1 VAL 22 2HG1 VAL 22 33.828 8.253 1.050 162 3HG1 VAL 22 3HG1 VAL 22 33.048 7.205 -0.135 163 1HG2 VAL 22 1HG2 VAL 22 32.200 11.212 0.128 164 2HG2 VAL 22 2HG2 VAL 22 31.973 9.897 1.280 165 3HG2 VAL 22 3HG2 VAL 22 33.581 10.569 1.016 166 H ILE 23 H ILE 23 32.404 9.092 -3.734 167 HA ILE 23 HA ILE 23 34.082 6.737 -4.182 168 HB ILE 23 HB ILE 23 31.787 7.961 -5.739 169 1HG1 ILE 23 1HG1 ILE 23 31.931 5.334 -4.238 170 2HG1 ILE 23 2HG1 ILE 23 31.405 6.833 -3.473 171 1HG2 ILE 23 1HG2 ILE 23 33.535 5.571 -6.304 172 2HG2 ILE 23 2HG2 ILE 23 31.861 5.610 -6.858 173 3HG2 ILE 23 3HG2 ILE 23 33.003 6.835 -7.413 174 1HD1 ILE 23 1HD1 ILE 23 30.130 6.132 -6.073 175 2HD1 ILE 23 2HD1 ILE 23 29.679 5.156 -4.674 176 3HD1 ILE 23 3HD1 ILE 23 29.431 6.902 -4.648 177 H PHE 24 H PHE 24 33.916 9.980 -5.392 178 HA PHE 24 HA PHE 24 35.292 9.680 -7.858 179 1HB PHE 24 1HB PHE 24 34.202 11.802 -6.834 180 2HB PHE 24 2HB PHE 24 35.716 12.006 -5.961 181 HD1 PHE 24 HD1 PHE 24 36.818 10.399 -8.754 182 HD2 PHE 24 HD2 PHE 24 35.088 14.178 -7.662 183 HE1 PHE 24 HE1 PHE 24 37.839 11.446 -10.756 184 HE2 PHE 24 HE2 PHE 24 36.110 15.222 -9.664 185 HZ PHE 24 HZ PHE 24 37.484 13.857 -11.212 186 H ILE 25 H ILE 25 36.584 10.423 -4.607 187 HA ILE 25 HA ILE 25 39.343 10.064 -5.439 188 HB ILE 25 HB ILE 25 38.100 9.972 -2.662 189 1HG1 ILE 25 1HG1 ILE 25 39.351 12.323 -2.731 190 2HG1 ILE 25 2HG1 ILE 25 39.058 12.165 -4.463 191 1HG2 ILE 25 1HG2 ILE 25 40.514 8.996 -3.237 192 2HG2 ILE 25 2HG2 ILE 25 40.950 10.704 -3.202 193 3HG2 ILE 25 3HG2 ILE 25 40.239 9.947 -1.777 194 1HD1 ILE 25 1HD1 ILE 25 36.726 11.473 -2.818 195 2HD1 ILE 25 2HD1 ILE 25 37.241 13.151 -2.639 196 3HD1 ILE 25 3HD1 ILE 25 36.833 12.519 -4.234 197 H TYR 26 H TYR 26 36.842 7.964 -4.004 198 HA TYR 26 HA TYR 26 38.591 5.735 -3.504 199 1HB TYR 26 1HB TYR 26 35.904 6.268 -3.076 200 2HB TYR 26 2HB TYR 26 35.866 5.023 -4.327 201 HD1 TYR 26 HD1 TYR 26 37.066 2.849 -3.959 202 HD2 TYR 26 HD2 TYR 26 36.587 5.764 -0.841 203 HE1 TYR 26 HE1 TYR 26 37.618 1.126 -2.264 204 HE2 TYR 26 HE2 TYR 26 37.141 4.041 0.854 205 HH TYR 26 HH TYR 26 38.673 1.533 0.489 206 H PHE 27 H PHE 27 37.423 7.196 -6.330 207 HA PHE 27 HA PHE 27 37.700 4.815 -8.044 208 1HB PHE 27 1HB PHE 27 36.257 7.220 -8.160 209 2HB PHE 27 2HB PHE 27 37.519 7.400 -9.374 210 HD1 PHE 27 HD1 PHE 27 37.930 5.160 -10.823 211 HD2 PHE 27 HD2 PHE 27 34.269 6.207 -8.835 212 HE1 PHE 27 HE1 PHE 27 36.672 3.672 -12.356 213 HE2 PHE 27 HE2 PHE 27 33.011 4.718 -10.367 214 HZ PHE 27 HZ PHE 27 34.213 3.449 -12.127 215 H ALA 28 H ALA 28 39.398 7.629 -6.998 216 HA ALA 28 HA ALA 28 41.414 7.545 -9.105 217 1HB ALA 28 1HB ALA 28 40.660 9.303 -6.871 218 2HB ALA 28 2HB ALA 28 42.399 9.203 -7.144 219 3HB ALA 28 3HB ALA 28 41.329 9.715 -8.449 220 H ALA 29 H ALA 29 42.077 7.739 -5.633 221 HA ALA 29 HA ALA 29 44.399 5.971 -6.027 222 1HB ALA 29 1HB ALA 29 44.242 8.214 -4.666 223 2HB ALA 29 2HB ALA 29 43.672 7.151 -3.380 224 3HB ALA 29 3HB ALA 29 45.264 6.895 -4.094 225 H LEU 30 H LEU 30 41.772 6.091 -3.597 226 HA LEU 30 HA LEU 30 42.425 3.521 -2.507 227 1HB LEU 30 1HB LEU 30 39.809 5.029 -2.324 228 2HB LEU 30 2HB LEU 30 40.335 3.725 -1.262 229 HG LEU 30 HG LEU 30 42.056 6.165 -1.635 230 1HD1 LEU 30 1HD1 LEU 30 39.684 6.817 -0.966 231 2HD1 LEU 30 2HD1 LEU 30 39.941 5.889 0.512 232 3HD1 LEU 30 3HD1 LEU 30 40.951 7.293 0.165 233 1HD2 LEU 30 1HD2 LEU 30 41.759 3.912 0.329 234 2HD2 LEU 30 2HD2 LEU 30 43.219 4.529 -0.444 235 3HD2 LEU 30 3HD2 LEU 30 42.463 5.437 0.866 236 H SER 31 H SER 31 41.376 3.906 -5.549 237 HA SER 31 HA SER 31 39.096 2.408 -5.987 238 1HB SER 31 1HB SER 31 41.374 1.570 -7.669 239 2HB SER 31 2HB SER 31 39.808 2.225 -8.140 240 HG SER 31 HG SER 31 41.560 3.672 -8.541 241 HA PRO 32 HA PRO 32 41.549 -1.667 -5.205 242 1HB PRO 32 1HB PRO 32 44.235 -1.459 -4.771 243 2HB PRO 32 2HB PRO 32 43.514 -1.506 -6.388 244 1HG PRO 32 1HG PRO 32 44.826 0.714 -5.036 245 2HG PRO 32 2HG PRO 32 44.352 0.563 -6.736 246 1HD PRO 32 1HD PRO 32 42.968 1.951 -4.566 247 2HD PRO 32 2HD PRO 32 42.657 2.028 -6.310 248 H ALA 33 H ALA 33 42.096 1.053 -3.143 249 HA ALA 33 HA ALA 33 43.295 -0.044 -0.863 250 1HB ALA 33 1HB ALA 33 41.079 1.982 -1.169 251 2HB ALA 33 2HB ALA 33 41.738 1.558 0.411 252 3HB ALA 33 3HB ALA 33 42.783 2.272 -0.818 253 H ILE 34 H ILE 34 40.201 -0.755 -2.218 254 HA ILE 34 HA ILE 34 38.508 -1.575 -0.268 255 HB ILE 34 HB ILE 34 39.353 -3.328 -2.592 256 1HG1 ILE 34 1HG1 ILE 34 37.140 -1.263 -2.350 257 2HG1 ILE 34 2HG1 ILE 34 38.648 -1.032 -3.234 258 1HG2 ILE 34 1HG2 ILE 34 37.796 -4.094 -0.507 259 2HG2 ILE 34 2HG2 ILE 34 36.580 -3.343 -1.540 260 3HG2 ILE 34 3HG2 ILE 34 37.559 -4.675 -2.155 261 1HD1 ILE 34 1HD1 ILE 34 38.047 -3.104 -4.579 262 2HD1 ILE 34 2HD1 ILE 34 36.452 -3.028 -3.830 263 3HD1 ILE 34 3HD1 ILE 34 37.009 -1.705 -4.853 264 H THR 35 H THR 35 40.704 -4.117 -1.477 265 HA THR 35 HA THR 35 40.512 -5.591 0.998 266 HB THR 35 HB THR 35 40.967 -6.615 -1.251 267 HG1 THR 35 HG1 THR 35 42.512 -8.070 -0.413 268 1HG2 THR 35 1HG2 THR 35 42.702 -4.724 -1.737 269 2HG2 THR 35 2HG2 THR 35 43.828 -5.771 -0.874 270 3HG2 THR 35 3HG2 THR 35 43.027 -6.352 -2.334 271 H PHE 36 H PHE 36 42.943 -3.407 -0.366 272 HA PHE 36 HA PHE 36 44.871 -3.879 1.750 273 1HB PHE 36 1HB PHE 36 44.597 -2.017 -0.552 274 2HB PHE 36 2HB PHE 36 45.616 -1.474 0.782 275 HD1 PHE 36 HD1 PHE 36 47.559 -2.860 1.519 276 HD2 PHE 36 HD2 PHE 36 45.264 -3.822 -1.982 277 HE1 PHE 36 HE1 PHE 36 49.377 -4.355 0.739 278 HE2 PHE 36 HE2 PHE 36 47.081 -5.317 -2.763 279 HZ PHE 36 HZ PHE 36 49.138 -5.584 -1.403 280 H GLY 37 H GLY 37 45.637 -1.742 2.971 281 1HA GLY 37 1HA GLY 37 45.133 -0.285 4.737 282 2HA GLY 37 2HA GLY 37 43.812 0.276 3.711 283 H GLY 38 H GLY 38 44.569 -2.632 5.682 284 1HA GLY 38 1HA GLY 38 43.122 -3.009 7.695 285 2HA GLY 38 2HA GLY 38 41.763 -2.468 6.708 286 H LEU 39 H LEU 39 44.068 -5.086 7.206 287 HA LEU 39 HA LEU 39 43.443 -6.864 5.158 288 1HB LEU 39 1HB LEU 39 44.646 -7.031 7.721 289 2HB LEU 39 2HB LEU 39 43.446 -8.322 7.643 290 HG LEU 39 HG LEU 39 45.494 -9.219 6.755 291 1HD1 LEU 39 1HD1 LEU 39 43.151 -8.829 5.115 292 2HD1 LEU 39 2HD1 LEU 39 44.588 -8.885 4.094 293 3HD1 LEU 39 3HD1 LEU 39 44.229 -10.222 5.187 294 1HD2 LEU 39 1HD2 LEU 39 46.210 -6.696 6.178 295 2HD2 LEU 39 2HD2 LEU 39 46.954 -8.080 5.376 296 3HD2 LEU 39 3HD2 LEU 39 45.664 -7.186 4.574 297 H LEU 40 H LEU 40 41.226 -6.606 4.535 298 HA LEU 40 HA LEU 40 39.206 -7.555 6.515 299 1HB LEU 40 1HB LEU 40 39.202 -5.580 4.342 300 2HB LEU 40 2HB LEU 40 37.805 -6.656 4.309 301 HG LEU 40 HG LEU 40 37.570 -6.162 6.820 302 1HD1 LEU 40 1HD1 LEU 40 39.445 -3.923 5.997 303 2HD1 LEU 40 2HD1 LEU 40 38.560 -3.988 7.521 304 3HD1 LEU 40 3HD1 LEU 40 39.795 -5.196 7.166 305 1HD2 LEU 40 1HD2 LEU 40 36.662 -4.818 4.507 306 2HD2 LEU 40 2HD2 LEU 40 35.918 -4.803 6.106 307 3HD2 LEU 40 3HD2 LEU 40 37.083 -3.555 5.664 308 H GLY 41 H GLY 41 41.022 -9.350 4.989 309 1HA GLY 41 1HA GLY 41 39.168 -10.614 3.047 310 2HA GLY 41 2HA GLY 41 40.865 -11.040 3.272 311 H GLU 42 H GLU 42 41.432 -12.451 4.983 312 HA GLU 42 HA GLU 42 39.589 -14.506 5.611 313 1HB GLU 42 1HB GLU 42 42.312 -14.018 6.048 314 2HB GLU 42 2HB GLU 42 41.626 -14.200 7.662 315 1HG GLU 42 1HG GLU 42 40.794 -16.363 7.193 316 2HG GLU 42 2HG GLU 42 40.969 -16.144 5.451 317 H LYS 43 H LYS 43 40.769 -11.869 7.734 318 HA LYS 43 HA LYS 43 38.176 -11.482 8.924 319 1HB LYS 43 1HB LYS 43 39.172 -13.747 9.877 320 2HB LYS 43 2HB LYS 43 40.098 -12.649 10.901 321 1HG LYS 43 1HG LYS 43 38.299 -12.226 12.183 322 2HG LYS 43 2HG LYS 43 37.330 -11.812 10.769 323 1HD LYS 43 1HD LYS 43 36.351 -13.861 10.693 324 2HD LYS 43 2HD LYS 43 37.863 -14.695 11.060 325 1HE LYS 43 1HE LYS 43 36.649 -13.086 13.251 326 2HE LYS 43 2HE LYS 43 35.832 -14.588 12.818 327 1HZ LYS 43 1HZ LYS 43 38.696 -14.817 12.997 328 2HZ LYS 43 2HZ LYS 43 37.954 -14.398 14.467 329 3HZ LYS 43 3HZ LYS 43 37.486 -15.811 13.648 Start of MODEL 11 1 1H ACE 1 HA1 ACE 1 28.117 -6.622 0.316 2 2H ACE 1 HA2 ACE 1 29.224 -7.750 1.097 3 3H ACE 1 HA3 ACE 1 28.165 -6.734 2.075 4 H ARG 2 H ARG 2 26.199 -7.573 2.649 5 HA ARG 2 HA ARG 2 25.573 -10.315 1.943 6 1HB ARG 2 1HB ARG 2 24.242 -8.174 3.582 7 2HB ARG 2 2HB ARG 2 23.345 -9.632 3.156 8 1HG ARG 2 1HG ARG 2 24.361 -10.695 4.860 9 2HG ARG 2 2HG ARG 2 25.892 -10.509 4.004 10 1HD ARG 2 1HD ARG 2 25.182 -8.009 5.247 11 2HD ARG 2 2HD ARG 2 25.137 -9.298 6.450 12 HE ARG 2 HE ARG 2 27.533 -9.028 4.699 13 1HH1 ARG 2 1HH1 ARG 2 26.098 -8.192 7.678 14 2HH1 ARG 2 2HH1 ARG 2 27.510 -8.527 8.623 15 1HH2 ARG 2 1HH2 ARG 2 29.320 -9.802 5.955 16 2HH2 ARG 2 2HH2 ARG 2 29.334 -9.440 7.648 17 H TYR 3 H TYR 3 24.003 -7.177 1.218 18 HA TYR 3 HA TYR 3 23.215 -8.149 -1.415 19 1HB TYR 3 1HB TYR 3 20.794 -7.952 -1.066 20 2HB TYR 3 2HB TYR 3 21.464 -9.165 0.023 21 HD1 TYR 3 HD1 TYR 3 22.364 -8.141 2.342 22 HD2 TYR 3 HD2 TYR 3 19.340 -6.380 -0.149 23 HE1 TYR 3 HE1 TYR 3 21.498 -6.873 4.289 24 HE2 TYR 3 HE2 TYR 3 18.475 -5.112 1.799 25 HH TYR 3 HH TYR 3 19.864 -4.337 4.246 26 HA PRO 4 HA PRO 4 23.483 -3.498 -0.909 27 1HB PRO 4 1HB PRO 4 26.071 -3.125 -1.675 28 2HB PRO 4 2HB PRO 4 25.599 -3.424 0.007 29 1HG PRO 4 1HG PRO 4 27.054 -5.162 -1.831 30 2HG PRO 4 2HG PRO 4 26.860 -5.298 -0.077 31 1HD PRO 4 1HD PRO 4 25.425 -6.715 -2.175 32 2HD PRO 4 2HD PRO 4 25.388 -6.984 -0.425 33 H TYR 5 H TYR 5 24.238 -5.831 -3.324 34 HA TYR 5 HA TYR 5 24.545 -3.926 -5.521 35 1HB TYR 5 1HB TYR 5 25.554 -6.295 -5.341 36 2HB TYR 5 2HB TYR 5 23.949 -6.870 -5.791 37 HD1 TYR 5 HD1 TYR 5 26.349 -4.184 -6.872 38 HD2 TYR 5 HD2 TYR 5 23.596 -7.264 -8.045 39 HE1 TYR 5 HE1 TYR 5 26.846 -3.721 -9.258 40 HE2 TYR 5 HE2 TYR 5 24.092 -6.802 -10.429 41 HH TYR 5 HH TYR 5 26.266 -4.150 -11.371 42 H TYR 6 H TYR 6 21.910 -5.400 -3.879 43 HA TYR 6 HA TYR 6 20.042 -5.478 -6.081 44 1HB TYR 6 1HB TYR 6 19.939 -6.584 -3.691 45 2HB TYR 6 2HB TYR 6 19.153 -5.068 -3.245 46 HD1 TYR 6 HD1 TYR 6 19.027 -7.029 -6.430 47 HD2 TYR 6 HD2 TYR 6 16.861 -5.536 -3.036 48 HE1 TYR 6 HE1 TYR 6 16.906 -7.838 -7.430 49 HE2 TYR 6 HE2 TYR 6 14.740 -6.344 -4.035 50 HH TYR 6 HH TYR 6 14.005 -6.826 -6.649 51 H LEU 7 H LEU 7 20.301 -3.184 -3.331 52 HA LEU 7 HA LEU 7 18.439 -1.322 -4.517 53 1HB LEU 7 1HB LEU 7 20.164 -1.429 -2.124 54 2HB LEU 7 2HB LEU 7 19.868 0.194 -2.749 55 HG LEU 7 HG LEU 7 17.383 -1.113 -2.882 56 1HD1 LEU 7 1HD1 LEU 7 18.994 -2.377 -0.919 57 2HD1 LEU 7 2HD1 LEU 7 17.847 -1.355 -0.052 58 3HD1 LEU 7 3HD1 LEU 7 17.261 -2.578 -1.180 59 1HD2 LEU 7 1HD2 LEU 7 18.580 0.902 -0.963 60 2HD2 LEU 7 2HD2 LEU 7 17.600 1.229 -2.392 61 3HD2 LEU 7 3HD2 LEU 7 16.866 0.488 -0.970 62 H SER 8 H SER 8 22.004 -1.363 -4.281 63 HA SER 8 HA SER 8 22.663 1.078 -5.390 64 1HB SER 8 1HB SER 8 23.874 -1.651 -5.796 65 2HB SER 8 2HB SER 8 24.557 -0.234 -6.590 66 HG SER 8 HG SER 8 24.215 -0.721 -3.816 67 H ASP 9 H ASP 9 21.090 -1.585 -7.009 68 HA ASP 9 HA ASP 9 21.610 -1.060 -9.705 69 1HB ASP 9 1HB ASP 9 18.932 -1.798 -8.491 70 2HB ASP 9 2HB ASP 9 19.398 -2.023 -10.177 71 H ILE 10 H ILE 10 18.728 0.234 -7.986 72 HA ILE 10 HA ILE 10 18.122 2.135 -10.038 73 HB ILE 10 HB ILE 10 17.373 2.038 -7.105 74 1HG1 ILE 10 1HG1 ILE 10 15.851 1.400 -9.656 75 2HG1 ILE 10 2HG1 ILE 10 16.511 0.210 -8.534 76 1HG2 ILE 10 1HG2 ILE 10 16.537 3.919 -9.323 77 2HG2 ILE 10 2HG2 ILE 10 15.542 3.651 -7.891 78 3HG2 ILE 10 3HG2 ILE 10 17.160 4.332 -7.726 79 1HD1 ILE 10 1HD1 ILE 10 15.109 1.525 -6.745 80 2HD1 ILE 10 2HD1 ILE 10 14.205 2.096 -8.148 81 3HD1 ILE 10 3HD1 ILE 10 14.300 0.368 -7.802 82 H THR 11 H THR 11 19.905 2.496 -6.963 83 HA THR 11 HA THR 11 20.374 5.323 -7.301 84 HB THR 11 HB THR 11 21.893 5.120 -5.452 85 HG1 THR 11 HG1 THR 11 23.209 3.492 -5.801 86 1HG2 THR 11 1HG2 THR 11 19.324 4.374 -5.266 87 2HG2 THR 11 2HG2 THR 11 20.077 2.859 -4.769 88 3HG2 THR 11 3HG2 THR 11 20.410 4.342 -3.877 89 H ASP 12 H ASP 12 21.517 2.756 -9.095 90 HA ASP 12 HA ASP 12 24.278 3.406 -9.430 91 1HB ASP 12 1HB ASP 12 22.812 1.354 -10.271 92 2HB ASP 12 2HB ASP 12 22.690 2.339 -11.728 93 H ALA 13 H ALA 13 21.377 4.474 -11.222 94 HA ALA 13 HA ALA 13 23.093 6.453 -12.631 95 1HB ALA 13 1HB ALA 13 20.514 5.094 -13.288 96 2HB ALA 13 2HB ALA 13 20.793 6.709 -13.940 97 3HB ALA 13 3HB ALA 13 21.913 5.400 -14.317 98 H PHE 14 H PHE 14 21.003 6.219 -10.017 99 HA PHE 14 HA PHE 14 19.836 8.904 -10.335 100 1HB PHE 14 1HB PHE 14 18.851 6.703 -9.158 101 2HB PHE 14 2HB PHE 14 19.645 7.422 -7.757 102 HD1 PHE 14 HD1 PHE 14 19.010 9.703 -6.984 103 HD2 PHE 14 HD2 PHE 14 16.909 7.713 -10.158 104 HE1 PHE 14 HE1 PHE 14 17.132 11.307 -6.747 105 HE2 PHE 14 HE2 PHE 14 15.030 9.314 -9.920 106 HZ PHE 14 HZ PHE 14 15.141 11.111 -8.214 107 H SER 15 H SER 15 22.758 7.641 -9.230 108 HA SER 15 HA SER 15 23.245 10.132 -7.684 109 1HB SER 15 1HB SER 15 23.245 7.422 -6.681 110 2HB SER 15 2HB SER 15 24.847 8.134 -6.516 111 HG SER 15 HG SER 15 23.538 8.634 -4.726 112 HA PRO 16 HA PRO 16 26.707 9.743 -10.651 113 1HB PRO 16 1HB PRO 16 26.487 12.302 -11.571 114 2HB PRO 16 2HB PRO 16 25.527 10.963 -12.223 115 1HG PRO 16 1HG PRO 16 24.662 13.228 -10.594 116 2HG PRO 16 2HG PRO 16 23.690 12.091 -11.540 117 1HD PRO 16 1HD PRO 16 24.180 12.095 -8.682 118 2HD PRO 16 2HD PRO 16 23.093 11.055 -9.614 119 H GLN 17 H GLN 17 26.051 12.929 -9.140 120 HA GLN 17 HA GLN 17 28.817 13.398 -8.518 121 1HB GLN 17 1HB GLN 17 28.056 15.333 -7.343 122 2HB GLN 17 2HB GLN 17 26.947 15.139 -8.695 123 1HG GLN 17 1HG GLN 17 26.301 13.887 -6.032 124 2HG GLN 17 2HG GLN 17 25.972 15.594 -6.312 125 1HE2 GLN 17 2HE2 GLN 17 25.170 15.531 -9.038 126 2HE2 GLN 17 1HE2 GLN 17 23.740 14.627 -9.169 127 H VAL 18 H VAL 18 26.218 11.706 -6.959 128 HA VAL 18 HA VAL 18 27.506 11.526 -4.340 129 HB VAL 18 HB VAL 18 25.334 9.785 -5.499 130 1HG1 VAL 18 1HG1 VAL 18 26.734 9.787 -3.024 131 2HG1 VAL 18 2HG1 VAL 18 25.099 10.360 -2.697 132 3HG1 VAL 18 3HG1 VAL 18 25.346 8.797 -3.475 133 1HG2 VAL 18 1HG2 VAL 18 24.928 12.324 -5.567 134 2HG2 VAL 18 2HG2 VAL 18 23.719 11.353 -4.728 135 3HG2 VAL 18 3HG2 VAL 18 24.924 12.252 -3.806 136 H LEU 19 H LEU 19 27.674 9.890 -7.364 137 HA LEU 19 HA LEU 19 28.606 7.327 -6.465 138 1HB LEU 19 1HB LEU 19 28.303 8.717 -8.978 139 2HB LEU 19 2HB LEU 19 29.890 7.952 -8.919 140 HG LEU 19 HG LEU 19 27.330 6.503 -8.205 141 1HD1 LEU 19 1HD1 LEU 19 28.576 7.115 -10.822 142 2HD1 LEU 19 2HD1 LEU 19 28.132 5.426 -10.574 143 3HD1 LEU 19 3HD1 LEU 19 26.907 6.688 -10.442 144 1HD2 LEU 19 1HD2 LEU 19 30.225 5.772 -8.560 145 2HD2 LEU 19 2HD2 LEU 19 29.107 5.291 -7.284 146 3HD2 LEU 19 3HD2 LEU 19 28.980 4.567 -8.887 147 H ALA 20 H ALA 20 30.336 10.279 -7.501 148 HA ALA 20 HA ALA 20 32.973 9.288 -6.933 149 1HB ALA 20 1HB ALA 20 32.031 11.547 -8.088 150 2HB ALA 20 2HB ALA 20 32.410 12.178 -6.486 151 3HB ALA 20 3HB ALA 20 33.672 11.418 -7.456 152 H ALA 21 H ALA 21 30.889 11.470 -5.037 153 HA ALA 21 HA ALA 21 32.300 11.735 -2.682 154 1HB ALA 21 1HB ALA 21 29.442 11.591 -3.411 155 2HB ALA 21 2HB ALA 21 29.780 11.234 -1.718 156 3HB ALA 21 3HB ALA 21 30.285 12.775 -2.412 157 H VAL 22 H VAL 22 30.197 9.035 -3.539 158 HA VAL 22 HA VAL 22 30.352 7.411 -1.308 159 HB VAL 22 HB VAL 22 30.294 6.782 -4.248 160 1HG1 VAL 22 1HG1 VAL 22 30.736 4.838 -1.988 161 2HG1 VAL 22 2HG1 VAL 22 29.849 4.350 -3.432 162 3HG1 VAL 22 3HG1 VAL 22 31.522 4.891 -3.566 163 1HG2 VAL 22 1HG2 VAL 22 28.417 6.254 -1.927 164 2HG2 VAL 22 2HG2 VAL 22 28.250 7.546 -3.115 165 3HG2 VAL 22 3HG2 VAL 22 28.086 5.863 -3.614 166 H ILE 23 H ILE 23 32.728 7.341 -4.009 167 HA ILE 23 HA ILE 23 34.528 5.542 -2.775 168 HB ILE 23 HB ILE 23 35.114 7.888 -4.609 169 1HG1 ILE 23 1HG1 ILE 23 33.662 6.218 -5.625 170 2HG1 ILE 23 2HG1 ILE 23 35.280 6.044 -6.306 171 1HG2 ILE 23 1HG2 ILE 23 36.899 6.248 -3.097 172 2HG2 ILE 23 2HG2 ILE 23 37.030 5.767 -4.788 173 3HG2 ILE 23 3HG2 ILE 23 37.305 7.446 -4.326 174 1HD1 ILE 23 1HD1 ILE 23 35.713 4.268 -4.546 175 2HD1 ILE 23 2HD1 ILE 23 33.994 4.340 -4.160 176 3HD1 ILE 23 3HD1 ILE 23 34.516 3.830 -5.765 177 H PHE 24 H PHE 24 34.213 9.056 -2.398 178 HA PHE 24 HA PHE 24 36.497 9.586 -0.844 179 1HB PHE 24 1HB PHE 24 34.353 11.064 -1.605 180 2HB PHE 24 2HB PHE 24 33.949 10.811 0.091 181 HD1 PHE 24 HD1 PHE 24 35.519 11.550 1.880 182 HD2 PHE 24 HD2 PHE 24 36.194 12.455 -2.264 183 HE1 PHE 24 HE1 PHE 24 37.153 13.301 2.528 184 HE2 PHE 24 HE2 PHE 24 37.828 14.204 -1.617 185 HZ PHE 24 HZ PHE 24 38.307 14.628 0.779 186 H ILE 25 H ILE 25 33.375 8.200 0.142 187 HA ILE 25 HA ILE 25 34.112 8.024 2.949 188 HB ILE 25 HB ILE 25 32.026 6.350 1.525 189 1HG1 ILE 25 1HG1 ILE 25 31.349 8.963 2.816 190 2HG1 ILE 25 2HG1 ILE 25 32.055 9.002 1.200 191 1HG2 ILE 25 1HG2 ILE 25 32.668 7.129 4.338 192 2HG2 ILE 25 2HG2 ILE 25 30.966 6.968 3.900 193 3HG2 ILE 25 3HG2 ILE 25 32.060 5.598 3.708 194 1HD1 ILE 25 1HD1 ILE 25 30.290 7.247 0.563 195 2HD1 ILE 25 2HD1 ILE 25 29.498 7.659 2.083 196 3HD1 ILE 25 3HD1 ILE 25 29.707 8.889 0.837 197 H TYR 26 H TYR 26 34.194 5.778 0.167 198 HA TYR 26 HA TYR 26 35.048 3.486 1.666 199 1HB TYR 26 1HB TYR 26 35.199 4.320 -1.213 200 2HB TYR 26 2HB TYR 26 36.174 2.952 -0.677 201 HD1 TYR 26 HD1 TYR 26 32.985 3.780 0.959 202 HD2 TYR 26 HD2 TYR 26 34.903 1.332 -2.004 203 HE1 TYR 26 HE1 TYR 26 30.983 2.318 0.868 204 HE2 TYR 26 HE2 TYR 26 32.904 -0.127 -2.096 205 HH TYR 26 HH TYR 26 30.993 -0.722 -0.598 206 H PHE 27 H PHE 27 36.569 6.427 0.844 207 HA PHE 27 HA PHE 27 39.311 5.380 1.122 208 1HB PHE 27 1HB PHE 27 38.189 7.545 -0.225 209 2HB PHE 27 2HB PHE 27 38.963 8.291 1.174 210 HD1 PHE 27 HD1 PHE 27 41.298 6.700 1.700 211 HD2 PHE 27 HD2 PHE 27 39.580 7.777 -2.086 212 HE1 PHE 27 HE1 PHE 27 43.513 6.428 0.619 213 HE2 PHE 27 HE2 PHE 27 41.794 7.505 -3.169 214 HZ PHE 27 HZ PHE 27 43.762 6.831 -1.817 215 H ALA 28 H ALA 28 36.914 7.280 2.835 216 HA ALA 28 HA ALA 28 38.493 8.149 5.044 217 1HB ALA 28 1HB ALA 28 35.557 7.629 4.616 218 2HB ALA 28 2HB ALA 28 36.159 8.087 6.209 219 3HB ALA 28 3HB ALA 28 36.381 9.172 4.837 220 H ALA 29 H ALA 29 36.230 5.387 4.866 221 HA ALA 29 HA ALA 29 36.821 4.251 7.386 222 1HB ALA 29 1HB ALA 29 35.451 3.473 4.962 223 2HB ALA 29 2HB ALA 29 36.346 2.106 5.628 224 3HB ALA 29 3HB ALA 29 35.155 2.947 6.619 225 H LEU 30 H LEU 30 38.250 3.535 4.230 226 HA LEU 30 HA LEU 30 40.043 1.500 5.099 227 1HB LEU 30 1HB LEU 30 39.338 2.122 2.718 228 2HB LEU 30 2HB LEU 30 40.541 3.400 2.800 229 HG LEU 30 HG LEU 30 41.149 1.038 1.779 230 1HD1 LEU 30 1HD1 LEU 30 42.638 3.106 3.142 231 2HD1 LEU 30 2HD1 LEU 30 43.432 1.543 3.350 232 3HD1 LEU 30 3HD1 LEU 30 43.091 2.152 1.730 233 1HD2 LEU 30 1HD2 LEU 30 40.405 0.010 4.088 234 2HD2 LEU 30 2HD2 LEU 30 41.821 -0.632 3.257 235 3HD2 LEU 30 3HD2 LEU 30 42.023 0.492 4.600 236 H SER 31 H SER 31 40.136 4.691 6.028 237 HA SER 31 HA SER 31 42.708 5.626 5.775 238 1HB SER 31 1HB SER 31 40.534 6.085 7.562 239 2HB SER 31 2HB SER 31 42.030 6.056 8.492 240 HG SER 31 HG SER 31 42.091 7.410 6.068 241 HA PRO 32 HA PRO 32 44.397 2.996 9.395 242 1HB PRO 32 1HB PRO 32 42.638 1.665 10.998 243 2HB PRO 32 2HB PRO 32 43.032 3.381 11.194 244 1HG PRO 32 1HG PRO 32 40.539 2.169 10.312 245 2HG PRO 32 2HG PRO 32 40.865 3.848 10.767 246 1HD PRO 32 1HD PRO 32 40.706 2.670 8.101 247 2HD PRO 32 2HD PRO 32 40.727 4.378 8.557 248 H ALA 33 H ALA 33 41.871 1.371 7.564 249 HA ALA 33 HA ALA 33 42.653 -1.325 8.137 250 1HB ALA 33 1HB ALA 33 40.889 0.038 6.276 251 2HB ALA 33 2HB ALA 33 41.751 -1.283 5.484 252 3HB ALA 33 3HB ALA 33 40.779 -1.601 6.919 253 H ILE 34 H ILE 34 44.017 1.153 6.138 254 HA ILE 34 HA ILE 34 45.496 -0.437 4.300 255 HB ILE 34 HB ILE 34 45.162 2.073 4.234 256 1HG1 ILE 34 1HG1 ILE 34 46.878 0.686 2.896 257 2HG1 ILE 34 2HG1 ILE 34 47.145 2.425 2.994 258 1HG2 ILE 34 1HG2 ILE 34 46.672 1.853 6.688 259 2HG2 ILE 34 2HG2 ILE 34 47.517 2.889 5.541 260 3HG2 ILE 34 3HG2 ILE 34 45.859 3.261 6.007 261 1HD1 ILE 34 1HD1 ILE 34 48.404 1.177 5.256 262 2HD1 ILE 34 2HD1 ILE 34 48.915 0.345 3.790 263 3HD1 ILE 34 3HD1 ILE 34 49.153 2.084 3.945 264 H THR 35 H THR 35 46.023 0.204 7.697 265 HA THR 35 HA THR 35 48.832 -0.591 7.626 266 HB THR 35 HB THR 35 47.172 -0.626 10.132 267 HG1 THR 35 HG1 THR 35 46.561 1.310 9.489 268 1HG2 THR 35 1HG2 THR 35 49.998 -0.414 9.330 269 2HG2 THR 35 2HG2 THR 35 49.517 0.716 10.594 270 3HG2 THR 35 3HG2 THR 35 49.297 -1.017 10.831 271 H PHE 36 H PHE 36 45.769 -2.204 7.885 272 HA PHE 36 HA PHE 36 46.412 -4.550 9.286 273 1HB PHE 36 1HB PHE 36 44.176 -3.873 8.189 274 2HB PHE 36 2HB PHE 36 44.822 -4.599 6.717 275 HD1 PHE 36 HD1 PHE 36 45.651 -7.024 6.828 276 HD2 PHE 36 HD2 PHE 36 43.232 -5.222 9.886 277 HE1 PHE 36 HE1 PHE 36 45.021 -9.275 7.656 278 HE2 PHE 36 HE2 PHE 36 42.602 -7.472 10.713 279 HZ PHE 36 HZ PHE 36 43.496 -9.499 9.599 280 H GLY 37 H GLY 37 48.289 -5.676 8.979 281 1HA GLY 37 1HA GLY 37 48.747 -7.017 6.442 282 2HA GLY 37 2HA GLY 37 49.944 -5.760 6.755 283 H GLY 38 H GLY 38 48.405 -7.719 9.257 284 1HA GLY 38 1HA GLY 38 49.653 -9.859 9.937 285 2HA GLY 38 2HA GLY 38 51.103 -8.857 9.868 286 H LEU 39 H LEU 39 47.959 -9.141 11.502 287 HA LEU 39 HA LEU 39 48.745 -7.260 13.601 288 1HB LEU 39 1HB LEU 39 46.325 -8.268 12.643 289 2HB LEU 39 2HB LEU 39 46.493 -8.997 14.240 290 HG LEU 39 HG LEU 39 45.392 -6.905 14.587 291 1HD1 LEU 39 1HD1 LEU 39 47.553 -7.519 15.955 292 2HD1 LEU 39 2HD1 LEU 39 48.247 -6.130 15.119 293 3HD1 LEU 39 3HD1 LEU 39 46.829 -5.922 16.147 294 1HD2 LEU 39 1HD2 LEU 39 46.024 -5.974 12.340 295 2HD2 LEU 39 2HD2 LEU 39 46.192 -4.808 13.653 296 3HD2 LEU 39 3HD2 LEU 39 47.621 -5.605 12.993 297 H LEU 40 H LEU 40 47.483 -10.561 14.031 298 HA LEU 40 HA LEU 40 49.261 -10.907 16.351 299 1HB LEU 40 1HB LEU 40 47.195 -12.763 15.129 300 2HB LEU 40 2HB LEU 40 48.023 -13.021 16.665 301 HG LEU 40 HG LEU 40 46.612 -10.418 16.250 302 1HD1 LEU 40 1HD1 LEU 40 45.043 -12.255 15.494 303 2HD1 LEU 40 2HD1 LEU 40 45.177 -12.945 17.112 304 3HD1 LEU 40 3HD1 LEU 40 44.477 -11.341 16.893 305 1HD2 LEU 40 1HD2 LEU 40 48.036 -11.435 18.296 306 2HD2 LEU 40 2HD2 LEU 40 46.680 -10.337 18.550 307 3HD2 LEU 40 3HD2 LEU 40 46.450 -12.077 18.721 308 H GLY 41 H GLY 41 48.596 -12.746 13.343 309 1HA GLY 41 1HA GLY 41 50.017 -14.114 12.073 310 2HA GLY 41 2HA GLY 41 51.349 -13.149 12.713 311 H GLU 42 H GLU 42 50.507 -16.229 12.457 312 HA GLU 42 HA GLU 42 50.566 -17.351 15.060 313 1HB GLU 42 1HB GLU 42 50.906 -18.286 12.330 314 2HB GLU 42 2HB GLU 42 52.020 -19.110 13.422 315 1HG GLU 42 1HG GLU 42 49.880 -20.320 13.310 316 2HG GLU 42 2HG GLU 42 50.127 -19.657 14.926 317 H LYS 43 H LYS 43 53.028 -15.727 13.295 318 HA LYS 43 HA LYS 43 55.063 -16.703 15.261 319 1HB LYS 43 1HB LYS 43 56.209 -15.388 12.931 320 2HB LYS 43 2HB LYS 43 56.555 -16.986 13.589 321 1HG LYS 43 1HG LYS 43 54.082 -16.426 11.937 322 2HG LYS 43 2HG LYS 43 55.607 -16.923 11.208 323 1HD LYS 43 1HD LYS 43 55.594 -18.919 12.770 324 2HD LYS 43 2HD LYS 43 53.951 -18.464 13.221 325 1HE LYS 43 1HE LYS 43 53.763 -20.101 11.469 326 2HE LYS 43 2HE LYS 43 53.360 -18.540 10.758 327 1HZ LYS 43 1HZ LYS 43 56.110 -19.621 10.681 328 2HZ LYS 43 2HZ LYS 43 54.966 -20.013 9.489 329 3HZ LYS 43 3HZ LYS 43 55.433 -18.396 9.726 Start of MODEL 12 1 1H ACE 1 HA1 ACE 1 27.012 -15.296 -10.961 2 2H ACE 1 HA2 ACE 1 27.246 -14.657 -12.587 3 3H ACE 1 HA3 ACE 1 25.618 -14.994 -11.998 4 H ARG 2 H ARG 2 26.503 -12.433 -12.997 5 HA ARG 2 HA ARG 2 26.659 -10.788 -10.518 6 1HB ARG 2 1HB ARG 2 28.270 -10.448 -12.486 7 2HB ARG 2 2HB ARG 2 26.888 -9.784 -13.358 8 1HG ARG 2 1HG ARG 2 26.816 -7.888 -12.080 9 2HG ARG 2 2HG ARG 2 27.323 -8.733 -10.616 10 1HD ARG 2 1HD ARG 2 29.345 -7.775 -10.944 11 2HD ARG 2 2HD ARG 2 29.548 -8.935 -12.256 12 HE ARG 2 HE ARG 2 28.809 -7.193 -13.821 13 1HH1 ARG 2 1HH1 ARG 2 27.834 -5.911 -10.952 14 2HH1 ARG 2 2HH1 ARG 2 28.632 -4.383 -11.123 15 1HH2 ARG 2 1HH2 ARG 2 30.493 -5.366 -13.882 16 2HH2 ARG 2 2HH2 ARG 2 30.133 -4.073 -12.788 17 H TYR 3 H TYR 3 25.115 -9.124 -10.150 18 HA TYR 3 HA TYR 3 22.450 -9.712 -11.182 19 1HB TYR 3 1HB TYR 3 23.606 -7.816 -9.164 20 2HB TYR 3 2HB TYR 3 21.982 -7.521 -9.781 21 HD1 TYR 3 HD1 TYR 3 23.056 -10.983 -9.754 22 HD2 TYR 3 HD2 TYR 3 21.207 -7.901 -7.401 23 HE1 TYR 3 HE1 TYR 3 22.154 -12.701 -8.211 24 HE2 TYR 3 HE2 TYR 3 20.304 -9.619 -5.860 25 HH TYR 3 HH TYR 3 21.033 -12.063 -5.206 26 HA PRO 4 HA PRO 4 22.884 -6.709 -14.509 27 1HB PRO 4 1HB PRO 4 20.668 -7.543 -15.856 28 2HB PRO 4 2HB PRO 4 22.221 -8.393 -15.926 29 1HG PRO 4 1HG PRO 4 19.727 -9.190 -14.609 30 2HG PRO 4 2HG PRO 4 21.121 -10.176 -15.073 31 1HD PRO 4 1HD PRO 4 20.469 -9.167 -12.461 32 2HD PRO 4 2HD PRO 4 21.858 -10.159 -12.933 33 H TYR 5 H TYR 5 19.403 -7.300 -14.178 34 HA TYR 5 HA TYR 5 18.921 -4.433 -13.950 35 1HB TYR 5 1HB TYR 5 17.429 -6.371 -15.013 36 2HB TYR 5 2HB TYR 5 16.765 -6.423 -13.380 37 HD1 TYR 5 HD1 TYR 5 17.803 -3.843 -15.910 38 HD2 TYR 5 HD2 TYR 5 14.943 -5.047 -12.939 39 HE1 TYR 5 HE1 TYR 5 16.461 -1.813 -16.379 40 HE2 TYR 5 HE2 TYR 5 13.601 -3.015 -13.410 41 HH TYR 5 HH TYR 5 13.353 -1.427 -15.541 42 H TYR 6 H TYR 6 18.759 -7.236 -11.778 43 HA TYR 6 HA TYR 6 17.552 -6.091 -9.525 44 1HB TYR 6 1HB TYR 6 19.732 -8.128 -9.878 45 2HB TYR 6 2HB TYR 6 19.333 -7.566 -8.255 46 HD1 TYR 6 HD1 TYR 6 17.046 -7.899 -7.336 47 HD2 TYR 6 HD2 TYR 6 18.230 -9.530 -11.129 48 HE1 TYR 6 HE1 TYR 6 15.090 -9.422 -7.292 49 HE2 TYR 6 HE2 TYR 6 16.274 -11.052 -11.085 50 HH TYR 6 HH TYR 6 14.644 -11.872 -8.519 51 H LEU 7 H LEU 7 20.920 -5.818 -10.610 52 HA LEU 7 HA LEU 7 21.959 -4.399 -8.386 53 1HB LEU 7 1HB LEU 7 23.272 -5.347 -10.327 54 2HB LEU 7 2HB LEU 7 22.737 -3.961 -11.278 55 HG LEU 7 HG LEU 7 23.632 -2.678 -9.070 56 1HD1 LEU 7 1HD1 LEU 7 25.265 -5.215 -9.344 57 2HD1 LEU 7 2HD1 LEU 7 25.846 -3.777 -8.506 58 3HD1 LEU 7 3HD1 LEU 7 24.424 -4.632 -7.908 59 1HD2 LEU 7 1HD2 LEU 7 24.275 -2.634 -11.642 60 2HD2 LEU 7 2HD2 LEU 7 25.347 -1.916 -10.440 61 3HD2 LEU 7 3HD2 LEU 7 25.691 -3.523 -11.080 62 H SER 8 H SER 8 20.456 -3.172 -11.367 63 HA SER 8 HA SER 8 20.628 -0.411 -10.421 64 1HB SER 8 1HB SER 8 20.250 0.107 -12.587 65 2HB SER 8 2HB SER 8 20.379 -1.619 -12.909 66 HG SER 8 HG SER 8 18.079 -1.697 -12.411 67 H ASP 9 H ASP 9 18.963 -2.487 -8.911 68 HA ASP 9 HA ASP 9 16.247 -1.405 -9.247 69 1HB ASP 9 1HB ASP 9 17.453 -3.670 -7.692 70 2HB ASP 9 2HB ASP 9 15.873 -3.042 -7.222 71 H ILE 10 H ILE 10 17.051 -2.222 -6.001 72 HA ILE 10 HA ILE 10 16.590 0.575 -5.206 73 HB ILE 10 HB ILE 10 17.026 -1.768 -3.359 74 1HG1 ILE 10 1HG1 ILE 10 14.344 -0.916 -4.469 75 2HG1 ILE 10 2HG1 ILE 10 15.295 -2.201 -5.216 76 1HG2 ILE 10 1HG2 ILE 10 16.682 0.889 -2.849 77 2HG2 ILE 10 2HG2 ILE 10 15.008 0.334 -2.840 78 3HG2 ILE 10 3HG2 ILE 10 16.184 -0.394 -1.745 79 1HD1 ILE 10 1HD1 ILE 10 15.335 -2.806 -2.487 80 2HD1 ILE 10 2HD1 ILE 10 13.681 -2.277 -2.794 81 3HD1 ILE 10 3HD1 ILE 10 14.367 -3.612 -3.721 82 H THR 11 H THR 11 19.319 -1.188 -5.957 83 HA THR 11 HA THR 11 21.034 -0.464 -3.750 84 HB THR 11 HB THR 11 22.822 -1.286 -5.047 85 HG1 THR 11 HG1 THR 11 22.970 -0.958 -7.132 86 1HG2 THR 11 1HG2 THR 11 20.256 -2.636 -5.229 87 2HG2 THR 11 2HG2 THR 11 21.288 -3.041 -6.599 88 3HG2 THR 11 3HG2 THR 11 21.859 -3.317 -4.954 89 H ASP 12 H ASP 12 19.607 1.436 -6.148 90 HA ASP 12 HA ASP 12 21.824 3.338 -6.413 91 1HB ASP 12 1HB ASP 12 19.174 2.954 -7.615 92 2HB ASP 12 2HB ASP 12 19.550 4.647 -7.290 93 H ALA 13 H ALA 13 19.026 2.898 -4.376 94 HA ALA 13 HA ALA 13 19.063 5.646 -3.369 95 1HB ALA 13 1HB ALA 13 17.282 3.414 -3.248 96 2HB ALA 13 2HB ALA 13 17.673 3.888 -1.596 97 3HB ALA 13 3HB ALA 13 16.991 5.069 -2.714 98 H PHE 14 H PHE 14 20.866 2.826 -2.783 99 HA PHE 14 HA PHE 14 21.400 3.437 0.045 100 1HB PHE 14 1HB PHE 14 21.872 1.202 -1.781 101 2HB PHE 14 2HB PHE 14 23.284 1.568 -0.789 102 HD1 PHE 14 HD1 PHE 14 19.599 0.978 -0.588 103 HD2 PHE 14 HD2 PHE 14 23.369 0.901 1.469 104 HE1 PHE 14 HE1 PHE 14 18.513 -0.109 1.359 105 HE2 PHE 14 HE2 PHE 14 22.284 -0.187 3.416 106 HZ PHE 14 HZ PHE 14 19.856 -0.692 3.362 107 H SER 15 H SER 15 22.445 4.666 -2.873 108 HA SER 15 HA SER 15 24.463 5.672 -3.599 109 1HB SER 15 1HB SER 15 23.546 7.480 -2.395 110 2HB SER 15 2HB SER 15 23.846 6.708 -0.840 111 HG SER 15 HG SER 15 25.349 8.433 -1.553 112 HA PRO 16 HA PRO 16 27.330 2.870 -1.174 113 1HB PRO 16 1HB PRO 16 27.354 0.725 -2.853 114 2HB PRO 16 2HB PRO 16 26.182 0.905 -1.535 115 1HG PRO 16 1HG PRO 16 25.751 1.058 -4.419 116 2HG PRO 16 2HG PRO 16 24.565 0.888 -3.115 117 1HD PRO 16 1HD PRO 16 25.315 3.285 -4.571 118 2HD PRO 16 2HD PRO 16 24.019 3.068 -3.386 119 H GLN 17 H GLN 17 27.229 2.452 -4.728 120 HA GLN 17 HA GLN 17 29.948 2.323 -5.240 121 1HB GLN 17 1HB GLN 17 27.645 2.694 -6.778 122 2HB GLN 17 2HB GLN 17 28.653 4.089 -7.164 123 1HG GLN 17 1HG GLN 17 29.226 2.291 -8.688 124 2HG GLN 17 2HG GLN 17 30.568 2.518 -7.566 125 1HE2 GLN 17 2HE2 GLN 17 30.975 0.841 -5.987 126 2HE2 GLN 17 1HE2 GLN 17 30.203 -0.669 -6.057 127 H VAL 18 H VAL 18 28.060 5.189 -4.449 128 HA VAL 18 HA VAL 18 30.331 6.977 -4.978 129 HB VAL 18 HB VAL 18 27.504 7.355 -4.040 130 1HG1 VAL 18 1HG1 VAL 18 29.830 9.145 -3.608 131 2HG1 VAL 18 2HG1 VAL 18 28.383 9.907 -4.268 132 3HG1 VAL 18 3HG1 VAL 18 28.304 9.052 -2.727 133 1HG2 VAL 18 1HG2 VAL 18 28.337 7.162 -6.504 134 2HG2 VAL 18 2HG2 VAL 18 27.221 8.463 -6.090 135 3HG2 VAL 18 3HG2 VAL 18 28.945 8.798 -6.251 136 H LEU 19 H LEU 19 28.526 5.888 -2.064 137 HA LEU 19 HA LEU 19 30.070 7.369 -0.185 138 1HB LEU 19 1HB LEU 19 27.958 5.977 0.258 139 2HB LEU 19 2HB LEU 19 29.016 4.566 0.290 140 HG LEU 19 HG LEU 19 30.137 6.669 1.921 141 1HD1 LEU 19 1HD1 LEU 19 27.479 7.015 1.941 142 2HD1 LEU 19 2HD1 LEU 19 27.573 5.686 3.097 143 3HD1 LEU 19 3HD1 LEU 19 28.447 7.186 3.406 144 1HD2 LEU 19 1HD2 LEU 19 30.371 4.060 1.893 145 2HD2 LEU 19 2HD2 LEU 19 30.417 4.904 3.441 146 3HD2 LEU 19 3HD2 LEU 19 28.938 4.096 2.921 147 H ALA 20 H ALA 20 30.468 3.933 -1.081 148 HA ALA 20 HA ALA 20 32.918 3.436 0.158 149 1HB ALA 20 1HB ALA 20 31.559 1.768 -1.137 150 2HB ALA 20 2HB ALA 20 32.151 2.510 -2.623 151 3HB ALA 20 3HB ALA 20 33.280 1.719 -1.523 152 H ALA 21 H ALA 21 32.360 4.792 -3.075 153 HA ALA 21 HA ALA 21 34.985 5.110 -3.971 154 1HB ALA 21 1HB ALA 21 32.403 6.290 -4.538 155 2HB ALA 21 2HB ALA 21 33.666 7.517 -4.639 156 3HB ALA 21 3HB ALA 21 33.772 6.058 -5.624 157 H VAL 22 H VAL 22 33.135 7.513 -2.129 158 HA VAL 22 HA VAL 22 35.188 9.401 -1.718 159 HB VAL 22 HB VAL 22 32.799 8.645 -0.003 160 1HG1 VAL 22 1HG1 VAL 22 35.080 10.314 0.641 161 2HG1 VAL 22 2HG1 VAL 22 33.621 11.299 0.534 162 3HG1 VAL 22 3HG1 VAL 22 33.679 9.925 1.639 163 1HG2 VAL 22 1HG2 VAL 22 32.785 9.770 -2.429 164 2HG2 VAL 22 2HG2 VAL 22 31.664 10.287 -1.169 165 3HG2 VAL 22 3HG2 VAL 22 33.125 11.222 -1.488 166 H ILE 23 H ILE 23 34.195 6.741 0.450 167 HA ILE 23 HA ILE 23 36.314 7.150 2.347 168 HB ILE 23 HB ILE 23 34.751 4.652 1.666 169 1HG1 ILE 23 1HG1 ILE 23 34.077 6.201 4.085 170 2HG1 ILE 23 2HG1 ILE 23 33.756 7.051 2.573 171 1HG2 ILE 23 1HG2 ILE 23 36.665 5.389 3.848 172 2HG2 ILE 23 2HG2 ILE 23 35.286 4.372 4.265 173 3HG2 ILE 23 3HG2 ILE 23 36.435 3.840 3.037 174 1HD1 ILE 23 1HD1 ILE 23 32.819 4.527 2.015 175 2HD1 ILE 23 2HD1 ILE 23 32.413 4.698 3.722 176 3HD1 ILE 23 3HD1 ILE 23 31.815 5.875 2.553 177 H PHE 24 H PHE 24 36.251 5.793 -0.783 178 HA PHE 24 HA PHE 24 38.374 3.877 -0.490 179 1HB PHE 24 1HB PHE 24 36.802 4.937 -2.638 180 2HB PHE 24 2HB PHE 24 38.500 5.108 -3.079 181 HD1 PHE 24 HD1 PHE 24 39.899 2.888 -2.055 182 HD2 PHE 24 HD2 PHE 24 35.859 2.997 -3.508 183 HE1 PHE 24 HE1 PHE 24 40.011 0.459 -2.547 184 HE2 PHE 24 HE2 PHE 24 35.969 0.569 -4.000 185 HZ PHE 24 HZ PHE 24 38.045 -0.701 -3.518 186 H ILE 25 H ILE 25 38.256 7.344 -1.196 187 HA ILE 25 HA ILE 25 41.106 7.648 -1.567 188 HB ILE 25 HB ILE 25 39.270 9.804 -0.505 189 1HG1 ILE 25 1HG1 ILE 25 39.462 8.688 -3.318 190 2HG1 ILE 25 2HG1 ILE 25 38.017 8.827 -2.313 191 1HG2 ILE 25 1HG2 ILE 25 41.833 10.043 -0.890 192 2HG2 ILE 25 2HG2 ILE 25 41.420 10.039 -2.605 193 3HG2 ILE 25 3HG2 ILE 25 40.772 11.290 -1.544 194 1HD1 ILE 25 1HD1 ILE 25 39.660 11.164 -3.333 195 2HD1 ILE 25 2HD1 ILE 25 38.122 10.631 -4.012 196 3HD1 ILE 25 3HD1 ILE 25 38.186 11.274 -2.371 197 H TYR 26 H TYR 26 38.943 8.090 1.272 198 HA TYR 26 HA TYR 26 41.029 8.852 3.097 199 1HB TYR 26 1HB TYR 26 38.408 8.819 3.371 200 2HB TYR 26 2HB TYR 26 38.665 7.169 3.926 201 HD1 TYR 26 HD1 TYR 26 41.182 7.321 5.401 202 HD2 TYR 26 HD2 TYR 26 37.919 10.110 5.254 203 HE1 TYR 26 HE1 TYR 26 41.805 8.173 7.645 204 HE2 TYR 26 HE2 TYR 26 38.543 10.960 7.498 205 HH TYR 26 HH TYR 26 41.259 9.528 9.311 206 H PHE 27 H PHE 27 39.358 5.744 3.004 207 HA PHE 27 HA PHE 27 41.054 4.071 4.357 208 1HB PHE 27 1HB PHE 27 38.912 3.747 2.657 209 2HB PHE 27 2HB PHE 27 40.213 2.948 1.775 210 HD1 PHE 27 HD1 PHE 27 39.088 3.230 5.358 211 HD2 PHE 27 HD2 PHE 27 40.428 0.674 2.176 212 HE1 PHE 27 HE1 PHE 27 38.909 1.263 6.860 213 HE2 PHE 27 HE2 PHE 27 40.248 -1.292 3.677 214 HZ PHE 27 HZ PHE 27 39.489 -0.997 6.019 215 H ALA 28 H ALA 28 41.537 5.424 1.168 216 HA ALA 28 HA ALA 28 43.686 3.677 0.386 217 1HB ALA 28 1HB ALA 28 42.746 6.369 -0.589 218 2HB ALA 28 2HB ALA 28 44.096 5.509 -1.332 219 3HB ALA 28 3HB ALA 28 42.485 4.790 -1.330 220 H ALA 29 H ALA 29 43.869 7.157 1.288 221 HA ALA 29 HA ALA 29 46.776 6.867 1.487 222 1HB ALA 29 1HB ALA 29 45.076 8.899 0.716 223 2HB ALA 29 2HB ALA 29 45.697 9.451 2.271 224 3HB ALA 29 3HB ALA 29 46.816 9.042 0.970 225 H LEU 30 H LEU 30 44.653 8.685 3.706 226 HA LEU 30 HA LEU 30 46.572 8.164 5.845 227 1HB LEU 30 1HB LEU 30 45.380 9.798 7.118 228 2HB LEU 30 2HB LEU 30 45.454 10.391 5.460 229 HG LEU 30 HG LEU 30 43.102 8.744 6.322 230 1HD1 LEU 30 1HD1 LEU 30 43.576 11.676 6.914 231 2HD1 LEU 30 2HD1 LEU 30 41.973 10.941 6.908 232 3HD1 LEU 30 3HD1 LEU 30 43.187 10.401 8.068 233 1HD2 LEU 30 1HD2 LEU 30 43.825 10.688 4.179 234 2HD2 LEU 30 2HD2 LEU 30 42.879 9.203 4.075 235 3HD2 LEU 30 3HD2 LEU 30 42.147 10.672 4.720 236 H SER 31 H SER 31 44.820 5.901 4.877 237 HA SER 31 HA SER 31 43.194 5.396 7.285 238 1HB SER 31 1HB SER 31 41.984 4.079 5.941 239 2HB SER 31 2HB SER 31 43.035 4.550 4.611 240 HG SER 31 HG SER 31 43.686 2.553 4.635 241 HA PRO 32 HA PRO 32 46.626 2.049 7.701 242 1HB PRO 32 1HB PRO 32 48.391 1.787 5.634 243 2HB PRO 32 2HB PRO 32 46.808 0.993 5.666 244 1HG PRO 32 1HG PRO 32 47.730 3.172 3.968 245 2HG PRO 32 2HG PRO 32 46.268 2.184 3.824 246 1HD PRO 32 1HD PRO 32 46.552 4.866 4.934 247 2HD PRO 32 2HD PRO 32 45.070 3.971 4.559 248 H ALA 33 H ALA 33 47.037 5.155 7.745 249 HA ALA 33 HA ALA 33 49.988 5.269 7.809 250 1HB ALA 33 1HB ALA 33 47.835 7.368 8.160 251 2HB ALA 33 2HB ALA 33 49.552 7.706 8.383 252 3HB ALA 33 3HB ALA 33 48.953 7.191 6.807 253 H ILE 34 H ILE 34 47.750 6.846 10.047 254 HA ILE 34 HA ILE 34 49.460 6.366 12.312 255 HB ILE 34 HB ILE 34 46.512 7.080 12.316 256 1HG1 ILE 34 1HG1 ILE 34 48.371 9.272 12.736 257 2HG1 ILE 34 2HG1 ILE 34 48.653 8.502 11.174 258 1HG2 ILE 34 1HG2 ILE 34 48.744 7.207 14.337 259 2HG2 ILE 34 2HG2 ILE 34 47.363 8.297 14.453 260 3HG2 ILE 34 3HG2 ILE 34 47.118 6.552 14.530 261 1HD1 ILE 34 1HD1 ILE 34 45.853 8.659 11.445 262 2HD1 ILE 34 2HD1 ILE 34 46.471 10.222 11.981 263 3HD1 ILE 34 3HD1 ILE 34 46.872 9.620 10.373 264 H THR 35 H THR 35 46.330 4.924 11.342 265 HA THR 35 HA THR 35 46.142 3.076 13.493 266 HB THR 35 HB THR 35 45.162 2.765 10.638 267 HG1 THR 35 HG1 THR 35 44.465 4.619 11.954 268 1HG2 THR 35 1HG2 THR 35 45.154 0.962 12.859 269 2HG2 THR 35 2HG2 THR 35 43.498 1.499 12.574 270 3HG2 THR 35 3HG2 THR 35 44.417 0.743 11.271 271 H PHE 36 H PHE 36 48.220 3.122 10.738 272 HA PHE 36 HA PHE 36 48.778 0.414 10.292 273 1HB PHE 36 1HB PHE 36 49.853 2.732 9.396 274 2HB PHE 36 2HB PHE 36 51.135 2.209 10.485 275 HD1 PHE 36 HD1 PHE 36 48.870 0.826 7.828 276 HD2 PHE 36 HD2 PHE 36 52.733 0.703 9.704 277 HE1 PHE 36 HE1 PHE 36 49.629 -0.841 6.156 278 HE2 PHE 36 HE2 PHE 36 53.492 -0.962 8.031 279 HZ PHE 36 HZ PHE 36 51.941 -1.735 6.258 280 H GLY 37 H GLY 37 48.980 -1.022 11.971 281 1HA GLY 37 1HA GLY 37 51.333 -1.150 13.528 282 2HA GLY 37 2HA GLY 37 50.104 -0.375 14.526 283 H GLY 38 H GLY 38 47.879 -1.622 14.371 284 1HA GLY 38 1HA GLY 38 47.032 -3.999 13.911 285 2HA GLY 38 2HA GLY 38 48.512 -4.524 14.717 286 H LEU 39 H LEU 39 45.583 -2.556 15.280 287 HA LEU 39 HA LEU 39 45.944 -2.850 18.194 288 1HB LEU 39 1HB LEU 39 43.767 -1.513 18.240 289 2HB LEU 39 2HB LEU 39 45.153 -0.697 17.519 290 HG LEU 39 HG LEU 39 43.578 -2.304 15.615 291 1HD1 LEU 39 1HD1 LEU 39 42.353 -0.105 17.247 292 2HD1 LEU 39 2HD1 LEU 39 41.936 -0.226 15.538 293 3HD1 LEU 39 3HD1 LEU 39 41.611 -1.578 16.623 294 1HD2 LEU 39 1HD2 LEU 39 45.414 -0.183 15.601 295 2HD2 LEU 39 2HD2 LEU 39 44.549 -0.827 14.206 296 3HD2 LEU 39 3HD2 LEU 39 43.888 0.543 15.099 297 H LEU 40 H LEU 40 42.647 -2.870 17.659 298 HA LEU 40 HA LEU 40 42.370 -5.555 18.645 299 1HB LEU 40 1HB LEU 40 40.702 -3.549 18.790 300 2HB LEU 40 2HB LEU 40 40.159 -4.099 17.205 301 HG LEU 40 HG LEU 40 39.949 -6.429 18.260 302 1HD1 LEU 40 1HD1 LEU 40 41.305 -5.430 20.326 303 2HD1 LEU 40 2HD1 LEU 40 39.684 -5.007 20.877 304 3HD1 LEU 40 3HD1 LEU 40 40.093 -6.691 20.552 305 1HD2 LEU 40 1HD2 LEU 40 38.206 -4.187 18.220 306 2HD2 LEU 40 2HD2 LEU 40 37.761 -5.892 18.272 307 3HD2 LEU 40 3HD2 LEU 40 37.965 -4.989 19.773 308 H GLY 41 H GLY 41 41.283 -4.223 15.496 309 1HA GLY 41 1HA GLY 41 40.903 -5.376 13.472 310 2HA GLY 41 2HA GLY 41 42.538 -5.972 13.759 311 H GLU 42 H GLU 42 39.136 -6.725 14.019 312 HA GLU 42 HA GLU 42 39.239 -9.112 15.523 313 1HB GLU 42 1HB GLU 42 37.452 -8.095 13.340 314 2HB GLU 42 2HB GLU 42 37.279 -9.766 13.878 315 1HG GLU 42 1HG GLU 42 37.470 -8.368 16.260 316 2HG GLU 42 2HG GLU 42 36.521 -7.285 15.241 317 H LYS 43 H LYS 43 40.503 -8.434 12.384 318 HA LYS 43 HA LYS 43 41.184 -11.328 12.093 319 1HB LYS 43 1HB LYS 43 39.780 -9.545 10.200 320 2HB LYS 43 2HB LYS 43 41.106 -10.473 9.496 321 1HG LYS 43 1HG LYS 43 38.920 -11.700 11.197 322 2HG LYS 43 2HG LYS 43 38.878 -11.657 9.435 323 1HD LYS 43 1HD LYS 43 41.326 -12.689 9.726 324 2HD LYS 43 2HD LYS 43 40.637 -13.245 11.251 325 1HE LYS 43 1HE LYS 43 40.236 -14.963 9.599 326 2HE LYS 43 2HE LYS 43 38.694 -14.181 9.945 327 1HZ LYS 43 1HZ LYS 43 40.468 -13.473 7.672 328 2HZ LYS 43 2HZ LYS 43 39.114 -14.488 7.553 329 3HZ LYS 43 3HZ LYS 43 38.915 -12.855 7.978 Start of MODEL 13 1 1H ACE 1 HA1 ACE 1 32.136 -0.406 1.124 2 2H ACE 1 HA2 ACE 1 30.425 0.023 1.121 3 3H ACE 1 HA3 ACE 1 30.990 -1.356 0.178 4 H ARG 2 H ARG 2 32.846 -1.990 2.552 5 HA ARG 2 HA ARG 2 30.955 -3.774 3.891 6 1HB ARG 2 1HB ARG 2 33.802 -3.340 4.775 7 2HB ARG 2 2HB ARG 2 32.841 -4.819 4.823 8 1HG ARG 2 1HG ARG 2 32.891 -4.113 2.118 9 2HG ARG 2 2HG ARG 2 34.531 -3.797 2.686 10 1HD ARG 2 1HD ARG 2 33.686 -6.255 3.850 11 2HD ARG 2 2HD ARG 2 33.302 -6.325 2.130 12 HE ARG 2 HE ARG 2 35.670 -5.999 1.642 13 1HH1 ARG 2 1HH1 ARG 2 35.270 -5.206 4.881 14 2HH1 ARG 2 2HH1 ARG 2 36.671 -6.054 5.445 15 1HH2 ARG 2 1HH2 ARG 2 37.302 -7.577 2.395 16 2HH2 ARG 2 2HH2 ARG 2 37.822 -7.396 4.038 17 H TYR 3 H TYR 3 30.967 -3.861 6.353 18 HA TYR 3 HA TYR 3 30.249 -2.746 8.302 19 1HB TYR 3 1HB TYR 3 32.859 -1.442 7.540 20 2HB TYR 3 2HB TYR 3 31.984 -0.934 8.984 21 HD1 TYR 3 HD1 TYR 3 32.459 -4.299 7.398 22 HD2 TYR 3 HD2 TYR 3 33.058 -1.828 10.860 23 HE1 TYR 3 HE1 TYR 3 33.364 -6.250 8.634 24 HE2 TYR 3 HE2 TYR 3 33.963 -3.778 12.096 25 HH TYR 3 HH TYR 3 35.050 -5.958 11.546 26 HA PRO 4 HA PRO 4 28.449 0.913 6.003 27 1HB PRO 4 1HB PRO 4 26.100 -0.218 5.210 28 2HB PRO 4 2HB PRO 4 27.576 -0.275 4.233 29 1HG PRO 4 1HG PRO 4 26.220 -2.440 5.648 30 2HG PRO 4 2HG PRO 4 27.478 -2.527 4.405 31 1HD PRO 4 1HD PRO 4 27.765 -2.786 7.284 32 2HD PRO 4 2HD PRO 4 28.979 -3.039 6.021 33 H TYR 5 H TYR 5 26.470 -1.520 7.737 34 HA TYR 5 HA TYR 5 24.479 0.090 8.793 35 1HB TYR 5 1HB TYR 5 25.074 -2.467 9.154 36 2HB TYR 5 2HB TYR 5 25.806 -1.861 10.639 37 HD1 TYR 5 HD1 TYR 5 22.635 -1.733 8.651 38 HD2 TYR 5 HD2 TYR 5 24.471 -1.412 12.522 39 HE1 TYR 5 HE1 TYR 5 20.393 -1.600 9.704 40 HE2 TYR 5 HE2 TYR 5 22.229 -1.278 13.574 41 HH TYR 5 HH TYR 5 19.606 -2.251 12.441 42 H TYR 6 H TYR 6 27.830 -0.171 9.930 43 HA TYR 6 HA TYR 6 27.272 1.682 12.162 44 1HB TYR 6 1HB TYR 6 29.089 -0.370 11.823 45 2HB TYR 6 2HB TYR 6 30.084 1.067 11.586 46 HD1 TYR 6 HD1 TYR 6 30.049 2.896 13.347 47 HD2 TYR 6 HD2 TYR 6 28.308 -0.979 13.982 48 HE1 TYR 6 HE1 TYR 6 30.064 3.290 15.796 49 HE2 TYR 6 HE2 TYR 6 28.324 -0.586 16.430 50 HH TYR 6 HH TYR 6 29.985 2.112 17.847 51 H LEU 7 H LEU 7 29.252 1.644 9.188 52 HA LEU 7 HA LEU 7 30.085 4.408 9.543 53 1HB LEU 7 1HB LEU 7 31.306 2.546 8.242 54 2HB LEU 7 2HB LEU 7 30.160 2.879 6.943 55 HG LEU 7 HG LEU 7 31.186 5.374 7.924 56 1HD1 LEU 7 1HD1 LEU 7 33.063 3.455 8.407 57 2HD1 LEU 7 2HD1 LEU 7 33.458 3.889 6.743 58 3HD1 LEU 7 3HD1 LEU 7 33.454 5.126 8.000 59 1HD2 LEU 7 1HD2 LEU 7 30.744 3.920 5.448 60 2HD2 LEU 7 2HD2 LEU 7 30.755 5.661 5.727 61 3HD2 LEU 7 3HD2 LEU 7 32.264 4.812 5.390 62 H SER 8 H SER 8 28.120 2.912 6.938 63 HA SER 8 HA SER 8 27.141 5.170 5.708 64 1HB SER 8 1HB SER 8 25.572 2.676 6.418 65 2HB SER 8 2HB SER 8 25.040 3.887 5.254 66 HG SER 8 HG SER 8 26.794 3.408 3.982 67 H ASP 9 H ASP 9 26.243 3.989 8.889 68 HA ASP 9 HA ASP 9 23.849 5.327 9.378 69 1HB ASP 9 1HB ASP 9 25.887 4.130 10.946 70 2HB ASP 9 2HB ASP 9 25.576 5.720 11.644 71 H ILE 10 H ILE 10 26.803 6.778 10.720 72 HA ILE 10 HA ILE 10 25.714 9.417 10.665 73 HB ILE 10 HB ILE 10 28.014 8.148 11.701 74 1HG1 ILE 10 1HG1 ILE 10 26.993 10.994 11.842 75 2HG1 ILE 10 2HG1 ILE 10 26.627 9.673 12.952 76 1HG2 ILE 10 1HG2 ILE 10 29.267 8.904 9.697 77 2HG2 ILE 10 2HG2 ILE 10 28.771 10.564 10.029 78 3HG2 ILE 10 3HG2 ILE 10 29.825 9.716 11.160 79 1HD1 ILE 10 1HD1 ILE 10 29.293 9.614 13.157 80 2HD1 ILE 10 2HD1 ILE 10 29.110 11.310 12.708 81 3HD1 ILE 10 3HD1 ILE 10 28.312 10.689 14.153 82 H THR 11 H THR 11 27.583 7.614 8.299 83 HA THR 11 HA THR 11 27.968 10.013 6.631 84 HB THR 11 HB THR 11 29.328 8.642 5.235 85 HG1 THR 11 HG1 THR 11 29.153 6.472 5.181 86 1HG2 THR 11 1HG2 THR 11 30.040 9.046 7.723 87 2HG2 THR 11 2HG2 THR 11 29.781 7.309 7.888 88 3HG2 THR 11 3HG2 THR 11 30.966 7.917 6.733 89 H ASP 12 H ASP 12 25.255 9.119 7.194 90 HA ASP 12 HA ASP 12 24.272 7.737 4.826 91 1HB ASP 12 1HB ASP 12 23.072 8.961 7.271 92 2HB ASP 12 2HB ASP 12 22.028 8.747 5.866 93 H ALA 13 H ALA 13 23.196 10.910 6.043 94 HA ALA 13 HA ALA 13 23.090 11.814 3.212 95 1HB ALA 13 1HB ALA 13 21.564 12.625 5.680 96 2HB ALA 13 2HB ALA 13 21.573 13.628 4.230 97 3HB ALA 13 3HB ALA 13 20.935 11.986 4.162 98 H PHE 14 H PHE 14 24.625 12.458 6.262 99 HA PHE 14 HA PHE 14 25.347 15.198 5.730 100 1HB PHE 14 1HB PHE 14 25.713 13.339 7.841 101 2HB PHE 14 2HB PHE 14 27.319 13.895 7.368 102 HD1 PHE 14 HD1 PHE 14 27.654 16.448 7.073 103 HD2 PHE 14 HD2 PHE 14 24.327 14.709 9.163 104 HE1 PHE 14 HE1 PHE 14 27.245 18.607 8.220 105 HE2 PHE 14 HE2 PHE 14 23.920 16.871 10.310 106 HZ PHE 14 HZ PHE 14 25.378 18.819 9.837 107 H SER 15 H SER 15 26.286 12.417 4.133 108 HA SER 15 HA SER 15 28.594 13.832 2.965 109 1HB SER 15 1HB SER 15 29.084 12.050 4.968 110 2HB SER 15 2HB SER 15 29.132 10.989 3.564 111 HG SER 15 HG SER 15 30.958 12.747 4.408 112 HA PRO 16 HA PRO 16 26.177 11.416 -0.170 113 1HB PRO 16 1HB PRO 16 24.965 13.546 -1.365 114 2HB PRO 16 2HB PRO 16 24.280 12.712 0.039 115 1HG PRO 16 1HG PRO 16 25.404 15.394 -0.128 116 2HG PRO 16 2HG PRO 16 24.464 14.656 1.178 117 1HD PRO 16 1HD PRO 16 27.359 14.997 0.978 118 2HD PRO 16 2HD PRO 16 26.389 14.511 2.377 119 H GLN 17 H GLN 17 27.076 14.752 -1.105 120 HA GLN 17 HA GLN 17 28.047 14.129 -3.670 121 1HB GLN 17 1HB GLN 17 28.476 16.352 -1.739 122 2HB GLN 17 2HB GLN 