NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
651876 | 6z0h | 50264 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ARG 1 3H ARG 1 17.993 22.678 22.652 2 HA ARG 1 HA ARG 1 19.883 21.450 23.449 3 HB2 ARG 1 1HB ARG 1 18.650 22.981 24.989 4 HB3 ARG 1 2HB ARG 1 17.711 21.600 25.559 5 HG2 ARG 1 1HG ARG 1 19.815 20.475 26.243 6 HG3 ARG 1 2HG ARG 1 20.724 21.898 25.733 7 HD2 ARG 1 1HD ARG 1 19.395 23.270 27.342 8 HD3 ARG 1 2HD ARG 1 18.614 21.795 27.905 9 HE ARG 1 HE ARG 1 21.213 21.182 28.215 10 HH11 ARG 1 1HH1 ARG 1 19.434 24.054 29.169 11 HH12 ARG 1 2HH1 ARG 1 20.470 24.368 30.521 12 HH21 ARG 1 1HH2 ARG 1 22.512 21.637 29.970 13 HH22 ARG 1 2HH2 ARG 1 22.191 23.016 30.967 14 H SER 2 H SER 2 16.802 19.747 23.849 15 HA SER 2 HA SER 2 17.700 17.475 25.199 16 HB2 SER 2 1HB SER 2 15.537 17.638 23.087 17 HB3 SER 2 2HB SER 2 15.735 16.346 24.266 18 HG SER 2 HG SER 2 14.217 17.969 24.913 19 H LEU 3 H LEU 3 18.454 15.477 24.545 20 HA LEU 3 HA LEU 3 20.314 15.392 22.460 21 HB2 LEU 3 1HB LEU 3 18.948 13.220 24.036 22 HB3 LEU 3 2HB LEU 3 20.159 12.864 22.804 23 HG LEU 3 HG LEU 3 21.577 14.675 24.083 24 HD11 LEU 3 1HD1 LEU 3 20.077 15.507 25.688 25 HD12 LEU 3 2HD1 LEU 3 21.022 14.337 26.610 26 HD13 LEU 3 3HD1 LEU 3 19.411 13.910 26.030 27 HD21 LEU 3 1HD2 LEU 3 21.992 12.174 23.878 28 HD22 LEU 3 2HD2 LEU 3 21.122 11.986 25.400 29 HD23 LEU 3 3HD2 LEU 3 22.619 12.918 25.350 30 H LEU 4 H LEU 4 16.873 14.845 22.343 31 HA LEU 4 HA LEU 4 16.689 13.099 20.154 32 HB2 LEU 4 1HB LEU 4 14.816 13.815 21.664 33 HB3 LEU 4 2HB LEU 4 14.793 15.359 20.815 34 HG LEU 4 HG LEU 4 14.564 13.923 18.660 35 HD11 LEU 4 1HD1 LEU 4 13.846 11.711 18.862 36 HD12 LEU 4 2HD1 LEU 4 13.315 11.929 20.530 37 HD13 LEU 4 3HD1 LEU 4 15.035 11.811 20.161 38 HD21 LEU 4 1HD2 LEU 4 12.787 15.355 19.715 39 HD22 LEU 4 2HD2 LEU 4 12.270 13.947 20.642 40 HD23 LEU 4 3HD2 LEU 4 12.147 13.938 18.883 41 H GLU 5 H GLU 5 17.464 16.510 20.264 42 HA GLU 5 HA GLU 5 16.775 17.112 17.560 43 HB2 GLU 5 1HB GLU 5 18.657 18.493 19.479 44 HB3 GLU 5 2HB GLU 5 18.152 19.150 17.921 45 HG2 GLU 5 1HG GLU 5 15.780 18.992 18.656 46 HG3 GLU 5 2HG GLU 5 16.327 18.429 20.230 47 H GLY 6 H GLY 6 19.618 15.667 19.008 48 HA2 GLY 6 1HA GLY 6 21.069 14.307 17.698 49 HA3 GLY 6 2HA GLY 6 20.683 15.290 16.297 50 H GLU 7 H GLU 7 21.226 17.560 18.601 51 HA GLU 7 HA GLU 7 23.613 18.468 17.471 52 HB2 GLU 7 1HB GLU 7 22.017 19.841 18.809 53 HB3 GLU 7 2HB GLU 7 22.628 19.058 20.267 54 HG2 GLU 7 1HG GLU 7 24.920 19.838 19.688 55 HG3 GLU 7 2HG GLU 7 24.257 20.689 18.300 56 H ILE 8 H ILE 8 23.133 16.150 20.067 57 HA ILE 8 HA ILE 8 25.624 16.258 21.308 58 HB ILE 8 HB ILE 8 23.710 14.946 22.126 59 HG12 ILE 8 1HG1 ILE 8 26.129 13.202 21.570 60 HG13 ILE 8 2HG1 ILE 8 26.024 14.401 22.859 61 HG21 ILE 8 1HG2 ILE 8 24.368 12.978 19.919 62 HG22 ILE 8 2HG2 ILE 8 23.023 14.117 19.850 63 HG23 ILE 8 3HG2 ILE 8 23.055 12.865 21.092 64 HD11 ILE 8 1HD1 ILE 8 25.512 12.157 23.728 65 HD12 ILE 8 2HD1 ILE 8 24.214 11.989 22.545 66 HD13 ILE 8 3HD1 ILE 8 24.092 13.200 23.821 67 HA PRO 9 HA PRO 9 28.416 14.908 18.066 68 HB2 PRO 9 1HB PRO 9 29.865 13.348 20.148 69 HB3 PRO 9 2HB PRO 9 30.478 14.580 19.028 70 HG2 PRO 9 1HG PRO 9 30.146 15.119 21.601 71 HG3 PRO 9 2HG PRO 9 29.785 16.328 20.353 72 HD2 PRO 9 1HD PRO 9 27.888 14.650 21.947 73 HD3 PRO 9 2HD PRO 9 27.720 16.338 21.414 74 H PHE 10 H PHE 10 28.613 13.138 16.702 75 HA PHE 10 HA PHE 10 26.790 11.045 16.903 76 HB2 PHE 10 1HB PHE 10 28.189 9.948 15.123 77 HB3 PHE 10 2HB PHE 10 27.670 11.585 14.767 78 HD1 PHE 10 HD1 PHE 10 30.557 9.609 16.083 79 HD2 PHE 10 HD2 PHE 10 29.245 13.231 14.183 80 HE1 PHE 10 HE1 PHE 10 32.918 10.258 15.691 81 HE2 PHE 10 HE2 PHE 10 31.606 13.880 13.790 82 HZ PHE 10 HZ PHE 10 33.443 12.394 14.544 83 HA PRO 11 HA PRO 11 28.660 8.302 19.836 84 HB2 PRO 11 1HB PRO 11 28.050 5.813 18.719 85 HB3 PRO 11 2HB PRO 11 26.989 6.759 19.777 86 HG2 PRO 11 1HG PRO 11 26.967 6.494 16.830 87 HG3 PRO 11 2HG PRO 11 25.618 6.682 17.964 88 HD2 PRO 11 1HD PRO 11 26.502 8.738 16.427 89 HD3 PRO 11 2HD PRO 11 25.819 8.988 18.049 90 HA PRO 12 HA PRO 12 32.682 7.406 18.048 91 HB2 PRO 12 1HB PRO 12 32.954 5.207 20.030 92 HB3 PRO 12 2HB PRO 12 34.005 6.607 19.741 93 HG2 PRO 12 1HG PRO 12 32.433 6.453 21.885 94 HG3 PRO 12 2HG PRO 12 32.758 7.993 21.068 95 HD2 PRO 12 1HD PRO 12 30.291 6.301 20.971 96 HD3 PRO 12 2HD PRO 12 30.449 8.072 20.938 97 H THR 13 H THR 13 30.424 4.767 18.778 98 HA THR 13 HA THR 13 31.546 2.776 17.141 99 HB THR 13 HB THR 13 28.605 3.261 17.658 100 HG1 THR 13 HG1 THR 13 28.921 2.401 19.571 101 HG21 THR 13 1HG2 THR 13 29.069 1.591 15.918 102 HG22 THR 13 2HG2 THR 13 28.472 0.804 17.379 103 HG23 THR 13 3HG2 THR 13 30.193 0.764 16.997 104 H SER 14 H SER 14 29.462 5.531 16.337 105 HA SER 14 HA SER 14 28.795 4.713 13.719 106 HB2 SER 14 1HB SER 14 27.630 6.552 14.843 107 HB3 SER 14 2HB SER 14 29.104 7.513 14.824 108 HG SER 14 HG SER 14 28.620 8.045 12.854 109 H ILE 15 H ILE 15 31.417 6.863 14.876 110 HA ILE 15 HA ILE 15 32.533 7.252 12.309 111 HB ILE 15 HB ILE 15 33.108 8.685 14.211 112 HG12 ILE 15 1HG1 ILE 15 35.611 7.349 13.181 113 HG13 ILE 15 2HG1 ILE 15 34.583 8.339 12.145 114 HG21 ILE 15 1HG2 ILE 15 33.364 7.299 16.074 115 HG22 ILE 15 2HG2 ILE 15 35.018 7.763 15.694 116 HG23 ILE 15 3HG2 ILE 15 34.424 6.173 15.228 117 HD11 ILE 15 1HD1 ILE 15 35.854 9.255 14.742 118 HD12 ILE 15 2HD1 ILE 15 34.839 10.240 13.689 119 HD13 ILE 15 3HD1 ILE 15 36.414 9.680 13.124 120 H LEU 16 H LEU 16 32.949 4.616 14.622 121 HA LEU 16 HA LEU 16 35.108 3.326 13.354 122 HB2 LEU 16 1HB LEU 16 34.184 2.658 15.555 123 HB3 LEU 16 2HB LEU 16 32.747 2.040 14.745 124 HG LEU 16 HG LEU 16 34.266 0.535 13.394 125 HD11 LEU 16 1HD1 LEU 16 36.507 0.159 14.770 126 HD12 LEU 16 2HD1 LEU 16 36.262 1.851 15.204 127 HD13 LEU 16 3HD1 LEU 16 36.418 1.387 13.510 128 HD21 LEU 16 1HD2 LEU 16 34.600 -1.059 15.275 129 HD22 LEU 16 2HD2 LEU 16 33.006 -0.306 15.322 130 HD23 LEU 16 3HD2 LEU 16 34.275 0.246 16.415 131 H LEU 17 H LEU 17 31.623 3.265 12.657 132 HA LEU 17 HA LEU 17 31.685 1.329 10.620 133 HB2 LEU 17 1HB LEU 17 29.613 2.311 11.609 134 HB3 LEU 17 2HB LEU 17 29.927 3.789 10.700 135 HG LEU 17 HG LEU 17 29.982 2.345 8.603 136 HD11 LEU 17 1HD1 LEU 17 29.132 0.344 10.679 137 HD12 LEU 17 2HD1 LEU 17 30.268 0.146 9.344 138 HD13 LEU 17 3HD1 LEU 17 28.534 0.195 9.026 139 HD21 LEU 17 1HD2 LEU 17 28.042 3.726 9.121 140 HD22 LEU 17 2HD2 LEU 17 27.439 2.512 10.250 141 HD23 LEU 17 3HD2 LEU 17 27.483 2.164 8.522 142 H LEU 18 H LEU 18 32.394 4.804 10.525 143 HA LEU 18 HA LEU 18 32.698 5.030 7.729 144 HB2 LEU 18 1HB LEU 18 34.228 6.524 9.871 145 HB3 LEU 18 2HB LEU 18 34.051 7.012 8.187 146 HG LEU 18 HG LEU 18 31.752 6.652 10.134 147 HD11 LEU 18 1HD1 LEU 18 32.658 9.270 8.962 148 HD12 LEU 18 2HD1 LEU 18 33.453 8.633 10.400 149 HD13 LEU 18 3HD1 LEU 18 31.723 8.973 10.427 150 HD21 LEU 18 1HD2 LEU 18 31.964 7.456 7.235 151 HD22 LEU 18 2HD2 LEU 18 30.624 8.032 8.226 152 HD23 LEU 18 3HD2 LEU 18 30.860 6.301 7.981 153 H LEU 19 H LEU 19 34.984 3.987 10.232 154 HA LEU 19 HA LEU 19 37.208 3.624 8.536 155 HB2 LEU 19 1HB LEU 19 36.449 2.008 10.982 156 HB3 LEU 19 2HB LEU 19 38.037 2.038 10.221 157 HG LEU 19 HG LEU 19 36.637 4.479 11.351 158 HD11 LEU 19 1HD1 LEU 19 38.576 2.509 12.522 159 HD12 LEU 19 2HD1 LEU 19 37.206 3.317 13.283 160 HD13 LEU 19 3HD1 LEU 19 38.698 4.205 12.993 161 HD21 LEU 19 1HD2 LEU 19 39.292 3.962 10.027 162 HD22 LEU 19 2HD2 LEU 19 39.132 5.273 11.196 163 HD23 LEU 19 3HD2 LEU 19 38.144 5.269 9.735 164 H ALA 20 H ALA 20 34.390 1.579 9.109 165 HA ALA 20 HA ALA 20 35.253 -0.691 7.683 166 HB1 ALA 20 1HB ALA 20 33.071 -0.269 9.064 167 HB2 ALA 20 2HB ALA 20 33.029 -1.380 7.695 168 HB3 ALA 20 3HB ALA 20 32.413 0.263 7.516 169 H CYS 21 H CYS 21 33.734 2.315 6.570 170 HA CYS 21 HA CYS 21 33.510 1.638 3.844 171 HB2 CYS 21 1HB CYS 21 34.128 4.363 5.010 172 HB3 CYS 21 2HB CYS 21 33.449 4.034 3.416 173 HG CYS 21 HG CYS 21 31.266 4.180 4.591 174 H ILE 22 H ILE 22 36.230 2.967 5.703 175 HA ILE 22 HA ILE 22 38.009 3.326 3.548 176 HB ILE 22 HB ILE 22 38.712 2.468 6.363 177 HG12 ILE 22 1HG1 ILE 22 37.312 4.469 6.435 178 HG13 ILE 22 2HG1 ILE 22 38.978 4.896 6.801 179 HG21 ILE 22 1HG2 ILE 22 40.661 2.273 5.055 180 HG22 ILE 22 2HG2 ILE 22 40.784 3.887 5.755 181 HG23 ILE 22 3HG2 ILE 22 40.258 3.689 4.084 182 HD11 ILE 22 1HD1 ILE 22 37.270 5.793 4.608 183 HD12 ILE 22 2HD1 ILE 22 38.823 5.202 4.025 184 HD13 ILE 22 3HD1 ILE 22 38.764 6.495 5.220 185 H PHE 23 H PHE 23 37.187 0.422 5.426 186 HA PHE 23 HA PHE 23 39.152 -1.278 4.372 187 HB2 PHE 23 1HB PHE 23 37.590 -1.846 6.233 188 HB3 PHE 23 2HB PHE 23 36.315 -2.050 5.048 189 HD1 PHE 23 HD1 PHE 23 36.296 -3.963 3.528 190 HD2 PHE 23 HD2 PHE 23 39.416 -3.449 6.436 191 HE1 PHE 23 HE1 PHE 23 37.001 -6.316 3.188 192 HE2 PHE 23 HE2 PHE 23 40.121 -5.802 6.095 193 HZ PHE 23 HZ PHE 23 38.914 -7.235 4.471 194 H LEU 24 H LEU 24 35.968 -0.382 3.036 195 HA LEU 24 HA LEU 24 36.076 -2.048 0.779 196 HB2 LEU 24 1HB LEU 24 34.742 0.594 1.294 197 HB3 LEU 24 2HB LEU 24 34.729 -0.090 -0.321 198 HG LEU 24 HG LEU 24 32.701 -0.658 0.994 199 HD11 LEU 24 1HD1 LEU 24 33.929 -2.196 -0.763 200 HD12 LEU 24 2HD1 LEU 24 32.537 -2.795 0.139 201 HD13 LEU 24 3HD1 LEU 24 34.169 -3.239 0.639 202 HD21 LEU 24 1HD2 LEU 24 33.832 -0.794 3.221 203 HD22 LEU 24 2HD2 LEU 24 34.575 -2.310 2.711 204 HD23 LEU 24 3HD2 LEU 24 32.822 -2.197 2.869 205 H ILE 25 H ILE 25 37.502 1.173 1.296 206 HA ILE 25 HA ILE 25 38.587 1.487 -1.275 207 HB ILE 25 HB ILE 25 39.860 2.382 1.323 208 HG12 ILE 25 1HG1 ILE 25 37.946 3.862 -0.507 209 HG13 ILE 25 2HG1 ILE 25 37.460 3.095 1.005 210 HG21 ILE 25 1HG2 ILE 25 41.312 2.489 -0.703 211 HG22 ILE 25 2HG2 ILE 25 40.916 4.086 -0.067 212 HG23 ILE 25 3HG2 ILE 25 40.082 3.474 -1.495 213 HD11 ILE 25 1HD1 ILE 25 39.396 4.501 2.054 214 HD12 ILE 25 2HD1 ILE 25 37.871 5.302 1.676 215 HD13 ILE 25 3HD1 ILE 25 39.251 5.476 0.591 216 H ALA 26 H ALA 26 39.761 -0.427 1.468 217 HA ALA 26 HA ALA 26 42.257 -1.144 0.421 218 HB1 ALA 26 1HB ALA 26 42.299 -2.838 2.022 219 HB2 ALA 26 2HB ALA 26 40.567 -3.142 1.891 220 HB3 ALA 26 3HB ALA 26 41.148 -1.699 2.722 221 H ILE 27 H ILE 27 39.046 -2.582 -0.123 222 HA ILE 27 HA ILE 27 39.886 -4.707 -1.769 223 HB ILE 27 HB ILE 27 37.301 -3.134 -1.933 224 HG12 ILE 27 1HG1 ILE 27 37.949 -5.685 -0.423 225 HG13 ILE 27 2HG1 ILE 27 37.853 -4.091 0.325 226 HG21 ILE 27 1HG2 ILE 27 37.778 -4.601 -3.902 227 HG22 ILE 27 2HG2 ILE 27 36.391 -5.155 -2.964 228 HG23 ILE 27 3HG2 ILE 27 37.947 -5.970 -2.803 229 HD11 ILE 27 1HD1 ILE 27 35.657 -5.765 -0.850 230 HD12 ILE 27 2HD1 ILE 27 35.492 -4.009 -0.837 231 HD13 ILE 27 3HD1 ILE 27 35.693 -4.887 0.679 232 H LEU 28 H LEU 28 39.234 -1.298 -2.533 233 HA LEU 28 HA LEU 28 39.581 -1.472 -5.326 234 HB2 LEU 28 1HB LEU 28 38.814 0.572 -4.089 235 HB3 LEU 28 2HB LEU 28 40.487 0.834 -3.595 236 HG LEU 28 HG LEU 28 41.105 0.740 -6.062 237 HD11 LEU 28 1HD1 LEU 28 39.025 1.472 -7.481 238 HD12 LEU 28 2HD1 LEU 28 38.100 0.688 -6.200 239 HD13 LEU 28 3HD1 LEU 28 39.270 -0.240 -7.138 240 HD21 LEU 28 1HD2 LEU 28 40.747 2.838 -4.611 241 HD22 LEU 28 2HD2 LEU 28 39.179 2.976 -5.406 242 HD23 LEU 28 3HD2 LEU 28 40.661 3.059 -6.358 243 H ALA 29 H ALA 29 41.952 -1.303 -2.709 244 HA ALA 29 HA ALA 29 44.275 -1.060 -4.277 245 HB1 ALA 29 1HB ALA 29 43.900 -1.120 -1.657 246 HB2 ALA 29 2HB ALA 29 45.448 -1.587 -2.362 247 HB3 ALA 29 3HB ALA 29 44.295 -2.827 -1.868 248 H ALA 30 H ALA 30 42.368 -3.908 -3.380 249 HA ALA 30 HA ALA 30 44.050 -5.875 -4.487 250 HB1 ALA 30 1HB ALA 30 41.942 -6.208 -3.074 251 HB2 ALA 30 2HB ALA 30 42.180 -7.332 -4.412 252 HB3 ALA 30 3HB ALA 30 41.036 -5.999 -4.573 253 H SER 31 H SER 31 41.517 -3.880 -5.985 254 HA SER 31 HA SER 31 41.622 -4.981 -8.563 255 HB2 SER 31 1HB SER 31 41.207 -2.066 -7.861 256 HB3 SER 31 2HB SER 31 40.714 -2.869 -9.348 257 HG SER 31 HG SER 31 39.841 -3.474 -6.708 258 H ALA 32 H ALA 32 43.693 -2.524 -7.042 259 HA ALA 32 HA ALA 32 45.231 -1.870 -9.302 260 HB1 ALA 32 1HB ALA 32 46.676 -0.815 -7.837 261 HB2 ALA 32 2HB ALA 32 46.535 -2.082 -6.618 262 HB3 ALA 32 3HB ALA 32 45.228 -0.919 -6.836 263 H LEU 33 H LEU 33 45.543 -4.526 -6.966 264 HA LEU 33 HA LEU 33 47.966 -5.593 -7.925 265 HB2 LEU 33 1HB LEU 33 45.604 -7.105 -6.785 266 HB3 LEU 33 2HB LEU 33 47.261 -7.695 -6.895 267 HG LEU 33 HG LEU 33 46.409 -5.237 -5.336 268 HD11 LEU 33 1HD1 LEU 33 46.544 -6.545 -3.367 269 HD12 LEU 33 2HD1 LEU 33 47.365 -7.866 -4.199 270 HD13 LEU 33 3HD1 LEU 33 45.653 -7.563 -4.499 271 HD21 LEU 33 1HD2 LEU 33 48.686 -4.966 -5.960 272 HD22 LEU 33 2HD2 LEU 33 49.033 -6.682 -5.745 273 HD23 LEU 33 3HD2 LEU 33 48.755 -5.655 -4.338 274 H TRP 34 H TRP 34 44.625 -6.040 -9.050 275 HA TRP 34 HA TRP 34 45.142 -7.960 -11.045 276 HB2 TRP 34 1HB TRP 34 42.886 -7.085 -10.316 277 HB3 TRP 34 2HB TRP 34 43.197 -5.675 -11.310 278 HD1 TRP 34 HD1 TRP 34 42.387 -5.817 -13.705 279 HE1 TRP 34 HE1 TRP 34 41.654 -7.710 -15.292 280 HE3 TRP 34 HE3 TRP 34 43.461 -9.873 -10.795 281 HZ2 TRP 34 HZ2 TRP 34 41.539 -10.572 -15.324 282 HZ3 TRP 34 HZ3 TRP 34 43.032 -12.165 -11.625 283 HH2 TRP 34 HH2 TRP 34 42.074 -12.522 -13.882 284 H ALA 35 H ALA 35 45.639 -4.468 -11.032 285 HA ALA 35 HA ALA 35 46.318 -4.121 -13.739 286 HB1 ALA 35 1HB ALA 35 47.157 -2.054 -13.122 287 HB2 ALA 35 2HB ALA 35 47.832 -2.662 -11.610 288 HB3 ALA 35 3HB ALA 35 46.094 -2.400 -11.757 289 H ALA 36 H ALA 36 48.293 -5.109 -10.971 290 HA ALA 36 HA ALA 36 50.733 -5.459 -12.336 291 HB1 ALA 36 1HB ALA 36 50.141 -5.627 -9.789 292 HB2 ALA 36 2HB ALA 36 51.474 -6.577 -10.445 293 HB3 ALA 36 3HB ALA 36 49.909 -7.337 -10.153 294 H ALA 37 H ALA 37 47.936 -7.597 -12.027 295 HA ALA 37 HA ALA 37 49.038 -9.928 -13.096 296 HB1 ALA 37 1HB ALA 37 46.691 -9.448 -12.054 297 HB2 ALA 37 2HB ALA 37 46.865 -10.720 -13.263 298 HB3 ALA 37 3HB ALA 37 46.216 -9.147 -13.726 299 H TRP 38 H TRP 38 47.760 -7.089 -14.765 300 HA TRP 38 HA TRP 38 47.667 -8.072 -17.358 301 HB2 TRP 38 1HB TRP 38 48.214 -5.363 -16.227 302 HB3 TRP 38 2HB TRP 38 48.361 -5.626 -17.954 303 HD1 TRP 38 HD1 TRP 38 45.830 -5.359 -15.154 304 HE1 TRP 38 HE1 TRP 38 43.461 -5.271 -16.162 305 HE3 TRP 38 HE3 TRP 38 46.906 -6.444 -20.025 306 HZ2 TRP 38 HZ2 TRP 38 42.186 -5.617 -18.704 307 HZ3 TRP 38 HZ3 TRP 38 45.101 -6.560 -21.715 308 HH2 TRP 38 HH2 TRP 38 42.746 -6.149 -21.065 309 H HIS 39 H HIS 39 50.506 -7.368 -15.460 310 HA HIS 39 HA HIS 39 52.406 -6.954 -17.462 311 HB2 HIS 39 1HB HIS 39 52.842 -6.666 -15.068 312 HB3 HIS 39 2HB HIS 39 52.741 -8.401 -14.837 313 HD1 HIS 39 HD1 HIS 39 54.755 -9.829 -15.624 314 HD2 HIS 39 HD2 HIS 39 55.256 -5.739 -16.259 315 HE1 HIS 39 HE1 HIS 39 57.197 -9.488 -16.196 316 H GLY 40 H GLY 40 50.749 -9.895 -16.627 317 HA2 GLY 40 1HA GLY 40 52.642 -11.834 -17.245 318 HA3 GLY 40 2HA GLY 40 50.906 -12.045 -17.414 319 H GLN 41 H GLN 41 50.868 -9.762 -19.447 320 HA GLN 41 HA GLN 41 50.906 -11.317 -21.770 321 HB2 GLN 41 1HB GLN 41 51.207 -8.320 -21.460 322 HB3 GLN 41 2HB GLN 41 50.879 -9.142 -22.986 323 HG2 GLN 41 1HG GLN 41 48.800 -10.058 -22.086 324 HG3 GLN 41 2HG GLN 41 49.133 -9.333 -20.516 325 HE21 GLN 41 1HE2 GLN 41 46.754 -8.703 -21.980 326 HE22 GLN 41 2HE2 GLN 41 46.838 -7.076 -22.458 327 H LYS 42 H LYS 42 52.382 -11.605 -23.426 328 HA LYS 42 HA LYS 42 55.063 -11.866 -22.736 329 HB2 LYS 42 1HB LYS 42 53.782 -11.641 -25.467 330 HB3 LYS 42 2HB LYS 42 55.456 -12.126 -25.198 331 HG2 LYS 42 1HG LYS 42 54.741 -14.042 -23.879 332 HG3 LYS 42 2HG LYS 42 53.057 -13.529 -23.987 333 HD2 LYS 42 1HD LYS 42 53.157 -15.110 -25.695 334 HD3 LYS 42 2HD LYS 42 53.497 -13.624 -26.583 335 HE2 LYS 42 1HE LYS 42 55.223 -15.016 -27.316 336 HE3 LYS 42 2HE LYS 42 55.995 -14.158 -25.984 337 HZ1 LYS 42 1HZ LYS 42 55.939 -16.812 -26.202 338 HZ2 LYS 42 