17 29.655 16.204 -3.043 123 1HG GLN 17 1HG GLN 17 28.173 16.900 -4.606 124 2HG GLN 17 2HG GLN 17 26.889 15.876 -3.959 125 1HE2 GLN 17 2HE2 GLN 17 25.496 17.877 -4.342 126 2HE2 GLN 17 1HE2 GLN 17 25.477 19.079 -3.143 127 H VAL 18 H VAL 18 29.980 14.575 -0.715 128 HA VAL 18 HA VAL 18 32.440 13.662 -1.821 129 HB VAL 18 HB VAL 18 31.405 13.517 1.016 130 1HG1 VAL 18 1HG1 VAL 18 33.830 12.476 -0.228 131 2HG1 VAL 18 2HG1 VAL 18 34.188 13.633 1.054 132 3HG1 VAL 18 3HG1 VAL 18 33.207 12.208 1.399 133 1HG2 VAL 18 1HG2 VAL 18 31.793 15.761 -0.316 134 2HG2 VAL 18 2HG2 VAL 18 32.376 15.612 1.342 135 3HG2 VAL 18 3HG2 VAL 18 33.494 15.411 -0.007 136 H LEU 19 H LEU 19 29.662 11.902 -0.491 137 HA LEU 19 HA LEU 19 30.727 9.363 -0.084 138 1HB LEU 19 1HB LEU 19 28.198 10.290 -0.229 139 2HB LEU 19 2HB LEU 19 28.280 9.470 -1.787 140 HG LEU 19 HG LEU 19 29.249 7.470 -0.474 141 1HD1 LEU 19 1HD1 LEU 19 29.628 8.866 1.600 142 2HD1 LEU 19 2HD1 LEU 19 27.877 8.909 1.812 143 3HD1 LEU 19 3HD1 LEU 19 28.736 7.370 1.881 144 1HD2 LEU 19 1HD2 LEU 19 26.731 8.090 -1.289 145 2HD2 LEU 19 2HD2 LEU 19 27.145 6.567 -0.502 146 3HD2 LEU 19 3HD2 LEU 19 26.457 7.889 0.442 147 H ALA 20 H ALA 20 29.906 10.887 -3.183 148 HA ALA 20 HA ALA 20 30.670 8.642 -4.821 149 1HB ALA 20 1HB ALA 20 29.438 11.038 -5.287 150 2HB ALA 20 2HB ALA 20 31.044 11.348 -5.948 151 3HB ALA 20 3HB ALA 20 30.084 10.000 -6.558 152 H ALA 21 H ALA 21 32.363 11.684 -4.050 153 HA ALA 21 HA ALA 21 34.802 11.175 -5.367 154 1HB ALA 21 1HB ALA 21 33.942 13.243 -3.965 155 2HB ALA 21 2HB ALA 21 34.784 12.444 -2.637 156 3HB ALA 21 3HB ALA 21 35.674 12.931 -4.080 157 H VAL 22 H VAL 22 34.173 10.596 -1.927 158 HA VAL 22 HA VAL 22 36.487 9.173 -1.289 159 HB VAL 22 HB VAL 22 33.676 9.181 -0.220 160 1HG1 VAL 22 1HG1 VAL 22 35.761 7.102 0.285 161 2HG1 VAL 22 2HG1 VAL 22 34.869 7.712 1.679 162 3HG1 VAL 22 3HG1 VAL 22 34.003 6.968 0.335 163 1HG2 VAL 22 1HG2 VAL 22 36.371 10.203 0.504 164 2HG2 VAL 22 2HG2 VAL 22 34.784 10.928 0.764 165 3HG2 VAL 22 3HG2 VAL 22 35.365 9.665 1.849 166 H ILE 23 H ILE 23 33.461 7.950 -2.745 167 HA ILE 23 HA ILE 23 34.250 5.183 -2.659 168 HB ILE 23 HB ILE 23 32.267 6.694 -4.375 169 1HG1 ILE 23 1HG1 ILE 23 31.866 4.610 -2.209 170 2HG1 ILE 23 2HG1 ILE 23 31.849 6.347 -1.902 171 1HG2 ILE 23 1HG2 ILE 23 32.953 3.743 -4.326 172 2HG2 ILE 23 2HG2 ILE 23 31.432 4.367 -4.965 173 3HG2 ILE 23 3HG2 ILE 23 32.959 4.824 -5.721 174 1HD1 ILE 23 1HD1 ILE 23 30.021 4.907 -3.848 175 2HD1 ILE 23 2HD1 ILE 23 29.559 5.448 -2.234 176 3HD1 ILE 23 3HD1 ILE 23 29.984 6.630 -3.471 177 H PHE 24 H PHE 24 34.909 7.798 -4.890 178 HA PHE 24 HA PHE 24 35.807 6.299 -7.130 179 1HB PHE 24 1HB PHE 24 35.542 8.881 -6.827 180 2HB PHE 24 2HB PHE 24 37.181 8.824 -6.184 181 HD1 PHE 24 HD1 PHE 24 35.579 6.843 -8.926 182 HD2 PHE 24 HD2 PHE 24 38.585 9.715 -7.846 183 HE1 PHE 24 HE1 PHE 24 36.483 6.763 -11.234 184 HE2 PHE 24 HE2 PHE 24 39.490 9.635 -10.154 185 HZ PHE 24 HZ PHE 24 38.439 8.159 -11.848 186 H ILE 25 H ILE 25 37.626 7.514 -4.302 187 HA ILE 25 HA ILE 25 40.080 6.171 -5.015 188 HB ILE 25 HB ILE 25 39.087 7.006 -2.265 189 1HG1 ILE 25 1HG1 ILE 25 41.091 8.707 -3.495 190 2HG1 ILE 25 2HG1 ILE 25 39.661 8.593 -4.522 191 1HG2 ILE 25 1HG2 ILE 25 41.537 5.756 -3.264 192 2HG2 ILE 25 2HG2 ILE 25 41.852 7.261 -2.400 193 3HG2 ILE 25 3HG2 ILE 25 40.977 5.953 -1.603 194 1HD1 ILE 25 1HD1 ILE 25 38.564 8.865 -2.003 195 2HD1 ILE 25 2HD1 ILE 25 39.987 9.904 -1.915 196 3HD1 ILE 25 3HD1 ILE 25 38.773 10.176 -3.165 197 H TYR 26 H TYR 26 37.218 5.255 -3.104 198 HA TYR 26 HA TYR 26 38.271 2.777 -2.098 199 1HB TYR 26 1HB TYR 26 35.486 3.798 -2.666 200 2HB TYR 26 2HB TYR 26 35.744 2.133 -2.153 201 HD1 TYR 26 HD1 TYR 26 37.738 5.102 -1.113 202 HD2 TYR 26 HD2 TYR 26 34.802 2.185 0.036 203 HE1 TYR 26 HE1 TYR 26 37.913 5.853 1.243 204 HE2 TYR 26 HE2 TYR 26 34.978 2.936 2.392 205 HH TYR 26 HH TYR 26 37.130 5.631 3.304 206 H PHE 27 H PHE 27 37.244 3.869 -5.184 207 HA PHE 27 HA PHE 27 36.786 1.221 -6.339 208 1HB PHE 27 1HB PHE 27 36.474 4.019 -7.119 209 2HB PHE 27 2HB PHE 27 37.234 3.072 -8.399 210 HD1 PHE 27 HD1 PHE 27 34.737 2.034 -5.813 211 HD2 PHE 27 HD2 PHE 27 35.535 2.675 -9.984 212 HE1 PHE 27 HE1 PHE 27 32.535 1.048 -6.386 213 HE2 PHE 27 HE2 PHE 27 33.333 1.689 -10.557 214 HZ PHE 27 HZ PHE 27 31.833 0.876 -8.759 215 H ALA 28 H ALA 28 39.302 3.634 -6.100 216 HA ALA 28 HA ALA 28 41.163 2.539 -7.972 217 1HB ALA 28 1HB ALA 28 41.162 4.520 -5.796 218 2HB ALA 28 2HB ALA 28 42.711 3.704 -6.001 219 3HB ALA 28 3HB ALA 28 41.984 4.569 -7.355 220 H ALA 29 H ALA 29 41.092 2.257 -4.408 221 HA ALA 29 HA ALA 29 43.126 0.245 -4.258 222 1HB ALA 29 1HB ALA 29 41.123 1.439 -2.436 223 2HB ALA 29 2HB ALA 29 41.652 -0.189 -2.012 224 3HB ALA 29 3HB ALA 29 42.835 1.111 -2.167 225 H LEU 30 H LEU 30 39.580 -0.070 -3.916 226 HA LEU 30 HA LEU 30 39.748 -2.983 -4.089 227 1HB LEU 30 1HB LEU 30 37.443 -1.035 -3.944 228 2HB LEU 30 2HB LEU 30 37.204 -2.775 -4.117 229 HG LEU 30 HG LEU 30 39.060 -2.602 -2.068 230 1HD1 LEU 30 1HD1 LEU 30 37.434 -0.143 -2.193 231 2HD1 LEU 30 2HD1 LEU 30 37.414 -0.952 -0.626 232 3HD1 LEU 30 3HD1 LEU 30 38.947 -0.450 -1.340 233 1HD2 LEU 30 1HD2 LEU 30 36.073 -2.955 -2.199 234 2HD2 LEU 30 2HD2 LEU 30 37.317 -4.161 -1.871 235 3HD2 LEU 30 3HD2 LEU 30 36.895 -2.973 -0.639 236 H SER 31 H SER 31 40.536 -1.169 -6.451 237 HA SER 31 HA SER 31 38.638 -1.482 -8.539 238 1HB SER 31 1HB SER 31 41.031 -0.242 -8.340 239 2HB SER 31 2HB SER 31 41.509 -1.672 -9.250 240 HG SER 31 HG SER 31 40.743 -0.578 -10.879 241 HA PRO 32 HA PRO 32 40.853 -5.683 -9.404 242 1HB PRO 32 1HB PRO 32 42.970 -6.334 -7.811 243 2HB PRO 32 2HB PRO 32 43.117 -5.324 -9.258 244 1HG PRO 32 1HG PRO 32 43.393 -4.567 -6.457 245 2HG PRO 32 2HG PRO 32 43.828 -3.656 -7.911 246 1HD PRO 32 1HD PRO 32 41.458 -3.387 -6.240 247 2HD PRO 32 2HD PRO 32 42.005 -2.337 -7.559 248 H ALA 33 H ALA 33 39.787 -4.751 -6.331 249 HA ALA 33 HA ALA 33 39.871 -7.380 -5.068 250 1HB ALA 33 1HB ALA 33 39.008 -4.678 -4.352 251 2HB ALA 33 2HB ALA 33 37.899 -5.917 -3.767 252 3HB ALA 33 3HB ALA 33 39.602 -5.974 -3.314 253 H ILE 34 H ILE 34 37.587 -5.574 -7.038 254 HA ILE 34 HA ILE 34 35.500 -7.616 -6.605 255 HB ILE 34 HB ILE 34 34.367 -6.107 -8.475 256 1HG1 ILE 34 1HG1 ILE 34 36.348 -4.197 -7.199 257 2HG1 ILE 34 2HG1 ILE 34 36.500 -4.818 -8.842 258 1HG2 ILE 34 1HG2 ILE 34 33.869 -6.420 -5.945 259 2HG2 ILE 34 2HG2 ILE 34 34.718 -4.888 -5.743 260 3HG2 ILE 34 3HG2 ILE 34 33.265 -4.965 -6.739 261 1HD1 ILE 34 1HD1 ILE 34 33.885 -3.604 -8.073 262 2HD1 ILE 34 2HD1 ILE 34 35.246 -2.510 -8.321 263 3HD1 ILE 34 3HD1 ILE 34 34.722 -3.576 -9.625 264 H THR 35 H THR 35 37.867 -6.661 -9.008 265 HA THR 35 HA THR 35 36.743 -8.320 -11.119 266 HB THR 35 HB THR 35 39.466 -7.967 -11.672 267 HG1 THR 35 HG1 THR 35 39.460 -5.586 -11.242 268 1HG2 THR 35 1HG2 THR 35 36.893 -7.100 -12.617 269 2HG2 THR 35 2HG2 THR 35 38.028 -5.753 -12.699 270 3HG2 THR 35 3HG2 THR 35 38.398 -7.269 -13.520 271 H PHE 36 H PHE 36 38.806 -8.841 -8.382 272 HA PHE 36 HA PHE 36 40.362 -11.036 -9.090 273 1HB PHE 36 1HB PHE 36 39.979 -9.871 -6.768 274 2HB PHE 36 2HB PHE 36 38.766 -11.129 -6.540 275 HD1 PHE 36 HD1 PHE 36 42.354 -10.621 -7.476 276 HD2 PHE 36 HD2 PHE 36 39.406 -13.286 -5.844 277 HE1 PHE 36 HE1 PHE 36 44.142 -12.232 -6.875 278 HE2 PHE 36 HE2 PHE 36 41.195 -14.896 -5.242 279 HZ PHE 36 HZ PHE 36 43.562 -14.368 -5.757 280 H GLY 37 H GLY 37 37.108 -11.400 -7.624 281 1HA GLY 37 1HA GLY 37 35.458 -13.027 -7.997 282 2HA GLY 37 2HA GLY 37 36.096 -13.148 -9.637 283 H GLY 38 H GLY 38 36.945 -14.155 -6.303 284 1HA GLY 38 1HA GLY 38 37.124 -16.920 -6.932 285 2HA GLY 38 2HA GLY 38 38.739 -16.230 -7.087 286 H LEU 39 H LEU 39 36.355 -15.051 -4.778 287 HA LEU 39 HA LEU 39 38.254 -15.660 -2.601 288 1HB LEU 39 1HB LEU 39 35.682 -14.067 -2.731 289 2HB LEU 39 2HB LEU 39 36.577 -14.330 -1.234 290 HG LEU 39 HG LEU 39 38.595 -13.501 -2.842 291 1HD1 LEU 39 1HD1 LEU 39 36.190 -12.878 -4.267 292 2HD1 LEU 39 2HD1 LEU 39 36.916 -11.367 -3.719 293 3HD1 LEU 39 3HD1 LEU 39 37.853 -12.488 -4.707 294 1HD2 LEU 39 1HD2 LEU 39 36.832 -12.297 -0.836 295 2HD2 LEU 39 2HD2 LEU 39 38.586 -12.197 -0.989 296 3HD2 LEU 39 3HD2 LEU 39 37.557 -11.100 -1.909 297 H LEU 40 H LEU 40 37.958 -17.999 -2.552 298 HA LEU 40 HA LEU 40 35.292 -19.091 -2.031 299 1HB LEU 40 1HB LEU 40 38.075 -20.261 -2.112 300 2HB LEU 40 2HB LEU 40 36.711 -21.205 -1.515 301 HG LEU 40 HG LEU 40 36.930 -21.704 -3.854 302 1HD1 LEU 40 1HD1 LEU 40 34.616 -20.788 -2.766 303 2HD1 LEU 40 2HD1 LEU 40 34.785 -19.681 -4.129 304 3HD1 LEU 40 3HD1 LEU 40 34.736 -21.422 -4.407 305 1HD2 LEU 40 1HD2 LEU 40 38.010 -19.156 -4.032 306 2HD2 LEU 40 2HD2 LEU 40 37.659 -20.217 -5.397 307 3HD2 LEU 40 3HD2 LEU 40 36.481 -19.003 -4.898 308 H GLY 41 H GLY 41 38.101 -18.137 -0.129 309 1HA GLY 41 1HA GLY 41 38.392 -17.981 2.195 310 2HA GLY 41 2HA GLY 41 36.639 -17.802 2.273 311 H GLU 42 H GLU 42 37.856 -19.175 4.308 312 HA GLU 42 HA GLU 42 37.947 -22.037 3.790 313 1HB GLU 42 1HB GLU 42 38.233 -20.255 6.155 314 2HB GLU 42 2HB GLU 42 37.709 -21.909 6.474 315 1HG GLU 42 1HG GLU 42 39.685 -22.833 5.703 316 2HG GLU 42 2HG GLU 42 40.004 -21.494 4.601 317 H LYS 43 H LYS 43 35.475 -19.741 4.640 318 HA LYS 43 HA LYS 43 33.561 -21.201 5.994 319 1HB LYS 43 1HB LYS 43 33.448 -18.824 4.858 320 2HB LYS 43 2HB LYS 43 32.686 -19.715 3.538 321 1HG LYS 43 1HG LYS 43 31.610 -20.542 6.105 322 2HG LYS 43 2HG LYS 43 31.433 -18.802 5.876 323 1HD LYS 43 1HD LYS 43 30.565 -20.933 3.900 324 2HD LYS 43 2HD LYS 43 29.490 -20.013 4.953 325 1HE LYS 43 1HE LYS 43 30.480 -17.910 3.880 326 2HE LYS 43 2HE LYS 43 31.179 -18.984 2.668 327 1HZ LYS 43 1HZ LYS 43 28.292 -18.883 3.349 328 2HZ LYS 43 2HZ LYS 43 28.993 -18.068 2.034 329 3HZ LYS 43 3HZ LYS 43 29.011 -19.763 2.087 Start of MODEL 14 1 1H ACE 1 HA1 ACE 1 26.795 -8.397 3.972 2 2H ACE 1 HA2 ACE 1 26.881 -7.668 5.576 3 3H ACE 1 HA3 ACE 1 26.468 -6.676 4.177 4 H ARG 2 H ARG 2 24.921 -7.203 6.682 5 HA ARG 2 HA ARG 2 22.446 -8.251 5.368 6 1HB ARG 2 1HB ARG 2 23.605 -9.696 7.241 7 2HB ARG 2 2HB ARG 2 22.876 -8.515 8.330 8 1HG ARG 2 1HG ARG 2 20.748 -9.240 7.908 9 2HG ARG 2 2HG ARG 2 21.096 -9.596 6.216 10 1HD ARG 2 1HD ARG 2 21.154 -11.773 6.810 11 2HD ARG 2 2HD ARG 2 22.679 -11.411 7.619 12 HE ARG 2 HE ARG 2 20.112 -11.876 8.930 13 1HH1 ARG 2 1HH1 ARG 2 23.320 -12.050 9.477 14 2HH1 ARG 2 2HH1 ARG 2 23.326 -11.274 11.025 15 1HH2 ARG 2 1HH2 ARG 2 20.054 -10.147 10.768 16 2HH2 ARG 2 2HH2 ARG 2 21.475 -10.196 11.758 17 H TYR 3 H TYR 3 23.675 -6.269 8.077 18 HA TYR 3 HA TYR 3 21.440 -4.930 8.925 19 1HB TYR 3 1HB TYR 3 24.267 -4.106 8.523 20 2HB TYR 3 2HB TYR 3 23.101 -2.808 8.775 21 HD1 TYR 3 HD1 TYR 3 22.466 -6.136 10.166 22 HD2 TYR 3 HD2 TYR 3 24.096 -2.244 10.971 23 HE1 TYR 3 HE1 TYR 3 22.442 -6.629 12.596 24 HE2 TYR 3 HE2 TYR 3 24.072 -2.737 13.401 25 HH TYR 3 HH TYR 3 23.484 -4.185 14.976 26 HA PRO 4 HA PRO 4 20.108 -3.202 4.929 27 1HB PRO 4 1HB PRO 4 17.471 -3.750 5.356 28 2HB PRO 4 2HB PRO 4 18.614 -4.937 4.705 29 1HG PRO 4 1HG PRO 4 17.315 -4.869 7.323 30 2HG PRO 4 2HG PRO 4 18.161 -6.203 6.523 31 1HD PRO 4 1HD PRO 4 19.150 -4.433 8.594 32 2HD PRO 4 2HD PRO 4 19.937 -5.852 7.886 33 H TYR 5 H TYR 5 19.104 -2.619 8.233 34 HA TYR 5 HA TYR 5 17.687 -0.135 7.514 35 1HB TYR 5 1HB TYR 5 17.306 -1.946 9.523 36 2HB TYR 5 2HB TYR 5 18.252 -0.714 10.358 37 HD1 TYR 5 HD1 TYR 5 17.490 1.763 10.035 38 HD2 TYR 5 HD2 TYR 5 14.999 -1.640 9.213 39 HE1 TYR 5 HE1 TYR 5 15.474 3.197 10.203 40 HE2 TYR 5 HE2 TYR 5 12.984 -0.204 9.379 41 HH TYR 5 HH TYR 5 12.513 2.148 10.704 42 H TYR 6 H TYR 6 20.849 -1.122 8.215 43 HA TYR 6 HA TYR 6 21.656 1.435 9.450 44 1HB TYR 6 1HB TYR 6 22.603 -1.061 9.793 45 2HB TYR 6 2HB TYR 6 23.681 -0.530 8.501 46 HD1 TYR 6 HD1 TYR 6 22.456 0.275 11.918 47 HD2 TYR 6 HD2 TYR 6 25.401 1.081 8.896 48 HE1 TYR 6 HE1 TYR 6 23.779 1.582 13.557 49 HE2 TYR 6 HE2 TYR 6 26.725 2.390 10.536 50 HH TYR 6 HH TYR 6 26.038 3.723 12.804 51 H LEU 7 H LEU 7 22.202 -0.337 6.409 52 HA LEU 7 HA LEU 7 23.716 1.927 5.304 53 1HB LEU 7 1HB LEU 7 23.229 -0.883 4.602 54 2HB LEU 7 2HB LEU 7 23.254 0.203 3.211 55 HG LEU 7 HG LEU 7 25.521 -0.643 3.709 56 1HD1 LEU 7 1HD1 LEU 7 24.751 2.007 3.300 57 2HD1 LEU 7 2HD1 LEU 7 25.920 2.102 4.617 58 3HD1 LEU 7 3HD1 LEU 7 26.375 1.354 3.086 59 1HD2 LEU 7 1HD2 LEU 7 24.668 -0.076 6.406 60 2HD2 LEU 7 2HD2 LEU 7 26.112 -0.933 5.866 61 3HD2 LEU 7 3HD2 LEU 7 26.147 0.819 6.059 62 H SER 8 H SER 8 20.547 0.403 4.848 63 HA SER 8 HA SER 8 19.854 2.220 2.664 64 1HB SER 8 1HB SER 8 18.063 0.341 4.218 65 2HB SER 8 2HB SER 8 17.708 1.081 2.660 66 HG SER 8 HG SER 8 20.055 -0.428 2.995 67 H ASP 9 H ASP 9 20.380 3.207 5.578 68 HA ASP 9 HA ASP 9 17.740 4.381 6.161 69 1HB ASP 9 1HB ASP 9 19.058 5.451 8.097 70 2HB ASP 9 2HB ASP 9 18.849 3.701 8.136 71 H ILE 10 H ILE 10 20.302 6.485 6.991 72 HA ILE 10 HA ILE 10 19.358 8.401 4.963 73 HB ILE 10 HB ILE 10 21.390 8.840 7.165 74 1HG1 ILE 10 1HG1 ILE 10 19.318 8.062 8.180 75 2HG1 ILE 10 2HG1 ILE 10 19.442 9.804 8.422 76 1HG2 ILE 10 1HG2 ILE 10 20.128 10.495 5.090 77 2HG2 ILE 10 2HG2 ILE 10 19.992 11.178 6.710 78 3HG2 ILE 10 3HG2 ILE 10 21.580 10.802 6.042 79 1HD1 ILE 10 1HD1 ILE 10 17.987 10.169 6.448 80 2HD1 ILE 10 2HD1 ILE 10 17.834 8.423 6.254 81 3HD1 ILE 10 3HD1 ILE 10 17.175 9.211 7.687 82 H THR 11 H THR 11 22.151 6.430 5.668 83 HA THR 11 HA THR 11 24.147 7.803 4.220 84 HB THR 11 HB THR 11 25.222 5.586 3.948 85 HG1 THR 11 HG1 THR 11 22.717 4.687 4.927 86 1HG2 THR 11 1HG2 THR 11 25.316 6.811 6.114 87 2HG2 THR 11 2HG2 THR 11 23.885 5.929 6.646 88 3HG2 THR 11 3HG2 THR 11 25.386 5.061 6.325 89 H ASP 12 H ASP 12 21.458 5.855 3.050 90 HA ASP 12 HA ASP 12 22.259 5.224 0.460 91 1HB ASP 12 1HB ASP 12 19.950 5.248 -0.169 92 2HB ASP 12 2HB ASP 12 19.986 4.793 1.534 93 H ALA 13 H ALA 13 21.264 8.390 1.708 94 HA ALA 13 HA ALA 13 21.743 9.580 -0.963 95 1HB ALA 13 1HB ALA 13 19.725 10.122 0.629 96 2HB ALA 13 2HB ALA 13 20.896 11.157 1.447 97 3HB ALA 13 3HB ALA 13 20.512 11.432 -0.252 98 H PHE 14 H PHE 14 23.128 9.395 2.244 99 HA PHE 14 HA PHE 14 24.791 11.626 2.339 100 1HB PHE 14 1HB PHE 14 24.816 10.091 4.186 101 2HB PHE 14 2HB PHE 14 25.352 8.765 3.153 102 HD1 PHE 14 HD1 PHE 14 26.504 12.321 3.464 103 HD2 PHE 14 HD2 PHE 14 27.523 8.159 3.785 104 HE1 PHE 14 HE1 PHE 14 28.868 12.932 3.897 105 HE2 PHE 14 HE2 PHE 14 29.886 8.773 4.218 106 HZ PHE 14 HZ PHE 14 30.560 11.159 4.273 107 H SER 15 H SER 15 25.507 8.530 0.734 108 HA SER 15 HA SER 15 27.313 10.010 -1.097 109 1HB SER 15 1HB SER 15 28.975 9.114 0.225 110 2HB SER 15 2HB SER 15 27.973 7.762 0.742 111 HG SER 15 HG SER 15 28.722 6.641 -0.867 112 HA PRO 16 HA PRO 16 24.830 7.197 -3.714 113 1HB PRO 16 1HB PRO 16 23.968 9.161 -5.400 114 2HB PRO 16 2HB PRO 16 23.158 8.797 -3.866 115 1HG PRO 16 1HG PRO 16 24.685 11.160 -4.604 116 2HG PRO 16 2HG PRO 16 23.674 10.888 -3.177 117 1HD PRO 16 1HD PRO 16 26.590 10.691 -3.430 118 2HD PRO 16 2HD PRO 16 25.596 10.753 -1.966 119 H GLN 17 H GLN 17 26.064 10.048 -5.446 120 HA GLN 17 HA GLN 17 27.283 8.441 -7.517 121 1HB GLN 17 1HB GLN 17 27.806 11.339 -6.774 122 2HB GLN 17 2HB GLN 17 28.196 10.572 -8.314 123 1HG GLN 17 1HG GLN 17 25.372 10.370 -7.400 124 2HG GLN 17 2HG GLN 17 25.921 11.961 -7.928 125 1HE2 GLN 17 2HE2 GLN 17 27.580 11.467 -10.051 126 2HE2 GLN 17 1HE2 GLN 17 26.777 10.601 -11.270 127 H VAL 18 H VAL 18 28.171 9.480 -4.379 128 HA VAL 18 HA VAL 18 31.062 9.241 -4.761 129 HB VAL 18 HB VAL 18 29.585 9.222 -2.148 130 1HG1 VAL 18 1HG1 VAL 18 32.343 9.853 -3.118 131 2HG1 VAL 18 2HG1 VAL 18 31.729 10.754 -1.732 132 3HG1 VAL 18 3HG1 VAL 18 31.840 8.995 -1.661 133 1HG2 VAL 18 1HG2 VAL 18 29.837 11.393 -4.160 134 2HG2 VAL 18 2HG2 VAL 18 28.602 11.146 -2.926 135 3HG2 VAL 18 3HG2 VAL 18 30.161 11.843 -2.486 136 H LEU 19 H LEU 19 28.390 7.161 -4.020 137 HA LEU 19 HA LEU 19 29.945 5.109 -2.671 138 1HB LEU 19 1HB LEU 19 27.296 5.473 -2.900 139 2HB LEU 19 2HB LEU 19 27.521 4.365 -4.251 140 HG LEU 19 HG LEU 19 28.924 3.608 -1.757 141 1HD1 LEU 19 1HD1 LEU 19 26.141 4.354 -1.697 142 2HD1 LEU 19 2HD1 LEU 19 26.286 2.613 -1.458 143 3HD1 LEU 19 3HD1 LEU 19 27.140 3.724 -0.388 144 1HD2 LEU 19 1HD2 LEU 19 28.093 2.430 -4.180 145 2HD2 LEU 19 2HD2 LEU 19 28.864 1.617 -2.818 146 3HD2 LEU 19 3HD2 LEU 19 27.105 1.678 -2.928 147 H ALA 20 H ALA 20 28.703 5.479 -6.015 148 HA ALA 20 HA ALA 20 30.056 3.173 -7.068 149 1HB ALA 20 1HB ALA 20 28.409 5.242 -8.079 150 2HB ALA 20 2HB ALA 20 29.909 5.316 -9.004 151 3HB ALA 20 3HB ALA 20 28.982 3.818 -8.948 152 H ALA 21 H ALA 21 30.904 6.632 -7.161 153 HA ALA 21 HA ALA 21 33.451 6.488 -8.325 154 1HB ALA 21 1HB ALA 21 32.174 8.561 -7.531 155 2HB ALA 21 2HB ALA 21 32.797 8.207 -5.919 156 3HB ALA 21 3HB ALA 21 33.913 8.575 -7.235 157 H VAL 22 H VAL 22 32.543 6.125 -4.952 158 HA VAL 22 HA VAL 22 34.977 5.797 -3.681 159 HB VAL 22 HB VAL 22 32.254 4.653 -3.250 160 1HG1 VAL 22 1HG1 VAL 22 34.765 3.408 -2.228 161 2HG1 VAL 22 2HG1 VAL 22 33.443 3.613 -1.078 162 3HG1 VAL 22 3HG1 VAL 22 33.195 2.672 -2.548 163 1HG2 VAL 22 1HG2 VAL 22 33.129 6.897 -2.414 164 2HG2 VAL 22 2HG2 VAL 22 32.420 5.852 -1.184 165 3HG2 VAL 22 3HG2 VAL 22 34.172 5.984 -1.327 166 H ILE 23 H ILE 23 33.219 3.311 -5.553 167 HA ILE 23 HA ILE 23 35.195 1.265 -5.070 168 HB ILE 23 HB ILE 23 33.204 1.522 -7.346 169 1HG1 ILE 23 1HG1 ILE 23 32.260 1.486 -4.995 170 2HG1 ILE 23 2HG1 ILE 23 31.759 0.123 -5.997 171 1HG2 ILE 23 1HG2 ILE 23 35.265 -0.456 -6.645 172 2HG2 ILE 23 2HG2 ILE 23 33.661 -1.156 -6.863 173 3HG2 ILE 23 3HG2 ILE 23 34.401 -0.225 -8.165 174 1HD1 ILE 23 1HD1 ILE 23 34.220 -0.591 -4.749 175 2HD1 ILE 23 2HD1 ILE 23 33.163 0.065 -3.500 176 3HD1 ILE 23 3HD1 ILE 23 32.625 -1.297 -4.483 177 H PHE 24 H PHE 24 34.789 3.723 -7.593 178 HA PHE 24 HA PHE 24 36.766 2.824 -9.417 179 1HB PHE 24 1HB PHE 24 35.228 5.176 -9.019 180 2HB PHE 24 2HB PHE 24 36.909 5.700 -9.072 181 HD1 PHE 24 HD1 PHE 24 38.330 4.326 -10.968 182 HD2 PHE 24 HD2 PHE 24 34.115 5.147 -11.052 183 HE1 PHE 24 HE1 PHE 24 38.329 4.069 -13.435 184 HE2 PHE 24 HE2 PHE 24 34.114 4.893 -13.518 185 HZ PHE 24 HZ PHE 24 36.220 4.352 -14.709 186 H ILE 25 H ILE 25 37.119 4.984 -6.587 187 HA ILE 25 HA ILE 25 40.019 5.059 -6.781 188 HB ILE 25 HB ILE 25 38.325 5.584 -4.317 189 1HG1 ILE 25 1HG1 ILE 25 37.563 6.807 -6.444 190 2HG1 ILE 25 2HG1 ILE 25 37.970 7.822 -5.060 191 1HG2 ILE 25 1HG2 ILE 25 41.126 6.105 -5.170 192 2HG2 ILE 25 2HG2 ILE 25 40.324 7.388 -4.263 193 3HG2 ILE 25 3HG2 ILE 25 40.481 5.777 -3.562 194 1HD1 ILE 25 1HD1 ILE 25 40.251 7.193 -6.823 195 2HD1 ILE 25 2HD1 ILE 25 38.990 8.169 -7.577 196 3HD1 ILE 25 3HD1 ILE 25 39.774 8.730 -6.101 197 H TYR 26 H TYR 26 37.650 2.936 -5.327 198 HA TYR 26 HA TYR 26 39.524 1.591 -3.555 199 1HB TYR 26 1HB TYR 26 36.729 1.510 -4.052 200 2HB TYR 26 2HB TYR 26 37.344 -0.112 -4.368 201 HD1 TYR 26 HD1 TYR 26 39.353 -0.730 -2.562 202 HD2 TYR 26 HD2 TYR 26 35.973 1.830 -1.876 203 HE1 TYR 26 HE1 TYR 26 39.547 -1.129 -0.122 204 HE2 TYR 26 HE2 TYR 26 36.166 1.431 0.565 205 HH TYR 26 HH TYR 26 37.193 0.251 2.161 206 H PHE 27 H PHE 27 38.905 1.627 -6.891 207 HA PHE 27 HA PHE 27 39.983 -1.061 -7.422 208 1HB PHE 27 1HB PHE 27 38.160 0.520 -8.726 209 2HB PHE 27 2HB PHE 27 39.627 0.881 -9.634 210 HD1 PHE 27 HD1 PHE 27 38.510 -2.262 -7.936 211 HD2 PHE 27 HD2 PHE 27 39.505 -0.336 -11.642 212 HE1 PHE 27 HE1 PHE 27 38.303 -4.431 -9.119 213 HE2 PHE 27 HE2 PHE 27 39.299 -2.506 -12.827 214 HZ PHE 27 HZ PHE 27 38.697 -4.554 -11.564 215 H ALA 28 H ALA 28 40.807 2.328 -7.629 216 HA ALA 28 HA ALA 28 43.310 2.073 -9.010 217 1HB ALA 28 1HB ALA 28 41.692 4.141 -8.111 218 2HB ALA 28 2HB ALA 28 43.114 4.276 -7.078 219 3HB ALA 28 3HB ALA 28 43.289 4.341 -8.832 220 H ALA 29 H ALA 29 42.625 2.647 -5.563 221 HA ALA 29 HA ALA 29 45.277 2.347 -4.607 222 1HB ALA 29 1HB ALA 29 42.542 2.156 -3.419 223 2HB ALA 29 2HB ALA 29 43.908 1.589 -2.459 224 3HB ALA 29 3HB ALA 29 43.860 3.260 -3.023 225 H LEU 30 H LEU 30 42.643 -0.053 -4.680 226 HA LEU 30 HA LEU 30 44.253 -2.169 -3.619 227 1HB LEU 30 1HB LEU 30 42.267 -3.203 -3.473 228 2HB LEU 30 2HB LEU 30 41.548 -1.784 -4.221 229 HG LEU 30 HG LEU 30 42.323 -3.005 -6.465 230 1HD1 LEU 30 1HD1 LEU 30 43.218 -4.871 -4.727 231 2HD1 LEU 30 2HD1 LEU 30 41.568 -5.453 -4.949 232 3HD1 LEU 30 3HD1 LEU 30 42.635 -5.278 -6.341 233 1HD2 LEU 30 1HD2 LEU 30 39.904 -3.213 -4.758 234 2HD2 LEU 30 2HD2 LEU 30 40.064 -2.654 -6.423 235 3HD2 LEU 30 3HD2 LEU 30 40.026 -4.382 -6.074 236 H SER 31 H SER 31 44.834 -0.720 -6.481 237 HA SER 31 HA SER 31 44.970 -2.458 -8.560 238 1HB SER 31 1HB SER 31 46.314 -0.159 -7.926 239 2HB SER 31 2HB SER 31 47.625 -1.332 -8.001 240 HG SER 31 HG SER 31 47.310 -1.551 -10.082 241 HA PRO 32 HA PRO 32 48.584 -4.967 -6.580 242 1HB PRO 32 1HB PRO 32 49.501 -4.150 -4.142 243 2HB PRO 32 2HB PRO 32 50.081 -3.482 -5.676 244 1HG PRO 32 1HG PRO 32 48.424 -2.226 -3.625 245 2HG PRO 32 2HG PRO 32 49.307 -1.480 -4.966 246 1HD PRO 32 1HD PRO 32 46.487 -2.096 -4.792 247 2HD PRO 32 2HD PRO 32 47.339 -1.235 -6.083 248 H ALA 33 H ALA 33 46.211 -3.844 -4.192 249 HA ALA 33 HA ALA 33 46.323 -6.037 -2.388 250 1HB ALA 33 1HB ALA 33 44.599 -3.811 -2.898 251 2HB ALA 33 2HB ALA 33 43.613 -5.253 -2.671 252 3HB ALA 33 3HB ALA 33 44.757 -4.760 -1.422 253 H ILE 34 H ILE 34 45.263 -5.941 -5.626 254 HA ILE 34 HA ILE 34 43.170 -7.657 -5.940 255 HB ILE 34 HB ILE 34 44.579 -6.770 -7.792 256 1HG1 ILE 34 1HG1 ILE 34 42.896 -8.705 -7.998 257 2HG1 ILE 34 2HG1 ILE 34 44.078 -8.540 -9.294 258 1HG2 ILE 34 1HG2 ILE 34 46.754 -7.506 -6.715 259 2HG2 ILE 34 2HG2 ILE 34 46.375 -9.145 -7.241 260 3HG2 ILE 34 3HG2 ILE 34 46.613 -7.869 -8.434 261 1HD1 ILE 34 1HD1 ILE 34 45.287 -10.180 -7.319 262 2HD1 ILE 34 2HD1 ILE 34 43.642 -10.777 -7.530 263 3HD1 ILE 34 3HD1 ILE 34 44.725 -10.662 -8.916 264 H THR 35 H THR 35 46.482 -8.801 -5.230 265 HA THR 35 HA THR 35 45.463 -11.537 -4.837 266 HB THR 35 HB THR 35 47.615 -11.126 -6.055 267 HG1 THR 35 HG1 THR 35 47.300 -12.714 -3.815 268 1HG2 THR 35 1HG2 THR 35 48.527 -10.213 -3.313 269 2HG2 THR 35 2HG2 THR 35 49.590 -10.500 -4.691 270 3HG2 THR 35 3HG2 THR 35 48.394 -9.206 -4.753 271 H PHE 36 H PHE 36 44.471 -9.683 -3.015 272 HA PHE 36 HA PHE 36 46.054 -9.778 -0.564 273 1HB PHE 36 1HB PHE 36 44.317 -8.509 0.440 274 2HB PHE 36 2HB PHE 36 44.392 -7.930 -1.221 275 HD1 PHE 36 HD1 PHE 36 42.692 -8.667 -2.890 276 HD2 PHE 36 HD2 PHE 36 42.415 -9.738 1.261 277 HE1 PHE 36 HE1 PHE 36 40.316 -9.298 -3.212 278 HE2 PHE 36 HE2 PHE 36 40.038 -10.368 0.939 279 HZ PHE 36 HZ PHE 36 38.989 -10.148 -1.297 280 H GLY 37 H GLY 37 45.324 -10.873 1.405 281 1HA GLY 37 1HA GLY 37 43.345 -13.042 1.041 282 2HA GLY 37 2HA GLY 37 44.998 -13.534 1.414 283 H GLY 38 H GLY 38 42.648 -11.104 2.619 284 1HA GLY 38 1HA GLY 38 41.795 -11.526 4.963 285 2HA GLY 38 2HA GLY 38 43.462 -11.918 5.382 286 H LEU 39 H LEU 39 41.300 -9.290 4.438 287 HA LEU 39 HA LEU 39 43.005 -7.106 4.320 288 1HB LEU 39 1HB LEU 39 40.209 -7.534 5.120 289 2HB LEU 39 2HB LEU 39 40.943 -6.116 5.870 290 HG LEU 39 HG LEU 39 41.526 -6.468 2.988 291 1HD1 LEU 39 1HD1 LEU 39 39.013 -7.092 3.470 292 2HD1 LEU 39 2HD1 LEU 39 38.831 -5.355 3.712 293 3HD1 LEU 39 3HD1 LEU 39 39.398 -5.974 2.162 294 1HD2 LEU 39 1HD2 LEU 39 41.681 -4.463 4.936 295 2HD2 LEU 39 2HD2 LEU 39 41.948 -4.259 3.205 296 3HD2 LEU 39 3HD2 LEU 39 40.351 -3.960 3.892 297 H LEU 40 H LEU 40 43.404 -5.439 6.110 298 HA LEU 40 HA LEU 40 44.614 -6.851 8.394 299 1HB LEU 40 1HB LEU 40 44.777 -4.085 7.246 300 2HB LEU 40 2HB LEU 40 45.235 -4.330 8.933 301 HG LEU 40 HG LEU 40 47.128 -4.555 7.238 302 1HD1 LEU 40 1HD1 LEU 40 46.428 -6.179 9.511 303 2HD1 LEU 40 2HD1 LEU 40 47.332 -7.154 8.353 304 3HD1 LEU 40 3HD1 LEU 40 48.028 -5.660 8.981 305 1HD2 LEU 40 1HD2 LEU 40 45.571 -5.865 5.642 306 2HD2 LEU 40 2HD2 LEU 40 47.219 -6.465 5.831 307 3HD2 LEU 40 3HD2 LEU 40 45.890 -7.254 6.681 308 H GLY 41 H GLY 41 42.437 -4.017 8.045 309 1HA GLY 41 1HA GLY 41 40.318 -3.926 9.290 310 2HA GLY 41 2HA GLY 41 41.063 -4.934 10.532 311 H GLU 42 H GLU 42 43.559 -3.094 9.990 312 HA GLU 42 HA GLU 42 43.018 -1.318 12.228 313 1HB GLU 42 1HB GLU 42 45.280 -2.399 11.497 314 2HB GLU 42 2HB GLU 42 45.379 -1.032 10.385 315 1HG GLU 42 1HG GLU 42 46.277 0.100 12.130 316 2HG GLU 42 2HG GLU 42 44.627 0.176 12.750 317 H LYS 43 H LYS 43 43.781 -0.747 8.773 318 HA LYS 43 HA LYS 43 42.920 2.059 9.047 319 1HB LYS 43 1HB LYS 43 44.144 0.412 6.842 320 2HB LYS 43 2HB LYS 43 43.413 1.977 6.483 321 1HG LYS 43 1HG LYS 43 45.268 1.880 8.807 322 2HG LYS 43 2HG LYS 43 45.996 1.720 7.207 323 1HD LYS 43 1HD LYS 43 45.224 3.828 6.506 324 2HD LYS 43 2HD LYS 43 43.990 3.898 7.765 325 1HE LYS 43 1HE LYS 43 45.467 4.608 9.367 326 2HE LYS 43 2HE LYS 43 46.807 3.683 8.690 327 1HZ LYS 43 1HZ LYS 43 46.044 5.626 6.827 328 2HZ LYS 43 2HZ LYS 43 46.218 6.395 8.329 329 3HZ LYS 43 3HZ LYS 43 47.509 5.503 7.677 Start of MODEL 15 1 1H ACE 1 HA1 ACE 1 32.930 9.165 15.402 2 2H ACE 1 HA2 ACE 1 33.714 7.976 14.362 3 3H ACE 1 HA3 ACE 1 33.851 7.841 16.116 4 H ARG 2 H ARG 2 32.905 5.678 14.626 5 HA ARG 2 HA ARG 2 31.126 4.144 14.610 6 1HB ARG 2 1HB ARG 2 30.347 6.025 16.828 7 2HB ARG 2 2HB ARG 2 29.237 4.755 16.314 8 1HG ARG 2 1HG ARG 2 30.464 3.695 18.005 9 2HG ARG 2 2HG ARG 2 31.319 3.191 16.547 10 1HD ARG 2 1HD ARG 2 33.202 4.230 17.215 11 2HD ARG 2 2HD ARG 2 32.329 5.739 17.483 12 HE ARG 2 HE ARG 2 31.800 3.891 19.627 13 1HH1 ARG 2 1HH1 ARG 2 33.289 6.766 18.795 14 2HH1 ARG 2 2HH1 ARG 2 34.460 6.742 20.071 15 1HH2 ARG 2 1HH2 ARG 2 33.696 3.511 21.072 16 2HH2 ARG 2 2HH2 ARG 2 34.686 4.902 21.365 17 H TYR 3 H TYR 3 31.085 6.933 13.156 18 HA TYR 3 HA TYR 3 28.193 7.174 12.658 19 1HB TYR 3 1HB TYR 3 28.827 9.161 11.323 20 2HB TYR 3 2HB TYR 3 29.458 9.232 12.968 21 HD1 TYR 3 HD1 TYR 3 30.389 8.219 9.487 22 HD2 TYR 3 HD2 TYR 3 31.763 9.494 13.352 23 HE1 TYR 3 HE1 TYR 3 32.696 8.427 8.599 24 HE2 TYR 3 HE2 TYR 3 34.069 9.701 12.463 25 HH TYR 3 HH TYR 3 35.213 9.977 10.366 26 HA PRO 4 HA PRO 4 29.951 5.787 8.341 27 1HB PRO 4 1HB PRO 4 32.094 4.106 8.413 28 2HB PRO 4 2HB PRO 4 32.238 5.866 8.273 29 1HG PRO 4 1HG PRO 4 32.775 4.117 10.587 30 2HG PRO 4 2HG PRO 4 33.445 5.707 10.191 31 1HD PRO 4 1HD PRO 4 31.415 5.164 12.074 32 2HD PRO 4 2HD PRO 4 31.909 6.755 11.478 33 H TYR 5 H TYR 5 30.542 3.356 10.919 34 HA TYR 5 HA TYR 5 29.238 1.302 9.259 35 1HB TYR 5 1HB TYR 5 30.799 1.316 11.809 36 2HB TYR 5 2HB TYR 5 29.697 -0.029 11.512 37 HD1 TYR 5 HD1 TYR 5 29.808 -0.530 8.695 38 HD2 TYR 5 HD2 TYR 5 32.988 0.659 11.325 39 HE1 TYR 5 HE1 TYR 5 31.462 -1.546 7.153 40 HE2 TYR 5 HE2 TYR 5 34.644 -0.358 9.783 41 HH TYR 5 HH TYR 5 34.957 -1.336 7.806 42 H TYR 6 H TYR 6 28.537 3.208 12.154 43 HA TYR 6 HA TYR 6 26.066 1.674 12.635 44 1HB TYR 6 1HB TYR 6 27.764 2.940 14.329 45 2HB TYR 6 2HB TYR 6 26.535 4.188 14.123 46 HD1 TYR 6 HD1 TYR 6 26.342 0.444 14.193 47 HD2 TYR 6 HD2 TYR 6 25.093 4.154 15.961 48 HE1 TYR 6 HE1 TYR 6 24.818 -0.792 15.710 49 HE2 TYR 6 HE2 TYR 6 23.570 2.918 17.479 50 HH TYR 6 HH TYR 6 22.583 -0.140 16.996 51 H LEU 7 H LEU 7 26.799 5.148 12.047 52 HA LEU 7 HA LEU 7 24.074 5.890 11.659 53 1HB LEU 7 1HB LEU 7 26.641 7.152 11.484 54 2HB LEU 7 2HB LEU 7 25.705 7.573 10.049 55 HG LEU 7 HG LEU 7 23.958 7.682 12.310 56 1HD1 LEU 7 1HD1 LEU 7 26.017 7.951 13.658 57 2HD1 LEU 7 2HD1 LEU 7 26.514 9.288 12.621 58 3HD1 LEU 7 3HD1 LEU 7 25.074 9.441 13.627 59 1HD2 LEU 7 1HD2 LEU 7 25.095 9.564 10.266 60 2HD2 LEU 7 2HD2 LEU 7 23.423 9.062 10.511 61 3HD2 LEU 7 3HD2 LEU 7 24.163 10.222 11.611 62 H SER 8 H SER 8 26.568 4.991 9.266 63 HA SER 8 HA SER 8 25.251 5.448 6.879 64 1HB SER 8 1HB SER 8 27.500 4.440 7.031 65 2HB SER 8 2HB SER 8 26.787 2.933 7.595 66 HG SER 8 HG SER 8 25.537 3.025 5.573 67 H ASP 9 H ASP 9 24.332 3.135 9.323 68 HA ASP 9 HA ASP 9 22.868 1.246 7.895 69 1HB ASP 9 1HB ASP 9 22.859 2.281 10.598 70 2HB ASP 9 2HB ASP 9 21.218 1.911 10.074 71 H ILE 10 H ILE 10 21.207 4.051 9.383 72 HA ILE 10 HA ILE 10 19.104 3.806 7.343 73 HB ILE 10 HB ILE 10 19.240 5.898 9.513 74 1HG1 ILE 10 1HG1 ILE 10 17.670 3.602 10.259 75 2HG1 ILE 10 2HG1 ILE 10 19.314 3.082 9.888 76 1HG2 ILE 10 1HG2 ILE 10 17.115 4.607 7.818 77 2HG2 ILE 10 2HG2 ILE 10 16.692 5.302 9.383 78 3HG2 ILE 10 3HG2 ILE 10 17.398 6.320 8.128 79 1HD1 ILE 10 1HD1 ILE 10 19.870 5.297 11.326 80 2HD1 ILE 10 2HD1 ILE 10 18.333 4.852 12.067 81 3HD1 ILE 10 3HD1 ILE 10 19.675 3.708 12.065 82 H THR 11 H THR 11 21.886 5.811 7.925 83 HA THR 11 HA THR 11 20.885 7.931 6.137 84 HB THR 11 HB THR 11 22.772 9.191 6.783 85 HG1 THR 11 HG1 THR 11 23.911 6.735 7.625 86 1HG2 THR 11 1HG2 THR 11 21.139 8.117 8.690 87 2HG2 THR 11 2HG2 THR 11 22.728 7.657 9.301 88 3HG2 THR 11 3HG2 THR 11 22.354 9.355 9.009 89 H ASP 12 H ASP 12 21.329 5.200 5.098 90 HA ASP 12 HA ASP 12 23.777 5.198 3.547 91 1HB ASP 12 1HB ASP 12 22.204 3.207 4.202 92 2HB ASP 12 2HB ASP 12 21.318 3.662 2.746 93 H ALA 13 H ALA 13 20.402 6.090 2.834 94 HA ALA 13 HA ALA 13 20.731 6.572 0.048 95 1HB ALA 13 1HB ALA 13 18.731 7.072 2.066 96 2HB ALA 13 2HB ALA 13 18.907 8.494 1.040 97 3HB ALA 13 3HB ALA 13 18.525 6.929 0.320 98 H PHE 14 H PHE 14 21.768 8.383 2.821 99 HA PHE 14 HA PHE 14 21.946 11.000 1.916 100 1HB PHE 14 1HB PHE 14 22.746 10.677 4.088 101 2HB PHE 14 2HB PHE 14 23.749 9.307 3.621 102 HD1 PHE 14 HD1 PHE 14 23.432 12.855 2.405 103 HD2 PHE 14 HD2 PHE 14 26.006 9.761 3.906 104 HE1 PHE 14 HE1 PHE 14 25.389 14.360 2.156 105 HE2 PHE 14 HE2 PHE 14 27.961 11.265 3.657 106 HZ PHE 14 HZ PHE 14 27.653 13.565 2.783 107 H SER 15 H SER 15 24.073 8.295 1.046 108 HA SER 15 HA SER 15 25.054 9.969 -1.209 109 1HB SER 15 1HB SER 15 26.601 9.010 0.993 110 2HB SER 15 2HB SER 15 27.110 8.141 -0.452 111 HG SER 15 HG SER 15 27.067 10.920 0.054 112 HA PRO 16 HA PRO 16 23.620 5.961 -2.934 113 1HB PRO 16 1HB PRO 16 21.875 7.067 -4.713 114 2HB PRO 16 2HB PRO 16 21.434 6.693 -3.038 115 1HG PRO 16 1HG PRO 16 21.827 9.299 -4.310 116 2HG PRO 16 2HG PRO 16 21.022 8.902 -2.784 117 1HD PRO 16 1HD PRO 16 23.689 9.944 -3.176 118 2HD PRO 16 2HD PRO 16 22.845 9.626 -1.653 119 H GLN 17 H GLN 17 23.766 8.898 -4.988 120 HA GLN 17 HA GLN 17 24.804 7.637 -7.291 121 1HB GLN 17 1HB GLN 17 24.113 10.199 -6.682 122 2HB GLN 17 2HB GLN 17 25.871 10.341 -6.706 123 1HG GLN 17 1HG GLN 17 25.641 8.957 -8.947 124 2HG GLN 17 2HG GLN 17 23.999 9.601 -8.929 125 1HE2 GLN 17 2HE2 GLN 17 27.126 11.106 -7.933 126 2HE2 GLN 17 1HE2 GLN 17 26.972 12.449 -8.960 127 H VAL 18 H VAL 18 26.594 9.328 -4.716 128 HA VAL 18 HA VAL 18 29.208 8.731 -5.617 129 HB VAL 18 HB VAL 18 27.973 9.377 -2.974 130 1HG1 VAL 18 1HG1 VAL 18 30.691 8.146 -3.366 131 2HG1 VAL 18 2HG1 VAL 18 30.429 9.329 -2.084 132 3HG1 VAL 18 3HG1 VAL 18 29.504 7.827 -2.101 133 1HG2 VAL 18 1HG2 VAL 18 28.598 11.142 -4.579 134 2HG2 VAL 18 2HG2 VAL 18 29.571 11.249 -3.112 135 3HG2 VAL 18 3HG2 VAL 18 30.260 10.552 -4.578 136 H LEU 19 H LEU 19 26.970 6.775 -3.640 137 HA LEU 19 HA LEU 19 28.669 4.710 -2.832 138 1HB LEU 19 1HB LEU 19 26.118 4.941 -2.495 139 2HB LEU 19 2HB LEU 19 25.965 4.146 -4.064 140 HG LEU 19 HG LEU 19 25.873 2.551 -2.132 141 1HD1 LEU 19 1HD1 LEU 19 26.916 2.142 -4.533 142 2HD1 LEU 19 2HD1 LEU 19 28.413 1.979 -3.616 143 3HD1 LEU 19 3HD1 LEU 19 27.051 0.910 -3.279 144 1HD2 LEU 19 1HD2 LEU 19 27.725 4.027 -0.943 145 2HD2 LEU 19 2HD2 LEU 19 27.652 2.288 -0.656 146 3HD2 LEU 19 3HD2 LEU 19 28.827 2.945 -1.796 147 H ALA 20 H ALA 20 27.020 5.011 -5.977 148 HA ALA 20 HA ALA 20 28.083 2.674 -7.188 149 1HB ALA 20 1HB ALA 20 27.163 5.337 -8.255 150 2HB ALA 20 2HB ALA 20 27.820 4.112 -9.340 151 3HB ALA 20 3HB ALA 20 26.374 3.766 -8.391 152 H ALA 21 H ALA 21 29.267 6.016 -7.296 153 HA ALA 21 HA ALA 21 31.567 5.726 -8.839 154 1HB ALA 21 1HB ALA 21 31.024 7.417 -6.387 155 2HB ALA 21 2HB ALA 21 32.507 7.574 -7.330 156 3HB ALA 21 3HB ALA 21 30.945 7.910 -8.078 157 H VAL 22 H VAL 22 31.431 5.454 -5.308 158 HA VAL 22 HA VAL 22 34.057 4.665 -4.801 159 HB VAL 22 HB VAL 22 31.465 3.897 -3.434 160 1HG1 VAL 22 1HG1 VAL 22 34.084 2.721 -3.131 161 2HG1 VAL 22 2HG1 VAL 22 33.667 3.615 -1.670 162 3HG1 VAL 22 3HG1 VAL 22 32.598 2.342 -2.260 163 1HG2 VAL 22 1HG2 VAL 22 32.995 6.251 -3.517 164 2HG2 VAL 22 2HG2 VAL 22 31.718 5.867 -2.363 165 3HG2 VAL 22 3HG2 VAL 22 33.399 5.503 -1.972 166 H ILE 23 H ILE 23 31.334 2.652 -5.879 167 HA ILE 23 HA ILE 23 32.854 0.176 -5.646 168 HB ILE 23 HB ILE 23 30.409 0.579 -7.361 169 1HG1 ILE 23 1HG1 ILE 23 30.641 1.235 -4.597 170 2HG1 ILE 23 2HG1 ILE 23 29.174 1.160 -5.563 171 1HG2 ILE 23 1HG2 ILE 23 31.476 -1.743 -5.723 172 2HG2 ILE 23 2HG2 ILE 23 29.975 -1.765 -6.649 173 3HG2 ILE 23 3HG2 ILE 23 31.522 -1.600 -7.480 174 1HD1 ILE 23 1HD1 ILE 23 29.144 -1.349 -5.095 175 2HD1 ILE 23 2HD1 ILE 23 30.414 -1.051 -3.909 176 3HD1 ILE 23 3HD1 ILE 23 28.827 -0.309 -3.706 177 H PHE 24 H PHE 24 32.396 2.589 -8.137 178 HA PHE 24 HA PHE 24 33.219 0.970 -10.373 179 1HB PHE 24 1HB PHE 24 32.284 3.543 -10.075 180 2HB PHE 24 2HB PHE 24 33.986 3.827 -10.432 181 HD1 PHE 24 HD1 PHE 24 30.962 1.991 -11.638 182 HD2 PHE 24 HD2 PHE 24 34.814 3.613 -12.633 183 HE1 PHE 24 HE1 PHE 24 30.542 1.521 -14.038 184 HE2 PHE 24 HE2 PHE 24 34.393 3.143 -15.031 185 HZ PHE 24 HZ PHE 24 32.258 2.097 -15.733 186 H ILE 25 H ILE 25 34.947 2.836 -7.929 187 HA ILE 25 HA ILE 25 37.551 2.385 -9.207 188 HB ILE 25 HB ILE 25 37.171 3.233 -6.336 189 1HG1 ILE 25 1HG1 ILE 25 35.550 4.562 -7.606 190 2HG1 ILE 25 2HG1 ILE 25 36.927 5.574 -7.169 191 1HG2 ILE 25 1HG2 ILE 25 39.349 2.989 -8.096 192 2HG2 ILE 25 2HG2 ILE 25 39.032 4.720 -7.992 193 3HG2 ILE 25 3HG2 ILE 25 39.347 3.793 -6.526 194 1HD1 ILE 25 1HD1 ILE 25 37.713 4.479 -9.586 195 2HD1 ILE 25 2HD1 ILE 25 35.987 4.754 -9.822 196 3HD1 ILE 25 3HD1 ILE 25 37.040 6.094 -9.368 197 H TYR 26 H TYR 26 35.542 0.906 -6.701 198 HA TYR 26 HA TYR 26 37.618 -0.812 -5.642 199 1HB TYR 26 1HB TYR 26 34.618 -0.759 -5.559 200 2HB TYR 26 2HB TYR 26 35.437 -2.259 -5.125 201 HD1 TYR 26 HD1 TYR 26 37.786 -1.570 -3.708 202 HD2 TYR 26 HD2 TYR 26 33.994 0.446 -3.668 203 HE1 TYR 26 HE1 TYR 26 38.301 -0.646 -1.465 204 HE2 TYR 26 HE2 TYR 26 34.508 1.370 -1.425 205 HH TYR 26 HH TYR 26 37.668 0.856 0.095 206 H PHE 27 H PHE 27 35.519 -0.834 -8.402 207 HA PHE 27 HA PHE 27 35.918 -3.618 -9.136 208 1HB PHE 27 1HB PHE 27 34.075 -1.848 -9.876 209 2HB PHE 27 2HB PHE 27 35.257 -1.472 -11.131 210 HD1 PHE 27 HD1 PHE 27 34.034 -4.610 -9.458 211 HD2 PHE 27 HD2 PHE 27 34.837 -2.560 -13.147 212 HE1 PHE 27 HE1 PHE 27 33.333 -6.621 -10.728 213 HE2 PHE 27 HE2 PHE 27 34.138 -4.573 -14.417 214 HZ PHE 27 HZ PHE 27 33.386 -6.603 -13.208 215 H ALA 28 H ALA 28 37.365 -0.519 -9.894 216 HA ALA 28 HA ALA 28 39.106 -1.374 -11.998 217 1HB ALA 28 1HB ALA 28 38.478 1.011 -11.333 218 2HB ALA 28 2HB ALA 28 39.655 0.858 -10.029 219 3HB ALA 28 3HB ALA 28 40.181 0.746 -11.708 220 H ALA 29 H ALA 29 39.936 -0.657 -8.586 221 HA ALA 29 HA ALA 29 42.465 -2.125 -8.878 222 1HB ALA 29 1HB ALA 29 41.391 -0.077 -7.140 223 2HB ALA 29 2HB ALA 29 42.116 -1.378 -6.196 224 3HB ALA 29 3HB ALA 29 43.073 -0.533 -7.414 225 H LEU 30 H LEU 30 39.684 -2.286 -6.636 226 HA LEU 30 HA LEU 30 40.548 -4.832 -5.535 227 1HB LEU 30 1HB LEU 30 39.107 -3.016 -4.403 228 2HB LEU 30 2HB LEU 30 37.761 -3.706 -5.306 229 HG LEU 30 HG LEU 30 38.859 -5.967 -4.297 230 1HD1 LEU 30 1HD1 LEU 30 40.546 -4.624 -3.033 231 2HD1 LEU 30 2HD1 LEU 30 39.226 -3.838 -2.167 232 3HD1 LEU 30 3HD1 LEU 30 39.500 -5.570 -1.973 233 1HD2 LEU 30 1HD2 LEU 30 36.489 -4.741 -4.126 234 2HD2 LEU 30 2HD2 LEU 30 36.905 -6.092 -3.071 235 3HD2 LEU 30 3HD2 LEU 30 37.046 -4.436 -2.480 236 H SER 31 H SER 31 39.711 -4.500 -8.557 237 HA SER 31 HA SER 31 37.407 -6.048 -9.037 238 1HB SER 31 1HB SER 31 39.281 -6.702 -11.056 239 2HB SER 31 2HB SER 31 37.981 -5.520 -11.136 240 HG SER 31 HG SER 31 39.997 -4.546 -11.513 241 HA PRO 32 HA PRO 32 40.252 -9.940 -8.869 242 1HB PRO 32 1HB PRO 32 42.887 -9.555 -8.283 243 2HB PRO 32 2HB PRO 32 42.227 -9.435 -9.922 244 1HG PRO 32 1HG PRO 32 43.235 -7.316 -8.179 245 2HG PRO 32 2HG PRO 32 42.924 -7.282 -9.921 246 1HD PRO 32 1HD PRO 32 41.267 -6.249 -7.782 247 2HD PRO 32 2HD PRO 32 41.017 -6.109 -9.528 248 H ALA 33 H ALA 33 40.986 -7.489 -6.420 249 HA ALA 33 HA ALA 33 41.973 -8.976 -4.311 250 1HB ALA 33 1HB ALA 33 40.716 -6.485 -4.568 251 2HB ALA 33 2HB ALA 33 39.758 -7.349 -3.365 252 3HB ALA 33 3HB ALA 33 41.490 -7.126 -3.119 253 H ILE 34 H ILE 34 38.688 -9.031 -5.589 254 HA ILE 34 HA ILE 34 37.555 -10.601 -3.448 255 HB ILE 34 HB ILE 34 36.731 -10.142 -6.325 256 1HG1 ILE 34 1HG1 ILE 34 34.808 -9.175 -4.554 257 2HG1 ILE 34 2HG1 ILE 34 36.339 -8.788 -3.766 258 1HG2 ILE 34 1HG2 ILE 34 35.415 -11.760 -4.135 259 2HG2 ILE 34 2HG2 ILE 34 34.516 -11.121 -5.511 260 3HG2 ILE 34 3HG2 ILE 34 35.820 -12.280 -5.771 261 1HD1 ILE 34 1HD1 ILE 34 36.679 -8.206 -6.519 262 2HD1 ILE 34 2HD1 ILE 34 35.125 -7.516 -6.045 263 3HD1 ILE 34 3HD1 ILE 34 36.593 -7.060 -5.181 264 H THR 35 H THR 35 38.847 -11.444 -6.670 265 HA THR 35 HA THR 35 38.411 -14.265 -6.407 266 HB THR 35 HB THR 35 40.759 -13.339 -7.979 267 HG1 THR 35 HG1 THR 35 38.267 -12.777 -9.064 268 1HG2 THR 35 1HG2 THR 35 39.087 -15.555 -7.915 269 2HG2 THR 35 2HG2 THR 35 38.533 -14.662 -9.332 270 3HG2 THR 35 3HG2 THR 35 40.221 -15.155 -9.205 271 H PHE 36 H PHE 36 40.650 -12.162 -4.900 272 HA PHE 36 HA PHE 36 42.734 -14.165 -4.493 273 1HB PHE 36 1HB PHE 36 42.244 -11.354 -3.614 274 2HB PHE 36 2HB PHE 36 43.336 -12.337 -2.637 275 HD1 PHE 36 HD1 PHE 36 42.655 -12.041 -6.321 276 HD2 PHE 36 HD2 PHE 36 45.567 -11.940 -3.164 277 HE1 PHE 36 HE1 PHE 36 44.456 -11.703 -7.993 278 HE2 PHE 36 HE2 PHE 36 47.368 -11.603 -4.837 279 HZ PHE 36 HZ PHE 36 46.812 -11.483 -7.252 280 H GLY 37 H GLY 37 41.643 -12.415 -1.683 281 1HA GLY 37 1HA GLY 37 39.823 -13.731 -0.297 282 2HA GLY 37 2HA GLY 37 41.027 -15.018 -0.388 283 H GLY 38 H GLY 38 41.267 -11.491 0.190 284 1HA GLY 38 1HA GLY 38 42.158 -11.905 2.936 285 2HA GLY 38 2HA GLY 38 43.464 -11.435 1.847 286 H LEU 39 H LEU 39 40.137 -10.438 2.696 287 HA LEU 39 HA LEU 39 40.596 -7.718 1.754 288 1HB LEU 39 1HB LEU 39 38.379 -7.317 3.010 289 2HB LEU 39 2HB LEU 39 38.339 -8.425 1.640 290 HG LEU 39 HG LEU 39 39.043 -9.823 4.088 291 1HD1 LEU 39 1HD1 LEU 39 36.549 -8.120 4.046 292 2HD1 LEU 39 2HD1 LEU 39 36.625 -9.614 4.980 293 3HD1 LEU 39 3HD1 LEU 39 37.737 -8.293 5.338 294 1HD2 LEU 39 1HD2 LEU 39 37.487 -10.134 1.676 295 2HD2 LEU 39 2HD2 LEU 39 38.088 -11.381 2.769 296 3HD2 LEU 39 3HD2 LEU 39 36.524 -10.624 3.070 297 H LEU 40 H LEU 40 41.808 -9.286 4.377 298 HA LEU 40 HA LEU 40 41.358 -7.221 6.395 299 1HB LEU 40 1HB LEU 40 42.352 -9.874 6.370 300 2HB LEU 40 2HB LEU 40 43.665 -8.853 6.958 301 HG LEU 40 HG LEU 40 40.974 -8.245 8.043 302 1HD1 LEU 40 1HD1 LEU 40 42.186 -10.921 8.192 303 2HD1 LEU 40 2HD1 LEU 40 41.814 -10.223 9.769 304 3HD1 LEU 40 3HD1 LEU 40 40.540 -10.411 8.564 305 1HD2 LEU 40 1HD2 LEU 40 43.598 -7.559 8.596 306 2HD2 LEU 40 2HD2 LEU 40 42.234 -7.315 9.687 307 3HD2 LEU 40 3HD2 LEU 40 43.241 -8.755 9.842 308 H GLY 41 H GLY 41 44.451 -8.404 5.022 309 1HA GLY 41 1HA GLY 41 45.336 -5.544 4.947 310 2HA GLY 41 2HA GLY 41 46.413 -6.856 5.430 311 H GLU 42 H GLU 42 45.022 -5.168 2.743 312 HA GLU 42 HA GLU 42 45.848 -7.143 0.751 313 1HB GLU 42 1HB GLU 42 43.928 -5.546 0.415 314 2HB GLU 42 2HB GLU 42 45.105 -4.235 0.328 315 1HG GLU 42 1HG GLU 42 45.771 -6.510 -1.405 316 2HG GLU 42 2HG GLU 42 44.244 -5.735 -1.826 317 H LYS 43 H LYS 43 46.882 -3.782 1.432 318 HA LYS 43 HA LYS 43 49.140 -3.644 -0.171 319 1HB LYS 43 1HB LYS 43 50.118 -2.283 1.864 320 2HB LYS 43 2HB LYS 43 48.698 -1.676 1.011 321 1HG LYS 43 1HG LYS 43 47.218 -2.431 2.696 322 2HG LYS 43 2HG LYS 43 48.430 -3.504 3.396 323 1HD LYS 43 1HD LYS 43 48.246 -1.572 4.835 324 2HD LYS 43 2HD LYS 43 49.785 -1.460 3.981 325 1HE LYS 43 1HE LYS 43 47.355 -0.179 2.775 326 2HE LYS 43 2HE LYS 43 48.191 0.639 4.096 327 1HZ LYS 43 1HZ LYS 43 50.031 -0.365 2.181 328 2HZ LYS 43 2HZ LYS 43 48.894 0.655 1.439 329 3HZ LYS 43 3HZ LYS 43 49.826 1.223 2.742 Start of MODEL 16 1 1H ACE 1 HA1 ACE 1 32.554 -4.375 -12.245 2 2H ACE 1 HA2 ACE 1 33.101 -2.720 -12.511 3 3H ACE 1 HA3 ACE 1 32.349 -3.623 -13.827 4 H ARG 2 H ARG 2 31.661 -1.079 -12.107 5 HA ARG 2 HA ARG 2 29.660 -0.022 -11.481 6 1HB ARG 2 1HB ARG 2 28.893 -1.073 -13.660 7 2HB ARG 2 2HB ARG 2 28.279 -2.424 -12.706 8 1HG ARG 2 1HG ARG 2 26.512 -1.227 -11.919 9 2HG ARG 2 2HG ARG 2 27.473 0.236 -11.714 10 1HD ARG 2 1HD ARG 2 27.355 -0.167 -14.490 11 2HD ARG 2 2HD ARG 2 25.725 -0.510 -13.909 12 HE ARG 2 HE ARG 2 27.044 2.003 -13.017 13 1HH1 ARG 2 1HH1 ARG 2 25.080 0.561 -15.406 14 2HH1 ARG 2 2HH1 ARG 2 23.916 1.843 -15.436 15 1HH2 ARG 2 1HH2 ARG 2 25.352 3.567 -12.791 16 2HH2 ARG 2 2HH2 ARG 2 24.069 3.544 -13.954 17 H TYR 3 H TYR 3 29.033 0.017 -9.383 18 HA TYR 3 HA TYR 3 27.816 -2.341 -8.143 19 1HB TYR 3 1HB TYR 3 29.518 -2.138 -6.189 20 2HB TYR 3 2HB TYR 3 30.033 -2.991 -7.646 21 HD1 TYR 3 HD1 TYR 3 31.325 -1.700 -9.424 22 HD2 TYR 3 HD2 TYR 3 30.644 -0.177 -5.467 23 HE1 TYR 3 HE1 TYR 3 33.166 -0.069 -9.737 24 HE2 TYR 3 HE2 TYR 3 32.485 1.457 -5.779 25 HH TYR 3 HH TYR 3 34.213 2.047 -7.089 26 HA PRO 4 HA PRO 4 26.437 1.799 -6.490 27 1HB PRO 4 1HB PRO 4 24.125 2.018 -7.915 28 2HB PRO 4 2HB PRO 4 25.683 2.622 -8.503 29 1HG PRO 4 1HG PRO 4 24.106 0.359 -9.459 30 2HG PRO 4 2HG PRO 4 25.473 1.178 -10.229 31 1HD PRO 4 1HD PRO 4 25.467 -1.319 -8.744 32 2HD PRO 4 2HD PRO 4 26.789 -0.582 -9.667 33 H TYR 5 H TYR 5 23.770 -0.291 -7.601 34 HA TYR 5 HA TYR 5 22.088 -0.102 -5.431 35 1HB TYR 5 1HB TYR 5 22.449 -1.935 -7.593 36 2HB TYR 5 2HB TYR 5 22.156 -2.873 -6.128 37 HD1 TYR 5 HD1 TYR 5 20.492 -0.809 -4.643 38 HD2 TYR 5 HD2 TYR 5 20.343 -2.226 -8.694 39 HE1 TYR 5 HE1 TYR 5 18.081 -0.238 -4.754 40 HE2 TYR 5 HE2 TYR 5 17.932 -1.657 -8.806 41 HH TYR 5 HH TYR 5 16.061 -1.056 -6.139 42 H TYR 6 H TYR 6 25.135 -1.831 -5.550 43 HA TYR 6 HA TYR 6 24.815 -3.547 -3.326 44 1HB TYR 6 1HB TYR 6 26.820 -3.185 -5.028 45 2HB TYR 6 2HB TYR 6 27.437 -2.164 -3.729 46 HD1 TYR 6 HD1 TYR 6 25.456 -5.346 -3.688 47 HD2 TYR 6 HD2 TYR 6 29.090 -3.346 -2.576 48 HE1 TYR 6 HE1 TYR 6 26.182 -7.361 -2.439 49 HE2 TYR 6 HE2 TYR 6 29.817 -5.361 -1.326 50 HH TYR 6 HH TYR 6 27.661 -8.043 -0.763 51 H LEU 7 H LEU 7 26.089 -0.192 -3.350 52 HA LEU 7 HA LEU 7 26.028 -0.178 -0.405 53 1HB LEU 7 1HB LEU 7 27.738 0.976 -2.137 54 2HB LEU 7 2HB LEU 7 26.607 2.312 -1.911 55 HG LEU 7 HG LEU 7 27.052 1.210 0.656 56 1HD1 LEU 7 1HD1 LEU 7 29.322 0.806 -1.063 57 2HD1 LEU 7 2HD1 LEU 7 29.724 2.020 0.152 58 3HD1 LEU 7 3HD1 LEU 7 29.158 0.426 0.651 59 1HD2 LEU 7 1HD2 LEU 7 27.132 3.711 -0.719 60 2HD2 LEU 7 2HD2 LEU 7 27.036 3.431 1.020 61 3HD2 LEU 7 3HD2 LEU 7 28.609 3.579 0.236 62 H SER 8 H SER 8 24.427 1.515 -3.092 63 HA SER 8 HA SER 8 22.787 3.122 -1.308 64 1HB SER 8 1HB SER 8 22.405 2.604 -4.264 65 2HB SER 8 2HB SER 8 21.708 3.924 -3.328 66 HG SER 8 HG SER 8 23.560 4.936 -3.394 67 H ASP 9 H ASP 9 22.597 -0.020 -1.383 68 HA ASP 9 HA ASP 9 19.754 -0.307 -2.098 69 1HB ASP 9 1HB ASP 9 20.202 -2.707 -1.185 70 2HB ASP 9 2HB ASP 9 20.940 -2.234 -2.714 71 H ILE 10 H ILE 10 20.729 -2.174 0.637 72 HA ILE 10 HA ILE 10 18.777 -0.708 2.283 73 HB ILE 10 HB ILE 10 20.211 -3.349 2.555 74 1HG1 ILE 10 1HG1 ILE 10 17.789 -4.099 2.761 75 2HG1 ILE 10 2HG1 ILE 10 17.327 -2.449 2.342 76 1HG2 ILE 10 1HG2 ILE 10 19.198 -1.621 4.686 77 2HG2 ILE 10 2HG2 ILE 10 18.399 -3.193 4.663 78 3HG2 ILE 10 3HG2 ILE 10 20.155 -3.098 4.802 79 1HD1 ILE 10 1HD1 ILE 10 19.322 -3.785 0.577 80 2HD1 ILE 10 2HD1 ILE 10 17.655 -4.351 