2HZ LYS 42 54.550 -16.563 -25.256 339 HZ3 LYS 42 3HZ LYS 42 56.059 -15.996 -24.720 340 HA PRO 43 HA PRO 43 56.663 -7.712 -23.068 341 HB2 PRO 43 1HB PRO 43 59.172 -8.199 -24.158 342 HB3 PRO 43 2HB PRO 43 58.768 -8.320 -22.436 343 HG2 PRO 43 1HG PRO 43 59.000 -10.467 -24.474 344 HG3 PRO 43 2HG PRO 43 59.493 -10.463 -22.770 345 HD2 PRO 43 1HD PRO 43 57.240 -11.714 -23.577 346 HD3 PRO 43 2HD PRO 43 57.343 -10.904 -21.998 347 H GLY 44 H GLY 44 56.598 -9.832 -25.845 348 HA2 GLY 44 1HA GLY 44 57.448 -8.119 -27.879 349 HA3 GLY 44 2HA GLY 44 56.298 -9.435 -28.090 350 H THR 45 H THR 45 56.430 -6.644 -29.198 351 HA THR 45 HA THR 45 54.426 -5.002 -28.146 352 HB THR 45 HB THR 45 54.305 -4.009 -30.387 353 HG1 THR 45 HG1 THR 45 54.369 -5.928 -31.583 354 HG21 THR 45 1HG2 THR 45 56.578 -3.302 -30.529 355 HG22 THR 45 2HG2 THR 45 57.167 -4.817 -29.846 356 HG23 THR 45 3HG2 THR 45 56.301 -3.667 -28.827 357 H HIS 46 H HIS 46 52.226 -4.803 -28.538 358 HA HIS 46 HA HIS 46 50.916 -6.966 -30.057 359 HB2 HIS 46 1HB HIS 46 49.285 -7.279 -28.285 360 HB3 HIS 46 2HB HIS 46 50.902 -7.606 -27.691 361 HD1 HIS 46 HD1 HIS 46 52.004 -5.569 -26.256 362 HD2 HIS 46 HD2 HIS 46 47.874 -5.418 -26.808 363 HE1 HIS 46 HE1 HIS 46 51.110 -3.949 -24.529 Start of MODEL 2 1 H ARG 1 3H ARG 1 23.904 -3.831 12.520 2 HA ARG 1 HA ARG 1 21.838 -1.798 12.177 3 HB2 ARG 1 1HB ARG 1 21.931 -2.982 9.987 4 HB3 ARG 1 2HB ARG 1 21.739 -4.517 10.835 5 HG2 ARG 1 1HG ARG 1 19.583 -3.705 11.770 6 HG3 ARG 1 2HG ARG 1 19.764 -2.216 10.840 7 HD2 ARG 1 1HD ARG 1 19.860 -3.578 8.752 8 HD3 ARG 1 2HD ARG 1 19.550 -5.020 9.713 9 HE ARG 1 HE ARG 1 17.330 -4.357 9.940 10 HH11 ARG 1 1HH1 ARG 1 19.171 -1.717 8.538 11 HH12 ARG 1 2HH1 ARG 1 17.753 -0.804 8.147 12 HH21 ARG 1 1HH2 ARG 1 15.540 -3.135 9.412 13 HH22 ARG 1 2HH2 ARG 1 15.724 -1.598 8.637 14 H SER 2 H SER 2 22.155 -5.330 12.599 15 HA SER 2 HA SER 2 20.167 -5.574 14.546 16 HB2 SER 2 1HB SER 2 21.136 -7.468 13.265 17 HB3 SER 2 2HB SER 2 22.617 -7.315 14.203 18 HG SER 2 HG SER 2 20.199 -8.415 14.866 19 H LEU 3 H LEU 3 20.148 -5.601 16.744 20 HA LEU 3 HA LEU 3 21.897 -4.024 18.244 21 HB2 LEU 3 1HB LEU 3 19.554 -4.776 18.822 22 HB3 LEU 3 2HB LEU 3 20.253 -6.303 19.342 23 HG LEU 3 HG LEU 3 21.538 -3.833 20.430 24 HD11 LEU 3 1HD1 LEU 3 19.861 -3.278 21.961 25 HD12 LEU 3 2HD1 LEU 3 19.010 -4.806 21.736 26 HD13 LEU 3 3HD1 LEU 3 18.941 -3.566 20.485 27 HD21 LEU 3 1HD2 LEU 3 20.602 -6.217 22.008 28 HD22 LEU 3 2HD2 LEU 3 22.020 -5.201 22.259 29 HD23 LEU 3 3HD2 LEU 3 22.000 -6.379 20.950 30 H LEU 4 H LEU 4 22.297 -7.299 17.204 31 HA LEU 4 HA LEU 4 23.779 -8.393 19.317 32 HB2 LEU 4 1HB LEU 4 24.000 -9.002 16.361 33 HB3 LEU 4 2HB LEU 4 24.562 -10.032 17.676 34 HG LEU 4 HG LEU 4 21.681 -9.177 17.256 35 HD11 LEU 4 1HD1 LEU 4 22.084 -10.718 15.533 36 HD12 LEU 4 2HD1 LEU 4 21.514 -11.753 16.844 37 HD13 LEU 4 3HD1 LEU 4 23.240 -11.638 16.496 38 HD21 LEU 4 1HD2 LEU 4 22.024 -9.598 19.582 39 HD22 LEU 4 2HD2 LEU 4 23.065 -10.983 19.253 40 HD23 LEU 4 3HD2 LEU 4 21.333 -11.087 18.935 41 H GLU 5 H GLU 5 24.713 -6.021 16.963 42 HA GLU 5 HA GLU 5 27.510 -6.618 16.914 43 HB2 GLU 5 1HB GLU 5 26.221 -5.251 15.213 44 HB3 GLU 5 2HB GLU 5 26.247 -3.929 16.381 45 HG2 GLU 5 1HG GLU 5 28.132 -3.608 14.925 46 HG3 GLU 5 2HG GLU 5 28.762 -4.176 16.468 47 H GLY 6 H GLY 6 25.514 -4.710 19.116 48 HA2 GLY 6 1HA GLY 6 25.979 -4.299 21.330 49 HA3 GLY 6 2HA GLY 6 27.522 -5.096 21.105 50 H GLU 7 H GLU 7 27.458 -2.672 18.801 51 HA GLU 7 HA GLU 7 29.450 -1.141 20.039 52 HB2 GLU 7 1HB GLU 7 27.497 -0.324 17.875 53 HB3 GLU 7 2HB GLU 7 28.938 0.586 18.325 54 HG2 GLU 7 1HG GLU 7 30.327 -1.411 17.815 55 HG3 GLU 7 2HG GLU 7 28.880 -2.257 17.291 56 H ILE 8 H ILE 8 29.452 0.777 21.205 57 HA ILE 8 HA ILE 8 27.392 1.139 23.063 58 HB ILE 8 HB ILE 8 29.501 3.145 22.205 59 HG12 ILE 8 1HG1 ILE 8 29.616 1.202 24.520 60 HG13 ILE 8 2HG1 ILE 8 30.310 0.825 22.944 61 HG21 ILE 8 1HG2 ILE 8 27.505 3.886 23.691 62 HG22 ILE 8 2HG2 ILE 8 29.137 4.261 24.237 63 HG23 ILE 8 3HG2 ILE 8 28.264 2.899 24.936 64 HD11 ILE 8 1HD1 ILE 8 31.839 2.660 23.073 65 HD12 ILE 8 2HD1 ILE 8 31.924 1.837 24.629 66 HD13 ILE 8 3HD1 ILE 8 31.013 3.338 24.475 67 HA PRO 9 HA PRO 9 24.379 3.344 20.603 68 HB2 PRO 9 1HB PRO 9 23.275 5.023 22.548 69 HB3 PRO 9 2HB PRO 9 22.786 3.352 22.216 70 HG2 PRO 9 1HG PRO 9 24.603 4.404 24.318 71 HG3 PRO 9 2HG PRO 9 23.399 3.102 24.405 72 HD2 PRO 9 1HD PRO 9 26.008 2.523 24.229 73 HD3 PRO 9 2HD PRO 9 24.799 1.542 23.378 74 H PHE 10 H PHE 10 26.678 5.176 22.527 75 HA PHE 10 HA PHE 10 26.034 7.743 21.706 76 HB2 PHE 10 1HB PHE 10 28.624 6.519 22.597 77 HB3 PHE 10 2HB PHE 10 28.512 8.214 22.164 78 HD1 PHE 10 HD1 PHE 10 26.536 9.540 23.329 79 HD2 PHE 10 HD2 PHE 10 28.266 5.901 24.813 80 HE1 PHE 10 HE1 PHE 10 25.713 10.078 25.607 81 HE2 PHE 10 HE2 PHE 10 27.444 6.438 27.090 82 HZ PHE 10 HZ PHE 10 26.166 8.526 27.487 83 HA PRO 11 HA PRO 11 26.962 7.893 17.409 84 HB2 PRO 11 1HB PRO 11 28.281 10.525 17.752 85 HB3 PRO 11 2HB PRO 11 26.909 10.056 16.734 86 HG2 PRO 11 1HG PRO 11 26.589 11.484 18.956 87 HG3 PRO 11 2HG PRO 11 25.396 10.283 18.428 88 HD2 PRO 11 1HD PRO 11 27.414 10.086 20.627 89 HD3 PRO 11 2HD PRO 11 25.766 9.426 20.527 90 HA PRO 12 HA PRO 12 31.801 8.682 17.311 91 HB2 PRO 12 1HB PRO 12 32.529 7.199 19.792 92 HB3 PRO 12 2HB PRO 12 33.279 8.641 19.073 93 HG2 PRO 12 1HG PRO 12 31.771 8.839 21.236 94 HG3 PRO 12 2HG PRO 12 31.698 10.067 19.956 95 HD2 PRO 12 1HD PRO 12 29.766 7.850 20.540 96 HD3 PRO 12 2HD PRO 12 29.434 9.524 20.034 97 H THR 13 H THR 13 30.264 5.825 18.760 98 HA THR 13 HA THR 13 31.886 3.859 17.564 99 HB THR 13 HB THR 13 29.978 2.350 17.867 100 HG1 THR 13 HG1 THR 13 28.003 3.104 18.167 101 HG21 THR 13 1HG2 THR 13 29.880 2.499 20.225 102 HG22 THR 13 2HG2 THR 13 30.001 4.258 20.203 103 HG23 THR 13 3HG2 THR 13 31.410 3.273 19.810 104 H SER 14 H SER 14 29.099 5.658 16.282 105 HA SER 14 HA SER 14 28.880 4.355 13.813 106 HB2 SER 14 1HB SER 14 28.509 7.310 14.349 107 HB3 SER 14 2HB SER 14 27.837 6.395 13.003 108 HG SER 14 HG SER 14 26.903 6.693 15.501 109 H ILE 15 H ILE 15 31.086 6.943 14.863 110 HA ILE 15 HA ILE 15 32.263 7.442 12.350 111 HB ILE 15 HB ILE 15 33.654 7.524 15.041 112 HG12 ILE 15 1HG1 ILE 15 32.195 9.723 13.541 113 HG13 ILE 15 2HG1 ILE 15 31.518 8.849 14.915 114 HG21 ILE 15 1HG2 ILE 15 34.210 9.046 12.478 115 HG22 ILE 15 2HG2 ILE 15 35.116 7.625 12.998 116 HG23 ILE 15 3HG2 ILE 15 35.156 9.099 13.965 117 HD11 ILE 15 1HD1 ILE 15 33.413 9.597 16.318 118 HD12 ILE 15 2HD1 ILE 15 32.521 10.968 15.657 119 HD13 ILE 15 3HD1 ILE 15 34.065 10.496 14.947 120 H LEU 16 H LEU 16 32.891 4.888 14.730 121 HA LEU 16 HA LEU 16 35.126 3.728 13.458 122 HB2 LEU 16 1HB LEU 16 34.245 3.057 15.706 123 HB3 LEU 16 2HB LEU 16 32.934 2.211 14.883 124 HG LEU 16 HG LEU 16 34.708 0.955 13.574 125 HD11 LEU 16 1HD1 LEU 16 36.635 2.321 13.849 126 HD12 LEU 16 2HD1 LEU 16 36.948 0.890 14.832 127 HD13 LEU 16 3HD1 LEU 16 36.431 2.391 15.599 128 HD21 LEU 16 1HD2 LEU 16 33.479 0.040 15.568 129 HD22 LEU 16 2HD2 LEU 16 34.806 0.603 16.585 130 HD23 LEU 16 3HD2 LEU 16 35.094 -0.639 15.367 131 H LEU 17 H LEU 17 31.653 3.394 12.804 132 HA LEU 17 HA LEU 17 31.834 1.386 10.840 133 HB2 LEU 17 1HB LEU 17 29.691 2.305 11.781 134 HB3 LEU 17 2HB LEU 17 29.912 3.718 10.748 135 HG LEU 17 HG LEU 17 30.112 2.103 8.791 136 HD11 LEU 17 1HD1 LEU 17 30.513 0.004 9.749 137 HD12 LEU 17 2HD1 LEU 17 28.796 -0.087 9.360 138 HD13 LEU 17 3HD1 LEU 17 29.308 0.244 11.015 139 HD21 LEU 17 1HD2 LEU 17 28.091 3.308 8.909 140 HD22 LEU 17 2HD2 LEU 17 27.597 2.513 10.404 141 HD23 LEU 17 3HD2 LEU 17 27.550 1.631 8.878 142 H LEU 18 H LEU 18 32.423 4.869 10.619 143 HA LEU 18 HA LEU 18 32.614 5.050 7.810 144 HB2 LEU 18 1HB LEU 18 34.229 6.605 9.844 145 HB3 LEU 18 2HB LEU 18 33.950 7.056 8.166 146 HG LEU 18 HG LEU 18 31.766 6.711 10.241 147 HD11 LEU 18 1HD1 LEU 18 31.629 9.132 10.253 148 HD12 LEU 18 2HD1 LEU 18 32.856 9.249 8.992 149 HD13 LEU 18 3HD1 LEU 18 33.298 8.678 10.602 150 HD21 LEU 18 1HD2 LEU 18 30.801 6.297 8.117 151 HD22 LEU 18 2HD2 LEU 18 31.816 7.503 7.327 152 HD23 LEU 18 3HD2 LEU 18 30.503 8.014 8.388 153 H LEU 19 H LEU 19 35.027 4.111 10.241 154 HA LEU 19 HA LEU 19 37.186 3.747 8.455 155 HB2 LEU 19 1HB LEU 19 36.506 2.467 11.085 156 HB3 LEU 19 2HB LEU 19 37.893 1.922 10.150 157 HG LEU 19 HG LEU 19 38.625 4.357 10.042 158 HD11 LEU 19 1HD1 LEU 19 36.262 4.534 11.887 159 HD12 LEU 19 2HD1 LEU 19 36.758 5.639 10.606 160 HD13 LEU 19 3HD1 LEU 19 37.634 5.612 12.136 161 HD21 LEU 19 1HD2 LEU 19 39.429 2.516 11.674 162 HD22 LEU 19 2HD2 LEU 19 38.432 3.333 12.877 163 HD23 LEU 19 3HD2 LEU 19 39.770 4.190 12.112 164 H ALA 20 H ALA 20 34.427 1.677 9.180 165 HA ALA 20 HA ALA 20 35.285 -0.646 7.845 166 HB1 ALA 20 1HB ALA 20 33.061 -1.359 7.932 167 HB2 ALA 20 2HB ALA 20 32.428 0.275 7.736 168 HB3 ALA 20 3HB ALA 20 33.151 -0.212 9.269 169 H CYS 21 H CYS 21 33.654 2.253 6.623 170 HA CYS 21 HA CYS 21 33.350 1.425 3.946 171 HB2 CYS 21 1HB CYS 21 33.867 4.190 5.068 172 HB3 CYS 21 2HB CYS 21 33.352 3.861 3.414 173 HG CYS 21 HG CYS 21 31.598 3.418 5.949 174 H ILE 22 H ILE 22 36.090 2.934 5.621 175 HA ILE 22 HA ILE 22 37.777 3.240 3.385 176 HB ILE 22 HB ILE 22 38.612 2.588 6.218 177 HG12 ILE 22 1HG1 ILE 22 37.109 4.527 6.208 178 HG13 ILE 22 2HG1 ILE 22 38.762 5.042 6.520 179 HG21 ILE 22 1HG2 ILE 22 40.429 2.396 4.595 180 HG22 ILE 22 2HG2 ILE 22 40.657 3.840 5.581 181 HG23 ILE 22 3HG2 ILE 22 40.036 3.984 3.937 182 HD11 ILE 22 1HD1 ILE 22 38.989 5.660 4.109 183 HD12 ILE 22 2HD1 ILE 22 37.716 6.564 4.924 184 HD13 ILE 22 3HD1 ILE 22 37.298 5.219 3.867 185 H PHE 23 H PHE 23 37.126 0.406 5.426 186 HA PHE 23 HA PHE 23 39.120 -1.279 4.394 187 HB2 PHE 23 1HB PHE 23 37.599 -1.835 6.295 188 HB3 PHE 23 2HB PHE 23 36.315 -2.112 5.133 189 HD1 PHE 23 HD1 PHE 23 36.334 -4.076 3.677 190 HD2 PHE 23 HD2 PHE 23 39.475 -3.375 6.523 191 HE1 PHE 23 HE1 PHE 23 37.105 -6.417 3.402 192 HE2 PHE 23 HE2 PHE 23 40.247 -5.716 6.248 193 HZ PHE 23 HZ PHE 23 39.062 -7.236 4.686 194 H LEU 24 H LEU 24 35.909 -0.488 3.068 195 HA LEU 24 HA LEU 24 35.975 -2.186 0.844 196 HB2 LEU 24 1HB LEU 24 34.036 -0.760 1.511 197 HB3 LEU 24 2HB LEU 24 34.901 0.642 0.880 198 HG LEU 24 HG LEU 24 35.069 -0.593 -1.333 199 HD11 LEU 24 1HD1 LEU 24 34.660 -2.843 -0.863 200 HD12 LEU 24 2HD1 LEU 24 33.095 -2.324 -1.487 201 HD13 LEU 24 3HD1 LEU 24 33.345 -2.475 0.253 202 HD21 LEU 24 1HD2 LEU 24 32.681 -0.115 -1.924 203 HD22 LEU 24 2HD2 LEU 24 33.446 1.195 -1.024 204 HD23 LEU 24 3HD2 LEU 24 32.337 0.093 -0.208 205 H ILE 25 H ILE 25 37.459 1.025 1.274 206 HA ILE 25 HA ILE 25 38.552 1.246 -1.308 207 HB ILE 25 HB ILE 25 39.864 2.215 1.243 208 HG12 ILE 25 1HG1 ILE 25 37.922 3.649 -0.596 209 HG13 ILE 25 2HG1 ILE 25 37.461 2.940 0.951 210 HG21 ILE 25 1HG2 ILE 25 40.038 3.188 -1.623 211 HG22 ILE 25 2HG2 ILE 25 41.283 2.251 -0.796 212 HG23 ILE 25 3HG2 ILE 25 40.885 3.875 -0.237 213 HD11 ILE 25 1HD1 ILE 25 37.902 5.202 1.474 214 HD12 ILE 25 2HD1 ILE 25 39.327 5.253 0.435 215 HD13 ILE 25 3HD1 ILE 25 39.374 4.357 1.954 216 H ALA 26 H ALA 26 39.686 -0.614 1.480 217 HA ALA 26 HA ALA 26 42.196 -1.365 0.498 218 HB1 ALA 26 1HB ALA 26 41.077 -1.893 2.776 219 HB2 ALA 26 2HB ALA 26 42.162 -3.098 2.083 220 HB3 ALA 26 3HB ALA 26 40.416 -3.306 1.954 221 H ILE 27 H ILE 27 38.997 -2.806 -0.100 222 HA ILE 27 HA ILE 27 39.866 -4.925 -1.739 223 HB ILE 27 HB ILE 27 37.273 -3.366 -1.903 224 HG12 ILE 27 1HG1 ILE 27 37.915 -5.952 -0.456 225 HG13 ILE 27 2HG1 ILE 27 37.872 -4.379 0.335 226 HG21 ILE 27 1HG2 ILE 27 37.950 -6.179 -2.827 227 HG22 ILE 27 2HG2 ILE 27 37.753 -4.792 -3.899 228 HG23 ILE 27 3HG2 ILE 27 36.381 -5.385 -2.963 229 HD11 ILE 27 1HD1 ILE 27 35.598 -4.296 0.326 230 HD12 ILE 27 2HD1 ILE 27 35.723 -6.042 0.146 231 HD13 ILE 27 3HD1 ILE 27 35.461 -5.030 -1.271 232 H LEU 28 H LEU 28 39.232 -1.515 -2.504 233 HA LEU 28 HA LEU 28 39.607 -1.689 -5.296 234 HB2 LEU 28 1HB LEU 28 38.850 0.369 -4.062 235 HB3 LEU 28 2HB LEU 28 40.527 0.619 -3.576 236 HG LEU 28 HG LEU 28 41.108 0.453 -6.071 237 HD11 LEU 28 1HD1 LEU 28 39.172 1.170 -7.540 238 HD12 LEU 28 2HD1 LEU 28 38.101 0.800 -6.188 239 HD13 LEU 28 3HD1 LEU 28 39.063 -0.481 -6.927 240 HD21 LEU 28 1HD2 LEU 28 40.615 2.821 -6.415 241 HD22 LEU 28 2HD2 LEU 28 41.075 2.563 -4.732 242 HD23 LEU 28 3HD2 LEU 28 39.378 2.775 -5.160 243 H ALA 29 H ALA 29 41.952 -1.575 -2.659 244 HA ALA 29 HA ALA 29 44.300 -1.315 -4.185 245 HB1 ALA 29 1HB ALA 29 44.185 -3.134 -1.800 246 HB2 ALA 29 2HB ALA 29 43.938 -1.400 -1.597 247 HB3 ALA 29 3HB ALA 29 45.450 -2.001 -2.277 248 H ALA 30 H ALA 30 42.344 -4.163 -3.407 249 HA ALA 30 HA ALA 30 44.009 -6.124 -4.551 250 HB1 ALA 30 1HB ALA 30 41.832 -6.416 -3.198 251 HB2 ALA 30 2HB ALA 30 42.138 -7.552 -4.513 252 HB3 ALA 30 3HB ALA 30 41.005 -6.219 -4.744 253 H SER 31 H SER 31 41.541 -4.035 -6.030 254 HA SER 31 HA SER 31 41.696 -5.034 -8.647 255 HB2 SER 31 1HB SER 31 41.335 -2.128 -7.886 256 HB3 SER 31 2HB SER 31 40.826 -2.904 -9.381 257 HG SER 31 HG SER 31 39.097 -3.530 -8.373 258 H ALA 32 H ALA 32 43.799 -2.712 -6.972 259 HA ALA 32 HA ALA 32 45.409 -1.993 -9.160 260 HB1 ALA 32 1HB ALA 32 46.531 -2.417 -6.400 261 HB2 ALA 32 2HB ALA 32 45.416 -1.090 -6.733 262 HB3 ALA 32 3HB ALA 32 46.956 -1.184 -7.588 263 H LEU 33 H LEU 33 45.555 -4.802 -6.996 264 HA LEU 33 HA LEU 33 47.941 -5.922 -7.984 265 HB2 LEU 33 1HB LEU 33 46.703 -6.731 -5.970 266 HB3 LEU 33 2HB LEU 33 45.505 -7.449 -7.047 267 HG LEU 33 HG LEU 33 47.407 -8.699 -8.163 268 HD11 LEU 33 1HD1 LEU 33 49.316 -7.434 -7.506 269 HD12 LEU 33 2HD1 LEU 33 49.437 -8.950 -6.614 270 HD13 LEU 33 3HD1 LEU 33 48.862 -7.494 -5.802 271 HD21 LEU 33 1HD2 LEU 33 45.915 -9.791 -6.541 272 HD22 LEU 33 2HD2 LEU 33 46.908 -9.197 -5.210 273 HD23 LEU 33 3HD2 LEU 33 47.566 -10.380 -6.341 274 H TRP 34 H TRP 34 44.612 -6.111 -9.211 275 HA TRP 34 HA TRP 34 45.082 -7.900 -11.338 276 HB2 TRP 34 1HB TRP 34 42.856 -6.914 -10.608 277 HB3 TRP 34 2HB TRP 34 43.294 -5.486 -11.524 278 HD1 TRP 34 HD1 TRP 34 43.682 -9.209 -12.484 279 HE1 TRP 34 HE1 TRP 34 42.471 -9.583 -14.728 280 HE3 TRP 34 HE3 TRP 34 41.720 -4.551 -13.216 281 HZ2 TRP 34 HZ2 TRP 34 40.874 -8.103 -16.589 282 HZ3 TRP 34 HZ3 TRP 34 40.362 -4.061 -15.226 283 HH2 TRP 34 HH2 TRP 34 39.936 -5.826 -16.912 284 H ALA 35 H ALA 35 45.787 -4.460 -11.033 285 HA ALA 35 HA ALA 35 46.557 -3.941 -13.690 286 HB1 ALA 35 1HB ALA 35 47.491 -1.974 -12.890 287 HB2 ALA 35 2HB ALA 35 48.067 -2.729 -11.404 288 HB3 ALA 35 3HB ALA 35 46.353 -2.360 -11.598 289 H ALA 36 H ALA 36 48.400 -5.254 -10.961 290 HA ALA 36 HA ALA 36 50.860 -5.560 -12.296 291 HB1 ALA 36 1HB ALA 36 49.606 -6.672 -9.872 292 HB2 ALA 36 2HB ALA 36 51.224 -6.023 -10.116 293 HB3 ALA 36 3HB ALA 36 50.865 -7.684 -10.579 294 H ALA 37 H ALA 37 47.999 -7.646 -12.255 295 HA ALA 37 HA ALA 37 49.048 -9.846 -13.621 296 HB1 ALA 37 1HB ALA 37 46.738 -9.572 -12.559 297 HB2 ALA 37 2HB ALA 37 46.819 -10.479 -14.069 298 HB3 ALA 37 3HB ALA 37 46.259 -8.806 -14.074 299 H TRP 38 H TRP 38 47.852 -6.777 -14.895 300 HA TRP 38 HA TRP 38 47.788 -7.373 -17.603 301 HB2 TRP 38 1HB TRP 38 48.617 -4.808 -16.261 302 HB3 TRP 38 2HB TRP 38 48.312 -4.964 -17.974 303 HD1 TRP 38 HD1 TRP 38 45.689 -7.007 -17.138 304 HE1 TRP 38 HE1 TRP 38 43.505 -5.769 -16.562 305 HE3 TRP 38 HE3 TRP 38 47.546 -2.351 -16.171 306 HZ2 TRP 38 HZ2 TRP 38 42.654 -3.143 -15.790 307 HZ3 TRP 38 HZ3 TRP 38 46.034 -0.504 -15.520 308 HH2 TRP 38 HH2 TRP 38 43.594 -0.890 -15.328 309 H HIS 39 H HIS 39 50.604 -7.065 -15.581 310 HA HIS 39 HA HIS 39 52.507 -6.198 -17.425 311 HB2 HIS 39 1HB HIS 39 52.794 -8.097 -15.100 312 HB3 HIS 39 2HB HIS 39 54.143 -7.400 -15.977 313 HD1 HIS 39 HD1 HIS 39 53.903 -6.829 -13.003 314 HD2 HIS 39 HD2 HIS 39 52.181 -4.388 -15.911 315 HE1 HIS 39 HE1 HIS 39 