0.476 81 3HD1 ILE 10 3HD1 ILE 10 18.032 -2.657 0.162 82 H THR 11 H THR 11 22.242 -1.472 2.254 83 HA THR 11 HA THR 11 22.855 -0.434 4.844 84 HB THR 11 HB THR 11 25.119 -0.549 4.201 85 HG1 THR 11 HG1 THR 11 25.530 -0.600 1.812 86 1HG2 THR 11 1HG2 THR 11 23.541 -2.663 3.727 87 2HG2 THR 11 2HG2 THR 11 24.135 -2.403 2.087 88 3HG2 THR 11 3HG2 THR 11 25.274 -2.697 3.400 89 H ASP 12 H ASP 12 21.768 1.170 2.056 90 HA ASP 12 HA ASP 12 23.189 3.643 2.258 91 1HB ASP 12 1HB ASP 12 21.619 2.808 0.380 92 2HB ASP 12 2HB ASP 12 20.309 3.433 1.384 93 H ALA 13 H ALA 13 19.891 2.857 3.455 94 HA ALA 13 HA ALA 13 20.167 5.140 5.332 95 1HB ALA 13 1HB ALA 13 18.143 4.800 3.720 96 2HB ALA 13 2HB ALA 13 17.622 3.598 4.900 97 3HB ALA 13 3HB ALA 13 17.828 5.281 5.387 98 H PHE 14 H PHE 14 19.025 1.741 5.324 99 HA PHE 14 HA PHE 14 18.537 1.313 8.001 100 1HB PHE 14 1HB PHE 14 18.432 -0.465 6.263 101 2HB PHE 14 2HB PHE 14 20.194 -0.534 6.255 102 HD1 PHE 14 HD1 PHE 14 17.340 -0.639 8.692 103 HD2 PHE 14 HD2 PHE 14 21.241 -2.093 7.633 104 HE1 PHE 14 HE1 PHE 14 17.290 -2.184 10.631 105 HE2 PHE 14 HE2 PHE 14 21.192 -3.638 9.571 106 HZ PHE 14 HZ PHE 14 19.216 -3.685 11.070 107 H SER 15 H SER 15 21.699 1.667 6.482 108 HA SER 15 HA SER 15 22.864 2.059 9.182 109 1HB SER 15 1HB SER 15 23.432 -0.111 7.334 110 2HB SER 15 2HB SER 15 24.878 0.837 7.667 111 HG SER 15 HG SER 15 24.896 0.041 9.610 112 HA PRO 16 HA PRO 16 24.321 5.434 6.427 113 1HB PRO 16 1HB PRO 16 23.277 7.450 7.933 114 2HB PRO 16 2HB PRO 16 22.335 6.580 6.710 115 1HG PRO 16 1HG PRO 16 22.044 6.540 9.603 116 2HG PRO 16 2HG PRO 16 20.967 5.873 8.365 117 1HD PRO 16 1HD PRO 16 22.984 4.492 9.989 118 2HD PRO 16 2HD PRO 16 21.677 3.807 9.009 119 H GLN 17 H GLN 17 23.995 6.395 9.833 120 HA GLN 17 HA GLN 17 26.586 7.567 10.002 121 1HB GLN 17 1HB GLN 17 26.182 7.710 12.371 122 2HB GLN 17 2HB GLN 17 24.631 7.953 11.568 123 1HG GLN 17 1HG GLN 17 23.804 6.256 12.791 124 2HG GLN 17 2HG GLN 17 24.877 5.167 11.909 125 1HE2 GLN 17 2HE2 GLN 17 24.094 6.095 15.016 126 2HE2 GLN 17 1HE2 GLN 17 25.561 5.735 15.790 127 H VAL 18 H VAL 18 25.493 4.280 10.319 128 HA VAL 18 HA VAL 18 27.975 3.354 11.605 129 HB VAL 18 HB VAL 18 25.946 1.599 10.259 130 1HG1 VAL 18 1HG1 VAL 18 28.148 1.333 12.175 131 2HG1 VAL 18 2HG1 VAL 18 26.666 0.545 12.717 132 3HG1 VAL 18 3HG1 VAL 18 27.385 0.103 11.168 133 1HG2 VAL 18 1HG2 VAL 18 25.607 3.328 12.661 134 2HG2 VAL 18 2HG2 VAL 18 24.397 2.747 11.517 135 3HG2 VAL 18 3HG2 VAL 18 25.002 1.675 12.780 136 H LEU 19 H LEU 19 26.724 3.782 8.380 137 HA LEU 19 HA LEU 19 28.415 1.894 7.033 138 1HB LEU 19 1HB LEU 19 26.449 3.512 6.169 139 2HB LEU 19 2HB LEU 19 27.827 4.511 5.720 140 HG LEU 19 HG LEU 19 27.852 1.591 5.030 141 1HD1 LEU 19 1HD1 LEU 19 26.281 3.780 3.664 142 2HD1 LEU 19 2HD1 LEU 19 26.869 2.376 2.774 143 3HD1 LEU 19 3HD1 LEU 19 25.743 2.161 4.114 144 1HD2 LEU 19 1HD2 LEU 19 29.858 3.040 4.721 145 2HD2 LEU 19 2HD2 LEU 19 29.248 2.414 3.189 146 3HD2 LEU 19 3HD2 LEU 19 28.914 4.082 3.655 147 H ALA 20 H ALA 20 28.853 5.327 7.867 148 HA ALA 20 HA ALA 20 31.511 5.521 6.753 149 1HB ALA 20 1HB ALA 20 29.654 7.238 8.081 150 2HB ALA 20 2HB ALA 20 31.186 7.325 8.949 151 3HB ALA 20 3HB ALA 20 31.128 7.689 7.224 152 H ALA 21 H ALA 21 30.369 5.266 10.118 153 HA ALA 21 HA ALA 21 32.788 5.044 11.470 154 1HB ALA 21 1HB ALA 21 30.368 4.925 12.384 155 2HB ALA 21 2HB ALA 21 30.454 3.197 12.045 156 3HB ALA 21 3HB ALA 21 31.572 3.926 13.198 157 H VAL 22 H VAL 22 30.930 2.308 10.196 158 HA VAL 22 HA VAL 22 32.687 0.219 10.666 159 HB VAL 22 HB VAL 22 30.784 0.782 8.400 160 1HG1 VAL 22 1HG1 VAL 22 32.570 -1.666 8.639 161 2HG1 VAL 22 2HG1 VAL 22 31.229 -1.487 7.507 162 3HG1 VAL 22 3HG1 VAL 22 32.651 -0.454 7.361 163 1HG2 VAL 22 1HG2 VAL 22 30.980 -1.182 10.695 164 2HG2 VAL 22 2HG2 VAL 22 29.758 0.063 10.432 165 3HG2 VAL 22 3HG2 VAL 22 29.801 -1.363 9.396 166 H ILE 23 H ILE 23 32.777 2.464 7.894 167 HA ILE 23 HA ILE 23 35.054 1.307 6.631 168 HB ILE 23 HB ILE 23 33.896 4.100 6.622 169 1HG1 ILE 23 1HG1 ILE 23 32.719 2.122 5.525 170 2HG1 ILE 23 2HG1 ILE 23 33.077 3.477 4.454 171 1HG2 ILE 23 1HG2 ILE 23 36.453 3.078 5.483 172 2HG2 ILE 23 2HG2 ILE 23 35.473 4.114 4.446 173 3HG2 ILE 23 3HG2 ILE 23 36.028 4.706 6.011 174 1HD1 ILE 23 1HD1 ILE 23 34.886 1.066 4.757 175 2HD1 ILE 23 2HD1 ILE 23 33.663 1.214 3.496 176 3HD1 ILE 23 3HD1 ILE 23 35.011 2.350 3.554 177 H PHE 24 H PHE 24 34.930 4.183 8.777 178 HA PHE 24 HA PHE 24 37.573 4.847 9.012 179 1HB PHE 24 1HB PHE 24 35.377 5.492 10.447 180 2HB PHE 24 2HB PHE 24 36.162 4.435 11.620 181 HD1 PHE 24 HD1 PHE 24 37.418 6.943 9.114 182 HD2 PHE 24 HD2 PHE 24 37.340 5.650 13.208 183 HE1 PHE 24 HE1 PHE 24 38.986 8.768 9.721 184 HE2 PHE 24 HE2 PHE 24 38.907 7.472 13.815 185 HZ PHE 24 HZ PHE 24 39.729 9.032 12.072 186 H ILE 25 H ILE 25 36.034 2.004 10.459 187 HA ILE 25 HA ILE 25 38.491 1.130 11.776 188 HB ILE 25 HB ILE 25 35.864 -0.259 11.171 189 1HG1 ILE 25 1HG1 ILE 25 36.999 0.207 13.904 190 2HG1 ILE 25 2HG1 ILE 25 36.333 1.592 13.038 191 1HG2 ILE 25 1HG2 ILE 25 38.476 -1.356 11.979 192 2HG2 ILE 25 2HG2 ILE 25 37.147 -1.808 13.047 193 3HG2 ILE 25 3HG2 ILE 25 37.062 -2.183 11.326 194 1HD1 ILE 25 1HD1 ILE 25 34.609 -0.761 12.854 195 2HD1 ILE 25 2HD1 ILE 25 34.872 -0.249 14.521 196 3HD1 ILE 25 3HD1 ILE 25 34.211 0.886 13.344 197 H TYR 26 H TYR 26 36.726 0.210 8.805 198 HA TYR 26 HA TYR 26 38.494 -1.818 7.901 199 1HB TYR 26 1HB TYR 26 36.818 0.236 6.428 200 2HB TYR 26 2HB TYR 26 37.764 -0.981 5.575 201 HD1 TYR 26 HD1 TYR 26 36.319 -1.810 8.852 202 HD2 TYR 26 HD2 TYR 26 35.709 -1.930 4.601 203 HE1 TYR 26 HE1 TYR 26 34.494 -3.456 9.160 204 HE2 TYR 26 HE2 TYR 26 33.885 -3.579 4.911 205 HH TYR 26 HH TYR 26 33.438 -5.337 7.611 206 H PHE 27 H PHE 27 38.365 1.485 6.666 207 HA PHE 27 HA PHE 27 40.741 1.862 5.405 208 1HB PHE 27 1HB PHE 27 38.863 3.512 6.803 209 2HB PHE 27 2HB PHE 27 40.484 4.058 7.231 210 HD1 PHE 27 HD1 PHE 27 39.322 2.467 4.057 211 HD2 PHE 27 HD2 PHE 27 40.774 6.038 5.954 212 HE1 PHE 27 HE1 PHE 27 39.533 3.559 1.840 213 HE2 PHE 27 HE2 PHE 27 40.983 7.129 3.738 214 HZ PHE 27 HZ PHE 27 40.363 5.890 1.681 215 H ALA 28 H ALA 28 40.279 1.515 8.857 216 HA ALA 28 HA ALA 28 42.885 2.297 9.720 217 1HB ALA 28 1HB ALA 28 40.521 1.382 10.913 218 2HB ALA 28 2HB ALA 28 41.730 0.168 11.330 219 3HB ALA 28 3HB ALA 28 41.999 1.860 11.747 220 H ALA 29 H ALA 29 41.595 -1.041 9.394 221 HA ALA 29 HA ALA 29 44.360 -2.050 9.374 222 1HB ALA 29 1HB ALA 29 41.648 -3.299 9.621 223 2HB ALA 29 2HB ALA 29 43.033 -4.301 9.191 224 3HB ALA 29 3HB ALA 29 43.030 -3.406 10.711 225 H LEU 30 H LEU 30 41.529 -2.777 7.290 226 HA LEU 30 HA LEU 30 43.368 -3.604 5.154 227 1HB LEU 30 1HB LEU 30 41.157 -4.132 3.968 228 2HB LEU 30 2HB LEU 30 41.509 -5.061 5.427 229 HG LEU 30 HG LEU 30 40.074 -2.502 5.854 230 1HD1 LEU 30 1HD1 LEU 30 38.953 -4.798 4.264 231 2HD1 LEU 30 2HD1 LEU 30 37.897 -3.853 5.313 232 3HD1 LEU 30 3HD1 LEU 30 38.764 -3.065 3.995 233 1HD2 LEU 30 1HD2 LEU 30 40.710 -4.447 7.505 234 2HD2 LEU 30 2HD2 LEU 30 39.129 -3.679 7.645 235 3HD2 LEU 30 3HD2 LEU 30 39.284 -5.236 6.831 236 H SER 31 H SER 31 43.373 -0.825 5.820 237 HA SER 31 HA SER 31 41.805 0.863 4.247 238 1HB SER 31 1HB SER 31 43.229 2.414 5.034 239 2HB SER 31 2HB SER 31 44.193 1.108 5.713 240 HG SER 31 HG SER 31 44.437 2.391 3.202 241 HA PRO 32 HA PRO 32 44.676 -0.002 0.474 242 1HB PRO 32 1HB PRO 32 46.879 -1.552 0.880 243 2HB PRO 32 2HB PRO 32 46.844 0.188 1.215 244 1HG PRO 32 1HG PRO 32 46.984 -2.043 3.091 245 2HG PRO 32 2HG PRO 32 47.272 -0.320 3.377 246 1HD PRO 32 1HD PRO 32 44.883 -1.879 3.955 247 2HD PRO 32 2HD PRO 32 45.254 -0.212 4.420 248 H ALA 33 H ALA 33 43.318 -2.415 2.332 249 HA ALA 33 HA ALA 33 43.967 -4.675 0.589 250 1HB ALA 33 1HB ALA 33 43.083 -4.475 3.186 251 2HB ALA 33 2HB ALA 33 41.609 -4.932 2.332 252 3HB ALA 33 3HB ALA 33 43.044 -5.951 2.223 253 H ILE 34 H ILE 34 40.782 -3.301 1.485 254 HA ILE 34 HA ILE 34 39.375 -4.370 -0.704 255 HB ILE 34 HB ILE 34 38.948 -2.008 1.101 256 1HG1 ILE 34 1HG1 ILE 34 36.999 -4.204 0.475 257 2HG1 ILE 34 2HG1 ILE 34 38.412 -4.569 1.465 258 1HG2 ILE 34 1HG2 ILE 34 37.301 -2.662 -1.364 259 2HG2 ILE 34 2HG2 ILE 34 36.740 -1.630 -0.049 260 3HG2 ILE 34 3HG2 ILE 34 38.131 -1.144 -1.018 261 1HD1 ILE 34 1HD1 ILE 34 37.611 -2.293 2.672 262 2HD1 ILE 34 2HD1 ILE 34 36.052 -2.871 2.086 263 3HD1 ILE 34 3HD1 ILE 34 37.022 -3.885 3.155 264 H THR 35 H THR 35 40.540 -0.981 -0.467 265 HA THR 35 HA THR 35 40.027 -0.136 -3.054 266 HB THR 35 HB THR 35 42.743 0.594 -2.194 267 HG1 THR 35 HG1 THR 35 40.517 0.972 -0.478 268 1HG2 THR 35 1HG2 THR 35 40.152 2.106 -2.626 269 2HG2 THR 35 2HG2 THR 35 41.719 2.862 -2.334 270 3HG2 THR 35 3HG2 THR 35 41.456 1.911 -3.796 271 H PHE 36 H PHE 36 42.543 -2.354 -2.006 272 HA PHE 36 HA PHE 36 43.762 -2.417 -4.683 273 1HB PHE 36 1HB PHE 36 44.351 -3.739 -2.043 274 2HB PHE 36 2HB PHE 36 45.095 -4.340 -3.525 275 HD1 PHE 36 HD1 PHE 36 44.359 -0.994 -1.972 276 HD2 PHE 36 HD2 PHE 36 47.207 -3.493 -3.995 277 HE1 PHE 36 HE1 PHE 36 46.030 0.838 -1.884 278 HE2 PHE 36 HE2 PHE 36 48.878 -1.661 -3.907 279 HZ PHE 36 HZ PHE 36 48.288 0.504 -2.851 280 H GLY 37 H GLY 37 41.860 -3.198 -5.850 281 1HA GLY 37 1HA GLY 37 41.829 -5.969 -6.347 282 2HA GLY 37 2HA GLY 37 40.545 -5.663 -5.176 283 H GLY 38 H GLY 38 41.497 -5.343 -8.490 284 1HA GLY 38 1HA GLY 38 39.433 -5.333 -10.006 285 2HA GLY 38 2HA GLY 38 38.932 -3.918 -9.079 286 H LEU 39 H LEU 39 42.052 -3.376 -9.050 287 HA LEU 39 HA LEU 39 42.154 -1.253 -10.836 288 1HB LEU 39 1HB LEU 39 44.128 -2.954 -9.490 289 2HB LEU 39 2HB LEU 39 44.723 -2.273 -11.004 290 HG LEU 39 HG LEU 39 43.503 -0.089 -9.945 291 1HD1 LEU 39 1HD1 LEU 39 44.050 -1.987 -7.741 292 2HD1 LEU 39 2HD1 LEU 39 44.646 -0.347 -7.481 293 3HD1 LEU 39 3HD1 LEU 39 42.933 -0.623 -7.801 294 1HD2 LEU 39 1HD2 LEU 39 46.170 -1.069 -10.330 295 2HD2 LEU 39 2HD2 LEU 39 45.619 0.606 -10.296 296 3HD2 LEU 39 3HD2 LEU 39 46.119 -0.188 -8.803 297 H LEU 40 H LEU 40 42.636 -1.005 -13.029 298 HA LEU 40 HA LEU 40 42.285 -3.433 -14.678 299 1HB LEU 40 1HB LEU 40 41.042 -1.278 -15.146 300 2HB LEU 40 2HB LEU 40 42.590 -0.562 -15.597 301 HG LEU 40 HG LEU 40 42.087 -3.156 -16.882 302 1HD1 LEU 40 1HD1 LEU 40 39.825 -1.647 -16.659 303 2HD1 LEU 40 2HD1 LEU 40 40.517 -0.986 -18.140 304 3HD1 LEU 40 3HD1 LEU 40 40.164 -2.710 -18.025 305 1HD2 LEU 40 1HD2 LEU 40 42.886 -0.369 -17.763 306 2HD2 LEU 40 2HD2 LEU 40 43.924 -1.785 -17.602 307 3HD2 LEU 40 3HD2 LEU 40 42.719 -1.717 -18.888 308 H GLY 41 H GLY 41 44.759 -1.125 -13.780 309 1HA GLY 41 1HA GLY 41 46.962 -2.695 -14.367 310 2HA GLY 41 2HA GLY 41 46.611 -1.882 -15.890 311 H GLU 42 H GLU 42 46.215 0.585 -15.567 312 HA GLU 42 HA GLU 42 48.544 1.617 -14.084 313 1HB GLU 42 1HB GLU 42 46.825 3.580 -15.443 314 2HB GLU 42 2HB GLU 42 48.561 3.318 -15.590 315 1HG GLU 42 1HG GLU 42 47.986 1.224 -16.948 316 2HG GLU 42 2HG GLU 42 46.334 1.842 -17.008 317 H LYS 43 H LYS 43 45.154 2.744 -14.418 318 HA LYS 43 HA LYS 43 45.325 3.681 -11.589 319 1HB LYS 43 1HB LYS 43 44.539 5.061 -13.829 320 2HB LYS 43 2HB LYS 43 42.991 4.501 -13.196 321 1HG LYS 43 1HG LYS 43 43.069 5.986 -11.503 322 2HG LYS 43 2HG LYS 43 44.691 5.462 -11.050 323 1HD LYS 43 1HD LYS 43 45.727 7.065 -12.362 324 2HD LYS 43 2HD LYS 43 44.383 7.152 -13.500 325 1HE LYS 43 1HE LYS 43 43.343 7.962 -11.000 326 2HE LYS 43 2HE LYS 43 44.891 8.789 -11.177 327 1HZ LYS 43 1HZ LYS 43 42.890 8.703 -13.355 328 2HZ LYS 43 2HZ LYS 43 42.878 9.918 -12.168 329 3HZ LYS 43 3HZ LYS 43 44.220 9.746 -13.190 Start of MODEL 17 1 1H ACE 1 HA1 ACE 1 14.039 12.907 14.660 2 2H ACE 1 HA2 ACE 1 15.630 13.524 15.106 3 3H ACE 1 HA3 ACE 1 14.217 13.955 16.068 4 H ARG 2 H ARG 2 12.973 11.778 16.770 5 HA ARG 2 HA ARG 2 15.024 10.191 18.209 6 1HB ARG 2 1HB ARG 2 12.024 10.455 18.535 7 2HB ARG 2 2HB ARG 2 13.004 9.323 19.469 8 1HG ARG 2 1HG ARG 2 14.449 11.588 19.821 9 2HG ARG 2 2HG ARG 2 12.835 12.280 19.658 10 1HD ARG 2 1HD ARG 2 12.192 11.505 21.682 11 2HD ARG 2 2HD ARG 2 12.860 9.905 21.364 12 HE ARG 2 HE ARG 2 14.985 10.663 22.261 13 1HH1 ARG 2 1HH1 ARG 2 13.970 13.591 21.401 14 2HH1 ARG 2 2HH1 ARG 2 14.064 14.350 22.955 15 1HH2 ARG 2 1HH2 ARG 2 14.446 11.369 24.684 16 2HH2 ARG 2 2HH2 ARG 2 14.338 13.093 24.813 17 H TYR 3 H TYR 3 15.653 8.972 16.276 18 HA TYR 3 HA TYR 3 13.994 6.571 15.950 19 1HB TYR 3 1HB TYR 3 14.463 8.566 13.746 20 2HB TYR 3 2HB TYR 3 14.299 6.852 13.364 21 HD1 TYR 3 HD1 TYR 3 12.203 5.642 13.856 22 HD2 TYR 3 HD2 TYR 3 12.590 9.861 14.568 23 HE1 TYR 3 HE1 TYR 3 9.738 5.834 14.055 24 HE2 TYR 3 HE2 TYR 3 10.126 10.052 14.767 25 HH TYR 3 HH TYR 3 8.207 8.492 15.373 26 HA PRO 4 HA PRO 4 18.528 5.742 15.827 27 1HB PRO 4 1HB PRO 4 18.553 4.126 18.024 28 2HB PRO 4 2HB PRO 4 18.726 5.886 18.113 29 1HG PRO 4 1HG PRO 4 16.470 4.201 18.921 30 2HG PRO 4 2HG PRO 4 16.850 5.869 19.375 31 1HD PRO 4 1HD PRO 4 14.939 4.958 17.423 32 2HD PRO 4 2HD PRO 4 15.305 6.624 17.902 33 H TYR 5 H TYR 5 16.995 2.996 17.422 34 HA TYR 5 HA TYR 5 17.967 1.179 15.388 35 1HB TYR 5 1HB TYR 5 17.236 0.887 18.004 36 2HB TYR 5 2HB TYR 5 15.829 0.209 17.184 37 HD1 TYR 5 HD1 TYR 5 19.547 0.021 17.393 38 HD2 TYR 5 HD2 TYR 5 15.926 -1.923 16.139 39 HE1 TYR 5 HE1 TYR 5 20.824 -2.051 16.914 40 HE2 TYR 5 HE2 TYR 5 17.204 -3.994 15.661 41 HH TYR 5 HH TYR 5 19.890 -4.392 15.036 42 H TYR 6 H TYR 6 14.959 2.879 15.909 43 HA TYR 6 HA TYR 6 13.210 1.237 14.390 44 1HB TYR 6 1HB TYR 6 13.286 4.205 14.930 45 2HB TYR 6 2HB TYR 6 12.031 3.490 13.918 46 HD1 TYR 6 HD1 TYR 6 11.579 0.887 15.221 47 HD2 TYR 6 HD2 TYR 6 12.217 4.767 16.951 48 HE1 TYR 6 HE1 TYR 6 10.345 0.183 17.253 49 HE2 TYR 6 HE2 TYR 6 10.982 4.063 18.984 50 HH TYR 6 HH TYR 6 9.168 2.296 19.511 51 H LEU 7 H LEU 7 15.077 4.095 13.296 52 HA LEU 7 HA LEU 7 14.450 3.580 10.503 53 1HB LEU 7 1HB LEU 7 15.651 5.679 12.036 54 2HB LEU 7 2HB LEU 7 16.769 5.228 10.749 55 HG LEU 7 HG LEU 7 14.038 5.315 9.767 56 1HD1 LEU 7 1HD1 LEU 7 15.174 7.833 11.022 57 2HD1 LEU 7 2HD1 LEU 7 13.780 7.788 9.942 58 3HD1 LEU 7 3HD1 LEU 7 13.703 6.995 11.516 59 1HD2 LEU 7 1HD2 LEU 7 16.709 5.890 8.944 60 2HD2 LEU 7 2HD2 LEU 7 15.257 5.830 7.944 61 3HD2 LEU 7 3HD2 LEU 7 15.751 7.349 8.692 62 H SER 8 H SER 8 17.389 3.219 12.503 63 HA SER 8 HA SER 8 19.230 2.322 10.659 64 1HB SER 8 1HB SER 8 19.785 2.465 13.022 65 2HB SER 8 2HB SER 8 18.670 1.155 13.400 66 HG SER 8 HG SER 8 20.325 -0.087 13.050 67 H ASP 9 H ASP 9 16.334 0.648 11.683 68 HA ASP 9 HA ASP 9 17.031 -1.982 10.808 69 1HB ASP 9 1HB ASP 9 14.553 -0.524 11.493 70 2HB ASP 9 2HB ASP 9 14.336 -1.869 10.371 71 H ILE 10 H ILE 10 15.228 0.602 9.097 72 HA ILE 10 HA ILE 10 15.047 -0.848 6.629 73 HB ILE 10 HB ILE 10 14.827 2.083 7.327 74 1HG1 ILE 10 1HG1 ILE 10 12.487 1.158 6.155 75 2HG1 ILE 10 2HG1 ILE 10 13.045 -0.232 7.086 76 1HG2 ILE 10 1HG2 ILE 10 15.249 0.856 4.708 77 2HG2 ILE 10 2HG2 ILE 10 13.728 1.744 4.791 78 3HG2 ILE 10 3HG2 ILE 10 15.247 2.561 5.157 79 1HD1 ILE 10 1HD1 ILE 10 13.338 1.318 9.060 80 2HD1 ILE 10 2HD1 ILE 10 12.538 2.572 8.112 81 3HD1 ILE 10 3HD1 ILE 10 11.665 1.102 8.545 82 H THR 11 H THR 11 17.481 1.383 7.918 83 HA THR 11 HA THR 11 18.979 1.413 5.405 84 HB THR 11 HB THR 11 20.700 2.619 6.800 85 HG1 THR 11 HG1 THR 11 18.718 2.568 8.807 86 1HG2 THR 11 1HG2 THR 11 18.088 3.448 6.009 87 2HG2 THR 11 2HG2 THR 11 18.456 4.225 7.549 88 3HG2 THR 11 3HG2 THR 11 19.539 4.437 6.173 89 H ASP 12 H ASP 12 18.491 -1.022 7.470 90 HA ASP 12 HA ASP 12 21.223 -1.882 7.991 91 1HB ASP 12 1HB ASP 12 19.326 -2.596 9.417 92 2HB ASP 12 2HB ASP 12 18.640 -3.471 8.048 93 H ALA 13 H ALA 13 19.459 -1.704 5.175 94 HA ALA 13 HA ALA 13 20.587 -4.198 4.041 95 1HB ALA 13 1HB ALA 13 18.351 -2.393 3.355 96 2HB ALA 13 2HB ALA 13 19.257 -3.013 1.975 97 3HB ALA 13 3HB ALA 13 18.509 -4.133 3.114 98 H PHE 14 H PHE 14 21.757 -1.226 4.596 99 HA PHE 14 HA PHE 14 22.925 -0.760 1.926 100 1HB PHE 14 1HB PHE 14 22.666 0.775 4.447 101 2HB PHE 14 2HB PHE 14 24.159 1.043 3.547 102 HD1 PHE 14 HD1 PHE 14 23.738 1.191 0.865 103 HD2 PHE 14 HD2 PHE 14 20.882 2.172 3.922 104 HE1 PHE 14 HE1 PHE 14 22.514 2.634 -0.739 105 HE2 PHE 14 HE2 PHE 14 19.659 3.613 2.315 106 HZ PHE 14 HZ PHE 14 20.475 3.843 -0.015 107 H SER 15 H SER 15 23.565 -3.104 3.848 108 HA SER 15 HA SER 15 26.388 -2.645 4.488 109 1HB SER 15 1HB SER 15 24.423 -4.851 4.919 110 2HB SER 15 2HB SER 15 26.136 -5.258 4.936 111 HG SER 15 HG SER 15 24.627 -3.748 6.699 112 HA PRO 16 HA PRO 16 26.818 -5.755 0.807 113 1HB PRO 16 1HB PRO 16 24.578 -6.314 -0.642 114 2HB PRO 16 2HB PRO 16 25.056 -7.234 0.793 115 1HG PRO 16 1HG PRO 16 22.858 -5.312 0.453 116 2HG PRO 16 2HG PRO 16 23.055 -6.601 1.650 117 1HD PRO 16 1HD PRO 16 23.502 -3.813 2.032 118 2HD PRO 16 2HD PRO 16 23.813 -5.119 3.182 119 H GLN 17 H GLN 17 24.197 -3.420 0.102 120 HA GLN 17 HA GLN 17 24.869 -2.803 -2.557 121 1HB GLN 17 1HB GLN 17 23.452 -1.442 -0.363 122 2HB GLN 17 2HB GLN 17 24.166 -0.341 -1.542 123 1HG GLN 17 1HG GLN 17 23.071 -2.277 -3.161 124 2HG GLN 17 2HG GLN 17 21.901 -2.195 -1.844 125 1HE2 GLN 17 2HE2 GLN 17 21.404 0.263 -1.192 126 2HE2 GLN 17 1HE2 GLN 17 21.147 1.311 -2.503 127 H VAL 18 H VAL 18 26.361 -1.722 0.447 128 HA VAL 18 HA VAL 18 28.101 0.226 -0.816 129 HB VAL 18 HB VAL 18 28.172 -1.161 1.861 130 1HG1 VAL 18 1HG1 VAL 18 30.122 0.662 0.524 131 2HG1 VAL 18 2HG1 VAL 18 29.818 0.900 2.244 132 3HG1 VAL 18 3HG1 VAL 18 30.418 -0.653 1.662 133 1HG2 VAL 18 1HG2 VAL 18 26.427 0.667 1.141 134 2HG2 VAL 18 2HG2 VAL 18 27.220 0.799 2.711 135 3HG2 VAL 18 3HG2 VAL 18 27.783 1.774 1.354 136 H LEU 19 H LEU 19 28.501 -3.167 0.239 137 HA LEU 19 HA LEU 19 31.218 -3.546 -0.226 138 1HB LEU 19 1HB LEU 19 29.328 -5.274 0.375 139 2HB LEU 19 2HB LEU 19 29.263 -5.529 -1.369 140 HG LEU 19 HG LEU 19 31.928 -5.548 0.008 141 1HD1 LEU 19 1HD1 LEU 19 30.387 -7.063 1.298 142 2HD1 LEU 19 2HD1 LEU 19 30.100 -7.958 -0.194 143 3HD1 LEU 19 3HD1 LEU 19 31.717 -7.911 0.509 144 1HD2 LEU 19 1HD2 LEU 19 30.897 -6.032 -2.603 145 2HD2 LEU 19 2HD2 LEU 19 32.568 -6.178 -2.058 146 3HD2 LEU 19 3HD2 LEU 19 31.490 -7.572 -1.981 147 H ALA 20 H ALA 20 28.620 -3.635 -2.667 148 HA ALA 20 HA ALA 20 30.236 -4.066 -4.952 149 1HB ALA 20 1HB ALA 20 27.557 -3.035 -4.387 150 2HB ALA 20 2HB ALA 20 28.296 -2.239 -5.776 151 3HB ALA 20 3HB ALA 20 28.116 -3.993 -5.758 152 H ALA 21 H ALA 21 29.179 -1.019 -3.474 153 HA ALA 21 HA ALA 21 30.436 0.870 -5.062 154 1HB ALA 21 1HB ALA 21 29.145 1.004 -2.712 155 2HB ALA 21 2HB ALA 21 30.796 1.163 -2.111 156 3HB ALA 21 3HB ALA 21 30.168 2.324 -3.282 157 H VAL 22 H VAL 22 31.899 -0.761 -2.276 158 HA VAL 22 HA VAL 22 34.477 0.214 -2.334 159 HB VAL 22 HB VAL 22 33.496 -2.608 -1.845 160 1HG1 VAL 22 1HG1 VAL 22 36.279 -1.441 -1.658 161 2HG1 VAL 22 2HG1 VAL 22 35.787 -2.827 -0.685 162 3HG1 VAL 22 3HG1 VAL 22 35.773 -2.936 -2.445 163 1HG2 VAL 22 1HG2 VAL 22 32.985 -0.515 -0.350 164 2HG2 VAL 22 2HG2 VAL 22 33.528 -2.007 0.420 165 3HG2 VAL 22 3HG2 VAL 22 34.666 -0.686 0.154 166 H ILE 23 H ILE 23 33.329 -2.580 -4.277 167 HA ILE 23 HA ILE 23 35.736 -2.960 -5.730 168 HB ILE 23 HB ILE 23 32.836 -3.470 -6.428 169 1HG1 ILE 23 1HG1 ILE 23 34.936 -5.578 -6.212 170 2HG1 ILE 23 2HG1 ILE 23 34.444 -4.780 -4.718 171 1HG2 ILE 23 1HG2 ILE 23 35.316 -4.080 -8.066 172 2HG2 ILE 23 2HG2 ILE 23 33.740 -4.820 -8.349 173 3HG2 ILE 23 3HG2 ILE 23 33.946 -3.081 -8.551 174 1HD1 ILE 23 1HD1 ILE 23 32.090 -5.360 -6.240 175 2HD1 ILE 23 2HD1 ILE 23 33.065 -6.827 -6.147 176 3HD1 ILE 23 3HD1 ILE 23 32.561 -6.007 -4.668 177 H PHE 24 H PHE 24 32.946 -0.845 -6.410 178 HA PHE 24 HA PHE 24 33.690 0.190 -8.903 179 1HB PHE 24 1HB PHE 24 31.763 0.824 -7.086 180 2HB PHE 24 2HB PHE 24 32.839 2.207 -6.894 181 HD1 PHE 24 HD1 PHE 24 33.935 2.479 -9.635 182 HD2 PHE 24 HD2 PHE 24 29.932 1.676 -8.304 183 HE1 PHE 24 HE1 PHE 24 33.041 3.469 -11.725 184 HE2 PHE 24 HE2 PHE 24 29.037 2.665 -10.395 185 HZ PHE 24 HZ PHE 24 30.593 3.561 -12.106 186 H ILE 25 H ILE 25 34.971 0.969 -5.693 187 HA ILE 25 HA ILE 25 36.723 3.084 -6.642 188 HB ILE 25 HB ILE 25 36.730 1.395 -4.118 189 1HG1 ILE 25 1HG1 ILE 25 36.090 4.332 -4.425 190 2HG1 ILE 25 2HG1 ILE 25 34.852 3.092 -4.631 191 1HG2 ILE 25 1HG2 ILE 25 38.838 2.942 -5.211 192 2HG2 ILE 25 2HG2 ILE 25 38.154 3.888 -3.888 193 3HG2 ILE 25 3HG2 ILE 25 38.741 2.251 -3.591 194 1HD1 ILE 25 1HD1 ILE 25 36.565 2.898 -2.200 195 2HD1 ILE 25 2HD1 ILE 25 35.375 4.198 -2.241 196 3HD1 ILE 25 3HD1 ILE 25 34.854 2.522 -2.404 197 H TYR 26 H TYR 26 37.118 -0.386 -5.902 198 HA TYR 26 HA TYR 26 39.886 -0.634 -6.401 199 1HB TYR 26 1HB TYR 26 38.326 -2.467 -5.618 200 2HB TYR 26 2HB TYR 26 37.749 -2.601 -7.279 201 HD1 TYR 26 HD1 TYR 26 41.179 -2.053 -5.870 202 HD2 TYR 26 HD2 TYR 26 38.591 -4.579 -8.185 203 HE1 TYR 26 HE1 TYR 26 43.103 -3.519 -6.421 204 HE2 TYR 26 HE2 TYR 26 40.513 -6.044 -8.738 205 HH TYR 26 HH TYR 26 42.742 -6.258 -8.652 206 H PHE 27 H PHE 27 37.229 0.017 -8.485 207 HA PHE 27 HA PHE 27 38.716 -0.511 -10.971 208 1HB PHE 27 1HB PHE 27 36.137 -0.788 -10.476 209 2HB PHE 27 2HB PHE 27 36.094 0.947 -10.793 210 HD1 PHE 27 HD1 PHE 27 37.355 1.744 -12.960 211 HD2 PHE 27 HD2 PHE 27 35.992 -2.272 -12.283 212 HE1 PHE 27 HE1 PHE 27 37.417 1.312 -15.401 213 HE2 PHE 27 HE2 PHE 27 36.054 -2.705 -14.725 214 HZ PHE 27 HZ PHE 27 36.768 -0.913 -16.284 215 H ALA 28 H ALA 28 37.612 2.125 -8.965 216 HA ALA 28 HA ALA 28 38.571 4.175 -10.839 217 1HB ALA 28 1HB ALA 28 36.848 4.069 -8.448 218 2HB ALA 28 2HB ALA 28 37.839 5.523 -8.579 219 3HB ALA 28 3HB ALA 28 36.727 5.092 -9.879 220 H ALA 29 H ALA 29 39.046 3.866 -7.311 221 HA ALA 29 HA ALA 29 41.561 5.312 -7.468 222 1HB ALA 29 1HB ALA 29 39.866 5.381 -5.566 223 2HB ALA 29 2HB ALA 29 40.501 3.810 -5.077 224 3HB ALA 29 3HB ALA 29 41.557 5.222 -5.093 225 H LEU 30 H LEU 30 40.867 2.036 -6.166 226 HA LEU 30 HA LEU 30 43.717 1.394 -6.317 227 1HB LEU 30 1HB LEU 30 41.274 -0.071 -5.348 228 2HB LEU 30 2HB LEU 30 42.819 -0.902 -5.518 229 HG LEU 30 HG LEU 30 42.433 1.651 -3.931 230 1HD1 LEU 30 1HD1 LEU 30 41.755 -1.075 -3.288 231 2HD1 LEU 30 2HD1 LEU 30 43.083 -0.540 -2.258 232 3HD1 LEU 30 3HD1 LEU 30 41.573 0.370 -2.295 233 1HD2 LEU 30 1HD2 LEU 30 44.711 -0.346 -4.138 234 2HD2 LEU 30 2HD2 LEU 30 44.719 1.312 -4.738 235 3HD2 LEU 30 3HD2 LEU 30 44.658 1.003 -3.003 236 H SER 31 H SER 31 42.162 1.846 -8.849 237 HA SER 31 HA SER 31 42.017 -0.795 -10.088 238 1HB SER 31 1HB SER 31 40.718 0.293 -11.566 239 2HB SER 31 2HB SER 31 41.002 1.778 -10.664 240 HG SER 31 HG SER 31 42.156 2.417 -12.287 241 HA PRO 32 HA PRO 32 46.063 0.828 -12.143 242 1HB PRO 32 1HB PRO 32 46.780 3.413 -11.654 243 2HB PRO 32 2HB PRO 32 45.623 2.950 -12.913 244 1HG PRO 32 1HG PRO 32 45.141 4.379 -10.421 245 2HG PRO 32 2HG PRO 32 44.064 4.157 -11.808 246 1HD PRO 32 1HD PRO 32 44.103 2.702 -9.276 247 2HD PRO 32 2HD PRO 32 42.878 2.673 -10.555 248 H ALA 33 H ALA 33 45.467 1.478 -8.816 249 HA ALA 33 HA ALA 33 48.002 2.122 -7.791 250 1HB ALA 33 1HB ALA 33 45.538 1.342 -6.740 251 2HB ALA 33 2HB ALA 33 46.660 0.105 -6.173 252 3HB ALA 33 3HB ALA 33 46.965 1.806 -5.813 253 H ILE 34 H ILE 34 46.891 -0.879 -9.163 254 HA ILE 34 HA ILE 34 48.939 -2.551 -7.983 255 HB ILE 34 HB ILE 34 47.853 -3.306 -10.646 256 1HG1 ILE 34 1HG1 ILE 34 46.139 -2.863 -8.186 257 2HG1 ILE 34 2HG1 ILE 34 45.859 -2.266 -9.823 258 1HG2 ILE 34 1HG2 ILE 34 49.215 -4.811 -9.210 259 2HG2 ILE 34 2HG2 ILE 34 47.982 -4.700 -7.955 260 3HG2 ILE 34 3HG2 ILE 34 47.601 -5.459 -9.501 261 1HD1 ILE 34 1HD1 ILE 34 45.740 -4.728 -10.534 262 2HD1 ILE 34 2HD1 ILE 34 45.627 -5.105 -8.814 263 3HD1 ILE 34 3HD1 ILE 34 44.384 -4.118 -9.585 264 H THR 35 H THR 35 48.623 -1.808 -11.466 265 HA THR 35 HA THR 35 51.333 -2.337 -12.071 266 HB THR 35 HB THR 35 49.715 -0.278 -13.561 267 HG1 THR 35 HG1 THR 35 49.374 -3.073 -13.395 268 1HG2 THR 35 1HG2 THR 35 52.109 -0.909 -14.181 269 2HG2 THR 35 2HG2 THR 35 51.481 -2.507 -14.584 270 3HG2 THR 35 3HG2 THR 35 50.911 -1.088 -15.462 271 H PHE 36 H PHE 36 49.797 0.862 -11.673 272 HA PHE 36 HA PHE 36 52.131 2.412 -11.874 273 1HB PHE 36 1HB PHE 36 49.442 2.845 -11.076 274 2HB PHE 36 2HB PHE 36 50.468 3.514 -9.805 275 HD1 PHE 36 HD1 PHE 36 52.630 4.807 -10.748 276 HD2 PHE 36 HD2 PHE 36 48.949 4.228 -12.884 277 HE1 PHE 36 HE1 PHE 36 53.169 6.744 -12.200 278 HE2 PHE 36 HE2 PHE 36 49.489 6.165 -14.337 279 HZ PHE 36 HZ PHE 36 51.599 7.422 -13.995 280 H GLY 37 H GLY 37 53.986 2.004 -10.778 281 1HA GLY 37 1HA GLY 37 54.107 2.282 -7.915 282 2HA GLY 37 2HA GLY 37 54.269 0.585 -8.370 283 H GLY 38 H GLY 38 56.454 1.509 -7.183 284 1HA GLY 38 1HA GLY 38 58.545 1.178 -9.058 285 2HA GLY 38 2HA GLY 38 58.336 2.914 -8.822 286 H LEU 39 H LEU 39 57.582 2.835 -6.071 287 HA LEU 39 HA LEU 39 60.143 2.849 -4.822 288 1HB LEU 39 1HB LEU 39 57.402 2.610 -3.539 289 2HB LEU 39 2HB LEU 39 58.888 3.066 -2.705 290 HG LEU 39 HG LEU 39 58.978 4.862 -4.698 291 1HD1 LEU 39 1HD1 LEU 39 56.202 3.842 -4.610 292 2HD1 LEU 39 2HD1 LEU 39 56.353 5.599 -4.574 293 3HD1 LEU 39 3HD1 LEU 39 57.052 4.681 -5.907 294 1HD2 LEU 39 1HD2 LEU 39 57.727 4.857 -1.990 295 2HD2 LEU 39 2HD2 LEU 39 59.085 5.804 -2.598 296 3HD2 LEU 39 3HD2 LEU 39 57.433 6.269 -3.006 297 H LEU 40 H LEU 40 58.152 1.027 -2.756 298 HA LEU 40 HA LEU 40 59.815 -1.378 -3.313 299 1HB LEU 40 1HB LEU 40 58.850 -0.067 -0.888 300 2HB LEU 40 2HB LEU 40 58.443 -1.785 -0.912 301 HG LEU 40 HG LEU 40 60.659 -1.456 0.096 302 1HD1 LEU 40 1HD1 LEU 40 60.046 -3.111 -2.138 303 2HD1 LEU 40 2HD1 LEU 40 61.711 -2.565 -2.334 304 3HD1 LEU 40 3HD1 LEU 40 61.228 -3.412 -0.864 305 1HD2 LEU 40 1HD2 LEU 40 61.114 0.681 -1.192 306 2HD2 LEU 40 2HD2 LEU 40 62.473 -0.441 -1.136 307 3HD2 LEU 40 3HD2 LEU 40 61.486 -0.323 -2.593 308 H GLY 41 H GLY 41 56.747 -1.267 -1.594 309 1HA GLY 41 1HA GLY 41 54.904 -2.736 -1.860 310 2HA GLY 41 2HA GLY 41 54.825 -1.903 -3.409 311 H GLU 42 H GLU 42 57.380 -4.123 -2.368 312 HA GLU 42 HA GLU 42 56.921 -5.699 -4.809 313 1HB GLU 42 1HB GLU 42 59.021 -6.774 -4.303 314 2HB GLU 42 2HB GLU 42 59.228 -5.045 -4.024 315 1HG GLU 42 1HG GLU 42 58.621 -5.518 -1.580 316 2HG GLU 42 2HG GLU 42 58.838 -7.226 -1.968 317 H LYS 43 H LYS 43 54.986 -5.767 -2.533 318 HA LYS 43 HA LYS 43 55.307 -8.540 -1.540 319 1HB LYS 43 1HB LYS 43 53.450 -6.259 -0.855 320 2HB LYS 43 2HB LYS 43 53.129 -7.901 -0.298 321 1HG LYS 43 1HG LYS 43 55.234 -7.995 0.877 322 2HG LYS 43 2HG LYS 43 55.758 -6.469 0.164 323 1HD LYS 43 1HD LYS 43 54.572 -5.231 1.654 324 2HD LYS 43 2HD LYS 43 53.176 -6.306 1.571 325 1HE LYS 43 1HE LYS 43 53.880 -6.723 3.740 326 2HE LYS 43 2HE LYS 43 54.791 -7.959 2.872 327 1HZ LYS 43 1HZ LYS 43 56.404 -5.813 2.687 328 2HZ LYS 43 2HZ LYS 43 55.727 -5.596 4.229 329 3HZ LYS 43 3HZ LYS 43 56.552 -7.034 3.856 Start of MODEL 18 1 1H ACE 1 HA1 ACE 1 14.065 -13.939 5.902 2 2H ACE 1 HA2 ACE 1 14.169 -12.183 6.034 3 3H ACE 1 HA3 ACE 1 15.638 -13.144 5.865 4 H ARG 2 H ARG 2 13.272 -11.387 4.177 5 HA ARG 2 HA ARG 2 14.056 -12.669 1.593 6 1HB ARG 2 1HB ARG 2 11.739 -10.779 2.098 7 2HB ARG 2 2HB ARG 2 12.032 -11.743 0.650 8 1HG ARG 2 1HG ARG 2 12.014 -13.415 3.027 9 2HG ARG 2 2HG ARG 2 10.510 -12.505 2.882 10 1HD ARG 2 1HD ARG 2 9.929 -14.233 1.499 11 2HD ARG 2 2HD ARG 2 10.824 -13.291 0.308 12 HE ARG 2 HE ARG 2 12.669 -14.831 0.530 13 1HH1 ARG 2 1HH2 ARG 2 10.475 -16.825 0.291 14 2HH1 ARG 2 2HH2 ARG 2 10.758 -17.858 1.651 15 1HH2 ARG 2 1HH1 ARG 2 12.827 -15.599 3.275 16 2HH2 ARG 2 2HH1 ARG 2 12.083 -17.161 3.345 17 H TYR 3 H TYR 3 15.459 -11.532 0.352 18 HA TYR 3 HA TYR 3 16.930 -9.771 -0.208 19 1HB TYR 3 1HB TYR 3 15.571 -7.661 -0.820 20 2HB TYR 3 2HB TYR 3 15.183 -9.151 -1.678 21 HD1 TYR 3 HD1 TYR 3 13.153 -10.445 -1.110 22 HD2 TYR 3 HD2 TYR 3 14.038 -6.690 0.776 23 HE1 TYR 3 HE1 TYR 3 10.818 -10.310 -0.287 24 HE2 TYR 3 HE2 TYR 3 11.704 -6.554 1.600 25 HH TYR 3 HH TYR 3 9.826 -8.460 2.124 26 HA PRO 4 HA PRO 4 17.121 -7.829 3.980 27 1HB PRO 4 1HB PRO 4 19.394 -9.111 4.774 28 2HB PRO 4 2HB PRO 4 17.773 -9.785 5.004 29 1HG PRO 4 1HG PRO 4 19.894 -10.657 3.192 30 2HG PRO 4 2HG PRO 4 18.429 -11.511 3.699 31 1HD PRO 4 1HD PRO 4 18.907 -10.083 1.224 32 2HD PRO 4 2HD PRO 4 17.496 -11.050 1.688 33 H TYR 5 H TYR 5 19.913 -8.648 1.886 34 HA TYR 5 HA TYR 5 21.511 -6.397 2.677 35 1HB TYR 5 1HB TYR 5 21.516 -8.301 0.356 36 2HB TYR 5 2HB TYR 5 22.536 -6.864 0.291 37 HD1 TYR 5 HD1 TYR 5 21.672 -8.509 3.471 38 HD2 TYR 5 HD2 TYR 5 24.638 -8.112 0.386 39 HE1 TYR 5 HE1 TYR 5 23.339 -9.631 4.926 40 HE2 TYR 5 HE2 TYR 5 26.301 -9.234 1.842 41 HH TYR 5 HH TYR 5 25.605 -11.050 4.369 42 H TYR 6 H TYR 6 18.672 -6.583 0.842 43 HA TYR 6 HA TYR 6 19.288 -4.267 -0.866 44 1HB TYR 6 1HB TYR 6 16.928 -6.100 -0.527 45 2HB TYR 6 2HB TYR 6 16.748 -4.578 -1.397 46 HD1 TYR 6 HD1 TYR 6 19.714 -6.846 -1.241 47 HD2 TYR 6 HD2 TYR 6 16.554 -5.227 -3.660 48 HE1 TYR 6 HE1 TYR 6 20.729 -7.876 -3.255 49 HE2 TYR 6 HE2 TYR 6 17.571 -6.257 -5.675 50 HH TYR 6 HH TYR 6 20.405 -8.374 -5.427 51 H LEU 7 H LEU 7 16.464 -4.850 1.254 52 HA LEU 7 HA LEU 7 16.132 -1.998 1.684 53 1HB LEU 7 1HB LEU 7 14.250 -3.662 1.646 54 2HB LEU 7 2HB LEU 7 14.830 -4.277 3.194 55 HG LEU 7 HG LEU 7 14.735 -1.556 3.637 56 1HD1 LEU 7 1HD1 LEU 7 13.564 -1.308 1.433 57 2HD1 LEU 7 2HD1 LEU 7 12.268 -2.330 2.053 58 3HD1 LEU 7 3HD1 LEU 7 12.594 -0.767 2.803 59 1HD2 LEU 7 1HD2 LEU 7 13.909 -3.539 5.027 60 2HD2 LEU 7 2HD2 LEU 7 12.925 -2.078 5.114 61 3HD2 LEU 7 3HD2 LEU 7 12.406 -3.432 4.110 62 H SER 8 H SER 8 16.885 -4.673 3.950 63 HA SER 8 HA SER 8 17.320 -3.280 6.280 64 1HB SER 8 1HB SER 8 18.185 -5.242 6.971 65 2HB SER 8 2HB SER 8 18.021 -5.812 5.312 66 HG SER 8 HG SER 8 20.156 -6.031 5.943 67 H ASP 9 H ASP 9 19.285 -3.087 3.393 68 HA ASP 9 HA ASP 9 21.539 -1.815 4.742 69 1HB ASP 9 1HB ASP 9 20.869 -2.688 2.027 70 2HB ASP 9 2HB ASP 9 21.773 -1.174 2.064 71 H ILE 10 H ILE 10 18.852 -0.674 2.687 72 HA ILE 10 HA ILE 10 19.660 2.071 2.666 73 HB ILE 10 HB ILE 10 16.868 0.909 2.444 74 1HG1 ILE 10 1HG1 ILE 10 18.367 1.837 0.062 75 2HG1 ILE 10 2HG1 ILE 10 18.983 0.365 0.814 76 1HG2 ILE 10 1HG2 ILE 10 17.905 3.619 2.439 77 2HG2 ILE 10 2HG2 ILE 10 17.160 3.234 0.888 78 3HG2 ILE 10 3HG2 ILE 10 16.229 3.071 2.378 79 1HD1 ILE 10 1HD1 ILE 10 16.037 0.520 0.480 80 2HD1 ILE 10 2HD1 ILE 10 16.978 0.358 -1.003 81 3HD1 ILE 10 3HD1 ILE 10 17.123 -0.853 0.270 82 H THR 11 H THR 11 17.850 0.173 5.015 83 HA THR 11 HA THR 11 17.008 2.551 6.504 84 HB THR 11 HB THR 11 16.353 0.723 8.223 85 HG1 THR 11 HG1 THR 11 16.091 -1.274 6.722 86 1HG2 THR 11 1HG2 THR 11 15.216 1.383 5.583 87 2HG2 THR 11 2HG2 THR 11 14.609 -0.115 6.288 88 3HG2 THR 11 3HG2 THR 11 14.456 1.402 7.174 89 H ASP 12 H ASP 12 19.421 -0.042 6.922 90 HA ASP 12 HA ASP 12 20.385 1.120 9.427 91 1HB ASP 12 1HB ASP 12 20.868 -1.308 7.849 92 2HB ASP 12 2HB ASP 12 22.322 -0.662 8.611 93 H ALA 13 H ALA 13 20.704 2.180 6.349 94 HA ALA 13 HA ALA 13 23.585 2.823 6.507 95 1HB ALA 13 1HB ALA 13 21.463 3.215 4.396 96 2HB ALA 13 2HB ALA 13 23.053 3.967 4.267 97 3HB ALA 13 3HB ALA 13 22.910 2.210 4.314 98 H PHE 14 H PHE 14 21.323 4.008 8.244 99 HA PHE 14 HA PHE 14 21.463 6.850 7.476 100 1HB PHE 14 1HB PHE 14 19.341 5.796 8.310 101 2HB PHE 14 2HB PHE 14 20.120 5.592 9.880 102 HD1 PHE 14 HD1 PHE 14 19.989 8.360 7.333 103 HD2 PHE 14 HD2 PHE 14 19.413 7.179 11.423 104 HE1 PHE 14 HE1 PHE 14 19.406 10.698 7.927 105 HE2 PHE 14 HE2 PHE 14 18.831 9.516 12.017 106 HZ PHE 14 HZ PHE 14 18.828 11.276 10.270 107 H SER 15 H SER 15 23.839 5.226 8.586 108 HA SER 15 HA SER 15 24.886 7.337 10.251 109 1HB SER 15 1HB SER 15 23.301 5.517 11.574 110 2HB SER 15 2HB SER 15 24.917 4.860 11.812 111 HG SER 15 HG SER 15 24.890 7.553 12.125 112 HA PRO 16 HA PRO 16 28.147 3.847 9.762 113 1HB PRO 16 1HB PRO 16 27.345 1.377 8.917 114 2HB PRO 16 2HB PRO 16 27.360 1.872 10.619 115 1HG PRO 16 1HG PRO 16 25.079 1.433 8.830 116 2HG PRO 16 2HG PRO 16 25.134 1.474 10.598 117 1HD PRO 16 1HD PRO 16 24.253 3.536 8.824 118 2HD PRO 16 2HD PRO 16 24.337 3.594 10.590 119 H GLN 17 H GLN 17 25.634 4.074 7.362 120 HA GLN 17 HA GLN 17 27.239 3.189 5.113 121 1HB GLN 17 1HB GLN 17 24.881 3.162 4.776 122 2HB GLN 17 2HB GLN 17 24.699 4.809 5.377 123 1HG GLN 17 1HG GLN 17 26.415 4.308 2.965 124 2HG GLN 17 2HG GLN 17 24.661 4.361 2.785 125 1HE2 GLN 17 2HE2 GLN 17 25.779 6.394 1.464 126 2HE2 GLN 17 1HE2 GLN 17 25.717 7.855 2.325 127 H VAL 18 H VAL 18 27.183 5.985 7.063 128 HA VAL 18 HA VAL 18 28.244 7.797 5.015 129 HB VAL 18 HB VAL 18 27.545 7.991 7.924 130 1HG1 VAL 18 1HG1 VAL 18 29.551 9.649 6.454 131 2HG1 VAL 18 2HG1 VAL 18 28.408 10.493 7.498 132 3HG1 VAL 18 3HG1 VAL 18 29.464 9.252 8.171 133 1HG2 VAL 18 1HG2 VAL 18 26.652 9.076 5.314 134 2HG2 VAL 18 2HG2 VAL 18 25.708 8.669 6.746 135 3HG2 VAL 18 3HG2 VAL 18 26.584 10.199 6.672 136 H LEU 19 H LEU 19 29.466 5.793 7.652 137 HA LEU 19 HA LEU 19 32.145 6.862 7.674 138 1HB LEU 19 1HB LEU 19 30.807 5.020 9.195 139 2HB LEU 19 2HB LEU 19 31.818 3.963 8.209 140 HG LEU 19 HG LEU 19 33.750 5.575 8.833 141 1HD1 LEU 19 1HD1 LEU 19 32.091 7.262 9.797 142 2HD1 LEU 19 2HD1 LEU 19 31.901 6.155 11.157 143 3HD1 LEU 19 3HD1 LEU 19 33.475 6.877 10.821 144 1HD2 LEU 19 1HD2 LEU 19 32.885 3.201 9.874 145 2HD2 LEU 19 2HD2 LEU 19 34.362 4.016 10.386 146 3HD2 LEU 19 3HD2 LEU 19 32.877 4.218 11.315 147 H ALA 20 H ALA 20 30.766 3.952 6.101 148 HA ALA 20 HA ALA 20 33.050 3.207 4.613 149 1HB ALA 20 1HB ALA 20 30.114 2.830 4.347 150 2HB ALA 20 2HB ALA 20 31.059 2.596 2.877 151 3HB ALA 20 3HB ALA 20 31.406 1.630 4.311 152 H ALA 21 H ALA 21 30.355 5.327 3.687 153 HA ALA 21 HA ALA 21 31.101 6.149 1.153 154 1HB ALA 21 1HB ALA 21 29.458 7.169 3.253 155 2HB ALA 21 2HB ALA 21 30.423 8.508 2.634 156 3HB ALA 21 3HB ALA 21 29.397 7.582 1.539 157 H VAL 22 H VAL 22 32.175 7.629 4.187 158 HA VAL 22 HA VAL 22 33.945 9.545 3.284 159 HB VAL 22 HB VAL 22 34.132 7.654 5.632 160 1HG1 VAL 22 1HG1 VAL 22 36.093 9.799 4.777 161 2HG1 VAL 22 2HG1 VAL 22 35.954 9.257 6.449 162 3HG1 VAL 22 3HG1 VAL 22 36.440 8.120 5.192 163 1HG2 VAL 22 1HG2 VAL 22 33.367 10.519 5.130 164 2HG2 VAL 22 2HG2 VAL 22 32.480 9.270 6.004 165 3HG2 VAL 22 3HG2 VAL 22 33.900 10.018 6.735 166 H ILE 23 H ILE 23 34.709 6.062 3.648 167 HA ILE 23 HA ILE 23 37.383 6.330 2.622 168 HB ILE 23 HB ILE 23 35.652 3.851 2.452 169 1HG1 ILE 23 1HG1 ILE 23 37.283 4.916 4.782 170 2HG1 ILE 23 2HG1 ILE 23 35.526 4.762 4.732 171 1HG2 ILE 23 1HG2 ILE 23 38.192 4.312 1.534 172 2HG2 ILE 23 2HG2 ILE 23 38.517 3.725 3.165 173 3HG2 ILE 23 3HG2 ILE 23 37.595 2.731 2.038 174 1HD1 ILE 23 1HD1 ILE 23 36.020 2.251 4.180 175 2HD1 ILE 23 2HD1 ILE 23 37.607 2.595 4.866 176 3HD1 ILE 23 3HD1 ILE 23 36.158 2.803 5.849 177 H PHE 24 H PHE 24 34.257 5.650 1.060 178 HA PHE 24 HA PHE 24 35.184 4.970 -1.515 179 1HB PHE 24 1HB PHE 24 32.711 5.546 -0.381 180 2HB PHE 24 2HB PHE 24 32.913 6.823 -1.581 181 HD1 PHE 24 HD1 PHE 24 33.242 3.109 -1.165 182 HD2 PHE 24 HD2 PHE 24 32.486 6.382 -3.845 183 HE1 PHE 24 HE1 PHE 24 32.704 1.502 -2.977 184 HE2 PHE 24 HE2 PHE 24 31.948 4.774 -5.655 185 HZ PHE 24 HZ PHE 24 32.058 2.336 -5.221 186 H ILE 25 H ILE 25 34.814 8.150 0.004 187 HA ILE 25 HA ILE 25 35.557 9.666 -2.349 188 HB ILE 25 HB ILE 25 36.083 10.569 0.487 189 1HG1 ILE 25 1HG1 ILE 25 33.414 10.325 -0.934 190 2HG1 ILE 25 2HG1 ILE 25 33.870 9.612 0.612 191 1HG2 ILE 25 1HG2 ILE 25 36.533 11.843 -1.810 192 2HG2 ILE 25 2HG2 ILE 25 34.813 12.208 -1.670 193 3HG2 ILE 25 3HG2 ILE 25 35.926 12.702 -0.395 194 1HD1 ILE 25 1HD1 ILE 25 34.293 12.483 0.649 195 2HD1 ILE 25 2HD1 ILE 25 32.626 12.100 0.218 196 3HD1 ILE 25 3HD1 ILE 25 33.311 11.489 1.723 197 H TYR 26 H TYR 26 37.378 8.227 0.371 198 HA TYR 26 HA TYR 26 39.895 9.383 -0.369 199 1HB TYR 26 1HB TYR 26 39.354 8.057 1.785 200 2HB TYR 26 2HB TYR 26 39.640 6.613 0.807 201 HD1 TYR 26 HD1 TYR 26 41.233 10.006 1.020 202 HD2 TYR 26 HD2 TYR 26 41.787 5.748 1.128 203 HE1 TYR 26 HE1 TYR 26 43.683 10.331 1.226 204 HE2 TYR 26 HE2 TYR 26 44.238 6.073 1.330 205 HH TYR 26 HH TYR 26 45.758 9.007 0.706 206 H PHE 27 H PHE 27 37.908 6.935 -1.750 207 HA PHE 27 HA PHE 27 39.984 5.624 -3.328 208 1HB PHE 27 1HB PHE 27 37.381 4.992 -2.739 209 2HB PHE 27 2HB PHE 27 37.186 5.695 -4.343 210 HD1 PHE 27 HD1 PHE 27 39.384 3.255 -2.511 211 HD2 PHE 27 HD2 PHE 27 37.486 4.325 -6.215 212 HE1 PHE 27 HE1 PHE 27 40.200 1.151 -3.541 213 HE2 PHE 27 HE2 PHE 27 38.302 2.221 -7.240 214 HZ PHE 27 HZ PHE 27 39.659 0.634 -5.904 215 H ALA 28 H ALA 28 37.742 8.265 -3.616 216 HA ALA 28 HA ALA 28 38.082 8.945 -6.356 217 1HB ALA 28 1HB ALA 28 36.819 10.008 -4.047 218 2HB ALA 28 2HB ALA 28 37.879 11.280 -4.655 219 3HB ALA 28 3HB ALA 28 36.649 10.581 -5.707 220 H ALA 29 H ALA 29 39.743 10.069 -3.444 221 HA ALA 29 HA ALA 29 41.660 11.775 -4.683 222 1HB ALA 29 1HB ALA 29 41.228 10.519 -2.056 223 2HB ALA 29 2HB ALA 29 42.912 10.890 -2.423 224 3HB ALA 29 3HB ALA 29 41.700 12.172 -2.449 225 H LEU 30 H LEU 30 41.898 8.379 -3.686 226 HA LEU 30 HA LEU 30 44.590 7.845 -4.132 227 1HB LEU 30 1HB LEU 30 44.050 5.592 -4.123 228 2HB LEU 30 2HB LEU 30 42.600 6.280 -3.396 229 HG LEU 30 HG LEU 30 41.791 6.428 -5.911 230 1HD1 LEU 30 1HD1 LEU 30 44.266 4.931 -6.073 231 2HD1 LEU 30 2HD1 LEU 30 42.908 3.968 -6.651 232 3HD1 LEU 30 3HD1 LEU 30 43.245 5.540 -7.376 233 1HD2 LEU 30 1HD2 LEU 30 41.534 4.498 -3.801 234 2HD2 LEU 30 2HD2 LEU 30 40.361 4.914 -5.051 235 3HD2 LEU 30 3HD2 LEU 30 41.549 3.644 -5.345 236 H SER 31 H SER 31 42.400 8.835 -6.537 237 HA SER 31 HA SER 31 42.817 7.695 -8.894 238 1HB SER 31 1HB SER 31 41.888 9.683 -9.389 239 2HB SER 31 2HB SER 31 42.744 10.501 -8.086 240 HG SER 31 HG SER 31 43.427 10.143 -10.753 241 HA PRO 32 HA PRO 32 47.404 9.001 -9.493 242 1HB PRO 32 1HB PRO 32 48.595 10.500 -7.542 243 2HB PRO 32 2HB PRO 32 47.662 11.193 -8.878 244 1HG PRO 32 1HG PRO 32 46.992 11.053 -6.042 245 2HG PRO 32 2HG PRO 32 46.248 12.023 -7.324 246 1HD PRO 32 1HD PRO 32 45.318 9.539 -6.169 247 2HD PRO 32 2HD PRO 32 44.484 10.577 -7.337 248 H ALA 33 H ALA 33 46.595 8.179 -6.150 249 HA ALA 33 HA ALA 33 49.002 7.034 -5.258 250 1HB ALA 33 1HB ALA 33 46.228 6.901 -4.545 251 2HB ALA 33 2HB ALA 33 46.895 5.269 -4.520 252 3HB ALA 33 3HB ALA 33 47.634 6.539 -3.544 253 H ILE 34 H ILE 34 46.882 5.983 -7.785 254 HA ILE 34 HA ILE 34 47.181 3.266 -8.005 255 HB ILE 34 HB ILE 34 46.155 4.860 -9.719 256 1HG1 ILE 34 1HG1 ILE 34 46.995 3.290 -11.664 257 2HG1 ILE 34 2HG1 ILE 34 47.799 2.426 -10.353 258 1HG2 ILE 34 1HG2 ILE 34 48.437 6.095 -9.914 259 2HG2 ILE 34 2HG2 ILE 34 48.881 4.782 -11.003 260 3HG2 ILE 34 3HG2 ILE 34 47.510 5.822 -11.389 261 1HD1 ILE 34 1HD1 ILE 34 45.113 3.050 -9.545 262 2HD1 ILE 34 2HD1 ILE 34 45.067 2.261 -11.121 263 3HD1 ILE 34 3HD1 ILE 34 45.854 1.464 -9.759 264 H THR 35 H THR 35 49.708 5.678 -8.602 265 HA THR 35 HA THR 35 51.727 4.001 -9.643 266 HB THR 35 HB THR 35 53.079 5.683 -7.887 267 HG1 THR 35 HG1 THR 35 51.704 7.126 -7.287 268 1HG2 THR 35 1HG2 THR 35 53.220 5.292 -10.450 269 2HG2 THR 35 2HG2 THR 35 52.082 6.635 -10.563 270 3HG2 THR 35 3HG2 THR 35 53.664 6.880 -9.822 271 H PHE 36 H PHE 36 51.163 4.886 -6.244 272 HA PHE 36 HA PHE 36 52.978 3.099 -5.048 273 1HB PHE 36 1HB PHE 36 51.617 4.893 -3.887 274 2HB PHE 36 2HB PHE 36 50.241 3.793 -3.948 275 HD1 PHE 36 HD1 PHE 36 53.902 3.499 -3.125 276 HD2 PHE 36 HD2 PHE 36 49.853 2.654 -1.966 277 HE1 PHE 36 HE1 PHE 36 54.726 2.340 -1.092 278 HE2 PHE 36 HE2 PHE 36 50.675 1.495 0.067 279 HZ PHE 36 HZ PHE 36 53.112 1.337 0.503 280 H GLY 37 H GLY 37 53.066 0.917 -5.224 281 1HA GLY 37 1HA GLY 37 50.809 -0.587 -6.291 282 2HA GLY 37 2HA GLY 37 52.365 -1.262 -5.808 283 H GLY 38 H GLY 38 50.493 -2.849 -5.014 284 1HA GLY 38 1HA GLY 38 50.604 -3.031 -2.222 285 2HA GLY 38 2HA GLY 38 49.112 -2.155 -2.574 286 H LEU 39 H LEU 39 50.650 -4.775 -4.433 287 HA LEU 39 HA LEU 39 48.069 -6.173 -4.560 288 1HB LEU 39 1HB LEU 39 49.189 -7.678 -6.107 289 2HB LEU 39 2HB LEU 39 49.624 -6.019 -6.523 290 HG LEU 39 HG LEU 39 51.574 -6.638 -4.707 291 1HD1 LEU 39 1HD1 LEU 39 50.555 -9.042 -4.857 292 2HD1 LEU 39 2HD1 LEU 39 51.373 -9.106 -6.418 293 3HD1 LEU 39 3HD1 LEU 39 52.307 -8.854 -4.943 294 1HD2 LEU 39 1HD2 LEU 39 51.505 -5.791 -7.243 295 2HD2 LEU 39 2HD2 LEU 39 52.995 -6.392 -6.516 296 3HD2 LEU 39 3HD2 LEU 39 52.031 -7.446 -7.549 297 H LEU 40 H LEU 40 47.764 -8.353 -3.796 298 HA LEU 40 HA LEU 40 49.505 -9.007 -1.463 299 1HB LEU 40 1HB LEU 40 47.415 -10.633 -1.077 300 2HB LEU 40 2HB LEU 40 47.380 -8.949 -0.557 301 HG LEU 40 HG LEU 40 46.518 -9.594 -3.352 302 1HD1 LEU 40 1HD1 LEU 40 44.798 -9.965 -0.882 303 2HD1 LEU 40 2HD1 LEU 40 44.218 -9.999 -2.547 304 3HD1 LEU 40 3HD1 LEU 40 45.324 -11.246 -1.974 305 1HD2 LEU 40 1HD2 LEU 40 46.663 -7.317 -1.763 306 2HD2 LEU 40 2HD2 LEU 40 45.733 -7.472 -3.254 307 3HD2 LEU 40 3HD2 LEU 40 44.956 -7.755 -1.697 308 H GLY 41 H GLY 41 47.372 -11.213 -3.222 309 1HA GLY 41 1HA GLY 41 47.835 -13.308 -4.176 310 2HA GLY 41 2HA GLY 41 49.261 -12.519 -4.856 311 H GLU 42 H GLU 42 50.819 -14.089 -4.471 312 HA GLU 42 HA GLU 42 50.985 -15.683 -2.106 313 1HB GLU 42 1HB GLU 42 52.180 -16.034 -4.362 314 2HB GLU 42 2HB GLU 42 53.375 -14.877 -3.770 315 1HG GLU 42 1HG GLU 42 53.086 -16.565 -1.614 316 2HG GLU 42 2HG GLU 42 52.924 -17.672 -2.978 317 H LYS 43 H LYS 43 52.256 -12.485 -2.900 318 HA LYS 43 HA LYS 43 54.079 -12.209 -0.732 319 1HB LYS 43 1HB LYS 43 54.114 -10.548 -2.464 320 2HB LYS 43 2HB LYS 43 52.406 -10.176 -2.227 321 1HG LYS 43 1HG LYS 43 53.753 -8.439 -1.171 322 2HG LYS 43 2HG LYS 43 52.938 -9.381 0.078 323 1HD LYS 43 1HD LYS 43 55.125 -9.275 0.901 324 2HD LYS 43 2HD LYS 43 55.129 -10.822 0.051 325 1HE LYS 43 1HE LYS 43 55.874 -9.352 -2.006 326 2HE LYS 43 2HE LYS 43 56.374 -8.213 -0.756 327 1HZ LYS 43 1HZ LYS 43 57.177 -10.848 -0.091 328 2HZ LYS 43 2HZ LYS 43 57.754 -10.434 -1.632 329 3HZ LYS 43 3HZ LYS 43 58.130 -9.456 -0.294 Start of MODEL 19 1 1H ACE 1 HA1 ACE 1 34.282 -26.819 -0.559 2 2H ACE 1 HA2 ACE 1 36.022 -26.646 -0.330 3 3H ACE 1 HA3 ACE 1 35.352 -26.748 -1.958 4 H ARG 2 H ARG 2 35.390 -24.794 -2.945 5 HA ARG 2 HA ARG 2 35.883 -22.315 -1.726 6 1HB ARG 2 1HB ARG 2 35.323 -23.225 -4.328 7 2HB ARG 2 2HB ARG 2 34.107 -21.991 -3.996 8 1HG ARG 2 1HG ARG 2 36.017 -20.853 -4.911 9 2HG ARG 2 2HG ARG 2 35.992 -20.501 -3.183 10 1HD ARG 2 1HD ARG 2 37.700 -22.144 -2.745 11 2HD ARG 2 2HD ARG 2 37.608 -22.756 -4.397 12 HE ARG 2 HE ARG 2 38.258 -20.030 -4.615 13 1HH1 ARG 2 1HH1 ARG 2 39.565 -21.940 -2.222 14 2HH1 ARG 2 2HH1 ARG 2 41.197 -21.877 -2.799 15 1HH2 ARG 2 1HH2 ARG 2 40.361 -20.349 -5.798 16 2HH2 ARG 2 2HH2 ARG 2 41.648 -20.974 -4.822 17 H TYR 3 H TYR 3 34.119 -20.429 -1.959 18 HA TYR 3 HA TYR 3 31.458 -21.332 -1.050 19 1HB TYR 3 1HB TYR 3 33.458 -20.527 0.781 20 2HB TYR 3 2HB TYR 3 32.333 -19.174 0.657 21 HD1 TYR 3 HD1 TYR 3 29.854 -20.806 -0.065 22 HD2 TYR 3 HD2 TYR 3 32.855 -21.318 2.967 23 HE1 TYR 3 HE1 TYR 3 28.221 -22.029 1.346 24 HE2 TYR 3 HE2 TYR 3 31.222 -22.541 4.377 25 HH TYR 3 HH TYR 3 27.828 -22.851 3.406 26 HA PRO 4 HA PRO 4 31.013 -17.689 -3.762 27 1HB PRO 4 1HB PRO 4 28.922 -18.733 -5.170 28 2HB PRO 4 2HB PRO 4 30.618 -19.067 -5.557 29 1HG PRO 4 1HG PRO 4 28.596 -20.835 -4.378 30 2HG PRO 4 2HG PRO 4 30.117 -21.242 -5.188 31 1HD PRO 4 1HD PRO 4 29.596 -21.182 -2.368 32 2HD PRO 4 2HD PRO 4 31.122 -21.557 -3.185 33 H TYR 5 H TYR 5 28.454 -19.569 -2.132 34 HA TYR 5 HA TYR 5 26.501 -17.457 -2.153 35 1HB TYR 5 1HB TYR 5 26.642 -20.135 -1.243 36 2HB TYR 5 2HB TYR 5 26.232 -19.158 0.165 37 HD1 TYR 5 HD1 TYR 5 24.833 -16.905 -1.392 38 HD2 TYR 5 HD2 TYR 5 24.493 -21.184 -1.552 39 HE1 TYR 5 HE1 TYR 5 22.507 -16.689 -2.222 40 HE2 TYR 5 HE2 TYR 5 22.167 -20.968 -2.380 41 HH TYR 5 HH