53.590 -4.556 -11.934 316 H GLY 40 H GLY 40 51.002 -9.357 -17.141 317 HA2 GLY 40 1HA GLY 40 52.941 -10.950 -18.383 318 HA3 GLY 40 2HA GLY 40 51.210 -11.260 -18.422 319 H GLN 41 H GLN 41 50.575 -8.753 -19.788 320 HA GLN 41 HA GLN 41 50.676 -9.543 -22.463 321 HB2 GLN 41 1HB GLN 41 50.364 -6.773 -21.285 322 HB3 GLN 41 2HB GLN 41 50.032 -7.196 -22.965 323 HG2 GLN 41 1HG GLN 41 48.320 -8.792 -22.262 324 HG3 GLN 41 2HG GLN 41 48.687 -8.475 -20.569 325 HE21 GLN 41 1HE2 GLN 41 46.066 -8.044 -21.661 326 HE22 GLN 41 2HE2 GLN 41 45.746 -6.377 -21.622 327 H LYS 42 H LYS 42 51.987 -9.040 -24.185 328 HA LYS 42 HA LYS 42 54.706 -8.528 -23.862 329 HB2 LYS 42 1HB LYS 42 53.362 -9.396 -25.912 330 HB3 LYS 42 2HB LYS 42 53.196 -7.691 -26.329 331 HG2 LYS 42 1HG LYS 42 55.532 -7.402 -26.564 332 HG3 LYS 42 2HG LYS 42 55.888 -8.905 -25.712 333 HD2 LYS 42 1HD LYS 42 54.946 -10.211 -27.550 334 HD3 LYS 42 2HD LYS 42 54.479 -8.732 -28.391 335 HE2 LYS 42 1HE LYS 42 56.567 -9.560 -29.340 336 HE3 LYS 42 2HE LYS 42 56.883 -8.062 -28.465 337 HZ1 LYS 42 1HZ LYS 42 57.136 -10.663 -27.104 338 HZ2 LYS 42 2HZ LYS 42 57.877 -9.181 -26.730 339 HZ3 LYS 42 3HZ LYS 42 58.404 -10.081 -28.070 340 HA PRO 43 HA PRO 43 54.855 -4.167 -22.922 341 HB2 PRO 43 1HB PRO 43 57.142 -3.956 -24.822 342 HB3 PRO 43 2HB PRO 43 57.042 -3.471 -23.117 343 HG2 PRO 43 1HG PRO 43 58.384 -5.636 -23.838 344 HG3 PRO 43 2HG PRO 43 57.425 -5.604 -22.345 345 HD2 PRO 43 1HD PRO 43 56.789 -6.912 -24.958 346 HD3 PRO 43 2HD PRO 43 56.432 -7.466 -23.306 347 H GLY 44 H GLY 44 54.108 -2.232 -23.775 348 HA2 GLY 44 1HA GLY 44 52.509 -2.304 -26.059 349 HA3 GLY 44 2HA GLY 44 53.040 -0.834 -25.254 350 H THR 45 H THR 45 55.928 -1.560 -25.785 351 HA THR 45 HA THR 45 56.322 -0.076 -28.120 352 HB THR 45 HB THR 45 58.192 -2.160 -26.969 353 HG1 THR 45 HG1 THR 45 59.010 -0.096 -25.986 354 HG21 THR 45 1HG2 THR 45 58.682 0.348 -28.603 355 HG22 THR 45 2HG2 THR 45 58.820 -1.308 -29.196 356 HG23 THR 45 3HG2 THR 45 59.931 -0.719 -27.959 357 H HIS 46 H HIS 46 56.733 -0.616 -30.249 358 HA HIS 46 HA HIS 46 55.533 -3.086 -31.161 359 HB2 HIS 46 1HB HIS 46 55.221 -0.891 -32.311 360 HB3 HIS 46 2HB HIS 46 56.916 -0.926 -32.755 361 HD1 HIS 46 HD1 HIS 46 53.843 -3.155 -33.172 362 HD2 HIS 46 HD2 HIS 46 57.310 -2.083 -35.224 363 HE1 HIS 46 HE1 HIS 46 53.727 -4.306 -35.424 Start of MODEL 3 1 H ARG 1 3H ARG 1 35.529 18.939 6.787 2 HA ARG 1 HA ARG 1 33.636 20.269 6.672 3 HB2 ARG 1 1HB ARG 1 33.073 17.953 8.549 4 HB3 ARG 1 2HB ARG 1 31.855 18.808 7.601 5 HG2 ARG 1 1HG ARG 1 33.084 18.186 5.524 6 HG3 ARG 1 2HG ARG 1 34.212 17.247 6.504 7 HD2 ARG 1 1HD ARG 1 32.236 15.947 7.380 8 HD3 ARG 1 2HD ARG 1 31.236 16.782 6.195 9 HE ARG 1 HE ARG 1 33.171 15.778 4.634 10 HH11 ARG 1 1HH1 ARG 1 31.296 14.227 7.164 11 HH12 ARG 1 2HH1 ARG 1 31.407 12.664 6.425 12 HH21 ARG 1 1HH2 ARG 1 33.280 13.743 3.730 13 HH22 ARG 1 2HH2 ARG 1 32.517 12.395 4.506 14 H SER 2 H SER 2 33.044 22.163 7.509 15 HA SER 2 HA SER 2 33.623 23.052 10.094 16 HB2 SER 2 1HB SER 2 32.332 24.980 9.573 17 HB3 SER 2 2HB SER 2 33.027 24.444 8.046 18 HG SER 2 HG SER 2 30.611 24.927 8.294 19 H LEU 3 H LEU 3 32.399 23.306 11.950 20 HA LEU 3 HA LEU 3 30.653 21.247 12.679 21 HB2 LEU 3 1HB LEU 3 31.160 23.968 13.868 22 HB3 LEU 3 2HB LEU 3 30.050 22.810 14.602 23 HG LEU 3 HG LEU 3 32.078 21.146 14.333 24 HD11 LEU 3 1HD1 LEU 3 33.308 23.884 14.082 25 HD12 LEU 3 2HD1 LEU 3 33.665 22.424 13.160 26 HD13 LEU 3 3HD1 LEU 3 34.207 22.566 14.833 27 HD21 LEU 3 1HD2 LEU 3 32.927 21.933 16.583 28 HD22 LEU 3 2HD2 LEU 3 31.178 21.728 16.499 29 HD23 LEU 3 3HD2 LEU 3 31.881 23.343 16.413 30 H LEU 4 H LEU 4 29.956 24.198 10.978 31 HA LEU 4 HA LEU 4 27.289 24.640 11.718 32 HB2 LEU 4 1HB LEU 4 28.784 26.143 10.359 33 HB3 LEU 4 2HB LEU 4 28.460 25.107 8.974 34 HG LEU 4 HG LEU 4 26.061 26.054 10.486 35 HD11 LEU 4 1HD1 LEU 4 27.456 27.931 8.574 36 HD12 LEU 4 2HD1 LEU 4 27.647 28.049 10.323 37 HD13 LEU 4 3HD1 LEU 4 26.055 28.258 9.595 38 HD21 LEU 4 1HD2 LEU 4 26.258 24.664 8.246 39 HD22 LEU 4 2HD2 LEU 4 26.491 26.250 7.517 40 HD23 LEU 4 3HD2 LEU 4 25.013 25.900 8.412 41 H GLU 5 H GLU 5 28.661 22.163 9.686 42 HA GLU 5 HA GLU 5 26.321 21.618 8.145 43 HB2 GLU 5 1HB GLU 5 28.648 20.952 7.521 44 HB3 GLU 5 2HB GLU 5 28.586 19.725 8.786 45 HG2 GLU 5 1HG GLU 5 26.570 18.750 7.702 46 HG3 GLU 5 2HG GLU 5 26.714 19.936 6.412 47 H GLY 6 H GLY 6 27.326 20.614 11.353 48 HA2 GLY 6 1HA GLY 6 26.073 19.666 13.027 49 HA3 GLY 6 2HA GLY 6 24.668 19.859 11.991 50 H GLU 7 H GLU 7 27.378 17.991 10.813 51 HA GLU 7 HA GLU 7 25.986 15.570 10.555 52 HB2 GLU 7 1HB GLU 7 28.951 16.082 10.809 53 HB3 GLU 7 2HB GLU 7 28.241 14.541 10.328 54 HG2 GLU 7 1HG GLU 7 27.096 15.691 8.443 55 HG3 GLU 7 2HG GLU 7 27.897 17.190 8.896 56 H ILE 8 H ILE 8 27.366 16.976 13.392 57 HA ILE 8 HA ILE 8 28.464 14.745 14.646 58 HB ILE 8 HB ILE 8 27.324 17.213 15.957 59 HG12 ILE 8 1HG1 ILE 8 30.171 16.639 15.093 60 HG13 ILE 8 2HG1 ILE 8 29.047 17.589 14.125 61 HG21 ILE 8 1HG2 ILE 8 28.934 16.724 17.747 62 HG22 ILE 8 2HG2 ILE 8 29.459 15.270 16.899 63 HG23 ILE 8 3HG2 ILE 8 27.824 15.367 17.550 64 HD11 ILE 8 1HD1 ILE 8 29.905 18.218 16.964 65 HD12 ILE 8 2HD1 ILE 8 28.752 19.157 16.015 66 HD13 ILE 8 3HD1 ILE 8 30.439 19.064 15.511 67 HA PRO 9 HA PRO 9 24.270 14.337 17.162 68 HB2 PRO 9 1HB PRO 9 22.492 13.847 14.816 69 HB3 PRO 9 2HB PRO 9 22.126 14.618 16.373 70 HG2 PRO 9 1HG PRO 9 22.425 16.072 14.189 71 HG3 PRO 9 2HG PRO 9 23.060 16.631 15.749 72 HD2 PRO 9 1HD PRO 9 24.542 15.453 13.431 73 HD3 PRO 9 2HD PRO 9 25.036 16.754 14.536 74 H PHE 10 H PHE 10 25.198 12.703 14.188 75 HA PHE 10 HA PHE 10 24.141 10.170 14.663 76 HB2 PHE 10 1HB PHE 10 26.644 11.089 13.279 77 HB3 PHE 10 2HB PHE 10 26.240 9.386 13.391 78 HD1 PHE 10 HD1 PHE 10 23.808 8.744 12.590 79 HD2 PHE 10 HD2 PHE 10 25.872 12.347 11.486 80 HE1 PHE 10 HE1 PHE 10 22.337 8.979 10.606 81 HE2 PHE 10 HE2 PHE 10 24.401 12.582 9.503 82 HZ PHE 10 HZ PHE 10 22.634 10.899 9.063 83 HA PRO 11 HA PRO 11 26.360 8.843 18.310 84 HB2 PRO 11 1HB PRO 11 26.511 6.116 17.136 85 HB3 PRO 11 2HB PRO 11 25.817 6.647 18.679 86 HG2 PRO 11 1HG PRO 11 24.282 5.935 16.624 87 HG3 PRO 11 2HG PRO 11 23.817 7.236 17.736 88 HD2 PRO 11 1HD PRO 11 24.896 7.444 14.951 89 HD3 PRO 11 2HD PRO 11 23.688 8.455 15.776 90 HA PRO 12 HA PRO 12 30.658 8.913 16.909 91 HB2 PRO 12 1HB PRO 12 31.863 7.730 19.127 92 HB3 PRO 12 2HB PRO 12 31.496 9.457 18.962 93 HG2 PRO 12 1HG PRO 12 30.010 7.342 20.414 94 HG3 PRO 12 2HG PRO 12 30.258 9.047 20.832 95 HD2 PRO 12 1HD PRO 12 27.909 8.153 19.822 96 HD3 PRO 12 2HD PRO 12 28.527 9.783 19.469 97 H THR 13 H THR 13 29.215 5.986 18.309 98 HA THR 13 HA THR 13 31.040 4.098 17.308 99 HB THR 13 HB THR 13 28.049 3.732 17.577 100 HG1 THR 13 HG1 THR 13 28.385 3.485 19.676 101 HG21 THR 13 1HG2 THR 13 29.182 1.903 16.420 102 HG22 THR 13 2HG2 THR 13 28.731 1.384 18.045 103 HG23 THR 13 3HG2 THR 13 30.402 1.825 17.692 104 H SER 14 H SER 14 28.297 5.736 15.731 105 HA SER 14 HA SER 14 28.319 4.234 13.345 106 HB2 SER 14 1HB SER 14 27.043 5.974 12.383 107 HB3 SER 14 2HB SER 14 26.617 5.997 14.090 108 HG SER 14 HG SER 14 28.317 7.719 12.631 109 H ILE 15 H ILE 15 30.243 7.037 14.377 110 HA ILE 15 HA ILE 15 31.599 7.471 11.945 111 HB ILE 15 HB ILE 15 32.709 7.804 14.746 112 HG12 ILE 15 1HG1 ILE 15 31.289 9.812 12.967 113 HG13 ILE 15 2HG1 ILE 15 30.522 8.972 14.315 114 HG21 ILE 15 1HG2 ILE 15 34.211 9.423 13.724 115 HG22 ILE 15 2HG2 ILE 15 33.441 9.198 12.153 116 HG23 ILE 15 3HG2 ILE 15 34.376 7.887 12.872 117 HD11 ILE 15 1HD1 ILE 15 32.438 9.886 15.763 118 HD12 ILE 15 2HD1 ILE 15 31.229 11.050 15.220 119 HD13 ILE 15 3HD1 ILE 15 32.793 10.959 14.410 120 H LEU 16 H LEU 16 32.189 5.117 14.538 121 HA LEU 16 HA LEU 16 34.616 4.078 13.543 122 HB2 LEU 16 1HB LEU 16 32.433 2.496 14.915 123 HB3 LEU 16 2HB LEU 16 34.132 2.060 14.790 124 HG LEU 16 HG LEU 16 33.095 4.545 16.180 125 HD11 LEU 16 1HD1 LEU 16 34.153 1.934 17.311 126 HD12 LEU 16 2HD1 LEU 16 32.478 2.483 17.384 127 HD13 LEU 16 3HD1 LEU 16 33.732 3.363 18.257 128 HD21 LEU 16 1HD2 LEU 16 35.823 3.369 15.684 129 HD22 LEU 16 2HD2 LEU 16 35.532 4.338 17.129 130 HD23 LEU 16 3HD2 LEU 16 35.294 5.044 15.531 131 H LEU 17 H LEU 17 31.258 3.410 12.619 132 HA LEU 17 HA LEU 17 31.765 1.297 10.833 133 HB2 LEU 17 1HB LEU 17 29.486 2.105 11.515 134 HB3 LEU 17 2HB LEU 17 29.701 3.463 10.408 135 HG LEU 17 HG LEU 17 30.180 1.757 8.587 136 HD11 LEU 17 1HD1 LEU 17 30.695 -0.209 9.818 137 HD12 LEU 17 2HD1 LEU 17 29.101 -0.517 9.130 138 HD13 LEU 17 3HD1 LEU 17 29.255 -0.052 10.824 139 HD21 LEU 17 1HD2 LEU 17 27.685 1.086 8.469 140 HD22 LEU 17 2HD2 LEU 17 28.056 2.809 8.519 141 HD23 LEU 17 3HD2 LEU 17 27.507 1.984 9.977 142 H LEU 18 H LEU 18 32.103 4.795 10.402 143 HA LEU 18 HA LEU 18 32.616 4.795 7.631 144 HB2 LEU 18 1HB LEU 18 33.914 6.602 9.681 145 HB3 LEU 18 2HB LEU 18 33.750 6.912 7.958 146 HG LEU 18 HG LEU 18 31.418 6.540 9.859 147 HD11 LEU 18 1HD1 LEU 18 32.462 9.073 8.559 148 HD12 LEU 18 2HD1 LEU 18 32.750 8.631 10.243 149 HD13 LEU 18 3HD1 LEU 18 31.107 8.944 9.681 150 HD21 LEU 18 1HD2 LEU 18 30.276 7.667 7.797 151 HD22 LEU 18 2HD2 LEU 18 30.650 5.945 7.714 152 HD23 LEU 18 3HD2 LEU 18 31.698 7.114 6.912 153 H LEU 19 H LEU 19 34.757 4.122 10.376 154 HA LEU 19 HA LEU 19 37.159 3.833 8.922 155 HB2 LEU 19 1HB LEU 19 36.311 2.155 11.294 156 HB3 LEU 19 2HB LEU 19 37.953 2.422 10.725 157 HG LEU 19 HG LEU 19 36.106 4.621 11.695 158 HD11 LEU 19 1HD1 LEU 19 38.384 3.146 13.044 159 HD12 LEU 19 2HD1 LEU 19 36.703 3.215 13.570 160 HD13 LEU 19 3HD1 LEU 19 37.710 4.661 13.644 161 HD21 LEU 19 1HD2 LEU 19 37.652 5.647 10.259 162 HD22 LEU 19 2HD2 LEU 19 38.931 4.501 10.661 163 HD23 LEU 19 3HD2 LEU 19 38.471 5.751 11.817 164 H ALA 20 H ALA 20 34.454 1.607 9.366 165 HA ALA 20 HA ALA 20 35.560 -0.658 8.113 166 HB1 ALA 20 1HB ALA 20 33.390 -1.488 7.988 167 HB2 ALA 20 2HB ALA 20 32.690 0.105 7.697 168 HB3 ALA 20 3HB ALA 20 33.264 -0.324 9.308 169 H CYS 21 H CYS 21 33.983 2.203 6.750 170 HA CYS 21 HA CYS 21 33.923 1.372 4.061 171 HB2 CYS 21 1HB CYS 21 33.047 3.567 5.316 172 HB3 CYS 21 2HB CYS 21 34.537 4.230 4.649 173 HG CYS 21 HG CYS 21 33.683 3.790 2.273 174 H ILE 22 H ILE 22 36.507 2.880 5.971 175 HA ILE 22 HA ILE 22 38.310 3.347 3.853 176 HB ILE 22 HB ILE 22 39.021 2.557 6.687 177 HG12 ILE 22 1HG1 ILE 22 37.452 4.441 6.717 178 HG13 ILE 22 2HG1 ILE 22 39.067 4.992 7.144 179 HG21 ILE 22 1HG2 ILE 22 40.987 2.522 5.364 180 HG22 ILE 22 2HG2 ILE 22 40.992 4.107 6.135 181 HG23 ILE 22 3HG2 ILE 22 40.496 3.948 4.450 182 HD11 ILE 22 1HD1 ILE 22 38.039 6.571 5.587 183 HD12 ILE 22 2HD1 ILE 22 37.737 5.278 4.431 184 HD13 ILE 22 3HD1 ILE 22 39.391 5.767 4.794 185 H PHE 23 H PHE 23 37.722 0.430 5.800 186 HA PHE 23 HA PHE 23 39.771 -1.148 4.698 187 HB2 PHE 23 1HB PHE 23 37.061 -1.891 5.766 188 HB3 PHE 23 2HB PHE 23 38.198 -3.091 5.183 189 HD1 PHE 23 HD1 PHE 23 40.251 -3.582 6.407 190 HD2 PHE 23 HD2 PHE 23 37.477 -0.622 7.812 191 HE1 PHE 23 HE1 PHE 23 41.380 -3.572 8.616 192 HE2 PHE 23 HE2 PHE 23 38.601 -0.614 10.022 193 HZ PHE 23 HZ PHE 23 40.555 -2.089 10.423 194 H LEU 24 H LEU 24 36.533 -0.425 3.418 195 HA LEU 24 HA LEU 24 36.624 -2.141 1.203 196 HB2 LEU 24 1HB LEU 24 35.433 0.641 1.234 197 HB3 LEU 24 2HB LEU 24 35.032 -0.663 0.124 198 HG LEU 24 HG LEU 24 34.647 -0.790 3.129 199 HD11 LEU 24 1HD1 LEU 24 33.157 0.827 1.843 200 HD12 LEU 24 2HD1 LEU 24 32.313 -0.451 2.718 201 HD13 LEU 24 3HD1 LEU 24 32.536 -0.575 0.973 202 HD21 LEU 24 1HD2 LEU 24 34.041 -2.665 0.836 203 HD22 LEU 24 2HD2 LEU 24 33.186 -2.776 2.374 204 HD23 LEU 24 3HD2 LEU 24 34.933 -3.008 2.317 205 H ILE 25 H ILE 25 38.084 1.077 1.627 206 HA ILE 25 HA ILE 25 39.107 1.373 -0.969 207 HB ILE 25 HB ILE 25 40.545 2.178 1.565 208 HG12 ILE 25 1HG1 ILE 25 38.237 3.018 1.634 209 HG13 ILE 25 2HG1 ILE 25 39.357 4.339 1.327 210 HG21 ILE 25 1HG2 ILE 25 40.642 3.119 -1.305 211 HG22 ILE 25 2HG2 ILE 25 41.957 2.439 -0.346 212 HG23 ILE 25 3HG2 ILE 25 41.325 4.041 0.034 213 HD11 ILE 25 1HD1 ILE 25 38.845 4.185 -1.103 214 HD12 ILE 25 2HD1 ILE 25 37.407 4.527 -0.145 215 HD13 ILE 25 3HD1 ILE 25 37.686 2.900 -0.758 216 H ALA 26 H ALA 26 40.358 -0.537 1.748 217 HA ALA 26 HA ALA 26 42.768 -1.359 0.578 218 HB1 ALA 26 1HB ALA 26 42.862 -2.984 2.221 219 HB2 ALA 26 2HB ALA 26 41.136 -3.336 2.121 220 HB3 ALA 26 3HB ALA 26 41.693 -1.874 2.935 221 H ILE 27 H ILE 27 39.486 -2.674 0.195 222 HA ILE 27 HA ILE 27 40.145 -4.854 -1.458 223 HB ILE 27 HB ILE 27 37.659 -3.134 -1.609 224 HG12 ILE 27 1HG1 ILE 27 38.009 -3.903 0.684 225 HG13 ILE 27 2HG1 ILE 27 36.683 -4.796 -0.048 226 HG21 ILE 27 1HG2 ILE 27 36.671 -5.399 -2.303 227 HG22 ILE 27 2HG2 ILE 27 38.337 -5.917 -2.562 228 HG23 ILE 27 3HG2 ILE 27 37.677 -4.574 -3.493 229 HD11 ILE 27 1HD1 ILE 27 37.752 -6.665 0.635 230 HD12 ILE 27 2HD1 ILE 27 39.227 -5.775 0.997 231 HD13 ILE 27 3HD1 ILE 27 38.931 -6.359 -0.638 232 H LEU 28 H LEU 28 39.660 -1.428 -2.237 233 HA LEU 28 HA LEU 28 39.815 -1.644 -5.042 234 HB2 LEU 28 1HB LEU 28 39.235 0.448 -3.800 235 HB3 LEU 28 2HB LEU 28 40.940 0.620 -3.384 236 HG LEU 28 HG LEU 28 41.450 0.501 -5.867 237 HD11 LEU 28 1HD1 LEU 28 39.393 1.242 -7.258 238 HD12 LEU 28 2HD1 LEU 28 38.435 0.621 -5.914 239 HD13 LEU 28 3HD1 LEU 28 39.506 -0.459 -6.806 240 HD21 LEU 28 1HD2 LEU 28 39.862 2.723 -4.591 241 HD22 LEU 28 2HD2 LEU 28 40.455 2.879 -6.244 242 HD23 LEU 28 3HD2 LEU 28 41.594 2.653 -4.917 243 H ALA 29 H ALA 29 42.359 -1.598 -2.589 244 HA ALA 29 HA ALA 29 44.580 -1.434 -4.310 245 HB1 ALA 29 1HB ALA 29 44.440 -1.455 -1.696 246 HB2 ALA 29 2HB ALA 29 45.876 -2.094 -2.497 247 HB3 ALA 29 3HB ALA 29 44.642 -3.196 -1.885 248 H ALA 30 H ALA 30 42.638 -4.218 -3.296 249 HA ALA 30 HA ALA 30 44.173 -6.234 -4.529 250 HB1 ALA 30 1HB ALA 30 41.167 -6.322 -4.489 251 HB2 ALA 30 2HB ALA 30 42.093 -6.440 -2.993 252 HB3 ALA 30 3HB ALA 30 42.317 -7.639 -4.266 253 H SER 31 H SER 31 41.610 -4.150 -5.837 254 HA SER 31 HA SER 31 41.522 -5.214 -8.431 255 HB2 SER 31 1HB SER 31 39.966 -3.473 -7.520 256 HB3 SER 31 2HB SER 31 41.256 -2.290 -7.711 257 HG SER 31 HG SER 31 40.563 -2.157 -9.693 258 H ALA 32 H ALA 32 43.772 -2.873 -7.000 259 HA ALA 32 HA ALA 32 45.171 -2.194 -9.337 260 HB1 ALA 32 1HB ALA 32 46.851 -1.348 -7.935 261 HB2 ALA 32 2HB ALA 32 46.543 -2.553 -6.685 262 HB3 ALA 32 3HB ALA 32 45.397 -1.237 -6.943 263 H LEU 33 H LEU 33 45.496 -4.981 -7.165 264 HA LEU 33 HA LEU 33 47.869 -6.041 -8.252 265 HB2 LEU 33 1HB LEU 33 46.322 -6.776 -6.209 266 HB3 LEU 33 2HB LEU 33 45.668 -7.884 -7.405 267 HG LEU 33 HG LEU 33 47.429 -9.002 -6.182 268 HD11 LEU 33 1HD1 LEU 33 47.262 -9.235 -8.749 269 HD12 LEU 33 2HD1 LEU 33 48.730 -9.819 -7.963 270 HD13 LEU 33 3HD1 LEU 33 48.733 -8.263 -8.795 271 HD21 LEU 33 1HD2 LEU 33 49.479 -7.031 -7.139 272 HD22 LEU 33 2HD2 LEU 33 49.544 -8.131 -5.761 273 HD23 LEU 33 3HD2 LEU 33 48.548 -6.678 -5.683 274 H TRP 34 H TRP 34 44.478 -6.407 -9.274 275 HA TRP 34 HA TRP 34 44.950 -8.181 -11.420 276 HB2 TRP 34 1HB TRP 34 42.896 -5.986 -11.181 277 HB3 TRP 34 2HB TRP 34 42.918 -7.179 -12.462 278 HD1 TRP 34 HD1 TRP 34 40.946 -6.576 -9.691 279 HE1 TRP 34 HE1 TRP 34 40.128 -8.703 -8.491 280 HE3 TRP 34 HE3 TRP 34 44.245 -9.985 -11.589 281 HZ2 TRP 34 HZ2 TRP 34 40.785 -11.487 -8.353 282 HZ3 TRP 34 HZ3 TRP 34 44.126 -12.359 -10.908 283 HH2 TRP 34 HH2 TRP 34 42.404 -13.118 -9.295 284 H ALA 35 H ALA 35 45.369 -4.687 -11.191 285 HA ALA 35 HA ALA 35 46.021 -4.176 -13.882 286 HB1 ALA 35 1HB ALA 35 46.825 -2.130 -13.161 287 HB2 ALA 35 2HB ALA 35 47.505 -2.800 -11.678 288 HB3 ALA 35 3HB ALA 35 45.764 -2.565 -11.821 289 H ALA 36 H ALA 36 47.995 -5.403 -11.218 290 HA ALA 36 HA ALA 36 50.478 -5.440 -12.521 291 HB1 ALA 36 1HB ALA 36 49.698 -7.691 -10.710 292 HB2 ALA 36 2HB ALA 36 49.787 -6.054 -10.059 293 HB3 