TYR 5 20.450 -19.538 -2.680 42 H TYR 6 H TYR 6 29.194 -18.251 -0.060 43 HA TYR 6 HA TYR 6 28.678 -16.880 2.294 44 1HB TYR 6 1HB TYR 6 30.821 -18.074 1.594 45 2HB TYR 6 2HB TYR 6 31.275 -16.576 0.782 46 HD1 TYR 6 HD1 TYR 6 31.517 -14.460 2.101 47 HD2 TYR 6 HD2 TYR 6 30.937 -18.277 3.984 48 HE1 TYR 6 HE1 TYR 6 32.303 -13.516 4.256 49 HE2 TYR 6 HE2 TYR 6 31.724 -17.332 6.139 50 HH TYR 6 HH TYR 6 33.296 -15.313 6.793 51 H LEU 7 H LEU 7 29.662 -15.505 -0.804 52 HA LEU 7 HA LEU 7 30.123 -12.843 -0.061 53 1HB LEU 7 1HB LEU 7 29.154 -14.184 -2.544 54 2HB LEU 7 2HB LEU 7 28.973 -12.433 -2.443 55 HG LEU 7 HG LEU 7 31.379 -12.217 -1.920 56 1HD1 LEU 7 1HD1 LEU 7 31.526 -14.514 -0.859 57 2HD1 LEU 7 2HD1 LEU 7 31.536 -15.189 -2.489 58 3HD1 LEU 7 3HD1 LEU 7 32.845 -14.129 -1.965 59 1HD2 LEU 7 1HD2 LEU 7 30.231 -12.731 -4.363 60 2HD2 LEU 7 2HD2 LEU 7 31.906 -12.228 -4.136 61 3HD2 LEU 7 3HD2 LEU 7 31.515 -13.939 -4.313 62 H SER 8 H SER 8 27.004 -14.193 -1.189 63 HA SER 8 HA SER 8 25.628 -11.789 -0.171 64 1HB SER 8 1HB SER 8 25.159 -13.253 -2.372 65 2HB SER 8 2HB SER 8 24.091 -14.097 -1.253 66 HG SER 8 HG SER 8 23.519 -11.732 -0.704 67 H ASP 9 H ASP 9 26.786 -14.312 1.405 68 HA ASP 9 HA ASP 9 24.348 -15.105 2.851 69 1HB ASP 9 1HB ASP 9 27.241 -15.947 3.025 70 2HB ASP 9 2HB ASP 9 26.026 -16.505 4.175 71 H ILE 10 H ILE 10 27.553 -14.211 4.149 72 HA ILE 10 HA ILE 10 26.338 -13.122 6.551 73 HB ILE 10 HB ILE 10 29.201 -12.761 5.659 74 1HG1 ILE 10 1HG1 ILE 10 28.615 -15.126 5.400 75 2HG1 ILE 10 2HG1 ILE 10 29.629 -14.923 6.828 76 1HG2 ILE 10 1HG2 ILE 10 28.350 -11.543 7.694 77 2HG2 ILE 10 2HG2 ILE 10 27.973 -13.110 8.410 78 3HG2 ILE 10 3HG2 ILE 10 29.645 -12.689 8.042 79 1HD1 ILE 10 1HD1 ILE 10 27.053 -14.544 7.805 80 2HD1 ILE 10 2HD1 ILE 10 26.864 -15.852 6.637 81 3HD1 ILE 10 3HD1 ILE 10 28.011 -16.016 7.967 82 H THR 11 H THR 11 27.060 -11.779 3.472 83 HA THR 11 HA THR 11 27.695 -9.100 4.244 84 HB THR 11 HB THR 11 26.630 -8.564 1.935 85 HG1 THR 11 HG1 THR 11 25.985 -10.236 0.774 86 1HG2 THR 11 1HG2 THR 11 28.979 -10.391 2.422 87 2HG2 THR 11 2HG2 THR 11 28.574 -9.836 0.798 88 3HG2 THR 11 3HG2 THR 11 28.986 -8.667 2.052 89 H ASP 12 H ASP 12 24.826 -10.862 4.678 90 HA ASP 12 HA ASP 12 22.978 -8.622 4.409 91 1HB ASP 12 1HB ASP 12 22.660 -11.341 4.479 92 2HB ASP 12 2HB ASP 12 22.167 -10.891 6.112 93 H ALA 13 H ALA 13 24.673 -10.229 7.085 94 HA ALA 13 HA ALA 13 23.365 -8.607 9.119 95 1HB ALA 13 1HB ALA 13 25.520 -10.658 9.041 96 2HB ALA 13 2HB ALA 13 25.550 -9.529 10.395 97 3HB ALA 13 3HB ALA 13 24.126 -10.533 10.115 98 H PHE 14 H PHE 14 26.132 -8.226 7.047 99 HA PHE 14 HA PHE 14 27.245 -6.066 8.715 100 1HB PHE 14 1HB PHE 14 28.158 -7.657 6.392 101 2HB PHE 14 2HB PHE 14 28.687 -5.974 6.405 102 HD1 PHE 14 HD1 PHE 14 27.933 -7.633 9.574 103 HD2 PHE 14 HD2 PHE 14 31.045 -6.691 6.766 104 HE1 PHE 14 HE1 PHE 14 29.642 -8.183 11.284 105 HE2 PHE 14 HE2 PHE 14 32.754 -7.240 8.477 106 HZ PHE 14 HZ PHE 14 32.053 -7.985 10.736 107 H SER 15 H SER 15 24.563 -5.801 7.545 108 HA SER 15 HA SER 15 24.456 -4.200 5.229 109 1HB SER 15 1HB SER 15 22.729 -4.697 7.553 110 2HB SER 15 2HB SER 15 22.510 -3.098 6.848 111 HG SER 15 HG SER 15 21.275 -4.259 5.552 112 HA PRO 16 HA PRO 16 25.277 -0.391 8.106 113 1HB PRO 16 1HB PRO 16 26.004 -0.893 10.685 114 2HB PRO 16 2HB PRO 16 24.318 -0.726 10.168 115 1HG PRO 16 1HG PRO 16 25.795 -3.138 10.971 116 2HG PRO 16 2HG PRO 16 24.051 -2.837 10.947 117 1HD PRO 16 1HD PRO 16 25.574 -4.307 9.035 118 2HD PRO 16 2HD PRO 16 23.853 -3.902 8.958 119 H GLN 17 H GLN 17 27.272 -3.250 8.470 120 HA GLN 17 HA GLN 17 29.721 -1.792 9.059 121 1HB GLN 17 1HB GLN 17 29.045 -4.375 9.361 122 2HB GLN 17 2HB GLN 17 29.829 -4.485 7.785 123 1HG GLN 17 1HG GLN 17 31.372 -2.814 9.582 124 2HG GLN 17 2HG GLN 17 31.101 -4.407 10.289 125 1HE2 GLN 17 2HE2 GLN 17 33.247 -5.224 9.916 126 2HE2 GLN 17 1HE2 GLN 17 33.862 -5.494 8.358 127 H VAL 18 H VAL 18 27.919 -2.568 6.213 128 HA VAL 18 HA VAL 18 30.214 -2.122 4.412 129 HB VAL 18 HB VAL 18 27.282 -2.607 3.858 130 1HG1 VAL 18 1HG1 VAL 18 29.243 -1.486 2.182 131 2HG1 VAL 18 2HG1 VAL 18 29.106 -3.172 1.682 132 3HG1 VAL 18 3HG1 VAL 18 27.678 -2.136 1.691 133 1HG2 VAL 18 1HG2 VAL 18 29.584 -4.332 4.397 134 2HG2 VAL 18 2HG2 VAL 18 27.868 -4.735 4.366 135 3HG2 VAL 18 3HG2 VAL 18 28.795 -4.714 2.866 136 H LEU 19 H LEU 19 27.104 -0.524 5.198 137 HA LEU 19 HA LEU 19 27.386 1.700 3.469 138 1HB LEU 19 1HB LEU 19 25.570 0.959 5.404 139 2HB LEU 19 2HB LEU 19 26.344 2.356 6.153 140 HG LEU 19 HG LEU 19 25.862 2.943 3.386 141 1HD1 LEU 19 1HD1 LEU 19 23.644 1.595 4.882 142 2HD1 LEU 19 2HD1 LEU 19 23.245 2.955 3.833 143 3HD1 LEU 19 3HD1 LEU 19 24.035 1.528 3.164 144 1HD2 LEU 19 1HD2 LEU 19 24.941 3.974 6.066 145 2HD2 LEU 19 2HD2 LEU 19 26.037 4.733 4.911 146 3HD2 LEU 19 3HD2 LEU 19 24.308 4.665 4.572 147 H ALA 20 H ALA 20 28.520 1.313 6.836 148 HA ALA 20 HA ALA 20 29.820 3.819 7.089 149 1HB ALA 20 1HB ALA 20 29.656 1.421 8.578 150 2HB ALA 20 2HB ALA 20 31.376 1.711 8.317 151 3HB ALA 20 3HB ALA 20 30.382 2.944 9.094 152 H ALA 21 H ALA 21 31.168 0.683 6.089 153 HA ALA 21 HA ALA 21 33.773 1.294 5.465 154 1HB ALA 21 1HB ALA 21 31.864 -0.668 4.649 155 2HB ALA 21 2HB ALA 21 32.708 -0.110 3.204 156 3HB ALA 21 3HB ALA 21 33.623 -0.769 4.560 157 H VAL 22 H VAL 22 31.021 1.776 3.302 158 HA VAL 22 HA VAL 22 32.262 2.962 1.114 159 HB VAL 22 HB VAL 22 29.569 3.407 2.400 160 1HG1 VAL 22 1HG1 VAL 22 30.247 5.561 1.356 161 2HG1 VAL 22 2HG1 VAL 22 30.569 4.712 -0.155 162 3HG1 VAL 22 3HG1 VAL 22 28.925 4.795 0.476 163 1HG2 VAL 22 1HG2 VAL 22 30.247 1.322 1.061 164 2HG2 VAL 22 2HG2 VAL 22 28.777 2.146 0.540 165 3HG2 VAL 22 3HG2 VAL 22 30.280 2.374 -0.354 166 H ILE 23 H ILE 23 31.095 4.679 4.039 167 HA ILE 23 HA ILE 23 32.076 7.243 3.177 168 HB ILE 23 HB ILE 23 31.299 6.121 5.874 169 1HG1 ILE 23 1HG1 ILE 23 29.831 8.422 4.992 170 2HG1 ILE 23 2HG1 ILE 23 29.909 7.267 3.661 171 1HG2 ILE 23 1HG2 ILE 23 32.379 8.856 5.165 172 2HG2 ILE 23 2HG2 ILE 23 31.380 8.579 6.591 173 3HG2 ILE 23 3HG2 ILE 23 32.936 7.764 6.433 174 1HD1 ILE 23 1HD1 ILE 23 29.211 5.479 5.334 175 2HD1 ILE 23 2HD1 ILE 23 28.868 6.791 6.462 176 3HD1 ILE 23 3HD1 ILE 23 27.975 6.676 4.945 177 H PHE 24 H PHE 24 33.582 4.573 4.919 178 HA PHE 24 HA PHE 24 35.805 5.871 6.049 179 1HB PHE 24 1HB PHE 24 35.073 3.278 5.827 180 2HB PHE 24 2HB PHE 24 36.340 3.321 4.602 181 HD1 PHE 24 HD1 PHE 24 37.795 5.703 6.151 182 HD2 PHE 24 HD2 PHE 24 36.453 1.768 7.234 183 HE1 PHE 24 HE1 PHE 24 39.521 5.602 7.928 184 HE2 PHE 24 HE2 PHE 24 38.180 1.669 9.011 185 HZ PHE 24 HZ PHE 24 39.714 3.586 9.358 186 H ILE 25 H ILE 25 35.264 4.860 2.687 187 HA ILE 25 HA ILE 25 37.908 5.680 1.803 188 HB ILE 25 HB ILE 25 35.421 5.429 0.088 189 1HG1 ILE 25 1HG1 ILE 25 35.627 3.413 1.475 190 2HG1 ILE 25 2HG1 ILE 25 36.084 3.047 -0.189 191 1HG2 ILE 25 1HG2 ILE 25 38.330 5.690 -0.349 192 2HG2 ILE 25 2HG2 ILE 25 37.559 4.418 -1.296 193 3HG2 ILE 25 3HG2 ILE 25 36.992 6.082 -1.428 194 1HD1 ILE 25 1HD1 ILE 25 38.484 3.846 0.870 195 2HD1 ILE 25 2HD1 ILE 25 37.735 3.051 2.255 196 3HD1 ILE 25 3HD1 ILE 25 37.960 2.166 0.746 197 H TYR 26 H TYR 26 34.654 7.184 1.696 198 HA TYR 26 HA TYR 26 35.432 9.573 0.348 199 1HB TYR 26 1HB TYR 26 33.081 9.118 0.698 200 2HB TYR 26 2HB TYR 26 33.300 9.069 2.447 201 HD1 TYR 26 HD1 TYR 26 34.001 11.178 3.664 202 HD2 TYR 26 HD2 TYR 26 32.739 11.180 -0.442 203 HE1 TYR 26 HE1 TYR 26 33.610 13.624 3.785 204 HE2 TYR 26 HE2 TYR 26 32.347 13.626 -0.321 205 HH TYR 26 HH TYR 26 31.852 15.322 1.479 206 H PHE 27 H PHE 27 36.077 8.394 3.498 207 HA PHE 27 HA PHE 27 36.832 11.018 4.601 208 1HB PHE 27 1HB PHE 27 36.109 8.422 5.627 209 2HB PHE 27 2HB PHE 27 37.683 8.890 6.271 210 HD1 PHE 27 HD1 PHE 27 37.795 11.531 6.915 211 HD2 PHE 27 HD2 PHE 27 34.251 9.105 6.851 212 HE1 PHE 27 HE1 PHE 27 36.688 13.108 8.475 213 HE2 PHE 27 HE2 PHE 27 33.143 10.682 8.411 214 HZ PHE 27 HZ PHE 27 34.361 12.684 9.223 215 H ALA 28 H ALA 28 38.240 8.109 3.298 216 HA ALA 28 HA ALA 28 40.966 8.699 4.106 217 1HB ALA 28 1HB ALA 28 39.671 6.708 2.251 218 2HB ALA 28 2HB ALA 28 41.426 6.867 2.322 219 3HB ALA 28 3HB ALA 28 40.523 6.410 3.766 220 H ALA 29 H ALA 29 39.738 8.293 0.785 221 HA ALA 29 HA ALA 29 41.850 9.984 -0.282 222 1HB ALA 29 1HB ALA 29 39.378 8.828 -1.594 223 2HB ALA 29 2HB ALA 29 40.733 9.570 -2.446 224 3HB ALA 29 3HB ALA 29 40.971 8.072 -1.544 225 H LEU 30 H LEU 30 38.306 10.297 -0.160 226 HA LEU 30 HA LEU 30 38.372 13.014 -1.191 227 1HB LEU 30 1HB LEU 30 36.304 11.090 -0.303 228 2HB LEU 30 2HB LEU 30 35.886 12.794 -0.135 229 HG LEU 30 HG LEU 30 37.171 12.090 -2.699 230 1HD1 LEU 30 1HD1 LEU 30 34.772 10.675 -1.699 231 2HD1 LEU 30 2HD1 LEU 30 34.604 11.389 -3.303 232 3HD1 LEU 30 3HD1 LEU 30 35.889 10.224 -2.987 233 1HD2 LEU 30 1HD2 LEU 30 34.733 13.661 -1.813 234 2HD2 LEU 30 2HD2 LEU 30 36.287 14.311 -2.335 235 3HD2 LEU 30 3HD2 LEU 30 35.231 13.510 -3.498 236 H SER 31 H SER 31 39.693 12.264 1.562 237 HA SER 31 HA SER 31 38.185 13.720 3.527 238 1HB SER 31 1HB SER 31 40.531 12.182 3.529 239 2HB SER 31 2HB SER 31 41.035 13.790 4.040 240 HG SER 31 HG SER 31 38.857 13.447 5.326 241 HA PRO 32 HA PRO 32 40.958 17.447 2.280 242 1HB PRO 32 1HB PRO 32 43.072 16.972 0.624 243 2HB PRO 32 2HB PRO 32 43.138 16.701 2.373 244 1HG PRO 32 1HG PRO 32 43.177 14.744 0.221 245 2HG PRO 32 2HG PRO 32 43.501 14.512 1.946 246 1HD PRO 32 1HD PRO 32 41.042 13.973 0.450 247 2HD PRO 32 2HD PRO 32 41.484 13.459 2.087 248 H ALA 33 H ALA 33 39.829 15.285 -0.125 249 HA ALA 33 HA ALA 33 40.178 16.948 -2.460 250 1HB ALA 33 1HB ALA 33 38.192 14.738 -1.866 251 2HB ALA 33 2HB ALA 33 38.452 15.451 -3.457 252 3HB ALA 33 3HB ALA 33 39.751 14.554 -2.670 253 H ILE 34 H ILE 34 37.931 16.948 0.162 254 HA ILE 34 HA ILE 34 35.556 17.944 -0.686 255 HB ILE 34 HB ILE 34 35.839 19.717 1.254 256 1HG1 ILE 34 1HG1 ILE 34 37.875 17.962 2.398 257 2HG1 ILE 34 2HG1 ILE 34 38.475 18.829 0.986 258 1HG2 ILE 34 1HG2 ILE 34 35.882 16.703 1.535 259 2HG2 ILE 34 2HG2 ILE 34 35.594 17.785 2.898 260 3HG2 ILE 34 3HG2 ILE 34 34.475 17.765 1.534 261 1HD1 ILE 34 1HD1 ILE 34 36.876 20.526 2.757 262 2HD1 ILE 34 2HD1 ILE 34 38.305 19.865 3.551 263 3HD1 ILE 34 3HD1 ILE 34 38.476 20.812 2.073 264 H THR 35 H THR 35 38.473 20.022 -0.433 265 HA THR 35 HA THR 35 37.078 22.207 -1.790 266 HB THR 35 HB THR 35 39.395 23.270 -1.710 267 HG1 THR 35 HG1 THR 35 40.036 21.235 0.097 268 1HG2 THR 35 1HG2 THR 35 37.435 23.059 0.185 269 2HG2 THR 35 2HG2 THR 35 38.839 22.461 1.070 270 3HG2 THR 35 3HG2 THR 35 38.871 24.070 0.350 271 H PHE 36 H PHE 36 39.748 19.987 -2.560 272 HA PHE 36 HA PHE 36 39.812 20.945 -5.338 273 1HB PHE 36 1HB PHE 36 41.275 18.537 -4.261 274 2HB PHE 36 2HB PHE 36 41.732 19.587 -5.603 275 HD1 PHE 36 HD1 PHE 36 41.060 22.240 -4.235 276 HD2 PHE 36 HD2 PHE 36 43.250 18.789 -2.916 277 HE1 PHE 36 HE1 PHE 36 42.364 23.664 -2.678 278 HE2 PHE 36 HE2 PHE 36 44.556 20.211 -1.359 279 HZ PHE 36 HZ PHE 36 44.112 22.649 -1.240 280 H GLY 37 H GLY 37 37.374 20.193 -5.355 281 1HA GLY 37 1HA GLY 37 37.096 17.283 -5.805 282 2HA GLY 37 2HA GLY 37 35.777 18.455 -5.785 283 H GLY 38 H GLY 38 36.024 16.546 -7.852 284 1HA GLY 38 1HA GLY 38 35.513 17.863 -10.177 285 2HA GLY 38 2HA GLY 38 37.277 17.876 -10.154 286 H LEU 39 H LEU 39 37.938 15.426 -9.173 287 HA LEU 39 HA LEU 39 37.061 13.655 -11.369 288 1HB LEU 39 1HB LEU 39 38.893 12.208 -10.657 289 2HB LEU 39 2HB LEU 39 39.480 13.867 -10.774 290 HG LEU 39 HG LEU 39 38.368 13.074 -8.139 291 1HD1 LEU 39 1HD1 LEU 39 39.803 11.114 -9.115 292 2HD1 LEU 39 2HD1 LEU 39 41.164 12.195 -8.812 293 3HD1 LEU 39 3HD1 LEU 39 40.130 11.683 -7.478 294 1HD2 LEU 39 1HD2 LEU 39 39.973 15.117 -9.250 295 2HD2 LEU 39 2HD2 LEU 39 39.545 14.904 -7.553 296 3HD2 LEU 39 3HD2 LEU 39 41.033 14.197 -8.182 297 H LEU 40 H LEU 40 36.151 11.552 -10.964 298 HA LEU 40 HA LEU 40 34.673 11.425 -8.385 299 1HB LEU 40 1HB LEU 40 33.541 11.219 -10.707 300 2HB LEU 40 2HB LEU 40 34.241 9.600 -10.747 301 HG LEU 40 HG LEU 40 33.145 9.741 -8.207 302 1HD1 LEU 40 1HD1 LEU 40 31.748 11.588 -10.020 303 2HD1 LEU 40 2HD1 LEU 40 30.689 10.393 -9.272 304 3HD1 LEU 40 3HD1 LEU 40 31.665 11.460 -8.263 305 1HD2 LEU 40 1HD2 LEU 40 32.388 8.528 -10.831 306 2HD2 LEU 40 2HD2 LEU 40 32.799 7.740 -9.307 307 3HD2 LEU 40 3HD2 LEU 40 31.202 8.455 -9.527 308 H GLY 41 H GLY 41 37.271 9.944 -10.101 309 1HA GLY 41 1HA GLY 41 38.460 8.530 -8.124 310 2HA GLY 41 2HA GLY 41 37.137 7.443 -8.550 311 H GLU 42 H GLU 42 37.222 6.328 -10.527 312 HA GLU 42 HA GLU 42 39.886 6.244 -11.783 313 1HB GLU 42 1HB GLU 42 39.086 4.229 -12.886 314 2HB GLU 42 2HB GLU 42 38.646 4.146 -11.180 315 1HG GLU 42 1HG GLU 42 36.477 3.962 -11.740 316 2HG GLU 42 2HG GLU 42 36.555 5.516 -12.569 317 H LYS 43 H LYS 43 37.818 8.476 -12.164 318 HA LYS 43 HA LYS 43 37.101 9.834 -13.938 319 1HB LYS 43 1HB LYS 43 39.055 8.224 -15.601 320 2HB LYS 43 2HB LYS 43 38.493 9.869 -15.901 321 1HG LYS 43 1HG LYS 43 39.478 10.352 -13.518 322 2HG LYS 43 2HG LYS 43 40.404 8.879 -13.805 323 1HD LYS 43 1HD LYS 43 41.787 9.931 -15.242 324 2HD LYS 43 2HD LYS 43 40.432 10.620 -16.137 325 1HE LYS 43 1HE LYS 43 40.373 12.546 -14.835 326 2HE LYS 43 2HE LYS 43 41.116 11.753 -13.447 327 1HZ LYS 43 1HZ LYS 43 42.878 11.680 -15.649 328 2HZ LYS 43 2HZ LYS 43 42.370 13.281 -15.391 329 3HZ LYS 43 3HZ LYS 43 43.102 12.405 -14.132 Start of MODEL 20 1 1H ACE 1 HA1 ACE 1 27.274 -9.200 19.103 2 2H ACE 1 HA2 ACE 1 26.829 -7.637 18.417 3 3H ACE 1 HA3 ACE 1 28.426 -8.315 18.103 4 H ARG 2 H ARG 2 25.675 -7.708 16.541 5 HA ARG 2 HA ARG 2 26.157 -9.853 14.582 6 1HB ARG 2 1HB ARG 2 24.100 -10.138 16.508 7 2HB ARG 2 2HB ARG 2 23.305 -9.706 14.993 8 1HG ARG 2 1HG ARG 2 24.449 -11.521 13.828 9 2HG ARG 2 2HG ARG 2 25.356 -11.919 15.287 10 1HD ARG 2 1HD ARG 2 23.674 -13.394 15.680 11 2HD ARG 2 2HD ARG 2 22.774 -11.974 16.213 12 HE ARG 2 HE ARG 2 22.487 -12.236 13.383 13 1HH1 ARG 2 1HH1 ARG 2 21.005 -12.751 16.358 14 2HH1 ARG 2 2HH1 ARG 2 19.791 -13.833 15.761 15 1HH2 ARG 2 1HH2 ARG 2 21.183 -14.068 12.594 16 2HH2 ARG 2 2HH2 ARG 2 19.897 -14.587 13.632 17 H TYR 3 H TYR 3 26.817 -7.597 13.703 18 HA TYR 3 HA TYR 3 26.382 -5.863 12.181 19 1HB TYR 3 1HB TYR 3 23.884 -7.524 11.728 20 2HB TYR 3 2HB TYR 3 24.403 -6.188 10.700 21 HD1 TYR 3 HD1 TYR 3 25.384 -9.542 11.981 22 HD2 TYR 3 HD2 TYR 3 26.124 -6.464 9.079 23 HE1 TYR 3 HE1 TYR 3 26.896 -11.072 10.747 24 HE2 TYR 3 HE2 TYR 3 27.637 -7.994 7.842 25 HH TYR 3 HH TYR 3 27.664 -11.117 8.052 26 HA PRO 4 HA PRO 4 23.658 -3.650 15.152 27 1HB PRO 4 1HB PRO 4 25.573 -1.900 15.982 28 2HB PRO 4 2HB PRO 4 25.344 -3.500 16.706 29 1HG PRO 4 1HG PRO 4 27.525 -2.531 15.013 30 2HG PRO 4 2HG PRO 4 27.461 -3.960 16.055 31 1HD PRO 4 1HD PRO 4 27.129 -3.826 13.189 32 2HD PRO 4 2HD PRO 4 27.150 -5.261 14.227 33 H TYR 5 H TYR 5 26.237 -1.552 13.883 34 HA TYR 5 HA TYR 5 24.240 0.357 12.935 35 1HB TYR 5 1HB TYR 5 27.247 0.396 12.569 36 2HB TYR 5 2HB TYR 5 26.147 1.763 12.379 37 HD1 TYR 5 HD1 TYR 5 24.836 2.577 14.393 38 HD2 TYR 5 HD2 TYR 5 28.061 -0.242 14.710 39 HE1 TYR 5 HE1 TYR 5 25.013 3.054 16.820 40 HE2 TYR 5 HE2 TYR 5 28.239 0.235 17.137 41 HH TYR 5 HH TYR 5 26.518 2.865 18.623 42 H TYR 6 H TYR 6 26.478 -1.963 11.466 43 HA TYR 6 HA TYR 6 26.505 -1.234 8.803 44 1HB TYR 6 1HB TYR 6 26.709 -3.719 10.268 45 2HB TYR 6 2HB TYR 6 25.864 -3.976 8.741 46 HD1 TYR 6 HD1 TYR 6 27.002 -2.247 6.821 47 HD2 TYR 6 HD2 TYR 6 28.977 -4.215 10.089 48 HE1 TYR 6 HE1 TYR 6 29.156 -2.114 5.601 49 HE2 TYR 6 HE2 TYR 6 31.132 -4.081 8.868 50 HH TYR 6 HH TYR 6 31.869 -2.157 6.649 51 H LEU 7 H LEU 7 23.793 -2.648 10.571 52 HA LEU 7 HA LEU 7 22.077 -3.166 8.370 53 1HB LEU 7 1HB LEU 7 21.820 -3.639 10.961 54 2HB LEU 7 2HB LEU 7 20.944 -2.108 10.934 55 HG LEU 7 HG LEU 7 20.122 -3.740 8.701 56 1HD1 LEU 7 1HD1 LEU 7 20.153 -5.017 11.436 57 2HD1 LEU 7 2HD1 LEU 7 18.929 -5.446 10.240 58 3HD1 LEU 7 3HD1 LEU 7 20.636 -5.720 9.892 59 1HD2 LEU 7 1HD2 LEU 7 19.022 -2.115 10.868 60 2HD2 LEU 7 2HD2 LEU 7 18.391 -2.383 9.243 61 3HD2 LEU 7 3HD2 LEU 7 18.026 -3.531 10.531 62 H SER 8 H SER 8 22.336 -0.205 10.373 63 HA SER 8 HA SER 8 20.349 1.284 8.976 64 1HB SER 8 1HB SER 8 21.155 2.085 11.103 65 2HB SER 8 2HB SER 8 22.808 2.179 10.502 66 HG SER 8 HG SER 8 22.327 4.108 9.850 67 H ASP 9 H ASP 9 23.395 0.231 7.910 68 HA ASP 9 HA ASP 9 23.863 2.468 6.078 69 1HB ASP 9 1HB ASP 9 25.248 -0.085 6.764 70 2HB ASP 9 2HB ASP 9 25.582 0.638 5.191 71 H ILE 10 H ILE 10 22.546 -0.812 5.923 72 HA ILE 10 HA ILE 10 22.478 -1.029 3.070 73 HB ILE 10 HB ILE 10 20.622 -2.286 5.112 74 1HG1 ILE 10 1HG1 ILE 10 23.037 -2.745 5.497 75 2HG1 ILE 10 2HG1 ILE 10 22.165 -4.193 4.992 76 1HG2 ILE 10 1HG2 ILE 10 21.106 -2.701 2.172 77 2HG2 ILE 10 2HG2 ILE 10 20.630 -4.068 3.180 78 3HG2 ILE 10 3HG2 ILE 10 19.578 -2.659 3.051 79 1HD1 ILE 10 1HD1 ILE 10 23.100 -2.752 2.671 80 2HD1 ILE 10 2HD1 ILE 10 24.446 -3.060 3.768 81 3HD1 ILE 10 3HD1 ILE 10 23.470 -4.403 3.170 82 H THR 11 H THR 11 20.112 0.289 5.383 83 HA THR 11 HA THR 11 17.991 0.678 3.522 84 HB THR 11 HB THR 11 17.841 0.914 6.035 85 HG1 THR 11 HG1 THR 11 16.594 3.050 5.702 86 1HG2 THR 11 1HG2 THR 11 19.912 2.378 6.152 87 2HG2 THR 11 2HG2 THR 11 18.917 3.694 5.528 88 3HG2 THR 11 3HG2 THR 11 18.528 2.955 7.082 89 H ASP 12 H ASP 12 20.606 2.928 4.500 90 HA ASP 12 HA ASP 12 19.757 4.860 2.470 91 1HB ASP 12 1HB ASP 12 21.573 6.223 3.248 92 2HB ASP 12 2HB ASP 12 20.860 5.477 4.680 93 H ALA 13 H ALA 13 21.260 1.949 2.277 94 HA ALA 13 HA ALA 13 23.184 2.763 0.178 95 1HB ALA 13 1HB ALA 13 22.695 0.065 1.476 96 2HB ALA 13 2HB ALA 13 23.956 0.413 0.293 97 3HB ALA 13 3HB ALA 13 24.001 1.178 1.881 98 H PHE 14 H PHE 14 20.375 3.022 -0.323 99 HA PHE 14 HA PHE 14 19.568 0.712 -1.929 100 1HB PHE 14 1HB PHE 14 17.487 1.729 -2.077 101 2HB PHE 14 2HB PHE 14 18.085 2.436 -0.580 102 HD1 PHE 14 HD1 PHE 14 19.160 4.737 -0.643 103 HD2 PHE 14 HD2 PHE 14 17.028 3.076 -3.983 104 HE1 PHE 14 HE1 PHE 14 18.935 7.002 -1.627 105 HE2 PHE 14 HE2 PHE 14 16.802 5.341 -4.966 106 HZ PHE 14 HZ PHE 14 17.755 7.304 -3.788 107 H SER 15 H SER 15 21.982 2.565 -2.562 108 HA SER 15 HA SER 15 21.261 3.089 -5.401 109 1HB SER 15 1HB SER 15 22.337 4.851 -3.486 110 2HB SER 15 2HB SER 15 23.686 4.417 -4.533 111 HG SER 15 HG SER 15 22.030 4.830 -6.279 112 HA PRO 16 HA PRO 16 24.341 -0.308 -5.533 113 1HB PRO 16 1HB PRO 16 23.027 -1.708 -7.469 114 2HB PRO 16 2HB PRO 16 22.653 -1.858 -5.744 115 1HG PRO 16 1HG PRO 16 21.115 -0.548 -7.885 116 2HG PRO 16 2HG PRO 16 20.567 -1.177 -6.323 117 1HD PRO 16 1HD PRO 16 21.063 1.544 -7.000 118 2HD PRO 16 2HD PRO 16 20.656 0.893 -5.405 119 H GLN 17 H GLN 17 22.637 1.106 -8.339 120 HA GLN 17 HA GLN 17 24.901 0.714 -10.119 121 1HB GLN 17 1HB GLN 17 22.560 0.885 -10.942 122 2HB GLN 17 2HB GLN 17 22.510 2.564 -10.405 123 1HG GLN 17 1HG GLN 17 23.425 3.188 -12.362 124 2HG GLN 17 2HG GLN 17 24.872 2.266 -11.951 125 1HE2 GLN 17 2HE2 GLN 17 24.278 -0.329 -12.205 126 2HE2 GLN 17 1HE2 GLN 17 23.608 -0.704 -13.719 127 H VAL 18 H VAL 18 23.859 3.179 -7.896 128 HA VAL 18 HA VAL 18 25.740 5.176 -8.969 129 HB VAL 18 HB VAL 18 23.888 5.165 -6.585 130 1HG1 VAL 18 1HG1 VAL 18 25.930 6.545 -6.193 131 2HG1 VAL 18 2HG1 VAL 18 25.579 7.434 -7.675 132 3HG1 VAL 18 3HG1 VAL 18 24.469 7.527 -6.308 133 1HG2 VAL 18 1HG2 VAL 18 23.807 6.285 -9.375 134 2HG2 VAL 18 2HG2 VAL 18 22.554 5.409 -8.496 135 3HG2 VAL 18 3HG2 VAL 18 22.911 7.087 -8.085 136 H LEU 19 H LEU 19 25.599 2.774 -6.429 137 HA LEU 19 HA LEU 19 27.778 3.834 -4.845 138 1HB LEU 19 1HB LEU 19 26.155 1.403 -4.910 139 2HB LEU 19 2HB LEU 19 27.846 1.052 -4.562 140 HG LEU 19 HG LEU 19 26.457 3.304 -3.132 141 1HD1 LEU 19 1HD1 LEU 19 25.520 0.673 -3.056 142 2HD1 LEU 19 2HD1 LEU 19 26.553 0.805 -1.632 143 3HD1 LEU 19 3HD1 LEU 19 25.208 1.924 -1.853 144 1HD2 LEU 19 1HD2 LEU 19 29.040 2.192 -3.138 145 2HD2 LEU 19 2HD2 LEU 19 28.395 3.348 -1.973 146 3HD2 LEU 19 3HD2 LEU 19 28.296 1.618 -1.646 147 H ALA 20 H ALA 20 27.619 1.203 -7.248 148 HA ALA 20 HA ALA 20 30.392 0.676 -7.429 149 1HB ALA 20 1HB ALA 20 28.202 0.549 -9.522 150 2HB ALA 20 2HB ALA 20 29.828 -0.083 -9.780 151 3HB ALA 20 3HB ALA 20 28.799 -0.779 -8.528 152 H ALA 21 H ALA 21 28.377 2.883 -9.334 153 HA ALA 21 HA ALA 21 30.300 3.989 -11.041 154 1HB ALA 21 1HB ALA 21 27.871 4.522 -11.098 155 2HB ALA 21 2HB ALA 21 28.058 5.460 -9.617 156 3HB ALA 21 3HB ALA 21 28.856 5.984 -11.100 157 H VAL 22 H VAL 22 29.354 5.255 -7.865 158 HA VAL 22 HA VAL 22 31.202 7.351 -7.649 159 HB VAL 22 HB VAL 22 30.078 5.523 -5.509 160 1HG1 VAL 22 1HG1 VAL 22 32.017 7.764 -5.376 161 2HG1 VAL 22 2HG1 VAL 22 30.687 7.837 -4.221 162 3HG1 VAL 22 3HG1 VAL 22 31.754 6.434 -4.249 163 1HG2 VAL 22 1HG2 VAL 22 29.026 7.688 -7.081 164 2HG2 VAL 22 2HG2 VAL 22 28.216 6.751 -5.825 165 3HG2 VAL 22 3HG2 VAL 22 29.121 8.203 -5.397 166 H ILE 23 H ILE 23 31.675 3.913 -6.855 167 HA ILE 23 HA ILE 23 34.390 4.354 -5.884 168 HB ILE 23 HB ILE 23 32.952 1.821 -6.713 169 1HG1 ILE 23 1HG1 ILE 23 33.462 2.253 -3.867 170 2HG1 ILE 23 2HG1 ILE 23 32.457 3.528 -4.557 171 1HG2 ILE 23 1HG2 ILE 23 35.685 2.384 -5.792 172 2HG2 ILE 23 2HG2 ILE 23 34.858 1.168 -4.819 173 3HG2 ILE 23 3HG2 ILE 23 35.035 0.935 -6.558 174 1HD1 ILE 23 1HD1 ILE 23 31.178 1.513 -5.675 175 2HD1 ILE 23 2HD1 ILE 23 31.909 0.583 -4.367 176 3HD1 ILE 23 3HD1 ILE 23 30.846 1.940 -3.996 177 H PHE 24 H PHE 24 32.947 3.843 -8.972 178 HA PHE 24 HA PHE 24 35.166 2.652 -10.333 179 1HB PHE 24 1HB PHE 24 32.606 3.709 -11.028 180 2HB PHE 24 2HB PHE 24 33.796 4.505 -12.057 181 HD1 PHE 24 HD1 PHE 24 32.392 1.239 -11.027 182 HD2 PHE 24 HD2 PHE 24 35.045 3.277 -13.720 183 HE1 PHE 24 HE1 PHE 24 32.559 -0.810 -12.413 184 HE2 PHE 24 HE2 PHE 24 35.211 1.229 -15.107 185 HZ PHE 24 HZ PHE 24 33.969 -0.815 -14.453 186 H ILE 25 H ILE 25 34.238 6.072 -9.863 187 HA ILE 25 HA ILE 25 36.627 7.080 -11.178 188 HB ILE 25 HB ILE 25 34.693 8.425 -9.254 189 1HG1 ILE 25 1HG1 ILE 25 34.331 9.529 -11.741 190 2HG1 ILE 25 2HG1 ILE 25 34.686 7.850 -12.152 191 1HG2 ILE 25 1HG2 ILE 25 36.861 9.564 -11.044 192 2HG2 ILE 25 2HG2 ILE 25 35.662 10.529 -10.184 193 3HG2 ILE 25 3HG2 ILE 25 36.845 9.583 -9.281 194 1HD1 ILE 25 1HD1 ILE 25 32.716 8.486 -9.968 195 2HD1 ILE 25 2HD1 ILE 25 32.211 8.523 -11.657 196 3HD1 ILE 25 3HD1 ILE 25 32.841 7.032 -10.958 197 H TYR 26 H TYR 26 35.726 6.280 -7.827 198 HA TYR 26 HA TYR 26 38.050 7.483 -6.618 199 1HB TYR 26 1HB TYR 26 35.950 5.551 -5.811 200 2HB TYR 26 2HB TYR 26 37.490 5.379 -4.969 201 HD1 TYR 26 HD1 TYR 26 35.426 8.257 -6.228 202 HD2 TYR 26 HD2 TYR 26 37.570 6.512 -2.940 203 HE1 TYR 26 HE1 TYR 26 34.885 10.230 -4.827 204 HE2 TYR 26 HE2 TYR 26 37.029 8.486 -1.540 205 HH TYR 26 HH TYR 26 35.438 11.322 -2.899 206 H PHE 27 H PHE 27 37.435 4.548 -8.338 207 HA PHE 27 HA PHE 27 39.877 3.164 -7.582 208 1HB PHE 27 1HB PHE 27 37.789 2.050 -8.465 209 2HB PHE 27 2HB PHE 27 38.121 2.789 -10.031 210 HD1 PHE 27 HD1 PHE 27 40.454 2.368 -11.069 211 HD2 PHE 27 HD2 PHE 27 38.794 -0.012 -7.901 212 HE1 PHE 27 HE1 PHE 27 42.030 0.536 -11.620 213 HE2 PHE 27 HE2 PHE 27 40.372 -1.845 -8.452 214 HZ PHE 27 HZ PHE 27 41.990 -1.571 -10.313 215 H ALA 28 H ALA 28 38.744 5.084 -10.311 216 HA ALA 28 HA ALA 28 40.986 4.938 -12.010 217 1HB ALA 28 1HB ALA 28 38.583 6.302 -11.982 218 2HB ALA 28 2HB ALA 28 39.758 7.607 -11.827 219 3HB ALA 28 3HB ALA 28 39.841 6.504 -13.201 220 H ALA 29 H ALA 29 40.272 7.486 -9.609 221 HA ALA 29 HA ALA 29 42.881 8.706 -9.835 222 1HB ALA 29 1HB ALA 29 40.452 9.414 -8.716 223 2HB ALA 29 2HB ALA 29 41.485 9.170 -7.308 224 3HB ALA 29 3HB ALA 29 41.956 10.321 -8.558 225 H LEU 30 H LEU 30 41.416 6.864 -7.130 226 HA LEU 30 HA LEU 30 44.023 6.599 -5.844 227 1HB LEU 30 1HB LEU 30 42.856 5.939 -3.986 228 2HB LEU 30 2HB LEU 30 41.525 6.692 -4.849 229 HG LEU 30 HG LEU 30 41.431 4.170 -5.890 230 1HD1 LEU 30 1HD1 LEU 30 43.269 3.817 -3.926 231 2HD1 LEU 30 2HD1 LEU 30 41.790 3.539 -3.008 232 3HD1 LEU 30 3HD1 LEU 30 42.145 2.553 -4.427 233 1HD2 LEU 30 1HD2 LEU 30 39.759 5.767 -4.529 234 2HD2 LEU 30 2HD2 LEU 30 39.402 4.059 -4.788 235 3HD2 LEU 30 3HD2 LEU 30 40.089 4.594 -3.254 236 H SER 31 H SER 31 43.482 5.322 -8.548 237 HA SER 31 HA SER 31 43.240 2.620 -8.656 238 1HB SER 31 1HB SER 31 43.921 3.200 -10.725 239 2HB SER 31 2HB SER 31 44.785 4.607 -10.115 240 HG SER 31 HG SER 31 46.549 3.346 -9.726 241 HA PRO 32 HA PRO 32 47.632 1.921 -6.780 242 1HB PRO 32 1HB PRO 32 49.124 4.131 -6.202 243 2HB PRO 32 2HB PRO 32 49.074 3.382 -7.806 244 1HG PRO 32 1HG PRO 32 47.980 5.944 -6.938 245 2HG PRO 32 2HG PRO 32 48.232 5.332 -8.580 246 1HD PRO 32 1HD PRO 32 45.768 5.415 -7.039 247 2HD PRO 32 2HD PRO 32 45.992 4.973 -8.741 248 H ALA 33 H ALA 33 45.730 4.518 -5.388 249 HA ALA 33 HA ALA 33 46.869 4.530 -2.770 250 1HB ALA 33 1HB ALA 33 44.686 5.745 -4.085 251 2HB ALA 33 2HB ALA 33 44.026 4.940 -2.661 252 3HB ALA 33 3HB ALA 33 45.320 6.125 -2.484 253 H ILE 34 H ILE 34 44.821 2.237 -4.364 254 HA ILE 34 HA ILE 34 43.504 1.028 -2.183 255 HB ILE 34 HB ILE 34 43.319 0.445 -4.685 256 1HG1 ILE 34 1HG1 ILE 34 43.571 -2.076 -3.101 257 2HG1 ILE 34 2HG1 ILE 34 42.467 -0.840 -2.496 258 1HG2 ILE 34 1HG2 ILE 34 45.980 -0.245 -4.358 259 2HG2 ILE 34 2HG2 ILE 34 45.163 -1.808 -4.316 260 3HG2 ILE 34 3HG2 ILE 34 44.957 -0.742 -5.706 261 1HD1 ILE 34 1HD1 ILE 34 42.370 -1.603 -5.398 262 2HD1 ILE 34 2HD1 ILE 34 41.593 -2.643 -4.204 263 3HD1 ILE 34 3HD1 ILE 34 41.088 -0.962 -4.371 264 H THR 35 H THR 35 46.885 0.960 -3.051 265 HA THR 35 HA THR 35 47.579 -1.360 -1.456 266 HB THR 35 HB THR 35 49.795 0.430 -1.623 267 HG1 THR 35 HG1 THR 35 49.359 1.502 -3.351 268 1HG2 THR 35 1HG2 THR 35 49.527 -2.159 -1.843 269 2HG2 THR 35 2HG2 THR 35 49.270 -1.813 -3.553 270 3HG2 THR 35 3HG2 THR 35 50.783 -1.348 -2.777 271 H PHE 36 H PHE 36 47.388 2.109 -0.863 272 HA PHE 36 HA PHE 36 48.709 2.505 1.505 273 1HB PHE 36 1HB PHE 36 47.431 4.309 0.583 274 2HB PHE 36 2HB PHE 36 45.924 3.410 0.743 275 HD1 PHE 36 HD1 PHE 36 48.786 4.625 2.845 276 HD2 PHE 36 HD2 PHE 36 44.573 3.817 2.607 277 HE1 PHE 36 HE1 PHE 36 48.478 5.554 5.124 278 HE2 PHE 36 HE2 PHE 36 44.267 4.746 4.887 279 HZ PHE 36 HZ PHE 36 46.220 5.614 6.145 280 H GLY 37 H GLY 37 45.421 1.089 1.290 281 1HA GLY 37 1HA GLY 37 45.932 -0.106 3.987 282 2HA GLY 37 2HA GLY 37 44.337 0.455 3.487 283 H GLY 38 H GLY 38 46.712 -2.092 3.140 284 1HA GLY 38 1HA GLY 38 44.586 -3.874 2.139 285 2HA GLY 38 2HA GLY 38 45.977 -3.668 1.074 286 H LEU 39 H LEU 39 45.851 -3.888 4.638 287 HA LEU 39 HA LEU 39 48.076 -5.784 4.607 288 1HB LEU 39 1HB LEU 39 46.962 -4.001 6.492 289 2HB LEU 39 2HB LEU 39 46.732 -5.615 7.166 290 HG LEU 39 HG LEU 39 49.344 -5.527 6.028 291 1HD1 LEU 39 1HD1 LEU 39 48.931 -3.003 6.329 292 2HD1 LEU 39 2HD1 LEU 39 48.955 -3.326 8.062 293 3HD1 LEU 39 3HD1 LEU 39 50.381 -3.668 7.081 294 1HD2 LEU 39 1HD2 LEU 39 48.199 -6.693 8.133 295 2HD2 LEU 39 2HD2 LEU 39 49.935 -6.385 8.100 296 3HD2 LEU 39 3HD2 LEU 39 48.862 -5.293 8.975 297 H LEU 40 H LEU 40 47.628 -7.724 6.351 298 HA LEU 40 HA LEU 40 46.070 -9.648 5.018 299 1HB LEU 40 1HB LEU 40 47.177 -9.398 7.782 300 2HB LEU 40 2HB LEU 40 45.977 -10.658 7.492 301 HG LEU 40 HG LEU 40 48.242 -11.531 7.109 302 1HD1 LEU 40 1HD1 LEU 40 46.077 -11.552 5.248 303 2HD1 LEU 40 2HD1 LEU 40 47.579 -11.513 4.323 304 3HD1 LEU 40 3HD1 LEU 40 47.302 -12.794 5.503 305 1HD2 LEU 40 1HD2 LEU 40 48.934 -9.078 6.306 306 2HD2 LEU 40 2HD2 LEU 40 49.804 -10.506 5.746 307 3HD2 LEU 40 3HD2 LEU 40 48.577 -9.762 4.720 308 H GLY 41 H GLY 41 45.167 -7.746 7.912 309 1HA GLY 41 1HA GLY 41 42.330 -8.526 7.431 310 2HA GLY 41 2HA GLY 41 42.957 -7.860 8.941 311 H GLU 42 H GLU 42 42.027 -5.875 9.222 312 HA GLU 42 HA GLU 42 41.319 -4.215 6.917 313 1HB GLU 42 1HB GLU 42 41.083 -3.867 9.910 314 2HB GLU 42 2HB GLU 42 40.683 -2.566 8.787 315 1HG GLU 42 1HG GLU 42 39.284 -4.522 7.616 316 2HG GLU 42 2HG GLU 42 39.282 -5.160 9.261 317 H LYS 43 H LYS 43 43.856 -4.351 9.351 318 HA LYS 43 HA LYS 43 45.729 -2.878 7.829 319 1HB LYS 43 1HB LYS 43 43.846 -1.121 8.629 320 2HB LYS 43 2HB LYS 43 44.888 -1.086 10.052 321 1HG LYS 43 1HG LYS 43 46.689 -1.011 7.941 322 2HG LYS 43 2HG LYS 43 45.361 0.006 7.380 323 1HD LYS 43 1HD LYS 43 45.916 0.546 10.165 324 2HD LYS 43 2HD LYS 43 47.388 0.715 9.208 325 1HE LYS 43 1HE LYS 43 46.494 2.413 7.881 326 2HE LYS 43 2HE LYS 43 44.830 1.921 8.198 327 1HZ LYS 43 1HZ LYS 43 46.563 2.930 10.364 328 2HZ LYS 43 2HZ LYS 43 45.710 3.998 9.359 329 3HZ LYS 43 3HZ LYS 43 44.867 2.865 10.302 Start of MODEL 21 1 1H ACE 1 HA1 ACE 1 20.412 -10.589 -10.158 2 2H ACE 1 HA2 ACE 1 18.957 -9.612 -9.957 3 3H ACE 1 HA3 ACE 1 19.068 -11.198 -9.193 4 H ARG 2 H ARG 2 21.636 -8.758 -9.285 5 HA ARG 2 HA ARG 2 21.143 -7.716 -6.648 6 1HB ARG 2 1HB ARG 2 22.367 -10.290 -6.736 7 2HB ARG 2 2HB ARG 2 23.602 -9.131 -6.244 8 1HG ARG 2 1HG ARG 2 22.366 -8.422 -4.366 9 2HG ARG 2 2HG ARG 2 20.858 -9.084 -4.999 10 1HD ARG 2 1HD ARG 2 21.433 -11.278 -4.446 11 2HD ARG 2 2HD ARG 2 23.161 -10.928 -4.435 12 HE ARG 2 HE ARG 2 21.773 -9.462 -2.360 13 1HH1 ARG 2 1HH1 ARG 2 24.358 -11.370 -2.699 14 2HH1 ARG 2 2HH1 ARG 2 24.065 -12.410 -1.345 15 1HH2 ARG 2 1HH2 ARG 2 20.820 -11.294 -0.850 16 2HH2 ARG 2 2HH2 ARG 2 22.062 -12.369 -0.300 17 H TYR 3 H TYR 3 21.756 -5.714 -7.446 18 HA TYR 3 HA TYR 3 24.253 -5.406 -8.952 19 1HB TYR 3 1HB TYR 3 21.998 -3.622 -8.118 20 2HB TYR 3 2HB TYR 3 23.540 -2.876 -8.532 21 HD1 TYR 3 HD1 TYR 3 24.657 -4.245 -10.704 22 HD2 TYR 3 HD2 TYR 3 20.485 -3.626 -9.884 23 HE1 TYR 3 HE1 TYR 3 24.139 -4.534 -13.113 24 HE2 TYR 3 HE2 TYR 3 19.969 -3.915 -12.293 25 HH TYR 3 HH TYR 3 20.794 -4.243 -14.321 26 HA PRO 4 HA PRO 4 26.846 -4.197 -5.564 27 1HB PRO 4 1HB PRO 4 28.370 -2.236 -6.690 28 2HB PRO 4 2HB PRO 4 28.536 -3.953 -7.096 29 1HG PRO 4 1HG PRO 4 27.385 -1.757 -8.683 30 2HG PRO 4 2HG PRO 4 28.049 -3.309 -9.216 31 1HD PRO 4 1HD PRO 4 25.306 -2.619 -8.952 32 2HD PRO 4 2HD PRO 4 25.977 -4.211 -9.335 33 H TYR 5 H TYR 5 26.503 -0.998 -7.109 34 HA TYR 5 HA TYR 5 26.360 0.442 -4.686 35 1HB TYR 5 1HB TYR 5 25.660 0.991 -7.519 36 2HB TYR 5 2HB TYR 5 24.918 2.048 -6.317 37 HD1 TYR 5 HD1 TYR 5 26.689 2.646 -4.305 38 HD2 TYR 5 HD2 TYR 5 27.674 1.764 -8.392 39 HE1 TYR 5 HE1 TYR 5 28.828 3.875 -4.056 40 HE2 TYR 5 HE2 TYR 5 29.813 2.993 -8.142 41 HH TYR 5 HH TYR 5 30.596 4.727 -5.144 42 H TYR 6 H TYR 6 23.976 -1.530 -6.191 43 HA TYR 6 HA TYR 6 21.655 -0.250 -4.988 44 1HB TYR 6 1HB TYR 6 22.063 -2.177 -6.947 45 2HB TYR 6 2HB TYR 6 21.378 -3.098 -5.608 46 HD1 TYR 6 HD1 TYR 6 20.765 0.482 -6.462 47 HD2 TYR 6 HD2 TYR 6 19.157 -3.500 -6.340 48 HE1 TYR 6 HE1 TYR 6 18.516 1.373 -7.003 49 HE2 TYR 6 HE2 TYR 6 16.907 -2.607 -6.882 50 HH TYR 6 HH TYR 6 15.806 -0.026 -6.467 51 H LEU 7 H LEU 7 23.709 -3.037 -4.189 52 HA LEU 7 HA LEU 7 22.340 -4.158 -2.048 53 1HB LEU 7 1HB LEU 7 25.270 -3.714 -2.563 54 2HB LEU 7 2HB LEU 7 24.746 -4.435 -1.040 55 HG LEU 7 HG LEU 7 23.956 -5.460 -3.782 56 1HD1 LEU 7 1HD1 LEU 7 26.441 -5.678 -2.560 57 2HD1 LEU 7 2HD1 LEU 7 25.627 -7.170 -2.090 58 3HD1 LEU 7 3HD1 LEU 7 25.806 -6.763 -3.797 59 1HD2 LEU 7 1HD2 LEU 7 23.094 -6.003 -1.040 60 2HD2 LEU 7 2HD2 LEU 7 22.356 -6.498 -2.564 61 3HD2 LEU 7 3HD2 LEU 7 23.660 -7.457 -1.864 62 H SER 8 H SER 8 24.378 -1.238 -1.986 63 HA SER 8 HA SER 8 24.312 -0.741 0.792 64 1HB SER 8 1HB SER 8 24.210 1.309 -1.440 65 2HB SER 8 2HB SER 8 24.707 1.615 0.222 66 HG SER 8 HG SER 8 26.392 1.142 -1.440 67 H ASP 9 H ASP 9 21.959 0.219 -1.712 68 HA ASP 9 HA ASP 9 20.228 1.801 -0.214 69 1HB ASP 9 1HB ASP 9 19.872 -0.086 -2.487 70 2HB ASP 9 2HB ASP 9 18.410 0.407 -1.631 71 H ILE 10 H ILE 10 20.255 -1.772 -0.342 72 HA ILE 10 HA ILE 10 18.069 -2.066 1.517 73 HB ILE 10 HB ILE 10 20.245 -3.951 0.588 74 1HG1 ILE 10 1HG1 ILE 10 18.532 -3.315 -1.067 75 2HG1 ILE 10 2HG1 ILE 10 18.343 -5.005 -0.598 76 1HG2 ILE 10 1HG2 ILE 10 19.493 -4.511 2.908 77 2HG2 ILE 10 2HG2 ILE 10 17.835 -4.597 2.313 78 3HG2 ILE 10 3HG2 ILE 10 19.042 -5.740 1.727 79 1HD1 ILE 10 1HD1 ILE 10 16.782 -3.774 1.274 80 2HD1 ILE 10 2HD1 ILE 10 16.554 -2.703 -0.109 81 3HD1 ILE 10 3HD1 ILE 10 16.169 -4.418 -0.250 82 H THR 11 H THR 11 21.615 -2.390 1.927 83 HA THR 11 HA THR 11 21.300 -2.598 4.833 84 HB THR 11 HB THR 11 23.712 -2.825 4.884 85 HG1 THR 11 HG1 THR 11 24.956 -2.190 3.256 86 1HG2 THR 11 1HG2 THR 11 21.997 -4.474 3.405 87 2HG2 THR 11 2HG2 THR 11 23.433 -4.296 2.397 88 3HG2 THR 11 3HG2 THR 11 23.582 -4.910 4.043 89 H ASP 12 H ASP 12 20.783 -0.068 2.976 90 HA ASP 12 HA ASP 12 22.510 1.882 4.355 91 1HB ASP 12 1HB ASP 12 22.173 2.347 2.029 92 2HB ASP 12 2HB ASP 12 20.429 2.128 2.173 93 H ALA 13 H ALA 13 19.174 0.769 4.336 94 HA ALA 13 HA ALA 13 18.006 2.888 5.838 95 1HB ALA 13 1HB ALA 13 17.346 -0.031 5.493 96 2HB ALA 13 2HB ALA 13 16.415 0.973 6.605 97 3HB ALA 13 3HB ALA 13 16.473 1.378 4.889 98 H PHE 14 H PHE 14 19.523 -0.157 6.931 99 HA PHE 14 HA PHE 14 19.192 0.578 9.742 100 1HB PHE 14 1HB PHE 14 20.789 -1.654 8.452 101 2HB PHE 14 2HB PHE 14 20.465 -1.496 10.178 102 HD1 PHE 14 HD1 PHE 14 18.222 -1.860 11.086 103 HD2 PHE 14 HD2 PHE 14 19.016 -2.261 6.883 104 HE1 PHE 14 HE1 PHE 14 16.044 -3.007 10.783 105 HE2 PHE 14 HE2 PHE 14 16.838 -3.409 6.581 106 HZ PHE 14 HZ PHE 14 15.352 -3.781 8.531 107 H SER 15 H SER 15 21.497 1.246 7.290 108 HA SER 15 HA SER 15 23.299 2.368 9.366 109 1HB SER 15 1HB SER 15 23.950 0.056 8.046 110 2HB SER 15 2HB SER 15 24.687 1.275 7.009 111 HG SER 15 HG SER 15 25.973 0.478 8.847 112 HA PRO 16 HA PRO 16 22.611 5.526 6.096 113 1HB PRO 16 1HB PRO 16 21.447 7.352 7.755 114 2HB PRO 16 2HB PRO 16 20.532 6.073 6.937 115 1HG PRO 16 1HG PRO 16 21.142 6.365 9.775 116 2HG PRO 16 2HG PRO 16 19.982 5.287 8.984 117 1HD PRO 16 1HD PRO 16 22.655 4.673 9.963 118 2HD PRO 16 2HD PRO 16 21.408 3.565 9.367 119 H GLN 17 H GLN 17 23.142 6.640 9.453 120 HA GLN 17 HA GLN 17 25.019 8.664 8.771 121 1HB GLN 17 1HB GLN 17 24.525 7.118 11.324 122 2HB GLN 17 2HB GLN 17 25.725 8.408 11.223 123 1HG GLN 17 1HG GLN 17 24.111 9.956 11.457 124 2HG GLN 17 2HG GLN 17 23.286 9.331 10.030 125 1HE2 GLN 17 2HE2 GLN 17 22.138 10.250 12.691 126 2HE2 GLN 17 1HE2 GLN 17 21.217 8.935 13.241 127 H VAL 18 H VAL 18 25.456 5.277 9.704 128 HA VAL 18 HA VAL 18 28.335 5.312 9.704 129 HB VAL 18 HB VAL 18 26.714 2.911 8.933 130 1HG1 VAL 18 1HG1 VAL 18 29.349 3.522 10.138 131 2HG1 VAL 18 2HG1 VAL 18 28.494 2.150 10.844 132 3HG1 VAL 18 3HG1 VAL 18 28.866 2.165 9.120 133 1HG2 VAL 18 1HG2 VAL 18 26.719 4.387 11.548 134 2HG2 VAL 18 2HG2 VAL 18 25.375 3.601 10.719 135 3HG2 VAL 18 3HG2 VAL 18 26.590 2.628 11.548 136 H LEU 19 H LEU 19 25.924 5.173 7.194 137 HA LEU 19 HA LEU 19 27.472 4.019 5.101 138 1HB LEU 19 1HB LEU 19 24.944 4.927 5.214 139 2HB LEU 19 2HB LEU 19 25.695 6.327 4.446 140 HG LEU 19 HG LEU 19 26.301 3.571 3.416 141 1HD1 LEU 19 1HD1 LEU 19 23.873 5.248 2.707 142 2HD1 LEU 19 2HD1 LEU 19 24.398 3.805 1.839 143 3HD1 LEU 19 3HD1 LEU 19 23.849 3.678 3.510 144 1HD2 LEU 19 1HD2 LEU 19 27.158 6.112 2.766 145 2HD2 LEU 19 2HD2 LEU 19 27.226 4.719 1.686 146 3HD2 LEU 19 3HD2 LEU 19 25.869 5.842 1.593 147 H ALA 20 H ALA 20 27.029 7.480 5.938 148 HA ALA 20 HA ALA 20 28.884 8.561 4.102 149 1HB ALA 20 1HB ALA 20 27.847 9.378 6.781 150 2HB ALA 20 2HB ALA 20 29.280 10.212 6.180 151 3HB ALA 20 3HB ALA 20 27.785 10.243 5.245 152 H ALA 21 H ALA 21 29.459 7.572 7.467 153 HA ALA 21 HA ALA 21 32.185 7.959 7.736 154 1HB ALA 21 1HB ALA 21 30.346 5.764 8.671 155 2HB ALA 21 2HB ALA 21 32.068 5.683 9.041 156 3HB ALA 21 3HB ALA 21 31.105 7.044 9.616 157 H VAL 22 H VAL 22 30.645 5.079 6.379 158 HA VAL 22 HA VAL 22 32.814 3.533 5.662 159 HB VAL 22 HB VAL 22 30.244 4.067 4.160 160 1HG1 VAL 22 1HG1 VAL 22 32.651 2.693 3.250 161 2HG1 VAL 22 2HG1 VAL 22 31.255 1.616 3.294 162 3HG1 VAL 22 3HG1 VAL 22 31.191 3.105 2.351 163 1HG2 VAL 22 1HG2 VAL 22 31.265 2.071 6.145 164 2HG2 VAL 22 2HG2 VAL 22 29.688 2.856 6.057 165 3HG2 VAL 22 3HG2 VAL 22 30.078 1.535 4.955 166 H ILE 23 H ILE 23 31.497 6.259 3.752 167 HA ILE 23 HA ILE 23 33.398 6.062 1.629 168 HB ILE 23 HB ILE 23 31.808 8.399 2.722 169 1HG1 ILE 23 1HG1 ILE 23 31.497 7.222 -0.011 170 2HG1 ILE 23 2HG1 ILE 23 30.896 6.287 1.360 171 1HG2 ILE 23 1HG2 ILE 23 33.917 9.201 1.667 172 2HG2 ILE 23 2HG2 ILE 23 33.500 8.308 0.205 173 3HG2 ILE 23 3HG2 ILE 23 32.491 9.655 0.733 174 1HD1 ILE 23 1HD1 ILE 23 30.206 9.176 1.349 175 2HD1 ILE 23 2HD1 ILE 23 29.420 8.185 0.119 176 3HD1 ILE 23 3HD1 ILE 23 29.230 7.786 1.827 177 H PHE 24 H PHE 24 33.471 7.928 4.670 178 HA PHE 24 HA PHE 24 35.824 9.386 4.323 179 1HB PHE 24 1HB PHE 24 34.248 9.060 6.427 180 2HB PHE 24 2HB PHE 24 35.445 7.849 6.881 181 HD1 PHE 24 HD1 PHE 24 35.568 11.269 5.315 182 HD2 PHE 24 HD2 PHE 24 37.019 8.643 8.390 183 HE1 PHE 24 HE1 PHE 24 37.080 13.057 6.131 184 HE2 PHE 24 HE2 PHE 24 38.532 10.432 9.204 185 HZ PHE 24 HZ PHE 24 38.561 12.639 8.075 186 H ILE 25 H ILE 25 35.532 5.963 5.281 187 HA ILE 25 HA ILE 25 38.391 5.532 5.406 188 HB ILE 25 HB ILE 25 36.353 3.384 4.787 189 1HG1 ILE 25 1HG1 ILE 25 35.342 4.609 6.590 190 2HG1 ILE 25 2HG1 ILE 25 36.134 3.211 7.319 191 1HG2 ILE 25 1HG2 ILE 25 38.902 3.449 6.435 192 2HG2 ILE 25 2HG2 ILE 25 37.888 2.030 6.174 193 3HG2 ILE 25 3HG2 ILE 25 38.743 2.763 4.817 194 1HD1 ILE 25 1HD1 ILE 25 38.124 5.178 7.233 195 2HD1 ILE 25 2HD1 ILE 25 36.668 6.042 7.726 196 3HD1 ILE 25 3HD1 ILE 25 37.230 4.655 8.660 197 H TYR 26 H TYR 26 35.922 5.023 2.863 198 HA TYR 26 HA TYR 26 37.649 3.834 0.931 199 1HB TYR 26 1HB TYR 26 35.013 4.450 0.960 200 2HB TYR 26 2HB TYR 26 35.611 5.783 -0.028 201 HD1 TYR 26 HD1 TYR 26 37.175 5.193 -2.001 202 HD2 TYR 26 HD2 TYR 26 34.700 2.320 0.015 203 HE1 TYR 26 HE1 TYR 26 37.363 3.667 -3.947 204 HE2 TYR 26 HE2 TYR 26 34.887 0.793 -1.930 205 HH TYR 26 HH TYR 26 37.154 1.300 -4.449 206 H PHE 27 H PHE 27 37.489 6.992 2.224 207 HA PHE 27 HA PHE 27 38.928 8.262 -0.008 208 1HB PHE 27 1HB PHE 27 37.225 9.111 2.127 209 2HB PHE 27 2HB PHE 27 38.789 9.898 2.342 210 HD1 PHE 27 HD1 PHE 27 39.851 10.995 0.231 211 HD2 PHE 27 HD2 PHE 27 35.700 9.938 0.548 212 HE1 PHE 27 HE1 PHE 27 39.311 12.563 -1.613 213 HE2 PHE 27 HE2 PHE 27 35.159 11.505 -1.296 214 HZ PHE 27 HZ PHE 27 36.965 12.817 -2.377 215 H ALA 28 H ALA 28 39.423 7.090 3.246 216 HA ALA 28 HA ALA 28 42.063 8.176 3.633 217 1HB ALA 28 1HB ALA 28 40.162 6.630 5.105 218 2HB ALA 28 2HB ALA 28 41.706 5.781 5.148 219 3HB ALA 28 3HB ALA 28 41.602 7.449 5.712 220 H ALA 29 H ALA 29 41.086 4.768 3.150 221 HA ALA 29 HA ALA 29 43.727 3.821 2.615 222 1HB ALA 29 1HB ALA 29 41.457 2.587 3.178 223 2HB ALA 29 2HB ALA 29 41.339 2.478 1.422 224 3HB ALA 29 3HB ALA 29 42.720 1.769 2.259 225 H LEU 30 H LEU 30 41.065 4.515 0.359 226 HA LEU 30 HA LEU 30 42.187 3.775 -2.041 227 1HB LEU 30 1HB LEU 30 39.933 4.829 -1.751 228 2HB LEU 30 2HB LEU 30 40.726 6.399 -1.643 229 HG LEU 30 HG LEU 30 39.823 5.660 -3.957 230 1HD1 LEU 30 1HD1 LEU 30 42.026 7.217 -3.148 231 2HD1 LEU 30 2HD1 LEU 30 42.591 6.277 -4.529 232 3HD1 LEU 30 3HD1 LEU 30 41.167 7.307 -4.685 233 1HD2 LEU 30 1HD2 LEU 30 40.865 3.348 -3.730 234 2HD2 LEU 30 2HD2 LEU 30 41.210 4.179 -5.247 235 3HD2 LEU 30 3HD2 LEU 30 42.432 4.118 -3.977 236 H SER 31 H SER 31 43.356 6.371 -0.010 237 HA SER 31 HA SER 31 44.858 7.580 -2.205 238 1HB SER 31 1HB SER 31 44.159 8.373 0.438 239 2HB SER 31 2HB SER 31 45.912 8.449 0.281 240 HG SER 31 HG SER 31 45.669 9.768 -1.500 241 HA PRO 32 HA PRO 32 48.601 5.421 -0.205 242 1HB PRO 32 1HB PRO 32 48.462 4.600 2.394 243 2HB PRO 32 2HB PRO 32 48.826 6.270 1.927 244 1HG PRO 32 1HG PRO 32 46.442 5.211 3.219 245 2HG PRO 32 2HG PRO 32 46.941 6.896 3.000 246 1HD PRO 32 1HD PRO 32 45.023 5.344 1.448 247 2HD PRO 32 2HD PRO 32 45.332 7.080 1.411 248 H ALA 33 H ALA 33 45.916 4.006 -0.899 249 HA ALA 33 HA ALA 33 46.107 1.376 0.315 250 1HB ALA 33 1HB ALA 33 44.448 2.701 -1.739 251 2HB ALA 33 2HB ALA 33 44.694 0.974 -1.992 252 3HB ALA 33 3HB ALA 33 43.981 1.551 -0.486 253 H ILE 34 H ILE 34 47.038 2.737 -2.844 254 HA ILE 34 HA ILE 34 47.941 0.546 -4.238 255 HB ILE 34 HB ILE 34 49.692 2.989 -3.913 256 1HG1 ILE 34 1HG1 ILE 34 47.909 3.319 -6.092 257 2HG1 ILE 34 2HG1 ILE 34 46.922 2.874 -4.700 258 1HG2 ILE 34 1HG2 ILE 34 49.936 0.731 -5.482 259 2HG2 ILE 34 2HG2 ILE 34 49.145 1.870 -6.572 260 3HG2 ILE 34 3HG2 ILE 34 50.686 2.290 -5.824 261 1HD1 ILE 34 1HD1 ILE 34 49.063 5.001 -4.535 262 2HD1 ILE 34 2HD1 ILE 34 47.402 5.375 -4.994 263 3HD1 ILE 34 3HD1 ILE 34 47.745 4.696 -3.403 264 H THR 35 H THR 35 49.808 2.223 -1.698 265 HA THR 35 HA THR 35 52.075 0.520 -1.756 266 HB THR 35 HB THR 35 51.273 1.504 0.909 267 HG1 THR 35 HG1 THR 35 51.316 3.627 0.337 268 1HG2 THR 35 1HG2 THR 35 53.659 1.927 -0.911 269 2HG2 THR 35 2HG2 THR 35 53.544 2.520 0.746 270 3HG2 THR 35 3HG2 THR 35 53.552 0.785 0.429 271 H PHE 36 H PHE 36 49.087 0.283 0.162 272 HA PHE 36 HA PHE 36 49.866 -2.070 1.605 273 1HB PHE 36 1HB PHE 36 47.383 -0.543 1.155 274 2HB PHE 36 2HB PHE 36 47.132 -2.264 1.452 275 HD1 PHE 36 HD1 PHE 36 49.441 0.410 2.743 276 HD2 PHE 36 HD2 PHE 36 46.754 -2.808 3.677 277 HE1 PHE 36 HE1 PHE 36 49.862 0.760 5.162 278 HE2 PHE 36 HE2 PHE 36 47.174 -2.458 6.096 279 HZ PHE 36 HZ PHE 36 48.729 -0.674 6.838 280 H GLY 37 H GLY 37 49.213 -4.282 1.213 281 1HA GLY 37 1HA GLY 37 48.433 -4.844 -1.618 282 2HA GLY 37 2HA GLY 37 49.767 -5.713 -0.860 283 H GLY 38 H GLY 38 47.151 -4.921 1.225 284 1HA GLY 38 1HA GLY 38 46.534 -7.764 1.566 285 2HA GLY 38 2HA GLY 38 45.833 -6.434 2.489 286 H LEU 39 H LEU 39 44.639 -4.861 0.660 287 HA LEU 39 HA LEU 39 42.292 -6.351 -0.074 288 1HB LEU 39 1HB LEU 39 42.532 -3.819 0.423 289 2HB LEU 39 2HB LEU 39 43.040 -3.681 -1.261 290 HG LEU 39 HG LEU 39 40.723 -5.332 -1.214 291 1HD1 LEU 39 1HD1 LEU 39 40.716 -3.555 0.983 292 2HD1 LEU 39 2HD1 LEU 39 39.656 -2.835 -0.229 293 3HD1 LEU 39 3HD1 LEU 39 39.349 -4.472 0.350 294 1HD2 LEU 39 1HD2 LEU 39 41.808 -3.150 -2.623 295 2HD2 LEU 39 2HD2 LEU 39 40.343 -4.046 -3.029 296 3HD2 LEU 39 3HD2 LEU 39 40.241 -2.592 -2.037 297 H LEU 40 H LEU 40 45.272 -5.634 -1.724 298 HA LEU 40 HA LEU 40 44.103 -6.545 -4.308 299 1HB LEU 40 1HB LEU 40 46.837 -5.362 -3.723 300 2HB LEU 40 2HB LEU 40 46.192 -5.732 -5.320 301 HG LEU 40 HG LEU 40 45.755 -3.438 -5.120 302 1HD1 LEU 40 1HD1 LEU 40 43.660 -4.965 -5.454 303 2HD1 LEU 40 2HD1 LEU 40 43.226 -4.436 -3.828 304 3HD1 LEU 40 3HD1 LEU 40 43.418 -3.250 -5.120 305 1HD2 LEU 40 1HD2 LEU 40 46.421 -3.451 -2.655 306 2HD2 LEU 40 2HD2 LEU 40 45.147 -2.315 -3.097 307 3HD2 LEU 40 3HD2 LEU 40 44.736 -3.832 -2.298 308 H GLY 41 H GLY 41 45.447 -7.930 -1.654 309 1HA GLY 41 1HA GLY 41 47.407 -9.682 -2.890 310 2HA GLY 41 2HA GLY 41 46.713 -9.884 -1.281 311 H GLU 42 H GLU 42 46.258 -10.577 -4.695 312 HA GLU 42 HA GLU 42 43.797 -12.090 -4.241 313 1HB GLU 42 1HB GLU 42 45.619 -11.764 -6.637 314 2HB GLU 42 2HB GLU 42 44.179 -12.782 -6.657 315 1HG GLU 42 1HG GLU 42 43.992 -9.924 -5.735 316 2HG GLU 42 2HG GLU 42 43.970 -10.305 -7.458 317 H LYS 43 H LYS 43 47.203 -12.706 -4.180 318 HA LYS 43 HA LYS 43 47.420 -15.404 -4.843 319 1HB LYS 43 1HB LYS 43 48.711 -13.850 -2.589 320 2HB LYS 43 2HB LYS 43 49.164 -15.508 -2.988 321 1HG LYS 43 1HG LYS 43 50.189 -14.904 -4.945 322 2HG LYS 43 2HG LYS 43 49.051 -13.594 -5.258 323 1HD LYS 43 1HD LYS 43 51.025 -13.412 -2.988 324 2HD LYS 43 2HD LYS 43 51.489 -12.964 -4.629 325 1HE LYS 43 1HE LYS 43 48.986 -11.745 -4.189 326 2HE LYS 43 2HE LYS 43 49.920 -11.467 -2.718 327 1HZ LYS 43 1HZ LYS 43 51.388 -11.109 -5.183 328 2HZ LYS 43 2HZ LYS 43 50.130 -9.992 -4.940 329 3HZ LYS 43 3HZ LYS 43 51.360 -10.148 -3.782
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