ALA 36 3HB ALA 36 51.213 -6.791 -10.791 294 H ALA 37 H ALA 37 47.821 -7.796 -12.608 295 HA ALA 37 HA ALA 37 49.117 -9.770 -14.126 296 HB1 ALA 37 1HB ALA 37 46.953 -10.165 -13.082 297 HB2 ALA 37 2HB ALA 37 46.847 -10.470 -14.815 298 HB3 ALA 37 3HB ALA 37 46.198 -8.975 -14.142 299 H TRP 38 H TRP 38 47.336 -6.886 -15.188 300 HA TRP 38 HA TRP 38 47.532 -7.269 -17.941 301 HB2 TRP 38 1HB TRP 38 47.411 -4.794 -16.263 302 HB3 TRP 38 2HB TRP 38 47.596 -4.689 -18.001 303 HD1 TRP 38 HD1 TRP 38 45.026 -4.596 -15.501 304 HE1 TRP 38 HE1 TRP 38 42.717 -5.208 -16.465 305 HE3 TRP 38 HE3 TRP 38 46.450 -6.707 -19.928 306 HZ2 TRP 38 HZ2 TRP 38 41.614 -6.434 -18.807 307 HZ3 TRP 38 HZ3 TRP 38 44.754 -7.587 -21.502 308 HH2 TRP 38 HH2 TRP 38 42.342 -7.454 -20.950 309 H HIS 39 H HIS 39 50.085 -6.500 -15.724 310 HA HIS 39 HA HIS 39 51.715 -4.889 -17.315 311 HB2 HIS 39 1HB HIS 39 51.867 -5.821 -14.801 312 HB3 HIS 39 2HB HIS 39 53.050 -6.872 -15.554 313 HD1 HIS 39 HD1 HIS 39 52.516 -3.473 -14.272 314 HD2 HIS 39 HD2 HIS 39 55.297 -5.373 -16.728 315 HE1 HIS 39 HE1 HIS 39 54.518 -1.933 -14.409 316 H GLY 40 H GLY 40 53.317 -5.254 -18.789 317 HA2 GLY 40 1HA GLY 40 53.223 -7.489 -20.485 318 HA3 GLY 40 2HA GLY 40 54.548 -6.330 -20.408 319 H GLN 41 H GLN 41 54.493 -9.342 -20.654 320 HA GLN 41 HA GLN 41 55.357 -10.580 -18.300 321 HB2 GLN 41 1HB GLN 41 56.123 -11.138 -21.171 322 HB3 GLN 41 2HB GLN 41 56.475 -12.213 -19.819 323 HG2 GLN 41 1HG GLN 41 54.090 -12.432 -19.328 324 HG3 GLN 41 2HG GLN 41 53.699 -11.288 -20.610 325 HE21 GLN 41 1HE2 GLN 41 52.665 -13.962 -20.615 326 HE22 GLN 41 2HE2 GLN 41 53.350 -14.793 -21.927 327 H LYS 42 H LYS 42 57.120 -8.458 -20.489 328 HA LYS 42 HA LYS 42 59.736 -9.117 -19.811 329 HB2 LYS 42 1HB LYS 42 58.620 -6.368 -20.412 330 HB3 LYS 42 2HB LYS 42 60.320 -6.829 -20.499 331 HG2 LYS 42 1HG LYS 42 59.628 -8.621 -22.168 332 HG3 LYS 42 2HG LYS 42 58.044 -7.846 -22.215 333 HD2 LYS 42 1HD LYS 42 60.588 -6.292 -22.696 334 HD3 LYS 42 2HD LYS 42 59.737 -7.112 -24.005 335 HE2 LYS 42 1HE LYS 42 58.274 -5.241 -22.149 336 HE3 LYS 42 2HE LYS 42 59.147 -4.628 -23.553 337 HZ1 LYS 42 1HZ LYS 42 57.563 -5.347 -24.907 338 HZ2 LYS 42 2HZ LYS 42 56.608 -5.647 -23.534 339 HZ3 LYS 42 3HZ LYS 42 57.547 -6.893 -24.207 340 HA PRO 43 HA PRO 43 59.993 -7.718 -15.509 341 HB2 PRO 43 1HB PRO 43 62.775 -6.876 -16.108 342 HB3 PRO 43 2HB PRO 43 62.171 -7.995 -14.872 343 HG2 PRO 43 1HG PRO 43 63.471 -8.860 -17.029 344 HG3 PRO 43 2HG PRO 43 62.135 -9.779 -16.307 345 HD2 PRO 43 1HD PRO 43 62.130 -8.087 -18.783 346 HD3 PRO 43 2HD PRO 43 61.286 -9.620 -18.461 347 H GLY 44 H GLY 44 60.871 -5.730 -18.240 348 HA2 GLY 44 1HA GLY 44 61.447 -3.295 -16.996 349 HA3 GLY 44 2HA GLY 44 60.811 -3.471 -18.627 350 H THR 45 H THR 45 60.251 -1.559 -16.356 351 HA THR 45 HA THR 45 57.637 -1.857 -15.404 352 HB THR 45 HB THR 45 57.631 0.585 -15.165 353 HG1 THR 45 HG1 THR 45 60.129 0.618 -16.457 354 HG21 THR 45 1HG2 THR 45 59.097 -1.033 -13.744 355 HG22 THR 45 2HG2 THR 45 59.393 0.701 -13.622 356 HG23 THR 45 3HG2 THR 45 60.451 -0.306 -14.611 357 H HIS 46 H HIS 46 55.632 -1.184 -16.183 358 HA HIS 46 HA HIS 46 55.199 0.105 -18.656 359 HB2 HIS 46 1HB HIS 46 56.133 -2.286 -19.244 360 HB3 HIS 46 2HB HIS 46 54.495 -2.790 -18.875 361 HD1 HIS 46 HD1 HIS 46 52.657 -2.184 -20.561 362 HD2 HIS 46 HD2 HIS 46 56.390 -0.632 -21.576 363 HE1 HIS 46 HE1 HIS 46 52.452 -1.320 -22.931 Start of MODEL 4 1 H ARG 1 3H ARG 1 35.171 25.918 19.058 2 HA ARG 1 HA ARG 1 33.001 27.047 19.427 3 HB2 ARG 1 1HB ARG 1 34.287 27.123 17.272 4 HB3 ARG 1 2HB ARG 1 33.346 25.740 16.712 5 HG2 ARG 1 1HG ARG 1 31.262 27.046 17.040 6 HG3 ARG 1 2HG ARG 1 32.228 28.437 17.534 7 HD2 ARG 1 1HD ARG 1 33.390 28.354 15.323 8 HD3 ARG 1 2HD ARG 1 32.300 27.059 14.836 9 HE ARG 1 HE ARG 1 30.685 28.657 14.455 10 HH11 ARG 1 1HH1 ARG 1 33.068 30.054 16.622 11 HH12 ARG 1 2HH1 ARG 1 32.324 31.618 16.593 12 HH21 ARG 1 1HH2 ARG 1 29.773 30.693 14.456 13 HH22 ARG 1 2HH2 ARG 1 30.482 31.974 15.381 14 H SER 2 H SER 2 32.606 24.027 17.554 15 HA SER 2 HA SER 2 29.837 23.800 17.852 16 HB2 SER 2 1HB SER 2 31.219 22.488 16.255 17 HB3 SER 2 2HB SER 2 31.828 21.538 17.607 18 HG SER 2 HG SER 2 30.063 20.415 17.452 19 H LEU 3 H LEU 3 32.374 23.037 20.135 20 HA LEU 3 HA LEU 3 31.098 21.147 21.745 21 HB2 LEU 3 1HB LEU 3 33.492 21.958 21.855 22 HB3 LEU 3 2HB LEU 3 32.898 23.339 22.769 23 HG LEU 3 HG LEU 3 31.995 20.651 23.716 24 HD11 LEU 3 1HD1 LEU 3 34.027 20.051 24.770 25 HD12 LEU 3 2HD1 LEU 3 34.766 21.615 24.424 26 HD13 LEU 3 3HD1 LEU 3 34.488 20.463 23.118 27 HD21 LEU 3 1HD2 LEU 3 31.942 21.691 25.805 28 HD22 LEU 3 2HD2 LEU 3 31.605 23.053 24.741 29 HD23 LEU 3 3HD2 LEU 3 33.224 22.826 25.392 30 H LEU 4 H LEU 4 30.420 24.549 21.432 31 HA LEU 4 HA LEU 4 29.364 25.118 23.965 32 HB2 LEU 4 1HB LEU 4 29.852 26.793 22.189 33 HB3 LEU 4 2HB LEU 4 28.434 26.226 21.309 34 HG LEU 4 HG LEU 4 27.056 26.743 23.363 35 HD11 LEU 4 1HD1 LEU 4 28.612 26.788 25.135 36 HD12 LEU 4 2HD1 LEU 4 28.253 28.494 24.866 37 HD13 LEU 4 3HD1 LEU 4 29.744 27.796 24.233 38 HD21 LEU 4 1HD2 LEU 4 28.604 28.979 22.022 39 HD22 LEU 4 2HD2 LEU 4 27.159 29.231 23.001 40 HD23 LEU 4 3HD2 LEU 4 27.059 28.303 21.505 41 H GLU 5 H GLU 5 28.015 23.253 21.341 42 HA GLU 5 HA GLU 5 25.269 23.528 22.074 43 HB2 GLU 5 1HB GLU 5 26.086 22.810 19.827 44 HB3 GLU 5 2HB GLU 5 26.562 21.268 20.539 45 HG2 GLU 5 1HG GLU 5 24.213 20.920 21.283 46 HG3 GLU 5 2HG GLU 5 23.759 22.418 20.484 47 H GLY 6 H GLY 6 27.833 21.441 23.239 48 HA2 GLY 6 1HA GLY 6 27.885 20.179 25.165 49 HA3 GLY 6 2HA GLY 6 26.252 20.721 25.507 50 H GLU 7 H GLU 7 25.904 19.442 22.506 51 HA GLU 7 HA GLU 7 24.441 17.220 23.371 52 HB2 GLU 7 1HB GLU 7 24.246 18.324 21.130 53 HB3 GLU 7 2HB GLU 7 25.761 17.545 20.667 54 HG2 GLU 7 1HG GLU 7 24.741 15.332 21.177 55 HG3 GLU 7 2HG GLU 7 23.221 16.138 21.534 56 H ILE 8 H ILE 8 24.883 15.039 23.525 57 HA ILE 8 HA ILE 8 27.401 14.285 24.442 58 HB ILE 8 HB ILE 8 25.226 12.513 23.297 59 HG12 ILE 8 1HG1 ILE 8 25.779 13.303 26.173 60 HG13 ILE 8 2HG1 ILE 8 24.541 14.058 25.169 61 HG21 ILE 8 1HG2 ILE 8 27.401 11.358 23.535 62 HG22 ILE 8 2HG2 ILE 8 26.230 10.765 24.713 63 HG23 ILE 8 3HG2 ILE 8 27.494 11.887 25.214 64 HD11 ILE 8 1HD1 ILE 8 24.692 11.108 25.851 65 HD12 ILE 8 2HD1 ILE 8 23.456 11.867 24.847 66 HD13 ILE 8 3HD1 ILE 8 23.571 12.268 26.561 67 HA PRO 9 HA PRO 9 29.682 13.609 20.594 68 HB2 PRO 9 1HB PRO 9 30.956 11.291 21.952 69 HB3 PRO 9 2HB PRO 9 31.704 12.704 21.183 70 HG2 PRO 9 1HG PRO 9 31.638 12.436 23.826 71 HG3 PRO 9 2HG PRO 9 31.463 14.020 23.045 72 HD2 PRO 9 1HD PRO 9 29.351 12.292 24.281 73 HD3 PRO 9 2HD PRO 9 29.502 14.063 24.282 74 H PHE 10 H PHE 10 29.438 12.298 18.780 75 HA PHE 10 HA PHE 10 27.347 10.461 18.618 76 HB2 PHE 10 1HB PHE 10 29.791 10.842 16.898 77 HB3 PHE 10 2HB PHE 10 28.523 9.700 16.496 78 HD1 PHE 10 HD1 PHE 10 29.435 13.248 16.772 79 HD2 PHE 10 HD2 PHE 10 26.312 10.470 15.781 80 HE1 PHE 10 HE1 PHE 10 28.151 15.076 15.695 81 HE2 PHE 10 HE2 PHE 10 25.028 12.299 14.704 82 HZ PHE 10 HZ PHE 10 25.947 14.601 14.662 83 HA PRO 11 HA PRO 11 28.841 6.881 20.641 84 HB2 PRO 11 1HB PRO 11 27.874 5.167 18.404 85 HB3 PRO 11 2HB PRO 11 27.472 5.108 20.129 86 HG2 PRO 11 1HG PRO 11 25.763 6.055 18.319 87 HG3 PRO 11 2HG PRO 11 25.872 6.730 19.955 88 HD2 PRO 11 1HD PRO 11 26.878 7.869 17.384 89 HD3 PRO 11 2HD PRO 11 26.245 8.699 18.823 90 HA PRO 12 HA PRO 12 32.813 6.041 18.651 91 HB2 PRO 12 1HB PRO 12 32.911 3.526 20.230 92 HB3 PRO 12 2HB PRO 12 34.063 4.875 20.176 93 HG2 PRO 12 1HG PRO 12 32.476 4.466 22.277 94 HG3 PRO 12 2HG PRO 12 32.918 6.097 21.736 95 HD2 PRO 12 1HD PRO 12 30.335 4.627 21.357 96 HD3 PRO 12 2HD PRO 12 30.617 6.358 21.651 97 H THR 13 H THR 13 30.338 3.516 18.956 98 HA THR 13 HA THR 13 31.306 1.751 16.988 99 HB THR 13 HB THR 13 29.000 0.940 16.833 100 HG1 THR 13 HG1 THR 13 27.407 2.213 17.282 101 HG21 THR 13 1HG2 THR 13 28.628 0.528 19.276 102 HG22 THR 13 2HG2 THR 13 29.895 1.704 19.625 103 HG23 THR 13 3HG2 THR 13 30.286 0.217 18.760 104 H SER 14 H SER 14 29.492 4.775 16.698 105 HA SER 14 HA SER 14 28.703 4.442 13.998 106 HB2 SER 14 1HB SER 14 29.260 7.031 15.462 107 HB3 SER 14 2HB SER 14 28.287 6.834 14.009 108 HG SER 14 HG SER 14 26.690 6.312 15.262 109 H ILE 15 H ILE 15 31.450 6.242 15.424 110 HA ILE 15 HA ILE 15 32.616 6.914 12.937 111 HB ILE 15 HB ILE 15 34.696 7.316 14.177 112 HG12 ILE 15 1HG1 ILE 15 33.228 6.279 16.609 113 HG13 ILE 15 2HG1 ILE 15 34.390 5.299 15.710 114 HG21 ILE 15 1HG2 ILE 15 32.162 8.210 15.583 115 HG22 ILE 15 2HG2 ILE 15 32.940 9.015 14.220 116 HG23 ILE 15 3HG2 ILE 15 33.746 8.959 15.789 117 HD11 ILE 15 1HD1 ILE 15 35.483 6.414 17.615 118 HD12 ILE 15 2HD1 ILE 15 34.963 7.984 17.001 119 HD13 ILE 15 3HD1 ILE 15 36.124 7.020 16.088 120 H LEU 16 H LEU 16 32.817 3.953 14.855 121 HA LEU 16 HA LEU 16 34.921 2.710 13.462 122 HB2 LEU 16 1HB LEU 16 33.782 1.887 15.553 123 HB3 LEU 16 2HB LEU 16 32.451 1.337 14.539 124 HG LEU 16 HG LEU 16 35.227 0.506 13.770 125 HD11 LEU 16 1HD1 LEU 16 34.945 0.150 16.284 126 HD12 LEU 16 2HD1 LEU 16 35.303 -1.294 15.336 127 HD13 LEU 16 3HD1 LEU 16 33.655 -0.983 15.882 128 HD21 LEU 16 1HD2 LEU 16 33.751 -1.665 13.411 129 HD22 LEU 16 2HD2 LEU 16 33.645 -0.328 12.271 130 HD23 LEU 16 3HD2 LEU 16 32.415 -0.519 13.517 131 H LEU 17 H LEU 17 31.463 3.003 12.683 132 HA LEU 17 HA LEU 17 31.440 1.338 10.418 133 HB2 LEU 17 1HB LEU 17 29.421 2.363 11.462 134 HB3 LEU 17 2HB LEU 17 29.895 3.916 10.773 135 HG LEU 17 HG LEU 17 29.901 2.785 8.500 136 HD11 LEU 17 1HD1 LEU 17 28.788 0.581 10.230 137 HD12 LEU 17 2HD1 LEU 17 30.033 0.482 8.985 138 HD13 LEU 17 3HD1 LEU 17 28.343 0.701 8.528 139 HD21 LEU 17 1HD2 LEU 17 27.981 4.152 9.602 140 HD22 LEU 17 2HD2 LEU 17 27.191 2.588 9.811 141 HD23 LEU 17 3HD2 LEU 17 27.592 3.164 8.193 142 H LEU 18 H LEU 18 32.425 4.730 10.777 143 HA LEU 18 HA LEU 18 32.913 5.252 8.045 144 HB2 LEU 18 1HB LEU 18 34.468 6.340 10.403 145 HB3 LEU 18 2HB LEU 18 34.400 7.030 8.786 146 HG LEU 18 HG LEU 18 31.989 6.652 10.584 147 HD11 LEU 18 1HD1 LEU 18 33.434 8.359 11.524 148 HD12 LEU 18 2HD1 LEU 18 32.083 9.161 10.724 149 HD13 LEU 18 3HD1 LEU 18 33.661 9.098 9.939 150 HD21 LEU 18 1HD2 LEU 18 32.430 7.900 7.862 151 HD22 LEU 18 2HD2 LEU 18 31.029 8.295 8.857 152 HD23 LEU 18 3HD2 LEU 18 31.279 6.639 8.304 153 H LEU 19 H LEU 19 34.923 3.665 10.494 154 HA LEU 19 HA LEU 19 37.244 3.367 8.933 155 HB2 LEU 19 1HB LEU 19 36.203 1.370 10.951 156 HB3 LEU 19 2HB LEU 19 37.859 1.533 10.383 157 HG LEU 19 HG LEU 19 36.332 3.699 11.853 158 HD11 LEU 19 1HD1 LEU 19 38.682 2.150 12.923 159 HD12 LEU 19 2HD1 LEU 19 37.044 1.522 13.105 160 HD13 LEU 19 3HD1 LEU 19 37.475 3.080 13.810 161 HD21 LEU 19 1HD2 LEU 19 39.099 3.461 10.689 162 HD22 LEU 19 2HD2 LEU 19 38.819 4.497 12.088 163 HD23 LEU 19 3HD2 LEU 19 37.964 4.805 10.576 164 H ALA 20 H ALA 20 34.255 1.494 8.987 165 HA ALA 20 HA ALA 20 35.061 -0.608 7.298 166 HB1 ALA 20 1HB ALA 20 32.861 -0.327 8.605 167 HB2 ALA 20 2HB ALA 20 32.774 -1.086 7.016 168 HB3 ALA 20 3HB ALA 20 32.307 0.602 7.212 169 H CYS 21 H CYS 21 33.919 2.656 6.556 170 HA CYS 21 HA CYS 21 33.523 2.267 3.786 171 HB2 CYS 21 1HB CYS 21 34.277 4.772 5.309 172 HB3 CYS 21 2HB CYS 21 33.747 4.742 3.628 173 HG CYS 21 HG CYS 21 31.571 5.092 4.941 174 H ILE 22 H ILE 22 36.354 3.483 5.585 175 HA ILE 22 HA ILE 22 37.957 3.842 3.279 176 HB ILE 22 HB ILE 22 38.496 4.835 5.479 177 HG12 ILE 22 1HG1 ILE 22 41.046 4.073 5.296 178 HG13 ILE 22 2HG1 ILE 22 40.464 3.308 3.821 179 HG21 ILE 22 1HG2 ILE 22 39.100 1.971 6.187 180 HG22 ILE 22 2HG2 ILE 22 38.204 3.188 7.090 181 HG23 ILE 22 3HG2 ILE 22 39.953 3.299 6.966 182 HD11 ILE 22 1HD1 ILE 22 39.328 5.791 3.588 183 HD12 ILE 22 2HD1 ILE 22 40.888 5.346 2.902 184 HD13 ILE 22 3HD1 ILE 22 40.814 6.173 4.456 185 H PHE 23 H PHE 23 37.329 0.961 5.236 186 HA PHE 23 HA PHE 23 39.278 -0.705 4.110 187 HB2 PHE 23 1HB PHE 23 37.799 -1.320 6.005 188 HB3 PHE 23 2HB PHE 23 36.465 -1.481 4.879 189 HD1 PHE 23 HD1 PHE 23 39.706 -2.899 5.953 190 HD2 PHE 23 HD2 PHE 23 36.251 -3.412 3.454 191 HE1 PHE 23 HE1 PHE 23 40.363 -5.252 5.527 192 HE2 PHE 23 HE2 PHE 23 36.906 -5.765 3.028 193 HZ PHE 23 HZ PHE 23 38.963 -6.686 4.064 194 H LEU 24 H LEU 24 36.069 0.201 2.851 195 HA LEU 24 HA LEU 24 36.060 -1.471 0.606 196 HB2 LEU 24 1HB LEU 24 34.999 1.359 0.795 197 HB3 LEU 24 2HB LEU 24 34.532 0.156 -0.408 198 HG LEU 24 HG LEU 24 34.176 -0.179 2.586 199 HD11 LEU 24 1HD1 LEU 24 32.719 1.591 1.640 200 HD12 LEU 24 2HD1 LEU 24 31.784 0.177 2.128 201 HD13 LEU 24 3HD1 LEU 24 32.142 0.453 0.423 202 HD21 LEU 24 1HD2 LEU 24 33.534 -1.850 0.161 203 HD22 LEU 24 2HD2 LEU 24 32.562 -1.999 1.625 204 HD23 LEU 24 3HD2 LEU 24 34.290 -2.346 1.675 205 H ILE 25 H ILE 25 37.560 1.736 1.026 206 HA ILE 25 HA ILE 25 38.639 1.939 -1.562 207 HB ILE 25 HB ILE 25 39.856 2.939 1.026 208 HG12 ILE 25 1HG1 ILE 25 38.089 4.359 -0.987 209 HG13 ILE 25 2HG1 ILE 25 37.476 3.640 0.500 210 HG21 ILE 25 1HG2 ILE 25 40.242 3.880 -1.833 211 HG22 ILE 25 2HG2 ILE 25 41.411 2.910 -0.937 212 HG23 ILE 25 3HG2 ILE 25 41.022 4.543 -0.396 213 HD11 ILE 25 1HD1 ILE 25 38.286 6.221 0.314 214 HD12 ILE 25 2HD1 ILE 25 39.795 5.473 0.833 215 HD13 ILE 25 3HD1 ILE 25 38.338 5.293 1.810 216 H ALA 26 H ALA 26 39.792 0.108 1.244 217 HA ALA 26 HA ALA 26 42.265 -0.702 0.214 218 HB1 ALA 26 1HB ALA 26 41.080 -1.174 2.526 219 HB2 ALA 26 2HB ALA 26 42.299 -2.283 1.899 220 HB3 ALA 26 3HB ALA 26 40.586 -2.663 1.722 221 H ILE 27 H ILE 27 39.018 -2.055 -0.317 222 HA ILE 27 HA ILE 27 39.786 -4.276 -1.863 223 HB ILE 27 HB ILE 27 37.301 -2.583 -2.210 224 HG12 ILE 27 1HG1 ILE 27 37.524 -3.276 0.123 225 HG13 ILE 27 2HG1 ILE 27 36.246 -4.201 -0.655 226 HG21 ILE 27 1HG2 ILE 27 37.586 -4.133 -4.046 227 HG22 ILE 27 2HG2 ILE 27 36.331 -4.764 -2.980 228 HG23 ILE 27 3HG2 ILE 27 37.955 -5.451 -2.933 229 HD11 ILE 27 1HD1 ILE 27 38.538 -5.762 -1.062 230 HD12 ILE 27 2HD1 ILE 27 37.282 -6.043 0.141 231 HD13 ILE 27 3HD1 ILE 27 38.726 -5.131 0.572 232 H LEU 28 H LEU 28 39.280 -0.879 -2.775 233 HA LEU 28 HA LEU 28 39.668 -1.176 -5.552 234 HB2 LEU 28 1HB LEU 28 38.948 0.938 -4.420 235 HB3 LEU 28 2HB LEU 28 40.611 1.160 -3.879 236 HG LEU 28 HG LEU 28 41.309 0.974 -6.317 237 HD11 LEU 28 1HD1 LEU 28 38.302 1.114 -6.602 238 HD12 LEU 28 2HD1 LEU 28 39.410 -0.052 -7.324 239 HD13 LEU 28 3HD1 LEU 28 39.388 1.616 -7.898 240 HD21 LEU 28 1HD2 LEU 28 39.544 3.223 -5.318 241 HD22 LEU 28 2HD2 LEU 28 40.435 3.324 -6.837 242 HD23 LEU 28 3HD2 LEU 28 41.306 3.147 -5.314 243 H ALA 29 H ALA 29 42.000 -0.973 -2.905 244 HA ALA 29 HA ALA 29 44.351 -0.830 -4.449 245 HB1 ALA 29 1HB ALA 29 44.059 -0.670 -1.886 246 HB2 ALA 29 2HB ALA 29 45.513 -1.453 -2.503 247 HB3 ALA 29 3HB ALA 29 44.172 -2.430 -1.905 248 H ALA 30 H ALA 30 42.402 -3.610 -3.440 249 HA ALA 30 HA ALA 30 44.083 -5.643 -4.424 250 HB1 ALA 30 1HB ALA 30 42.079 -7.047 -4.475 251 HB2 ALA 30 2HB ALA 30 41.056 -5.616 -4.344 252 HB3 ALA 30 3HB ALA 30 42.108 -6.074 -3.004 253 H SER 31 H SER 31 41.581 -3.715 -6.048 254 HA SER 31 HA SER 31 41.660 -4.980 -8.548 255 HB2 SER 31 1HB SER 31 41.280 -2.026 -8.017 256 HB3 SER 31 2HB SER 31 40.783 -2.901 -9.461 257 HG SER 31 HG SER 31 39.197 -3.839 -8.355 258 H ALA 32 H ALA 32 43.764 -2.448 -7.204 259 HA ALA 32 HA ALA 32 45.274 -1.956 -9.525 260 HB1 ALA 32 1HB ALA 32 47.008 -1.116 -8.014 261 HB2 ALA 32 2HB ALA 32 46.217 -1.903 -6.648 262 HB3 ALA 32 3HB ALA 32 45.416 -0.573 -7.483 263 H LEU 33 H LEU 33 45.633 -4.416 -6.991 264 HA LEU 33 HA LEU 33 48.084 -5.492 -7.867 265 HB2 LEU 33 1HB LEU 33 46.973 -6.040 -5.704 266 HB3 LEU 33 2HB LEU 33 45.793 -7.003 -6.593 267 HG LEU 33 HG LEU 33 47.744 -8.309 -7.558 268 HD11 LEU 33 1HD1 LEU 33 49.801 -8.142 -5.960 269 HD12 LEU 33 2HD1 LEU 33 49.166 -6.541 -5.578 270 HD13 LEU 33 3HD1 LEU 33 49.623 -6.935 -7.235 271 HD21 LEU 33 1HD2 LEU 33 47.488 -8.354 -4.535 272 HD22 LEU 33 2HD2 LEU 33 47.994 -9.693 -5.565 273 HD23 LEU 33 3HD2 LEU 33 46.335 -9.098 -5.642 274 H TRP 34 H TRP 34 44.747 -6.180 -8.884 275 HA TRP 34 HA TRP 34 45.341 -8.270 -10.680 276 HB2 TRP 34 1HB TRP 34 43.169 -6.194 -10.668 277 HB3 TRP 34 2HB TRP 34 43.288 -7.400 -11.932 278 HD1 TRP 34 HD1 TRP 34 42.133 -6.864 -8.414 279 HE1 TRP 34 HE1 TRP 34 41.103 -9.038 -7.494 280 HE3 TRP 34 HE3 TRP 34 43.545 -10.127 -12.079 281 HZ2 TRP 34 HZ2 TRP 34 40.901 -11.802 -8.218 282 HZ3 TRP 34 HZ3 TRP 34 42.922 -12.518 -11.941 283 HH2 TRP 34 HH2 TRP 34 41.604 -13.361 -10.019 284 H ALA 35 H ALA 35 45.646 -4.775 -11.038 285 HA ALA 35 HA ALA 35 46.141 -4.689 -13.806 286 HB1 ALA 35 1HB ALA 35 45.875 -2.756 -12.083 287 HB2 ALA 35 2HB ALA 35 46.946 -2.524 -13.465 288 HB3 ALA 35 3HB ALA 35 47.620 -2.917 -11.883 289 H ALA 36 H ALA 36 48.336 -5.233 -11.079 290 HA ALA 36 HA ALA 36 50.713 -5.527 -12.571 291 HB1 ALA 36 1HB ALA 36 50.592 -5.343 -10.087 292 HB2 ALA 36 2HB ALA 36 51.601 -6.682 -10.637 293 HB3 ALA 36 3HB ALA 36 49.974 -6.993 -10.030 294 H ALA 37 H ALA 37 48.186 -7.865 -11.755 295 HA ALA 37 HA ALA 37 49.413 -10.182 -12.723 296 HB1 ALA 37 1HB ALA 37 47.177 -9.859 -11.443 297 HB2 ALA 37 2HB ALA 37 47.314 -11.189 -12.593 298 HB3 ALA 37 3HB ALA 37 46.467 -9.712 -13.050 299 H TRP 38 H TRP 38 47.735 -7.630 -14.476 300 HA TRP 38 HA TRP 38 47.239 -8.910 -16.877 301 HB2 TRP 38 1HB TRP 38 46.478 -6.646 -16.324 302 HB3 TRP 38 2HB TRP 38 48.121 -6.055 -16.470 303 HD1 TRP 38 HD1 TRP 38 48.956 -5.409 -18.816 304 HE1 TRP 38 HE1 TRP 38 47.910 -5.428 -21.170 305 HE3 TRP 38 HE3 TRP 38 44.709 -8.085 -17.872 306 HZ2 TRP 38 HZ2 TRP 38 45.576 -6.444 -22.483 307 HZ3 TRP 38 HZ3 TRP 38 43.096 -8.562 -19.687 308 HH2 TRP 38 HH2 TRP 38 43.521 -7.747 -21.989 309 H HIS 39 H HIS 39 50.346 -7.802 -15.647 310 HA HIS 39 HA HIS 39 51.780 -7.694 -18.059 311 HB2 HIS 39 1HB HIS 39 52.749 -8.598 -15.345 312 HB3 HIS 39 2HB HIS 39 53.771 -8.120 -16.687 313 HD1 HIS 39 HD1 HIS 39 52.987 -5.511 -17.583 314 HD2 HIS 39 HD2 HIS 39 52.462 -6.531 -13.575 315 HE1 HIS 39 HE1 HIS 39 52.806 -3.333 -16.308 316 H GLY 40 H GLY 40 52.734 -9.230 -19.351 317 HA2 GLY 40 1HA GLY 40 51.968 -11.940 -19.270 318 HA3 GLY 40 2HA GLY 40 53.338 -11.299 -20.167 319 H GLN 41 H GLN 41 54.662 -10.244 -17.784 320 HA GLN 41 HA GLN 41 56.332 -12.392 -17.150 321 HB2 GLN 41 1HB GLN 41 55.853 -9.800 -15.668 322 HB3 GLN 41 2HB GLN 41 57.184 -10.910 -15.336 323 HG2 GLN 41 1HG GLN 41 58.011 -10.656 -17.622 324 HG3 GLN 41 2HG GLN 41 56.647 -9.616 -18.024 325 HE21 GLN 41 1HE2 GLN 41 59.358 -8.712 -18.273 326 HE22 GLN 41 2HE2 GLN 41 59.614 -7.485 -17.128 327 H LYS 42 H LYS 42 56.515 -13.756 -15.411 328 HA LYS 42 HA LYS 42 54.271 -14.649 -14.020 329 HB2 LYS 42 1HB LYS 42 57.187 -14.812 -13.214 330 HB3 LYS 42 2HB LYS 42 55.885 -15.768 -12.505 331 HG2 LYS 42 1HG LYS 42 55.541 -16.999 -14.467 332 HG3 LYS 42 2HG LYS 42 56.304 -15.776 -15.484 333 HD2 LYS 42 1HD LYS 42 57.888 -17.242 -13.380 334 HD3 LYS 42 2HD LYS 42 57.646 -17.938 -14.983 335 HE2 LYS 42 1HE LYS 42 58.578 -15.866 -15.995 336 HE3 LYS 42 2HE LYS 42 58.889 -15.240 -14.377 337 HZ1 LYS 42 1HZ LYS 42 60.284 -17.198 -13.963 338 HZ2 LYS 42 2HZ LYS 42 60.866 -16.256 -15.251 339 HZ3 LYS 42 3HZ LYS 42 60.039 -17.707 -15.563 340 HA PRO 43 HA PRO 43 53.452 -11.510 -11.066 341 HB2 PRO 43 1HB PRO 43 52.858 -12.971 -8.771 342 HB3 PRO 43 2HB PRO 43 51.727 -12.636 -10.094 343 HG2 PRO 43 1HG PRO 43 53.325 -15.079 -9.551 344 HG3 PRO 43 2HG PRO 43 51.671 -14.921 -10.169 345 HD2 PRO 43 1HD PRO 43 53.731 -15.503 -11.813 346 HD3 PRO 43 2HD PRO 43 52.372 -14.488 -12.347 347 H GLY 44 H GLY 44 55.849 -13.931 -10.256 348 HA2 GLY 44 1HA GLY 44 56.861 -12.911 -7.860 349 HA3 GLY 44 2HA GLY 44 57.798 -13.818 -9.038 350 H THR 45 H THR 45 57.338 -11.769 -11.148 351 HA THR 45 HA THR 45 59.629 -10.208 -10.819 352 HB THR 45 HB THR 45 57.228 -9.540 -12.535 353 HG1 THR 45 HG1 THR 45 59.512 -10.947 -13.366 354 HG21 THR 45 1HG2 THR 45 59.239 -8.683 -13.980 355 HG22 THR 45 2HG2 THR 45 60.102 -8.670 -12.441 356 HG23 THR 45 3HG2 THR 45 58.651 -7.689 -12.647 357 H HIS 46 H HIS 46 59.994 -8.099 -10.190 358 HA HIS 46 HA HIS 46 58.500 -7.029 -8.085 359 HB2 HIS 46 1HB HIS 46 60.834 -6.434 -8.521 360 HB3 HIS 46 2HB HIS 46 60.364 -5.623 -10.002 361 HD1 HIS 46 HD1 HIS 46 59.434 -3.251 -9.808 362 HD2 HIS 46 HD2 HIS 46 60.100 -5.040 -6.102 363 HE1 HIS 46 HE1 HIS 46 59.181 -1.423 -8.077 Start of MODEL 5 1 H ARG 1 3H ARG 1 23.569 8.806 32.354 2 HA ARG 1 HA ARG 1 24.720 7.446 30.221 3 HB2 ARG 1 1HB ARG 1 24.831 7.020 33.223 4 HB3 ARG 1 2HB ARG 1 25.977 6.335 32.069 5 HG2 ARG 1 1HG ARG 1 26.517 8.652 31.299 6 HG3 ARG 1 2HG ARG 1 25.470 9.281 32.571 7 HD2 ARG 1 1HD ARG 1 27.936 7.567 32.974 8 HD3 ARG 1 2HD ARG 1 27.798 9.285 33.330 9 HE ARG 1 HE ARG 1 26.909 7.125 34.979 10 HH11 ARG 1 1HH1 ARG 1 26.101 10.422 34.083 11 HH12 ARG 1 2HH1 ARG 1 25.274 10.730 35.572 12 HH21 ARG 1 1HH2 ARG 1 25.831 7.581 36.878 13 HH22 ARG 1 2HH2 ARG 1 25.123 9.141 37.134 14 H SER 2 H SER 2 22.446 6.338 32.712 15 HA SER 2 HA SER 2 22.554 3.592 32.209 16 HB2 SER 2 1HB SER 2 20.503 3.432 33.405 17 HB3 SER 2 2HB SER 2 21.362 4.798 34.108 18 HG SER 2 HG SER 2 20.119 6.046 32.436 19 H LEU 3 H LEU 3 21.381 2.212 30.898 20 HA LEU 3 HA LEU 3 20.769 3.020 28.294 21 HB2 LEU 3 1HB LEU 3 19.710 0.603 29.771 22 HB3 LEU 3 2HB LEU 3 19.754 0.813 28.022 23 HG LEU 3 HG LEU 3 22.198 0.816 29.818 24 HD11 LEU 3 1HD1 LEU 3 22.648 -1.398 28.927 25 HD12 LEU 3 2HD1 LEU 3 21.230 -1.308 27.883 26 HD13 LEU 3 3HD1 LEU 3 21.033 -1.400 29.634 27 HD21 LEU 3 1HD2 LEU 3 23.298 0.480 27.508 28 HD22 LEU 3 2HD2 LEU 3 22.697 2.097 27.878 29 HD23 LEU 3 3HD2 LEU 3 21.763 1.025 26.834 30 H LEU 4 H LEU 4 18.789 3.182 31.153 31 HA LEU 4 HA LEU 4 16.222 3.000 30.035 32 HB2 LEU 4 1HB LEU 4 17.133 4.683 32.378 33 HB3 LEU 4 2HB LEU 4 15.469 4.225 32.023 34 HG LEU 4 HG LEU 4 17.719 2.258 32.549 35 HD11 LEU 4 1HD1 LEU 4 15.443 3.210 34.314 36 HD12 LEU 4 2HD1 LEU 4 17.160 3.519 34.576 37 HD13 LEU 4 3HD1 LEU 4 16.530 1.876 34.701 38 HD21 LEU 4 1HD2 LEU 4 15.645 0.742 32.866 39 HD22 LEU 4 2HD2 LEU 4 16.089 1.167 31.213 40 HD23 LEU 4 3HD2 LEU 4 14.757 2.003 32.010 41 H GLU 5 H GLU 5 18.563 5.580 29.860 42 HA GLU 5 HA GLU 5 16.720 7.702 29.328 43 HB2 GLU 5 1HB GLU 5 19.113 7.951 30.086 44 HB3 GLU 5 2HB GLU 5 19.604 7.526 28.445 45 HG2 GLU 5 1HG GLU 5 18.231 9.411 27.582 46 HG3 GLU 5 2HG GLU 5 17.846 9.865 29.234 47 H GLY 6 H GLY 6 18.274 5.288 27.280 48 HA2 GLY 6 1HA GLY 6 17.543 4.448 25.282 49 HA3 GLY 6 2HA GLY 6 16.152 5.505 25.408 50 H GLU 7 H GLU 7 18.556 7.715 25.555 51 HA GLU 7 HA GLU 7 18.212 8.626 22.926 52 HB2 GLU 7 1HB GLU 7 20.408 9.197 24.923 53 HB3 GLU 7 2HB GLU 7 20.221 10.057 23.393 54 HG2 GLU 7 1HG GLU 7 18.099 9.860 25.545 55 HG3 GLU 7 2HG GLU 7 19.135 11.258 25.283 56 H ILE 8 H ILE 8 19.368 8.408 21.060 57 HA ILE 8 HA ILE 8 20.753 6.052 20.537 58 HB ILE 8 HB ILE 8 21.489 7.165 18.442 59 HG12 ILE 8 1HG1 ILE 8 20.133 9.611 19.618 60 HG13 ILE 8 2HG1 ILE 8 21.883 9.410 19.504 61 HG21 ILE 8 1HG2 ILE 8 18.624 7.827 19.173 62 HG22 ILE 8 2HG2 ILE 8 19.183 6.210 18.741 63 HG23 ILE 8 3HG2 ILE 8 19.261 7.516 17.558 64 HD11 ILE 8 1HD1 ILE 8 21.112 10.697 17.585 65 HD12 ILE 8 2HD1 ILE 8 19.920 9.456 17.193 66 HD13 ILE 8 3HD1 ILE 8 21.642 9.108 17.034 67 HA PRO 9 HA PRO 9 24.917 6.952 22.096 68 HB2 PRO 9 1HB PRO 9 26.381 5.708 20.063 69 HB3 PRO 9 2HB PRO 9 25.785 4.913 21.531 70 HG2 PRO 9 1HG PRO 9 24.658 4.902 18.792 71 HG3 PRO 9 2HG PRO 9 24.685 3.619 20.014 72 HD2 PRO 9 1HD PRO 9 22.439 5.033 19.500 73 HD3 PRO 9 2HD PRO 9 22.823 4.446 21.134 74 H PHE 10 H PHE 10 26.569 8.491 21.590 75 HA PHE 10 HA PHE 10 25.702 10.618 20.035 76 HB2 PHE 10 1HB PHE 10 27.559 10.400 21.894 77 HB3 PHE 10 2HB PHE 10 28.625 10.233 20.516 78 HD1 PHE 10 HD1 PHE 10 25.638 12.425 21.187 79 HD2 PHE 10 HD2 PHE 10 29.818 12.196 20.222 80 HE1 PHE 10 HE1 PHE 10 25.725 14.894 20.973 81 HE2 PHE 10 HE2 PHE 10 29.902 14.665 20.007 82 HZ PHE 10 HZ PHE 10 27.856 16.014 20.383 83 HA PRO 11 HA PRO 11 26.443 9.429 15.889 84 HB2 PRO 11 1HB PRO 11 27.567 12.099 15.256 85 HB3 PRO 11 2HB PRO 11 26.183 11.245 14.552 86 HG2 PRO 11 1HG PRO 11 25.881 13.309 16.210 87 HG3 PRO 11 2HG PRO 11 24.747 11.947 16.181 88 HD2 PRO 11 1HD PRO 11 26.869 12.584 18.186 89 HD3 PRO 11 2HD PRO 11 25.276 11.827 18.411 90 HA PRO 12 HA PRO 12 31.216 10.404 15.236 91 HB2 PRO 12 1HB PRO 12 32.063 9.930 18.060 92 HB3 PRO 12 2HB PRO 12 32.757 11.015 16.838 93 HG2 PRO 12 1HG PRO 12 31.287 11.968 18.821 94 HG3 PRO 12 2HG PRO 12 31.170 12.646 17.185 95 HD2 PRO 12 1HD PRO 12 29.260 10.843 18.610 96 HD3 PRO 12 2HD PRO 12 28.929 12.143 17.444 97 H THR 13 H THR 13 29.910 8.150 17.668 98 HA THR 13 HA THR 13 31.652 5.993 17.162 99 HB THR 13 HB THR 13 29.867 4.571 18.065 100 HG1 THR 13 HG1 THR 13 28.225 6.836 18.245 101 HG21 THR 13 1HG2 THR 13 29.563 5.761 20.215 102 HG22 THR 13 2HG2 THR 13 30.105 7.257 19.455 103 HG23 THR 13 3HG2 THR 13 31.219 5.901 19.626 104 H SER 14 H SER 14 28.701 7.044 15.477 105 HA SER 14 HA SER 14 28.539 4.945 13.620 106 HB2 SER 14 1HB SER 14 26.832 6.751 13.935 107 HB3 SER 14 2HB SER 14 27.920 7.861 13.107 108 HG SER 14 HG SER 14 27.499 6.892 11.260 109 H ILE 15 H ILE 15 30.510 7.900 13.620 110 HA ILE 15 HA ILE 15 31.592 7.614 11.034 111 HB ILE 15 HB ILE 15 33.049 8.711 13.447 112 HG12 ILE 15 1HG1 ILE 15 30.854 9.799 13.228 113 HG13 ILE 15 2HG1 ILE 15 32.138 10.906 12.756 114 HG21 ILE 15 1HG2 ILE 15 34.461 8.343 11.484 115 HG22 ILE 15 2HG2 ILE 15 34.211 10.070 11.737 116 HG23 ILE 15 3HG2 ILE 15 33.316 9.225 10.474 117 HD11 ILE 15 1HD1 ILE 15 30.281 11.042 11.164 118 HD12 ILE 15 2HD1 ILE 15 30.377 9.309 10.867 119 HD13 ILE 15 3HD1 ILE 15 31.698 10.363 10.367 120 H LEU 16 H LEU 16 32.452 6.021 14.073 121 HA LEU 16 HA LEU 16 34.825 4.771 13.198 122 HB2 LEU 16 1HB LEU 16 33.954 4.711 15.546 123 HB3 LEU 16 2HB LEU 16 32.748 3.539 15.018 124 HG LEU 16 HG LEU 16 34.645 2.102 14.167 125 HD11 LEU 16 1HD1 LEU 16 36.203 4.272 15.576 126 HD12 LEU 16 2HD1 LEU 16 36.443 3.636 13.949 127 HD13 LEU 16 3HD1 LEU 16 36.869 2.655 15.351 128 HD21 LEU 16 1HD2 LEU 16 34.896 2.690 17.123 129 HD22 LEU 16 2HD2 LEU 16 35.051 1.135 16.306 130 HD23 LEU 16 3HD2 LEU 16 33.470 1.901 16.448 131 H LEU 17 H LEU 17 31.420 3.859 12.741 132 HA LEU 17 HA LEU 17 31.870 1.459 11.325 133 HB2 LEU 17 1HB LEU 17 29.618 2.331 12.035 134 HB3 LEU 17 2HB LEU 17 29.691 3.455 10.678 135 HG LEU 17 HG LEU 17 30.183 1.345 9.245 136 HD11 LEU 17 1HD1 LEU 17 28.610 -0.060 11.385 137 HD12 LEU 17 2HD1 LEU 17 30.367 0.008 11.509 138 HD13 LEU 17 3HD1 LEU 17 29.612 -0.746 10.106 139 HD21 LEU 17 1HD2 LEU 17 27.399 1.390 10.384 140 HD22 LEU 17 2HD2 LEU 17 27.908 1.233 8.703 141 HD23 LEU 17 3HD2 LEU 17 28.008 2.797 9.512 142 H LEU 18 H LEU 18 32.048 4.820 10.256 143 HA LEU 18 HA LEU 18 32.379 4.379 7.500 144 HB2 LEU 18 1HB LEU 18 32.259 6.580 9.000 145 HB3 LEU 18 2HB LEU 18 34.008 6.477 8.877 146 HG LEU 18 HG LEU 18 33.165 7.916 7.122 147 HD11 LEU 18 1HD1 LEU 18 34.390 7.047 5.379 148 HD12 LEU 18 2HD1 LEU 18 33.727 5.426 5.575 149 HD13 LEU 18 3HD1 LEU 18 34.961 6.014 6.688 150 HD21 LEU 18 1HD2 LEU 18 31.420 7.396 5.674 151 HD22 LEU 18 2HD2 LEU 18 30.878 6.627 7.166 152 HD23 LEU 18 3HD2 LEU 18 31.619 5.658 5.893 153 H LEU 19 H LEU 19 34.702 4.154 10.169 154 HA LEU 19 HA LEU 19 37.032 3.728 8.645 155 HB2 LEU 19 1HB LEU 19 36.980 4.011 11.130 156 HB3 LEU 19 2HB LEU 19 36.377 2.359 11.257 157 HG LEU 19 HG LEU 19 38.399 1.616 9.933 158 HD11 LEU 19 1HD1 LEU 19 40.335 3.302 10.122 159 HD12 LEU 19 2HD1 LEU 19 39.089 4.520 10.391 160 HD13 LEU 19 3HD1 LEU 19 39.125 3.614 8.879 161 HD21 LEU 19 1HD2 LEU 19 39.137 3.039 12.499 162 HD22 LEU 19 2HD2 LEU 19 39.796 1.531 11.868 163 HD23 LEU 19 3HD2 LEU 19 38.145 1.582 12.485 164 H ALA 20 H ALA 20 34.433 1.508 9.538 165 HA ALA 20 HA ALA 20 35.579 -0.877 8.560 166 HB1 ALA 20 1HB ALA 20 33.359 -0.553 9.821 167 HB2 ALA 20 2HB ALA 20 33.394 -1.777 8.551 168 HB3 ALA 20 3HB ALA 20 32.657 -0.206 8.241 169 H CYS 21 H CYS 21 33.786 1.682 6.895 170 HA CYS 21 HA CYS 21 33.733 0.507 4.331 171 HB2 CYS 21 1HB CYS 21 34.017 3.455 4.938 172 HB3 CYS 21 2HB CYS 21 33.389 2.737 3.459 173 HG CYS 21 HG CYS 21 31.882 2.862 6.167 174 H ILE 22 H ILE 22 36.278 2.325 5.997 175 HA ILE 22 HA ILE 22 38.021 2.651 3.809 176 HB ILE 22 HB ILE 22 38.823 2.133 6.679 177 HG12 ILE 22 1HG1 ILE 22 37.202 3.973 6.571 178 HG13 ILE 22 2HG1 ILE 22 38.810 4.596 6.918 179 HG21 ILE 22 1HG2 ILE 22 40.652 2.004 5.025 180 HG22 ILE 22 2HG2 ILE 22 40.829 3.398 6.089 181 HG23 ILE 22 3HG2 ILE 22 40.233 3.614 4.444 182 HD11 ILE 22 1HD1 ILE 22 37.423 4.615 4.219 183 HD12 ILE 22 2HD1 ILE 22 39.074 5.165 4.502 184 HD13 ILE 22 3HD1 ILE 22 37.722 6.011 5.251 185 H PHE 23 H PHE 23 37.487 -0.139 5.947 186 HA PHE 23 HA PHE 23 39.535 -1.781 4.956 187 HB2 PHE 23 1HB PHE 23 38.029 -2.380 6.841 188 HB3 PHE 23 2HB PHE 23 36.743 -2.667 5.685 189 HD1 PHE 23 HD1 PHE 23 40.045 -3.843 6.881 190 HD2 PHE 23 HD2 PHE 23 36.649 -4.685 4.387 191 HE1 PHE 23 HE1 PHE 23 40.837 -6.175 6.587 192 HE2 PHE 23 HE2 PHE 23 37.443 -7.016 4.093 193 HZ PHE 23 HZ PHE 23 39.537 -7.760 5.193 194 H LEU 24 H LEU 24 36.312 -1.121 3.585 195 HA LEU 24 HA LEU 24 36.505 -2.853 1.388 196 HB2 LEU 24 1HB LEU 24 35.220 -0.116 1.330 197 HB3 LEU 24 2HB LEU 24 34.890 -1.465 0.250 198 HG LEU 24 HG LEU 24 34.438 -1.519 3.248 199 HD11 LEU 24 1HD1 LEU 24 32.864 -0.003 2.152 200 HD12 LEU 24 2HD1 LEU 24 32.030 -1.489 2.606 201 HD13 LEU 24 3HD1 LEU 24 32.508 -1.222 0.929 202 HD21 LEU 24 1HD2 LEU 24 34.782 -3.753 2.575 203 HD22 LEU 24 2HD2 LEU 24 34.034 -3.488 1.000 204 HD23 LEU 24 3HD2 LEU 24 33.032 -3.568 2.449 205 H ILE 25 H ILE 25 37.894 0.388 1.814 206 HA ILE 25 HA ILE 25 38.924 0.681 -0.781 207 HB ILE 25 HB ILE 25 40.296 1.604 1.756 208 HG12 ILE 25 1HG1 ILE 25 38.270 3.039 0.006 209 HG13 ILE 25 2HG1 ILE 25 37.888 2.314 1.567 210 HG21 ILE 25 1HG2 ILE 25 41.294 3.283 0.303 211 HG22 ILE 25 2HG2 ILE 25 40.376 2.679 -1.078 212 HG23 ILE 25 3HG2 ILE 25 41.637 1.682 -0.351 213 HD11 ILE 25 1HD1 ILE 25 39.949 3.790 2.373 214 HD12 ILE 25 2HD1 ILE 25 38.335 4.484 2.236 215 HD13 ILE 25 3HD1 ILE 25 39.517 4.747 0.955 216 H ALA 26 H ALA 26 40.158 -1.245 1.929 217 HA ALA 26 HA ALA 26 42.596 -2.026 0.799 218 HB1 ALA 26 1HB ALA 26 41.547 -2.632 3.098 219 HB2 ALA 26 2HB ALA 26 42.586 -3.821 2.310 220 HB3 ALA 26 3HB ALA 26 40.832 -3.994 2.237 221 H ILE 27 H ILE 27 39.329 -3.336 0.270 222 HA ILE 27 HA ILE 27 40.070 -5.416 -1.483 223 HB ILE 27 HB ILE 27 37.514 -3.785 -1.511 224 HG12 ILE 27 1HG1 ILE 27 38.142 -6.420 -0.145 225 HG13 ILE 27 2HG1 ILE 27 38.147 -4.866 0.682 226 HG21 ILE 27 1HG2 ILE 27 37.820 -5.125 -3.557 227 HG22 ILE 27 2HG2 ILE 27 36.557 -5.829 -2.549 228 HG23 ILE 27 3HG2 ILE 27 38.165 -6.553 -2.582 229 HD11 ILE 27 1HD1 ILE 27 35.967 -6.482 0.532 230 HD12 ILE 27 2HD1 ILE 27 35.683 -5.458 -0.873 231 HD13 ILE 27 3HD1 ILE 27 35.870 -4.735 0.722 232 H LEU 28 H LEU 28 39.491 -1.969 -2.102 233 HA LEU 28 HA LEU 28 39.747 -2.089 -4.911 234 HB2 LEU 28 1HB LEU 28 40.249 0.109 -2.929 235 HB3 LEU 28 2HB LEU 28 40.725 0.318 -4.604 236 HG LEU 28 HG LEU 28 38.470 1.231 -4.099 237 HD11 LEU 28 1HD1 LEU 28 39.201 0.254 -6.360 238 HD12 LEU 28 2HD1 LEU 28 37.471 0.481 -6.098 239 HD13 LEU 28 3HD1 LEU 28 38.182 -1.126 -5.951 240 HD21 LEU 28 1HD2 LEU 28 37.817 -0.487 -2.410 241 HD22 LEU 28 2HD2 LEU 28 37.669 -1.667 -3.712 242 HD23 LEU 28 3HD2 LEU 28 36.599 -0.266 -3.667 243 H ALA 29 H ALA 29 42.198 -2.096 -2.385 244 HA ALA 29 HA ALA 29 44.480 -1.787 -3.993 245 HB1 ALA 29 1HB ALA 29 45.705 -2.704 -2.204 246 HB2 ALA 29 2HB ALA 29 44.365 -3.735 -1.698 247 HB3 ALA 29 3HB ALA 29 44.292 -1.995 -1.422 248 H ALA 30 H ALA 30 42.505 -4.648 -3.316 249 HA ALA 30 HA ALA 30 44.063 -6.555 -4.683 250 HB1 ALA 30 1HB ALA 30 41.044 -6.524 -4.698 251 HB2 ALA 30 2HB ALA 30 41.978 -6.957 -3.266 252 HB3 ALA 30 3HB ALA 30 42.119 -7.921 -4.736 253 H SER 31 H SER 31 41.574 -4.321 -5.887 254 HA SER 31 HA SER 31 41.625 -5.103 -8.584 255 HB2 SER 31 1HB SER 31 41.323 -2.258 -7.603 256 HB3 SER 31 2HB SER 31 40.745 -2.928 -9.122 257 HG SER 31 HG SER 31 39.974 -3.875 -6.556 258 H ALA 32 H ALA 32 43.835 -2.993 -6.784 259 HA ALA 32 HA ALA 32 45.371 -2.069 -8.945 260 HB1 ALA 32 1HB ALA 32 45.505 -1.405 -6.465 261 HB2 ALA 32 2HB ALA 32 47.023 -1.496 -7.361 262 HB3 ALA 32 3HB ALA 32 46.558 -2.808 -6.275 263 H LEU 33 H LEU 33 45.518 -5.120 -7.138 264 HA LEU 33 HA LEU 33 47.857 -6.150 -8.328 265 HB2 LEU 33 1HB LEU 33 45.404 -7.707 -7.480 266 HB3 LEU 33 2HB LEU 33 47.021 -8.360 -7.725 267 HG LEU 33 HG LEU 33 46.310 -6.228 -5.688 268 HD11 LEU 33 1HD1 LEU 33 46.718 -8.043 -4.039 269 HD12 LEU 33 2HD1 LEU 33 46.906 -9.186 -5.369 270 HD13 LEU 33 3HD1 LEU 33 45.350 -8.406 -5.090 271 HD21 LEU 33 1HD2 LEU 33 48.632 -6.935 -4.826 272 HD22 LEU 33 2HD2 LEU 33 48.600 -5.951 -6.290 273 HD23 LEU 33 3HD2 LEU 33 48.859 -7.693 -6.403 274 H TRP 34 H TRP 34 44.492 -6.117 -9.478 275 HA TRP 34 HA TRP 34 44.884 -7.619 -11.836 276 HB2 TRP 34 1HB TRP 34 42.679 -6.741 -10.977 277 HB3 TRP 34 2HB TRP 34 43.127 -5.179 -11.634 278 HD1 TRP 34 HD1 TRP 34 42.694 -4.759 -14.122 279 HE1 TRP 34 HE1 TRP 34 41.767 -6.183 -16.060 280 HE3 TRP 34 HE3 TRP 34 42.659 -9.356 -11.899 281 HZ2 TRP 34 HZ2 TRP 34 41.100 -8.918 -16.599 282 HZ3 TRP 34 HZ3 TRP 34 41.877 -11.348 -13.143 283 HH2 TRP 34 HH2 TRP 34 41.099 -11.138 -15.486 284 H ALA 35 H ALA 35 45.641 -4.252 -11.109 285 HA ALA 35 HA ALA 35 46.461 -3.440 -13.678 286 HB1 ALA 35 1HB ALA 35 47.981 -2.572 -11.244 287 HB2 ALA 35 2HB ALA 35 46.291 -2.101 -11.431 288 HB3 ALA 35 3HB ALA 35 47.479 -1.626 -12.645 289 H ALA 36 H ALA 36 48.194 -5.221 -11.157 290 HA ALA 36 HA ALA 36 50.683 -5.445 -12.436 291 HB1 ALA 36 1HB ALA 36 51.159 -7.152 -10.925 292 HB2 ALA 36 2HB ALA 36 49.503 -7.759 -10.935 293 HB3 ALA 36 3HB ALA 36 49.888 -6.262 -10.085 294 H ALA 37 H ALA 37 47.719 -7.350 -12.865 295 HA ALA 37 HA ALA 37 48.706 -9.272 -14.646 296 HB1 ALA 37 1HB ALA 37 46.336 -8.961 -13.560 297 HB2 ALA 37 2HB ALA 37 46.494 -9.782 -15.113 298 HB3 ALA 37 3HB ALA 37 45.983 -8.095 -15.055 299 H TRP 38 H TRP 38 47.642 -5.957 -15.266 300 HA TRP 38 HA TRP 38 47.663 -5.953 -18.045 301 HB2 TRP 38 1HB TRP 38 46.973 -4.064 -16.575 302 HB3 TRP 38 2HB TRP 38 48.667 -3.731 -16.275 303 HD1 TRP 38 HD1 TRP 38 46.105 -3.761 -19.140 304 HE1 TRP 38 HE1 TRP 38 46.880 -2.082 -20.935 305 HE3 TRP 38 HE3 TRP 38 50.637 -2.426 -17.202 306 HZ2 TRP 38 HZ2 TRP 38 49.127 -0.392 -21.478 307 HZ3 TRP 38 HZ3 TRP 38 52.070 -0.784 -18.373 308 HH2 TRP 38 HH2 TRP 38 51.325 0.235 -20.506 309 H HIS 39 H HIS 39 50.404 -6.152 -15.888 310 HA HIS 39 HA HIS 39 52.408 -5.016 -17.468 311 HB2 HIS 39 1HB HIS 39 52.654 -5.736 -15.111 312 HB3 HIS 39 2HB HIS 39 52.610 -7.407 -15.633 313 HD1 HIS 39 HD1 HIS 39 54.667 -4.305 -16.489 314 HD2 HIS 39 HD2 HIS 39 55.156 -8.403 -15.900 315 HE1 HIS 39 HE1 HIS 39 57.144 -4.771 -16.729 316 H GLY 40 H GLY 40 53.600 -5.702 -19.176 317 HA2 GLY 40 1HA GLY 40 52.828 -7.908 -20.779 318 HA3 GLY 40 2HA GLY 40 54.332 -7.002 -20.935 319 H GLN 41 H GLN 41 53.662 -9.998 -20.943 320 HA GLN 41 HA GLN 41 54.863 -11.239 -18.739 321 HB2 GLN 41 1HB GLN 41 54.909 -12.031 -21.658 322 HB3 GLN 41 2HB GLN 41 55.412 -13.079 -20.332 323 HG2 GLN 41 1HG GLN 41 53.186 -12.940 -19.332 324 HG3 GLN 41 2HG GLN 41 52.669 -11.819 -20.589 325 HE21 GLN 41 1HE2 GLN 41 51.336 -14.319 -20.162 326 HE22 GLN 41 2HE2 GLN 41 51.606 -15.304 -21.518 327 H LYS 42 H LYS 42 56.339 -9.548 -21.458 328 HA LYS 42 HA LYS 42 59.003 -10.292 -21.136 329 HB2 LYS 42 1HB LYS 42 57.699 -7.726 -22.025 330 HB3 LYS 42 2HB LYS 42 59.454 -7.893 -21.963 331 HG2 LYS 42 1HG LYS 42 59.387 -9.767 -23.502 332 HG3 LYS 42 2HG LYS 42 57.623 -9.781 -23.471 333 HD2 LYS 42 1HD LYS 42 57.520 -7.609 -24.531 334 HD3 LYS 42 2HD LYS 42 59.268 -7.413 -24.400 335 HE2 LYS 42 1HE LYS 42 59.555 -9.421 -25.864 336 HE3 LYS 42 2HE LYS 42 57.805 -9.467 -26.080 337 HZ1 LYS 42 1HZ LYS 42 59.760 -7.599 -27.154 338 HZ2 LYS 42 2HZ LYS 42 58.274 -6.935 -26.667 339 HZ3 LYS 42 3HZ LYS 42 58.314 -8.169 -27.834 340 HA PRO 43 HA PRO 43 60.083 -8.492 -17.138 341 HB2 PRO 43 1HB PRO 43 62.662 -7.609 -17.722 342 HB3 PRO 43 2HB PRO 43 62.236 -9.244 -17.188 343 HG2 PRO 43 1HG PRO 43 62.776 -8.235 -19.925 344 HG3 PRO 43 2HG PRO 43 63.199 -9.790 -19.185 345 HD2 PRO 43 1HD PRO 43 61.141 -9.575 -20.918 346 HD3 PRO 43 2HD PRO 43 61.087 -10.702 -19.543 347 H GLY 44 H GLY 44 60.385 -6.746 -20.154 348 HA2 GLY 44 1HA GLY 44 60.954 -4.160 -19.272 349 HA3 GLY 44 2HA GLY 44 60.020 -4.549 -20.713 350 H THR 45 H THR 45 59.681 -2.409 -18.679 351 HA THR 45 HA THR 45 57.556 -2.877 -16.933 352 HB THR 45 HB THR 45 58.897 -0.847 -16.845 353 HG1 THR 45 HG1 THR 45 57.182 0.569 -16.544 354 HG21 THR 45 1HG2 THR 45 58.474 0.942 -18.554 355 HG22 THR 45 2HG2 THR 45 57.567 -0.239 -19.498 356 HG23 THR 45 3HG2 THR 45 59.289 -0.479 -19.210 357 H HIS 46 H HIS 46 57.484 -2.511 -20.406 358 HA HIS 46 HA HIS 46 55.765 -2.486 -21.925 359 HB2 HIS 46 1HB HIS 46 55.191 -4.601 -20.838 360 HB3 HIS 46 2HB HIS 46 54.271 -3.743 -19.618 361 HD1 HIS 46 HD1 HIS 46 51.879 -3.119 -20.182 362 HD2 HIS 46 HD2 HIS 46 53.973 -4.566 -23.484 363 HE1 HIS 46 HE1 HIS 46 50.175 -3.435 -22.027 Start of MODEL 6 1 H ARG 1 3H ARG 1 15.043 11.292 7.010 2 HA ARG 1 HA ARG 1 13.918 12.979 9.158 3 HB2 ARG 1 1HB ARG 1 14.732 11.324 10.758 4 HB3 ARG 1 2HB ARG 1 13.571 10.573 9.666 5 HG2 ARG 1 1HG ARG 1 15.540 9.792 8.273 6 HG3 ARG 1 2HG ARG 1 16.585 10.349 9.580 7 HD2 ARG 1 1HD ARG 1 15.339 8.881 11.160 8 HD3 ARG 1 2HD ARG 1 14.405 8.261 9.801 9 HE ARG 1 HE ARG 1 16.277 7.057 9.100 10 HH11 ARG 1 1HH1 ARG 1 17.199 9.210 11.714 11 HH12 ARG 1 2HH1 ARG 1 18.744 8.456 11.924 12 HH21 ARG 1 1HH2 ARG 1 18.279 6.127 9.415 13 HH22 ARG 1 2HH2 ARG 1 19.348 6.733 10.637 14 H SER 2 H SER 2 16.293 12.518 10.749 15 HA SER 2 HA SER 2 17.783 14.700 9.857 16 HB2 SER 2 1HB SER 2 17.717 13.890 12.194 17 HB3 SER 2 2HB SER 2 18.698 12.507 11.722 18 HG SER 2 HG SER 2 20.009 14.175 12.513 19 H LEU 3 H LEU 3 18.121 11.346 8.977 20 HA LEU 3 HA LEU 3 20.833 11.217 8.345 21 HB2 LEU 3 1HB LEU 3 19.274 9.287 8.427 22 HB3 LEU 3 2HB LEU 3 18.558 9.833 6.912 23 HG LEU 3 HG LEU 3 20.842 9.682 5.861 24 HD11 LEU 3 1HD1 LEU 3 21.456 8.626 8.616 25 HD12 LEU 3 2HD1 LEU 3 22.361 9.797 7.655 26 HD13 LEU 3 3HD1 LEU 3 22.391 8.087 7.222 27 HD21 LEU 3 1HD2 LEU 3 20.868 7.122 5.925 28 HD22 LEU 3 2HD2 LEU 3 19.349 7.873 5.435 29 HD23 LEU 3 3HD2 LEU 3 19.533 7.241 7.071 30 H LEU 4 H LEU 4 18.251 12.819 6.609 31 HA LEU 4 HA LEU 4 19.327 12.796 4.014 32 HB2 LEU 4 1HB LEU 4 17.443 14.625 5.458 33 HB3 LEU 4 2HB LEU 4 18.014 15.036 3.841 34 HG LEU 4 HG LEU 4 17.340 12.537 3.302 35 HD11 LEU 4 1HD1 LEU 4 16.791 11.968 5.649 36 HD12 LEU 4 2HD1 LEU 4 15.382 11.809 4.601 37 HD13 LEU 4 3HD1 LEU 4 15.544 13.215 5.651 38 HD21 LEU 4 1HD2 LEU 4 15.178 14.619 3.725 39 HD22 LEU 4 2HD2 LEU 4 15.196 13.329 2.523 40 HD23 LEU 4 3HD2 LEU 4 16.332 14.672 2.392 41 H GLU 5 H GLU 5 20.258 14.655 6.807 42 HA GLU 5 HA GLU 5 21.569 16.779 5.423 43 HB2 GLU 5 1HB GLU 5 20.818 16.866 7.797 44 HB3 GLU 5 2HB GLU 5 22.110 15.741 8.211 45 HG2 GLU 5 1HG GLU 5 22.925 17.955 8.663 46 HG3 GLU 5 2HG GLU 5 23.748 17.386 7.217 47 H GLY 6 H GLY 6 22.556 13.536 6.268 48 HA2 GLY 6 1HA GLY 6 24.296 12.352 5.254 49 HA3 GLY 6 2HA GLY 6 24.957 13.866 4.661 50 H GLU 7 H GLU 7 24.555 14.675 7.758 51 HA GLU 7 HA GLU 7 27.224 14.404 8.562 52 HB2 GLU 7 1HB GLU 7 24.733 14.670 10.264 53 HB3 GLU 7 2HB GLU 7 26.384 14.903 10.843 54 HG2 GLU 7 1HG GLU 7 26.694 16.694 9.145 55 HG3 GLU 7 2HG GLU 7 25.017 16.498 8.660 56 H ILE 8 H ILE 8 28.325 12.889 9.784 57 HA ILE 8 HA ILE 8 27.581 10.206 9.690 58 HB ILE 8 HB ILE 8 29.354 9.849 11.406 59 HG12 ILE 8 1HG1 ILE 8 29.664 12.862 11.345 60 HG13 ILE 8 2HG1 ILE 8 28.810 12.019 12.635 61 HG21 ILE 8 1HG2 ILE 8 29.797 10.214 8.929 62 HG22 ILE 8 2HG2 ILE 8 31.157 10.570 9.995 63 HG23 ILE 8 3HG2 ILE 8 30.190 11.886 9.331 64 HD11 ILE 8 1HD1 ILE 8 30.734 11.081 13.489 65 HD12 ILE 8 2HD1 ILE 8 31.412 12.564 12.820 66 HD13 ILE 8 3HD1 ILE 8 31.551 11.051 11.925 67 HA PRO 9 HA PRO 9 24.570 9.906 13.014 68 HB2 PRO 9 1HB PRO 9 25.726 7.276 13.725 69 HB3 PRO 9 2HB PRO 9 24.072 7.685 13.244 70 HG2 PRO 9 1HG PRO 9 25.744 6.368 11.625 71 HG3 PRO 9 2HG PRO 9 24.527 7.505 11.016 72 HD2 PRO 9 1HD PRO 9 27.480 7.884 11.293 73 HD3 PRO 9 2HD PRO 9 26.370 8.518 10.057 74 H PHE 10 H PHE 10 24.546 10.364 15.213 75 HA PHE 10 HA PHE 10 26.841 11.533 16.261 76 HB2 PHE 10 1HB PHE 10 24.326 11.820 16.822 77 HB3 PHE 10 2HB PHE 10 24.648 10.611 18.052 78 HD1 PHE 10 HD1 PHE 10 26.622 11.080 19.675 79 HD2 PHE 10 HD2 PHE 10 24.785 14.078 17.207 80 HE1 PHE 10 HE1 PHE 10 27.529 12.852 21.152 81 HE2 PHE 10 HE2 PHE 10 25.692 15.850 18.684 82 HZ PHE 10 HZ PHE 10 27.064 15.238 20.657 83 HA PRO 11 HA PRO 11 27.298 7.698 19.264 84 HB2 PRO 11 1HB PRO 11 27.255 5.581 17.159 85 HB3 PRO 11 2HB PRO 11 26.736 5.501 18.854 86 HG2 PRO 11 1HG PRO 11 24.968 5.659 16.886 87 HG3 PRO 11 2HG PRO 11 24.715 6.504 18.426 88 HD2 PRO 11 1HD PRO 11 25.518 7.630 15.779 89 HD3 PRO 11 2HD PRO 11 24.529 8.357 17.064 90 HA PRO 12 HA PRO 12 31.605 7.939 17.750 91 HB2 PRO 12 1HB PRO 12 32.764 6.292 19.663 92 HB3 PRO 12 2HB PRO 12 32.483 8.030 19.863 93 HG2 PRO 12 1HG PRO 12 30.895 5.735 20.870 94 HG3 PRO 12 2HG PRO 12 31.260 7.289 21.644 95 HD2 PRO 12 1HD PRO 12 28.845 6.795 20.528 96 HD3 PRO 12 2HD PRO 12 29.576 8.416 20.508 97 H THR 13 H THR 13 30.014 4.902 18.670 98 HA THR 13 HA THR 13 31.661 3.115 17.262 99 HB THR 13 HB THR 13 28.669 2.899 17.641 100 HG1 THR 13 HG1 THR 13 30.874 2.480 19.333 101 HG21 THR 13 1HG2 THR 13 29.155 0.473 17.594 102 HG22 THR 13 2HG2 THR 13 30.854 0.829 17.279 103 HG23 THR 13 3HG2 THR 13 29.629 1.256 16.086 104 H SER 14 H SER 14 29.006 5.189 16.145 105 HA SER 14 HA SER 14 28.751 4.107 13.554 106 HB2 SER 14 1HB SER 14 28.421 7.001 14.373 107 HB3 SER 14 2HB SER 14 27.716 6.215 12.964 108 HG SER 14 HG SER 14 26.412 5.037 14.276 109 H ILE 15 H ILE 15 30.928 6.601 14.866 110 HA ILE 15 HA ILE 15 32.169 7.291 12.431 111 HB ILE 15 HB ILE 15 33.414 7.201 15.194 112 HG12 ILE 15 1HG1 ILE 15 32.098 9.506 13.730 113 HG13 ILE 15 2HG1 ILE 15 31.284 8.539 14.960 114 HG21 ILE 15 1HG2 ILE 15 34.156 8.829 12.741 115 HG22 ILE 15 2HG2 ILE 15 35.046 7.420 13.316 116 HG23 ILE 15 3HG2 ILE 15 34.963 8.876 14.307 117 HD11 ILE 15 1HD1 ILE 15 32.987 9.166 16.612 118 HD12 ILE 15 2HD1 ILE 15 32.255 10.612 15.918 119 HD13 ILE 15 3HD1 ILE 15 33.854 10.092 15.387 120 H LEU 16 H LEU 16 32.800 4.608 14.677 121 HA LEU 16 HA LEU 16 35.074 3.601 13.333 122 HB2 LEU 16 1HB LEU 16 33.033 2.325 15.122 123 HB3 LEU 16 2HB LEU 16 34.229 1.333 14.292 124 HG LEU 16 HG LEU 16 35.999 2.910 15.222 125 HD11 LEU 16 1HD1 LEU 16 33.575 3.828 16.781 126 HD12 LEU 16 2HD1 LEU 16 34.685 4.816 15.831 127 HD13 LEU 16 3HD1 LEU 16 35.224 4.090 17.345 128 HD21 LEU 16 1HD2 LEU 16 34.337 1.426 17.280 129 HD22 LEU 16 2HD2 LEU 16 36.066 1.761 17.359 130 HD23 LEU 16 3HD2 LEU 16 35.440 0.638 16.151 131 H LEU 17 H LEU 17 31.617 3.187 12.671 132 HA LEU 17 HA LEU 17 31.870 1.221 10.673 133 HB2 LEU 17 1HB LEU 17 29.887 3.510 10.655 134 HB3 LEU 17 2HB LEU 17 29.741 1.977 9.805 135 HG LEU 17 HG LEU 17 29.917 2.249 12.818 136 HD11 LEU 17 1HD1 LEU 17 27.807 3.161 11.819 137 HD12 LEU 17 2HD1 LEU 17 27.536 1.742 12.829 138 HD13 LEU 17 3HD1 LEU 17 27.526 1.590 11.073 139 HD21 LEU 17 1HD2 LEU 17 28.990 -0.174 12.545 140 HD22 LEU 17 2HD2 LEU 17 30.711 0.097 12.273 141 HD23 LEU 17 3HD2 LEU 17 29.617 -0.059 10.900 142 H LEU 18 H LEU 18 32.349 4.733 10.515 143 HA LEU 18 HA LEU 18 32.765 4.922 7.731 144 HB2 LEU 18 1HB LEU 18 32.612 6.884 9.267 145 HB3 LEU 18 2HB LEU 18 34.228 6.500 9.859 146 HG LEU 18 HG LEU 18 35.040 6.633 7.470 147 HD11 LEU 18 1HD1 LEU 18 32.194 7.587 7.117 148 HD12 LEU 18 2HD1 LEU 18 33.055 6.351 6.198 149 HD13 LEU 18 3HD1 LEU 18 33.475 8.052 5.997 150 HD21 LEU 18 1HD2 LEU 18 35.442 8.496 8.959 151 HD22 LEU 18 2HD2 LEU 18 33.785 9.068 8.771 152 HD23 LEU 18 3HD2 LEU 18 34.908 9.157 7.414 153 H LEU 19 H LEU 19 34.963 3.951 10.345 154 HA LEU 19 HA LEU 19 37.279 3.608 8.769 155 HB2 LEU 19 1HB LEU 19 37.122 3.383 11.298 156 HB3 LEU 19 2HB LEU 19 36.503 1.755 11.020 157 HG LEU 19 HG LEU 19 38.560 1.350 9.576 158 HD11 LEU 19 1HD1 LEU 19 39.381 3.515 9.120 159 HD12 LEU 19 2HD1 LEU 19 40.498 2.897 10.337 160 HD13 LEU 19 3HD1 LEU 19 39.223 4.025 10.800 161 HD21 LEU 19 1HD2 LEU 19 38.248 0.553 11.951 162 HD22 LEU 19 2HD2 LEU 19 39.104 1.998 12.489 163 HD23 LEU 19 3HD2 LEU 19 39.934 0.801 11.494 164 H ALA 20 H ALA 20 34.450 1.532 9.192 165 HA ALA 20 HA ALA 20 35.355 -0.696 7.724 166 HB1 ALA 20 1HB ALA 20 33.119 -0.285 9.039 167 HB2 ALA 20 2HB ALA 20 33.140 -1.388 7.662 168 HB3 ALA 20 3HB ALA 20 32.524 0.253 7.469 169 H CYS 21 H CYS 21 33.909 2.360 6.657 170 HA CYS 21 HA CYS 21 33.747 1.786 3.909 171 HB2 CYS 21 1HB CYS 21 33.052 3.913 5.364 172 HB3 CYS 21 2HB CYS 21 34.588 4.522 4.749 173 HG CYS 21 HG CYS 21 33.133 5.102 2.788 174 H ILE 22 H ILE 22 36.458 2.940 5.883 175 HA ILE 22 HA ILE 22 38.304 3.338 3.792 176 HB ILE 22 HB ILE 22 38.924 2.340 6.578 177 HG12 ILE 22 1HG1 ILE 22 37.568 4.368 6.718 178 HG13 ILE 22 2HG1 ILE 22 39.235 4.738 7.135 179 HG21 ILE 22 1HG2 ILE 22 40.833 2.165 5.110 180 HG22 ILE 22 2HG2 ILE 22 41.072 3.560 6.160 181 HG23 ILE 22 3HG2 ILE 22 40.560 3.792 4.489 182 HD11 ILE 22 1HD1 ILE 22 39.090 6.412 5.626 183 HD12 ILE 22 2HD1 ILE 22 37.591 5.777 4.955 184 HD13 ILE 22 3HD1 ILE 22 39.141 5.175 4.373 185 H PHE 23 H PHE 23 37.348 0.377 5.521 186 HA PHE 23 HA PHE 23 39.252 -1.337 4.367 187 HB2 PHE 23 1HB PHE 23 37.649 -1.968 6.175 188 HB3 PHE 23 2HB PHE 23 36.381 -2.042 4.966 189 HD1 PHE 23 HD1 PHE 23 39.497 -3.605 6.185 190 HD2 PHE 23 HD2 PHE 23 36.226 -3.885 3.415 191 HE1 PHE 23 HE1 PHE 23 40.123 -5.953 5.682 192 HE2 PHE 23 HE2 PHE 23 36.852 -6.232 2.913 193 HZ PHE 23 HZ PHE 23 38.800 -7.266 4.047 194 H LEU 24 H LEU 24 36.137 -0.189 3.076 195 HA LEU 24 HA LEU 24 36.125 -1.811 0.787 196 HB2 LEU 24 1HB LEU 24 34.869 0.834 1.421 197 HB3 LEU 24 2HB LEU 24 34.765 0.179 -0.211 198 HG LEU 24 HG LEU 24 33.899 -1.971 0.818 199 HD11 LEU 24 1HD1 LEU 24 32.831 -1.521 3.135 200 HD12 LEU 24 2HD1 LEU 24 33.978 -0.188 3.245 201 HD13 LEU 24 3HD1 LEU 24 34.564 -1.842 3.080 202 HD21 LEU 24 1HD2 LEU 24 31.633 -1.121 1.047 203 HD22 LEU 24 2HD2 LEU 24 32.447 -0.202 -0.220 204 HD23 LEU 24 3HD2 LEU 24 32.237 0.502 1.384 205 H ILE 25 H ILE 25 37.604 1.454 1.165 206 HA ILE 25 HA ILE 25 38.537 1.527 -1.494 207 HB ILE 25 HB ILE 25 40.099 3.235 -0.878 208 HG12 ILE 25 1HG1 ILE 25 39.377 3.003 2.023 209 HG13 ILE 25 2HG1 ILE 25 40.666 1.981 1.389 210 HG21 ILE 25 1HG2 ILE 25 37.625 3.608 0.813 211 HG22 ILE 25 2HG2 ILE 25 37.585 3.633 -0.950 212 HG23 ILE 25 3HG2 ILE 25 38.531 4.835 -0.071 213 HD11 ILE 25 1HD1 ILE 25 40.579 4.977 0.976 214 HD12 ILE 25 2HD1 ILE 25 41.934 3.890 0.677 215 HD13 ILE 25 3HD1 ILE 25 41.415 4.219 2.331 216 H ALA 26 H ALA 26 39.882 -0.110 1.325 217 HA ALA 26 HA ALA 26 42.326 -0.885 0.202 218 HB1 ALA 26 1HB ALA 26 40.734 -2.850 1.804 219 HB2 ALA 26 2HB ALA 26 41.253 -1.348 2.568 220 HB3 ALA 26 3HB ALA 26 42.451 -2.457 1.899 221 H ILE 27 H ILE 27 39.084 -2.317 -0.165 222 HA ILE 27 HA ILE 27 39.835 -4.517 -1.750 223 HB ILE 27 HB ILE 27 37.279 -2.897 -1.924 224 HG12 ILE 27 1HG1 ILE 27 37.887 -5.382 -0.294 225 HG13 ILE 27 2HG1 ILE 27 37.867 -3.749 0.373 226 HG21 ILE 27 1HG2 ILE 27 37.692 -4.487 -3.815 227 HG22 ILE 27 2HG2 ILE 27 36.301 -4.935 -2.830 228 HG23 ILE 27 3HG2 ILE 27 37.829 -5.793 -2.638 229 HD11 ILE 27 1HD1 ILE 27 35.571 -5.345 -0.754 230 HD12 ILE 27 2HD1 ILE 27 35.489 -3.587 -0.651 231 HD13 ILE 27 3HD1 ILE 27 35.692 -4.546 0.815 232 H LEU 28 H LEU 28 39.196 -1.133 -2.632 233 HA LEU 28 HA LEU 28 39.492 -1.430 -5.425 234 HB2 LEU 28 1HB LEU 28 40.402 0.953 -3.796 235 HB3 LEU 28 2HB LEU 28 40.026 0.926 -5.513 236 HG LEU 28 HG LEU 28 38.038 0.289 -3.314 237 HD11 LEU 28 1HD1 LEU 28 38.409 2.774 -5.016 238 HD12 LEU 28 2HD1 LEU 28 38.665 2.659 -3.275 239 HD13 LEU 28 3HD1 LEU 28 37.042 2.483 -3.941 240 HD21 LEU 28 1HD2 LEU 28 37.920 0.421 -6.323 241 HD22 LEU 28 2HD2 LEU 28 36.477 0.737 -5.361 242 HD23 LEU 28 3HD2 LEU 28 37.287 -0.824 -5.247 243 H ALA 29 H ALA 29 41.910 -1.175 -2.855 244 HA ALA 29 HA ALA 29 44.208 -1.036 -4.470 245 HB1 ALA 29 1HB ALA 29 43.899 -0.996 -1.848 246 HB2 ALA 29 2HB ALA 29 45.412 -1.551 -2.567 247 HB3 ALA 29 3HB ALA 29 44.221 -2.723 -2.001 248 H ALA 30 H ALA 30 42.233 -3.802 -3.482 249 HA ALA 30 HA ALA 30 43.887 -5.853 -4.464 250 HB1 ALA 30 1HB ALA 30 41.660 -5.962 -3.098 251 HB2 ALA 30 2HB ALA 30 42.057 -7.270 -4.212 252 HB3 ALA 30 3HB ALA 30 40.900 -6.028 -4.689 253 H SER 31 H SER 31 41.389 -3.915 -6.101 254 HA SER 31 HA SER 31 41.601 -5.138 -8.626 255 HB2 SER 31 1HB SER 31 40.473 -3.287 -9.511 256 HB3 SER 31 2HB SER 31 39.943 -3.326 -7.835 257 HG SER 31 HG SER 31 41.472 -1.485 -9.189 258 H ALA 32 H ALA 32 43.632 -2.660 -7.104 259 HA ALA 32 HA ALA 32 45.226 -2.042 -9.334 260 HB1 ALA 32 1HB ALA 32 46.759 -1.108 -7.809 261 HB2 ALA 32 2HB ALA 32 46.321 -2.247 -6.536 262 HB3 ALA 32 3HB ALA 32 45.202 -0.962 -6.993 263 H LEU 33 H LEU 33 45.455 -4.689 -6.972 264 HA LEU 33 HA LEU 33 47.914 -5.737 -7.877 265 HB2 LEU 33 1HB LEU 33 45.566 -6.901 -6.420 266 HB3 LEU 33 2HB LEU 33 46.805 -7.985 -7.034 267 HG LEU 33 HG LEU 33 47.182 -7.314 -4.673 268 HD11 LEU 33 1HD1 LEU 33 49.373 -6.058 -6.294 269 HD12 LEU 33 2HD1 LEU 33 49.034 -7.782 -6.449 270 HD13 LEU 33 3HD1 LEU 33 49.493 -7.111 -4.884 271 HD21 LEU 33 1HD2 LEU 33 47.910 -5.021 -4.161 272 HD22 LEU 33 2HD2 LEU 33 46.266 -5.028 -4.793 273 HD23 LEU 33 3HD2 LEU 33 47.607 -4.543 -5.831 274 H TRP 34 H TRP 34 44.592 -6.282 -9.024 275 HA TRP 34 HA TRP 34 45.231 -8.190 -11.004 276 HB2 TRP 34 1HB TRP 34 43.060 -6.128 -10.831 277 HB3 TRP 34 2HB TRP 34 43.247 -7.128 -12.256 278 HD1 TRP 34 HD1 TRP 34 41.857 -7.112 -8.797 279 HE1 TRP 34 HE1 TRP 34 40.825 -9.408 -8.255 280 HE3 TRP 34 HE3 TRP 34 43.624 -9.825 -12.745 281 HZ2 TRP 34 HZ2 TRP 34 40.756 -12.055 -9.353 282 HZ3 TRP 34 HZ3 TRP 34 43.063 -12.225 -12.973 283 HH2 TRP 34 HH2 TRP 34 41.634 -13.344 -11.286 284 H ALA 35 H ALA 35 45.593 -4.683 -10.994 285 HA ALA 35 HA ALA 35 46.314 -4.330 -13.691 286 HB1 ALA 35 1HB ALA 35 45.998 -2.585 -11.767 287 HB2 ALA 35 2HB ALA 35 47.145 -2.248 -13.063 288 HB3 ALA 35 3HB ALA 35 47.723 -2.836 -11.505 289 H ALA 36 H ALA 36 48.248 -5.319 -10.890 290 HA ALA 36 HA ALA 36 50.726 -5.588 -12.196 291 HB1 ALA 36 1HB ALA 36 49.847 -7.554 -10.108 292 HB2 ALA 36 2HB ALA 36 50.084 -5.860 -9.679 293 HB3 ALA 36 3HB ALA 36 51.425 -6.799 -10.337 294 H ALA 37 H ALA 37 47.978 -7.818 -11.992 295 HA ALA 37 HA ALA 37 49.110 -10.023 -13.284 296 HB1 ALA 37 1HB ALA 37 46.940 -10.829 -13.528 297 HB2 ALA 37 2HB ALA 37 46.266 -9.222 -13.803 298 HB3 ALA 37 3HB ALA 37 46.769 -9.701 -12.182 299 H TRP 38 H TRP 38 47.778 -7.058 -14.653 300 HA TRP 38 HA TRP 38 47.635 -7.755 -17.331 301 HB2 TRP 38 1HB TRP 38 46.908 -5.593 -16.362 302 HB3 TRP 38 2HB TRP 38 48.589 -5.117 -16.228 303 HD1 TRP 38 HD1 TRP 38 49.667 -4.016 -18.265 304 HE1 TRP 38 HE1 TRP 38 48.916 -3.540 -20.684 305 HE3 TRP 38 HE3 TRP 38 45.320 -6.692 -18.381 306 HZ2 TRP 38 HZ2 TRP 38 46.753 -4.206 -22.439 307 HZ3 TRP 38 HZ3 TRP 38 43.937 -6.755 -20.433 308 HH2 TRP 38 HH2 TRP 38 44.645 -5.518 -22.460 309 H HIS 39 H HIS 39 50.523 -7.246 -15.411 310 HA HIS 39 HA HIS 39 52.359 -6.593 -17.417 311 HB2 HIS 39 1HB HIS 39 52.686 -8.205 -14.891 312 HB3 HIS 39 2HB HIS 39 54.032 -7.755 -15.920 313 HD1 HIS 39 HD1 HIS 39 52.567 -6.734 -12.921 314 HD2 HIS 39 HD2 HIS 39 53.758 -4.630 -16.318 315 HE1 HIS 39 HE1 HIS 39 52.873 -4.328 -12.201 316 H GLY 40 H GLY 40 53.592 -7.772 -18.836 317 HA2 GLY 40 1HA GLY 40 52.591 -10.152 -19.932 318 HA3 GLY 40 2HA GLY 40 54.211 -9.517 -20.203 319 H GLN 41 H GLN 41 53.146 -12.311 -19.688 320 HA GLN 41 HA GLN 41 53.968 -13.257 -17.189 321 HB2 GLN 41 1HB GLN 41 54.044 -14.612 -19.890 322 HB3 GLN 41 2HB GLN 41 54.281 -15.443 -18.351 323 HG2 GLN 41 1HG GLN 41 52.060 -14.752 -17.598 324 HG3 GLN 41 2HG GLN 41 51.819 -13.834 -19.082 325 HE21 GLN 41 1HE2 GLN 41 50.054 -15.965 -18.307 326 HE22 GLN 41 2HE2 GLN 41 50.222 -17.224 -19.433 327 H LYS 42 H LYS 42 55.907 -12.289 -19.947 328 HA LYS 42 HA LYS 42 58.299 -13.600 -19.391 329 HB2 LYS 42 1HB LYS 42 57.606 -11.001 -20.713 330 HB3 LYS 42 2HB LYS 42 59.298 -11.378 -20.394 331 HG2 LYS 42 1HG LYS 42 59.284 -13.250 -21.800 332 HG3 LYS 42 2HG LYS 42 57.530 -13.418 -21.719 333 HD2 LYS 42 1HD LYS 42 57.494 -11.080 -22.875 334 HD3 LYS 42 2HD LYS 42 59.164 -11.452 -23.308 335 HE2 LYS 42 1HE LYS 42 58.347 -13.634 -24.269 336 HE3 LYS 42 2HE LYS 42 56.699 -13.071 -23.998 337 HZ1 LYS 42 1HZ LYS 42 56.936 -12.235 -26.050 338 HZ2 LYS 42 2HZ LYS 42 58.634 -12.247 -25.987 339 HZ3 LYS 42 3HZ LYS 42 57.763 -10.979 -25.266 340 HA PRO 43 HA PRO 43 59.616 -11.959 -15.498 341 HB2 PRO 43 1HB PRO 43 62.343 -11.574 -15.958 342 HB3 PRO 43 2HB PRO 43 61.592 -13.100 -15.464 343 HG2 PRO 43 1HG PRO 43 62.439 -12.200 -18.159 344 HG3 PRO 43 2HG PRO 43 62.513 -13.813 -17.426 345 HD2 PRO 43 1HD PRO 43 60.620 -13.186 -19.246 346 HD3 PRO 43 2HD PRO 43 60.280 -14.283 -17.889 347 H GLY 44 H GLY 44 59.938 -9.971 -14.509 348 HA2 GLY 44 1HA GLY 44 59.345 -7.650 -15.939 349 HA3 GLY 44 2HA GLY 44 60.013 -7.684 -14.314 350 H THR 45 H THR 45 62.465 -9.140 -15.362 351 HA THR 45 HA THR 45 64.148 -6.923 -15.600 352 HB THR 45 HB THR 45 64.699 -9.706 -16.647 353 HG1 THR 45 HG1 THR 45 63.946 -9.615 -14.458 354 HG21 THR 45 1HG2 THR 45 66.364 -7.305 -15.949 355 HG22 THR 45 2HG2 THR 45 66.499 -8.388 -17.335 356 HG23 THR 45 3HG2 THR 45 67.039 -8.922 -15.743 357 H HIS 46 H HIS 46 62.344 -8.604 -18.090 358 HA HIS 46 HA HIS 46 63.810 -7.163 -20.195 359 HB2 HIS 46 1HB HIS 46 63.411 -9.588 -20.476 360 HB3 HIS 46 2HB HIS 46 61.683 -9.297 -20.411 361 HD1 HIS 46 HD1 HIS 46 64.649 -8.069 -22.488 362 HD2 HIS 46 HD2 HIS 46 60.616 -9.028 -22.932 363 HE1 HIS 46 HE1 HIS 46 64.119 -7.806 -24.948 Start of MODEL 7 1 H ARG 1 3H ARG 1 18.748 29.761 17.863 2 HA ARG 1 HA ARG 1 19.878 28.202 18.925 3 HB2 ARG 1 1HB ARG 1 18.429 26.328 17.030 4 HB3 ARG 1 2HB ARG 1 19.239 25.840 18.519 5 HG2 ARG 1 1HG ARG 1 17.740 27.370 19.795 6 HG3 ARG 1 2HG ARG 1 16.883 27.735 18.298 7 HD2 ARG 1 1HD ARG 1 16.452 25.260 18.042 8 HD3 ARG 1 2HD ARG 1 17.114 25.041 19.658 9 HE ARG 1 HE ARG 1 15.198 26.045 20.551 10 HH11 ARG 1 1HH1 ARG 1 15.132 26.291 17.049 11 HH12 ARG 1 2HH1 ARG 1 13.466 26.765 17.015 12 HH21 ARG 1 1HH2 ARG 1 13.057 26.659 20.443 13 HH22 ARG 1 2HH2 ARG 1 12.308 26.970 18.913 14 H SER 2 H SER 2 22.022 28.418 18.548 15 HA SER 2 HA SER 2 23.355 28.043 16.117 16 HB2 SER 2 1HB SER 2 25.394 28.013 17.418 17 HB3 SER 2 2HB SER 2 24.288 29.190 18.118 18 HG SER 2 HG SER 2 24.588 28.072 19.879 19 H LEU 3 H LEU 3 22.272 25.663 18.440 20 HA LEU 3 HA LEU 3 23.998 23.541 17.885 21 HB2 LEU 3 1HB LEU 3 22.309 23.612 19.711 22 HB3 LEU 3 2HB LEU 3 21.045 23.365 18.508 23 HG LEU 3 HG LEU 3 22.229 21.246 17.815 24 HD11 LEU 3 1HD1 LEU 3 23.910 22.029 20.201 25 HD12 LEU 3 2HD1 LEU 3 24.453 21.582 18.584 26 HD13 LEU 3 3HD1 LEU 3 23.788 20.354 19.662 27 HD21 LEU 3 1HD2 LEU 3 20.298 21.127 19.290 28 HD22 LEU 3 2HD2 LEU 3 21.299 21.516 20.689 29 HD23 LEU 3 3HD2 LEU 3 21.509 19.976 19.854 30 H LEU 4 H LEU 4 21.439 24.857 15.911 31 HA LEU 4 HA LEU 4 20.734 22.605 14.395 32 HB2 LEU 4 1HB LEU 4 20.853 25.496 13.514 33 HB3 LEU 4 2HB LEU 4 19.952 24.209 12.714 34 HG LEU 4 HG LEU 4 19.505 25.092 15.581 35 HD11 LEU 4 1HD1 LEU 4 18.774 26.869 14.137 36 HD12 LEU 4 2HD1 LEU 4 17.332 25.966 14.599 37 HD13 LEU 4 3HD1 LEU 4 18.047 25.729 13.004 38 HD21 LEU 4 1HD2 LEU 4 18.819 22.823 15.365 39 HD22 LEU 4 2HD2 LEU 4 18.175 23.092 13.745 40 HD23 LEU 4 3HD2 LEU 4 17.342 23.761 15.147 41 H GLU 5 H GLU 5 23.609 24.577 14.273 42 HA GLU 5 HA GLU 5 24.337 23.979 11.578 43 HB2 GLU 5 1HB GLU 5 26.009 24.890 13.925 44 HB3 GLU 5 2HB GLU 5 26.574 24.824 12.255 45 HG2 GLU 5 1HG GLU 5 24.721 26.348 11.597 46 HG3 GLU 5 2HG GLU 5 24.240 26.462 13.285 47 H GLY 6 H GLY 6 24.758 22.236 14.584 48 HA2 GLY 6 1HA GLY 6 25.472 20.082 14.962 49 HA3 GLY 6 2HA GLY 6 25.461 19.847 13.220 50 H GLU 7 H GLU 7 27.400 22.387 14.682 51 HA GLU 7 HA GLU 7 29.752 21.626 13.375 52 HB2 GLU 7 1HB GLU 7 29.397 23.282 15.880 53 HB3 GLU 7 2HB GLU 7 30.889 23.180 14.943 54 HG2 GLU 7 1HG GLU 7 29.651 23.984 12.941 55 HG3 GLU 7 2HG GLU 7 28.208 24.162 13.928 56 H ILE 8 H ILE 8 28.441 20.490 16.424 57 HA ILE 8 HA ILE 8 30.760 19.578 17.666 58 HB ILE 8 HB ILE 8 28.000 18.329 17.694 59 HG12 ILE 8 1HG1 ILE 8 29.262 20.312 19.609 60 HG13 ILE 8 2HG1 ILE 8 28.140 20.765 18.326 61 HG21 ILE 8 1HG2 ILE 8 29.813 16.860 18.594 62 HG22 ILE 8 2HG2 ILE 8 28.660 17.362 19.830 63 HG23 ILE 8 3HG2 ILE 8 30.240 18.140 19.729 64 HD11 ILE 8 1HD1 ILE 8 26.511 19.080 19.329 65 HD12 ILE 8 2HD1 ILE 8 26.815 20.520 20.301 66 HD13 ILE 8 3HD1 ILE 8 27.596 18.995 20.717 67 HA PRO 9 HA PRO 9 32.111 16.279 14.928 68 HB2 PRO 9 1HB PRO 9 32.856 14.739 17.360 69 HB3 PRO 9 2HB PRO 9 33.852 15.211 15.970 70 HG2 PRO 9 1HG PRO 9 34.115 16.404 18.328 71 HG3 PRO 9 2HG PRO 9 34.273 17.305 16.808 72 HD2 PRO 9 1HD PRO 9 31.979 17.254 18.730 73 HD3 PRO 9 2HD PRO 9 32.618 18.609 17.772 74 H PHE 10 H PHE 10 31.215 14.442 14.060 75 HA PHE 10 HA PHE 10 28.748 13.435 14.881 76 HB2 PHE 10 1HB PHE 10 30.926 12.175 13.217 77 HB3 PHE 10 2HB PHE 10 29.340 11.458 13.431 78 HD1 PHE 10 HD1 PHE 10 31.253 14.189 11.886 79 HD2 PHE 10 HD2 PHE 10 27.358 12.449 12.393 80 HE1 PHE 10 HE1 PHE 10 30.393 15.569 10.015 81 HE2 PHE 10 HE2 PHE 10 26.498 13.830 10.520 82 HZ PHE 10 HZ PHE 10 28.015 15.389 9.331 83 HA PRO 11 HA PRO 11 29.647 10.984 18.426 84 HB2 PRO 11 1HB PRO 11 28.008 8.765 17.299 85 HB3 PRO 11 2HB PRO 11 27.847 9.611 18.848 86 HG2 PRO 11 1HG PRO 11 26.158 10.044 16.836 87 HG3 PRO 11 2HG PRO 11 26.655 11.341 17.939 88 HD2 PRO 11 1HD PRO 11 27.514 10.842 15.121 89 HD3 PRO 11 2HD PRO 11 27.306 12.381 15.984 90 HA PRO 12 HA PRO 12 33.119 8.632 17.088 91 HB2 PRO 12 1HB PRO 12 33.427 6.805 19.166 92 HB3 PRO 12 2HB PRO 12 34.026 8.472 19.176 93 HG2 PRO 12 1HG PRO 12 31.586 7.335 20.421 94 HG3 PRO 12 2HG PRO 12 32.677 8.602 21.011 95 HD2 PRO 12 1HD PRO 12 30.260 9.190 19.939 96 HD3 PRO 12 2HD PRO 12 31.663 10.266 19.748 97 H THR 13 H THR 13 30.274 6.808 18.175 98 HA THR 13 HA THR 13 30.953 4.313 17.060 99 HB THR 13 HB THR 13 28.549 3.840 17.090 100 HG1 THR 13 HG1 THR 13 27.411 5.521 16.542 101 HG21 THR 13 1HG2 THR 13 29.972 3.999 19.221 102 HG22 THR 13 2HG2 THR 13 28.223 4.079 19.430 103 HG23 THR 13 3HG2 THR 13 29.187 5.554 19.493 104 H SER 14 H SER 14 29.423 7.179 15.600 105 HA SER 14 HA SER 14 28.907 6.033 13.069 106 HB2 SER 14 1HB SER 14 28.673 8.260 12.261 107 HB3 SER 14 2HB SER 14 28.112 8.291 13.929 108 HG SER 14 HG SER 14 30.332 9.443 12.752 109 H ILE 15 H ILE 15 31.796 7.582 14.426 110 HA ILE 15 HA ILE 15 33.364 7.574 12.086 111 HB ILE 15 HB ILE 15 34.343 7.133 14.914 112 HG12 ILE 15 1HG1 ILE 15 32.934 9.140 14.820 113 HG13 ILE 15 2HG1 ILE 15 34.625 9.591 14.991 114 HG21 ILE 15 1HG2 ILE 15 36.339 8.420 13.909 115 HG22 ILE 15 2HG2 ILE 15 35.641 8.015 12.341 116 HG23 ILE 15 3HG2 ILE 15 36.141 6.731 13.441 117 HD11 ILE 15 1HD1 ILE 15 34.736 9.992 12.530 118 HD12 ILE 15 2HD1 ILE 15 33.552 11.024 13.328 119 HD13 ILE 15 3HD1 ILE 15 33.017 9.613 12.419 120 H LEU 16 H LEU 16 32.692 5.000 14.431 121 HA LEU 16 HA LEU 16 34.536 3.105 13.457 122 HB2 LEU 16 1HB LEU 16 33.180 2.840 15.536 123 HB3 LEU 16 2HB LEU 16 31.763 2.540 14.530 124 HG LEU 16 HG LEU 16 33.067 0.660 13.433 125 HD11 LEU 16 1HD1 LEU 16 35.321 1.161 13.956 126 HD12 LEU 16 2HD1 LEU 16 34.933 -0.209 14.997 127 HD13 LEU 16 3HD1 LEU 16 34.955 1.424 15.661 128 HD21 LEU 16 1HD2 LEU 16 32.388 0.608 16.382 129 HD22 LEU 16 2HD2 LEU 16 32.830 -0.845 15.486 130 HD23 LEU 16 3HD2 LEU 16 31.391 0.066 15.033 131 H LEU 17 H LEU 17 31.270 3.957 12.352 132 HA LEU 17 HA LEU 17 31.025 1.994 10.349 133 HB2 LEU 17 1HB LEU 17 29.391 3.909 11.220 134 HB3 LEU 17 2HB LEU 17 30.036 4.769 9.831 135 HG LEU 17 HG LEU 17 28.000 3.640 9.175 136 HD11 LEU 17 1HD1 LEU 17 28.740 2.619 7.226 137 HD12 LEU 17 2HD1 LEU 17 30.091 1.823 8.032 138 HD13 LEU 17 3HD1 LEU 17 30.163 3.551 7.690 139 HD21 LEU 17 1HD2 LEU 17 28.399 1.852 11.063 140 HD22 LEU 17 2HD2 LEU 17 29.180 0.948 9.766 141 HD23 LEU 17 3HD2 LEU 17 27.487 1.418 9.617 142 H LEU 18 H LEU 18 32.635 5.160 10.300 143 HA LEU 18 HA LEU 18 33.376 5.141 7.580 144 HB2 LEU 18 1HB LEU 18 34.965 6.311 9.874 145 HB3 LEU 18 2HB LEU 18 35.113 6.732 8.173 146 HG LEU 18 HG LEU 18 32.582 7.074 9.807 147 HD11 LEU 18 1HD1 LEU 18 34.678 8.563 10.294 148 HD12 LEU 18 2HD1 LEU 18 33.115 9.344 10.048 149 HD13 LEU 18 3HD1 LEU 18 34.297 9.304 8.739 150 HD21 LEU 18 1HD2 LEU 18 33.372 7.659 6.956 151 HD22 LEU 18 2HD2 LEU 18 32.106 8.599 7.745 152 HD23 LEU 18 3HD2 LEU 18 31.920 6.856 7.554 153 H LEU 19 H LEU 19 34.850 3.577 10.385 154 HA LEU 19 HA LEU 19 37.231 2.705 9.177 155 HB2 LEU 19 1HB LEU 19 36.554 2.528 11.614 156 HB3 LEU 19 2HB LEU 19 35.624 1.102 11.165 157 HG LEU 19 HG LEU 19 38.484 1.244 10.280 158 HD11 LEU 19 1HD1 LEU 19 37.588 0.567 13.097 159 HD12 LEU 19 2HD1 LEU 19 38.635 1.905 12.627 160 HD13 LEU 19 3HD1 LEU 19 39.195 0.243 12.447 161 HD21 LEU 19 1HD2 LEU 19 38.131 -1.268 11.075 162 HD22 LEU 19 2HD2 LEU 19 37.484 -0.722 9.532 163 HD23 LEU 19 3HD2 LEU 19 36.426 -0.839 10.937 164 H ALA 20 H ALA 20 33.971 1.328 9.110 165 HA ALA 20 HA ALA 20 34.584 -1.023 7.676 166 HB1 ALA 20 1HB ALA 20 32.353 -0.252 8.781 167 HB2 ALA 20 2HB ALA 20 32.288 -1.255 7.332 168 HB3 ALA 20 3HB ALA 20 32.030 0.486 7.211 169 H CYS 21 H CYS 21 33.889 2.267 6.572 170 HA CYS 21 HA CYS 21 33.610 1.647 3.831 171 HB2 CYS 21 1HB CYS 21 34.491 4.211 5.173 172 HB3 CYS 21 2HB CYS 21 34.068 4.068 3.467 173 HG CYS 21 HG CYS 21 31.943 3.238 5.591 174 H ILE 22 H ILE 22 36.441 2.755 5.692 175 HA ILE 22 HA ILE 22 38.194 2.841 3.475 176 HB ILE 22 HB ILE 22 40.032 2.757 5.121 177 HG12 ILE 22 1HG1 ILE 22 37.842 2.512 7.187 178 HG13 ILE 22 2HG1 ILE 22 38.827 1.142 6.669 179 HG21 ILE 22 1HG2 ILE 22 39.541 4.869 6.093 180 HG22 ILE 22 2HG2 ILE 22 37.811 4.529 6.146 181 HG23 ILE 22 3HG2 ILE 22 38.604 4.827 4.599 182 HD11 ILE 22 1HD1 ILE 22 39.921 3.720 7.833 183 HD12 ILE 22 2HD1 ILE 22 40.861 2.295 7.389 184 HD13 ILE 22 3HD1 ILE 22 39.720 2.216 8.732 185 H PHE 23 H PHE 23 37.244 0.151 5.591 186 HA PHE 23 HA PHE 23 39.095 -1.738 4.669 187 HB2 PHE 23 1HB PHE 23 37.476 -2.114 6.507 188 HB3 PHE 23 2HB PHE 23 36.184 -2.209 5.325 189 HD1 PHE 23 HD1 PHE 23 39.232 -3.863 6.619 190 HD2 PHE 23 HD2 PHE 23 35.837 -4.194 4.006 191 HE1 PHE 23 HE1 PHE 23 39.675 -6.288 6.349 192 HE2 PHE 23 HE2 PHE 23 36.281 -6.619 3.738 193 HZ PHE 23 HZ PHE 23 38.200 -7.666 4.909 194 H LEU 24 H LEU 24 36.011 -0.689 3.208 195 HA LEU 24 HA LEU 24 36.056 -2.393 0.985 196 HB2 LEU 24 1HB LEU 24 34.209 -0.824 1.670 197 HB3 LEU 24 2HB LEU 24 35.146 0.489 0.962 198 HG LEU 24 HG LEU 24 34.655 -1.951 -0.711 199 HD11 LEU 24 1HD1 LEU 24 32.446 -1.376 0.306 200 HD12 LEU 24 2HD1 LEU 24 32.485 -1.119 -1.438 201 HD13 LEU 24 3HD1 LEU 24 32.609 0.257 -0.342 202 HD21 LEU 24 1HD2 LEU 24 34.333 0.101 -2.371 203 HD22 LEU 24 2HD2 LEU 24 35.945 -0.402 -1.874 204 HD23 LEU 24 3HD2 LEU 24 35.176 0.979 -1.095 205 H ILE 25 H ILE 25 37.690 0.729 1.489 206 HA ILE 25 HA ILE 25 38.857 0.934 -1.057 207 HB ILE 25 HB ILE 25 40.156 1.799 1.531 208 HG12 ILE 25 1HG1 ILE 25 37.861 2.674 1.410 209 HG13 ILE 25 2HG1 ILE 25 39.027 3.966 1.148 210 HG21 ILE 25 1HG2 ILE 25 41.186 3.514 0.076 211 HG22 ILE 25 2HG2 ILE 25 40.410 2.772 -1.324 212 HG23 ILE 25 3HG2 ILE 25 41.630 1.880 -0.415 213 HD11 ILE 25 1HD1 ILE 25 37.466 2.499 -1.003 214 HD12 ILE 25 2HD1 ILE 25 38.681 3.739 -1.313 215 HD13 ILE 25 3HD1 ILE 25 37.194 4.154 -0.462 216 H ALA 26 H ALA 26 39.806 -1.033 1.708 217 HA ALA 26 HA ALA 26 42.386 -1.715 0.834 218 HB1 ALA 26 1HB ALA 26 42.391 -3.284 2.527 219 HB2 ALA 26 2HB ALA 26 40.709 -3.739 2.257 220 HB3 ALA 26 3HB ALA 26 41.093 -2.226 3.077 221 H ILE 27 H ILE 27 39.325 -3.552 0.392 222 HA ILE 27 HA ILE 27 40.489 -5.515 -1.269 223 HB ILE 27 HB ILE 27 38.284 -5.799 -0.219 224 HG12 ILE 27 1HG1 ILE 27 37.995 -5.965 -3.219 225 HG13 ILE 27 2HG1 ILE 27 39.083 -7.027 -2.326 226 HG21 ILE 27 1HG2 ILE 27 37.223 -3.694 -0.451 227 HG22 ILE 27 2HG2 ILE 27 36.318 -4.785 -1.497 228 HG23 ILE 27 3HG2 ILE 27 37.479 -3.660 -2.196 229 HD11 ILE 27 1HD1 ILE 27 36.954 -8.160 -2.574 230 HD12 ILE 27 2HD1 ILE 27 36.089 -6.758 -1.941 231 HD13 ILE 27 3HD1 ILE 27 37.141 -7.698 -0.882 232 H LEU 28 H LEU 28 39.256 -2.291 -2.028 233 HA LEU 28 HA LEU 28 39.367 -2.472 -4.835 234 HB2 LEU 28 1HB LEU 28 38.462 -0.564 -3.448 235 HB3 LEU 28 2HB LEU 28 40.126 -0.047 -3.200 236 HG LEU 28 HG LEU 28 39.234 -0.577 -6.013 237 HD11 LEU 28 1HD1 LEU 28 38.577 1.961 -4.485 238 HD12 LEU 28 2HD1 LEU 28 37.400 0.773 -5.042 239 HD13 LEU 28 3HD1 LEU 28 38.334 1.702 -6.213 240 HD21 LEU 28 1HD2 LEU 28 41.469 0.074 -5.958 241 HD22 LEU 28 2HD2 LEU 28 41.237 1.123 -4.563 242 HD23 LEU 28 3HD2 LEU 28 40.692 1.641 -6.157 243 H ALA 29 H ALA 29 41.922 -1.918 -2.445 244 HA ALA 29 HA ALA 29 44.023 -1.364 -4.227 245 HB1 ALA 29 1HB ALA 29 44.522 -3.041 -1.801 246 HB2 ALA 29 2HB ALA 29 43.915 -1.399 -1.590 247 HB3 ALA 29 3HB ALA 29 45.442 -1.674 -2.428 248 H ALA 30 H ALA 30 42.671 -4.444 -3.120 249 HA ALA 30 HA ALA 30 44.592 -6.147 -4.274 250 HB1 ALA 30 1HB ALA 30 42.504 -6.635 -2.728 251 HB2 ALA 30 2HB ALA 30 43.132 -7.878 -3.810 252 HB3 ALA 30 3HB ALA 30 41.710 -6.943 -4.272 253 H SER 31 H SER 31 41.619 -4.751 -5.642 254 HA SER 31 HA SER 31 41.803 -5.956 -8.178 255 HB2 SER 31 1HB SER 31 40.243 -4.370 -8.933 256 HB3 SER 31 2HB SER 31 39.892 -4.536 -7.217 257 HG SER 31 HG SER 31 40.249 -2.470 -7.123 258 H ALA 32 H ALA 32 43.419 -3.081 -6.882 259 HA ALA 32 HA ALA 32 44.553 -2.159 -9.282 260 HB1 ALA 32 1HB ALA 32 45.998 -0.866 -7.950 261 HB2 ALA 32 2HB ALA 32 45.998 -2.052 -6.644 262 HB3 ALA 32 3HB ALA 32 44.564 -1.069 -6.943 263 H LEU 33 H LEU 33 45.650 -4.648 -6.995 264 HA LEU 33 HA LEU 33 48.170 -5.110 -8.173 265 HB2 LEU 33 1HB LEU 33 46.317 -6.732 -6.472 266 HB3 LEU 33 2HB LEU 33 47.663 -7.554 -7.247 267 HG LEU 33 HG LEU 33 48.192 -6.792 -4.947 268 HD11 LEU 33 1HD1 LEU 33 49.857 -5.142 -6.822 269 HD12 LEU 33 2HD1 LEU 33 49.865 -6.901 -6.938 270 HD13 LEU 33 3HD1 LEU 33 50.368 -6.115 -5.442 271 HD21 LEU 33 1HD2 LEU 33 46.830 -4.746 -4.900 272 HD22 LEU 33 2HD2 LEU 33 47.881 -4.005 -6.107 273 HD23 LEU 33 3HD2 LEU 33 48.510 -4.389 -4.506 274 H TRP 34 H TRP 34 44.962 -6.435 -8.953 275 HA TRP 34 HA TRP 34 45.806 -8.152 -11.028 276 HB2 TRP 34 1HB TRP 34 43.241 -6.652 -10.600 277 HB3 TRP 34 2HB TRP 34 43.498 -7.651 -12.015 278 HD1 TRP 34 HD1 TRP 34 42.261 -7.804 -8.573 279 HE1 TRP 34 HE1 TRP 34 41.985 -10.245 -7.800 280 HE3 TRP 34 HE3 TRP 34 44.843 -10.194 -12.271 281 HZ2 TRP 34 HZ2 TRP 34 42.759 -12.872 -8.640 282 HZ3 TRP 34 HZ3 TRP 34 45.060 -12.659 -12.262 283 HH2 TRP 34 HH2 TRP 34 44.024 -14.002 -10.455 284 H ALA 35 H ALA 35 45.309 -4.663 -10.995 285 HA ALA 35 HA ALA 35 45.602 -4.174 -13.749 286 HB1 ALA 35 1HB ALA 35 45.886 -1.950 -13.183 287 HB2 ALA 35 2HB ALA 35 46.859 -2.326 -11.760 288 HB3 ALA 35 3HB ALA 35 45.111 -2.558 -11.719 289 H ALA 36 H ALA 36 48.030 -4.628 -11.209 290 HA ALA 36 HA ALA 36 50.326 -4.210 -12.777 291 HB1 ALA 36 1HB ALA 36 50.281 -6.356 -10.690 292 HB2 ALA 36 2HB ALA 36 50.041 -4.676 -10.210 293 HB3 ALA 36 3HB ALA 36 51.525 -5.155 -11.034 294 H ALA 37 H ALA 37 48.333 -7.115 -12.351 295 HA ALA 37 HA ALA 37 49.881 -8.907 -13.842 296 HB1 ALA 37 1HB ALA 37 46.879 -8.917 -13.966 297 HB2 ALA 37 2HB ALA 37 47.725 -9.309 -12.469 298 HB3 ALA 37 3HB ALA 37 47.991 -10.285 -13.914 299 H TRP 38 H TRP 38 47.582 -6.462 -14.941 300 HA TRP 38 HA TRP 38 47.381 -7.146 -17.620 301 HB2 TRP 38 1HB TRP 38 46.126 -5.329 -16.484 302 HB3 TRP 38 2HB TRP 38 47.576 -4.346 -16.525 303 HD1 TRP 38 HD1 TRP 38 47.962 -2.933 -18.611 304 HE1 TRP 38 HE1 TRP 38 46.838 -2.746 -20.922 305 HE3 TRP 38 HE3 TRP 38 44.802 -6.937 -18.381 306 HZ2 TRP 38 HZ2 TRP 38 44.857 -4.116 -22.472 307 HZ3 TRP 38 HZ3 TRP 38 43.312 -7.473 -20.283 308 HH2 TRP 38 HH2 TRP 38 43.333 -6.071 -22.327 309 H HIS 39 H HIS 39 50.160 -5.842 -15.970 310 HA HIS 39 HA HIS 39 51.448 -4.501 -18.048 311 HB2 HIS 39 1HB HIS 39 52.617 -6.101 -15.775 312 HB3 HIS 39 2HB HIS 39 53.546 -5.041 -16.819 313 HD1 HIS 39 HD1 HIS 39 53.487 -4.451 -13.835 314 HD2 HIS 39 HD2 HIS 39 50.733 -2.828 -16.511 315 HE1 HIS 39 HE1 HIS 39 52.573 -2.361 -12.740 316 H GLY 40 H GLY 40 51.074 -7.953 -17.567 317 HA2 GLY 40 1HA GLY 40 51.713 -9.749 -18.857 318 HA3 GLY 40 2HA GLY 40 51.843 -8.603 -20.187 319 H GLN 41 H GLN 41 53.705 -9.576 -21.032 320 HA GLN 41 HA GLN 41 56.020 -10.271 -19.633 321 HB2 GLN 41 1HB GLN 41 55.723 -9.247 -22.466 322 HB3 GLN 41 2HB GLN 41 57.178 -10.005 -21.820 323 HG2 GLN 41 1HG GLN 41 55.943 -12.059 -21.348 324 HG3 GLN 41 2HG GLN 41 54.444 -11.310 -21.892 325 HE21 GLN 41 1HE2 GLN 41 55.460 -13.690 -23.121 326 HE22 GLN 41 2HE2 GLN 41 55.921 -13.313 -24.710 327 H LYS 42 H LYS 42 57.916 -9.195 -19.134 328 HA LYS 42 HA LYS 42 57.738 -6.563 -18.257 329 HB2 LYS 42 1HB LYS 42 60.191 -8.188 -18.967 330 HB3 LYS 42 2HB LYS 42 60.228 -6.663 -18.082 331 HG2 LYS 42 1HG LYS 42 59.136 -7.569 -16.214 332 HG3 LYS 42 2HG LYS 42 58.476 -8.920 -17.136 333 HD2 LYS 42 1HD LYS 42 60.224 -9.927 -15.937 334 HD3 LYS 42 2HD LYS 42 60.973 -9.584 -17.497 335 HE2 LYS 42 1HE LYS 42 61.999 -7.568 -16.630 336 HE3 LYS 42 2HE LYS 42 61.132 -7.734 -15.103 337 HZ1 LYS 42 1HZ LYS 42 62.993 -9.797 -16.133 338 HZ2 LYS 42 2HZ LYS 42 62.341 -9.669 -14.570 339 HZ3 LYS 42 3HZ LYS 42 63.492 -8.541 -15.108 340 HA PRO 43 HA PRO 43 58.143 -4.122 -21.942 341 HB2 PRO 43 1HB PRO 43 59.801 -2.065 -21.052 342 HB3 PRO 43 2HB PRO 43 58.042 -2.126 -20.839 343 HG2 PRO 43 1HG PRO 43 60.200 -2.811 -18.921 344 HG3 PRO 43 2HG PRO 43 58.640 -2.016 -18.637 345 HD2 PRO 43 1HD PRO 43 59.027 -4.610 -17.997 346 HD3 PRO 43 2HD PRO 43 57.459 -4.023 -18.601 347 H GLY 44 H GLY 44 59.525 -3.916 -23.695 348 HA2 GLY 44 1HA GLY 44 61.753 -5.585 -23.895 349 HA3 GLY 44 2HA GLY 44 61.381 -4.273 -25.009 350 H THR 45 H THR 45 63.970 -5.234 -23.854 351 HA THR 45 HA THR 45 64.995 -3.505 -21.917 352 HB THR 45 HB THR 45 66.205 -5.489 -22.662 353 HG1 THR 45 HG1 THR 45 68.045 -4.537 -22.300 354 HG21 THR 45 1HG2 THR 45 66.417 -3.962 -25.266 355 HG22 THR 45 2HG2 THR 45 65.661 -5.534 -25.006 356 HG23 THR 45 3HG2 THR 45 67.412 -5.366 -24.880 357 H HIS 46 H HIS 46 66.064 -1.545 -21.989 358 HA HIS 46 HA HIS 46 65.140 0.401 -23.774 359 HB2 HIS 46 1HB HIS 46 67.649 0.411 -22.092 360 HB3 HIS 46 2HB HIS 46 66.940 1.822 -22.855 361 HD1 HIS 46 HD1 HIS 46 66.550 -0.505 -19.962 362 HD2 HIS 46 HD2 HIS 46 64.549 2.774 -21.582 363 HE1 HIS 46 HE1 HIS 46 64.884 0.251 -18.213 Start of MODEL 8 1 H ARG 1 3H ARG 1 18.690 25.540 13.786 2 HA ARG 1 HA ARG 1 18.893 23.143 13.626 3 HB2 ARG 1 1HB ARG 1 21.431 24.572 14.476 4 HB3 ARG 1 2HB ARG 1 21.374 23.057 13.574 5 HG2 ARG 1 1HG ARG 1 20.088 24.213 11.779 6 HG3 ARG 1 2HG ARG 1 20.271 25.729 12.661 7 HD2 ARG 1 1HD ARG 1 22.767 25.386 12.569 8 HD3 ARG 1 2HD ARG 1 22.481 24.017 11.500 9 HE ARG 1 HE ARG 1 21.132 26.014 10.268 10 HH11 ARG 1 1HH1 ARG 1 24.420 25.845 11.486 11 HH12 ARG 1 2HH1 ARG 1 25.019 26.970 10.314 12 HH21 ARG 1 1HH2 ARG 1 21.961 27.457 8.783 13 HH22 ARG 1 2HH2 ARG 1 23.643 27.871 8.803 14 H SER 2 H SER 2 19.275 21.181 14.614 15 HA SER 2 HA SER 2 18.841 20.903 17.359 16 HB2 SER 2 1HB SER 2 18.499 19.110 15.677 17 HB3 SER 2 2HB SER 2 20.246 18.947 15.532 18 HG SER 2 HG SER 2 18.772 18.705 17.952 19 H LEU 3 H LEU 3 21.843 21.458 15.641 20 HA LEU 3 HA LEU 3 23.687 20.439 17.479 21 HB2 LEU 3 1HB LEU 3 23.968 22.900 15.742 22 HB3 LEU 3 2HB LEU 3 25.289 21.994 16.478 23 HG LEU 3 HG LEU 3 23.300 20.836 14.503 24 HD11 LEU 3 1HD1 LEU 3 25.272 20.836 12.959 25 HD12 LEU 3 2HD1 LEU 3 26.166 21.767 14.162 26 HD13 LEU 3 3HD1 LEU 3 24.738 22.461 13.393 27 HD21 LEU 3 1HD2 LEU 3 25.770 19.766 15.887 28 HD22 LEU 3 2HD2 LEU 3 25.117 19.028 14.423 29 HD23 LEU 3 3HD2 LEU 3 24.145 19.083 15.893 30 H LEU 4 H LEU 4 21.717 23.315 17.719 31 HA LEU 4 HA LEU 4 23.282 24.844 19.474 32 HB2 LEU 4 1HB LEU 4 20.352 24.649 18.897 33 HB3 LEU 4 2HB LEU 4 20.881 25.601 20.274 34 HG LEU 4 HG LEU 4 20.597 26.947 18.200 35 HD11 LEU 4 1HD1 LEU 4 22.433 28.301 18.617 36 HD12 LEU 4 2HD1 LEU 4 23.529 26.935 18.815 37 HD13 LEU 4 3HD1 LEU 4 22.375 27.332 20.088 38 HD21 LEU 4 1HD2 LEU 4 21.912 26.656 16.278 39 HD22 LEU 4 2HD2 LEU 4 21.498 25.001 16.722 40 HD23 LEU 4 3HD2 LEU 4 23.090 25.649 17.119 41 H GLU 5 H GLU 5 21.415 21.966 20.070 42 HA GLU 5 HA GLU 5 21.073 22.326 22.877 43 HB2 GLU 5 1HB GLU 5 19.693 20.814 21.457 44 HB3 GLU 5 2HB GLU 5 21.080 19.732 21.330 45 HG2 GLU 5 1HG GLU 5 21.133 19.536 23.802 46 HG3 GLU 5 2HG GLU 5 19.717 20.575 23.904 47 H GLY 6 H GLY 6 23.778 21.218 20.983 48 HA2 GLY 6 1HA GLY 6 25.947 20.816 21.672 49 HA3 GLY 6 2HA GLY 6 25.443 21.151 23.321 50 H GLU 7 H GLU 7 23.802 18.708 21.400 51 HA GLU 7 HA GLU 7 24.042 16.689 23.310 52 HB2 GLU 7 1HB GLU 7 23.684 16.434 20.315 53 HB3 GLU 7 2HB GLU 7 23.431 15.130 21.474 54 HG2 GLU 7 1HG GLU 7 21.716 16.526 22.620 55 HG3 GLU 7 2HG GLU 7 21.929 17.760 21.385 56 H ILE 8 H ILE 8 25.398 14.953 23.582 57 HA ILE 8 HA ILE 8 28.113 15.297 23.112 58 HB ILE 8 HB ILE 8 28.350 12.912 23.765 59 HG12 ILE 8 1HG1 ILE 8 25.334 12.871 23.961 60 HG13 ILE 8 2HG1 ILE 8 26.177 12.265 22.535 61 HG21 ILE 8 1HG2 ILE 8 26.473 14.706 25.313 62 HG22 ILE 8 2HG2 ILE 8 28.202 14.461 25.567 63 HG23 ILE 8 3HG2 ILE 8 27.060 13.177 25.966 64 HD11 ILE 8 1HD1 ILE 8 27.551 10.816 24.116 65 HD12 ILE 8 2HD1 ILE 8 25.851 10.373 23.962 66 HD13 ILE 8 3HD1 ILE 8 26.405 11.264 25.380 67 HA PRO 9 HA PRO 9 28.760 14.165 18.871 68 HB2 PRO 9 1HB PRO 9 31.057 12.479 19.733 69 HB3 PRO 9 2HB PRO 9 31.009 13.811 18.561 70 HG2 PRO 9 1HG PRO 9 32.104 14.115 20.964 71 HG3 PRO 9 2HG PRO 9 31.203 15.425 20.177 72 HD2 PRO 9 1HD PRO 9 30.354 13.653 22.431 73 HD3 PRO 9 2HD PRO 9 29.969 15.363 22.130 74 H PHE 10 H PHE 10 28.351 12.453 17.438 75 HA PHE 10 HA PHE 10 26.638 10.466 18.332 76 HB2 PHE 10 1HB PHE 10 27.091 9.362 16.090 77 HB3 PHE 10 2HB PHE 10 26.478 11.001 16.064 78 HD1 PHE 10 HD1 PHE 10 27.896 12.860 15.312 79 HD2 PHE 10 HD2 PHE 10 29.354 8.820 15.394 80 HE1 PHE 10 HE1 PHE 10 29.807 13.521 13.877 81 HE2 PHE 10 HE2 PHE 10 31.264 9.481 13.958 82 HZ PHE 10 HZ PHE 10 31.493 11.831 13.200 83 HA PRO 11 HA PRO 11 28.902 7.518 20.387 84 HB2 PRO 11 1HB PRO 11 27.803 5.292 18.731 85 HB3 PRO 11 2HB PRO 11 27.764 5.519 20.490 86 HG2 PRO 11 1HG PRO 11 25.610 5.913 18.987 87 HG3 PRO 11 2HG PRO 11 25.955 6.920 20.405 88 HD2 PRO 11 1HD PRO 11 26.233 7.597 17.512 89 HD3 PRO 11 2HD PRO 11 25.813 8.639 18.889 90 HA PRO 12 HA PRO 12 32.618 6.744 18.029 91 HB2 PRO 12 1HB PRO 12 33.225 4.470 19.843 92 HB3 PRO 12 2HB PRO 12 34.178 5.924 19.491 93 HG2 PRO 12 1HG PRO 12 32.907 5.588 21.813 94 HG3 PRO 12 2HG PRO 12 33.096 7.181 21.058 95 HD2 PRO 12 1HD PRO 12 30.667 5.442 21.194 96 HD3 PRO 12 2HD PRO 12 30.796 7.214 21.224 97 H THR 13 H THR 13 30.481 4.036 18.861 98 HA THR 13 HA THR 13 31.537 2.141 17.071 99 HB THR 13 HB THR 13 29.931 1.402 18.679 100 HG1 THR 13 HG1 THR 13 28.586 0.268 17.321 101 HG21 THR 13 1HG2 THR 13 28.602 3.376 19.030 102 HG22 THR 13 2HG2 THR 13 27.514 2.109 18.465 103 HG23 THR 13 3HG2 THR 13 28.047 3.371 17.356 104 H SER 14 H SER 14 29.247 4.809 16.523 105 HA SER 14 HA SER 14 28.660 4.216 13.826 106 HB2 SER 14 1HB SER 14 28.929 6.940 15.121 107 HB3 SER 14 2HB SER 14 28.087 6.581 13.617 108 HG SER 14 HG SER 14 27.421 5.950 16.270 109 H ILE 15 H ILE 15 31.321 6.038 15.324 110 HA ILE 15 HA ILE 15 32.596 6.831 12.937 111 HB ILE 15 HB ILE 15 33.940 6.098 15.552 112 HG12 ILE 15 1HG1 ILE 15 32.976 8.805 14.593 113 HG13 ILE 15 2HG1 ILE 15 32.067 7.796 15.720 114 HG21 ILE 15 1HG2 ILE 15 34.789 7.931 13.292 115 HG22 ILE 15 2HG2 ILE 15 35.476 6.342 13.625 116 HG23 ILE 15 3HG2 ILE 15 35.681 7.653 14.787 117 HD11 ILE 15 1HD1 ILE 15 34.719 9.160 16.124 118 HD12 ILE 15 2HD1 ILE 15 34.298 7.736 17.076 119 HD13 ILE 15 3HD1 ILE 15 33.292 9.181 17.161 120 H LEU 16 H LEU 16 32.683 3.756 14.696 121 HA LEU 16 HA LEU 16 34.781 2.540 13.265 122 HB2 LEU 16 1HB LEU 16 33.688 1.586 15.304 123 HB3 LEU 16 2HB LEU 16 32.305 1.150 14.300 124 HG LEU 16 HG LEU 16 33.951 -0.087 12.795 125 HD11 LEU 16 1HD1 LEU 16 36.052 0.803 13.434 126 HD12 LEU 16 2HD1 LEU 16 36.034 -0.814 14.136 127 HD13 LEU 16 3HD1 LEU 16 35.713 0.591 15.152 128 HD21 LEU 16 1HD2 LEU 16 32.523 -1.376 14.221 129 HD22 LEU 16 2HD2 LEU 16 33.441 -0.927 15.658 130 HD23 LEU 16 3HD2 LEU 16 34.151 -2.010 14.462 131 H LEU 17 H LEU 17 31.332 2.885 12.488 132 HA LEU 17 HA LEU 17 31.318 1.345 10.135 133 HB2 LEU 17 1HB LEU 17 29.296 2.340 11.203 134 HB3 LEU 17 2HB LEU 17 29.798 3.920 10.602 135 HG LEU 17 HG LEU 17 29.831 2.885 8.272 136 HD11 LEU 17 1HD1 LEU 17 29.893 0.553 8.738 137 HD12 LEU 17 2HD1 LEU 17 28.266 0.854 8.130 138 HD13 LEU 17 3HD1 LEU 17 28.539 0.665 9.862 139 HD21 LEU 17 1HD2 LEU 17 27.308 2.935 8.099 140 HD22 LEU 17 2HD2 LEU 17 28.013 4.343 8.893 141 HD23 LEU 17 3HD2 LEU 17 27.256 3.074 9.857 142 H LEU 18 H LEU 18 32.349 4.698 10.691 143 HA LEU 18 HA LEU 18 32.824 5.384 7.996 144 HB2 LEU 18 1HB LEU 18 32.882 6.971 9.942 145 HB3 LEU 18 2HB LEU 18 34.463 6.310 10.361 146 HG LEU 18 HG LEU 18 35.167 6.849 7.962 147 HD11 LEU 18 1HD1 LEU 18 33.115 7.202 6.844 148 HD12 LEU 18 2HD1 LEU 18 33.762 8.828 7.058 149 HD13 LEU 18 3HD1 LEU 18 32.493 8.237 8.129 150 HD21 LEU 18 1HD2 LEU 18 35.829 8.185 9.961 151 HD22 LEU 18 2HD2 LEU 18 34.381 9.169 9.754 152 HD23 LEU 18 3HD2 LEU 18 35.642 9.187 8.521 153 H LEU 19 H LEU 19 34.877 3.715 10.358 154 HA LEU 19 HA LEU 19 37.142 3.435 8.707 155 HB2 LEU 19 1HB LEU 19 36.102 1.841 11.024 156 HB3 LEU 19 2HB LEU 19 37.493 1.271 10.106 157 HG LEU 19 HG LEU 19 38.524 3.563 10.452 158 HD11 LEU 19 1HD1 LEU 19 36.717 4.957 11.029 159 HD12 LEU 19 2HD1 LEU 19 37.532 4.693 12.570 160 HD13 LEU 19 3HD1 LEU 19 36.070 3.789 12.181 161 HD21 LEU 19 1HD2 LEU 19 37.901 2.111 13.035 162 HD22 LEU 19 2HD2 LEU 19 39.370 2.997 12.623 163 HD23 LEU 19 3HD2 LEU 19 39.010 1.467 11.823 164 H ALA 20 H ALA 20 34.131 1.615 8.797 165 HA ALA 20 HA ALA 20 34.889 -0.523 7.135 166 HB1 ALA 20 1HB ALA 20 32.175 0.751 6.941 167 HB2 ALA 20 2HB ALA 20 32.663 -0.093 8.411 168 HB3 ALA 20 3HB ALA 20 32.606 -0.958 6.875 169 H CYS 21 H CYS 21 33.735 2.736 6.339 170 HA CYS 21 HA CYS 21 33.677 2.433 3.534 171 HB2 CYS 21 1HB CYS 21 34.353 4.879 5.185 172 HB3 CYS 21 2HB CYS 21 33.982 4.896 3.461 173 HG CYS 21 HG CYS 21 31.632 5.113 4.250 174 H ILE 22 H ILE 22 36.328 3.296 5.737 175 HA ILE 22 HA ILE 22 38.305 3.763 3.790 176 HB ILE 22 HB ILE 22 38.671 2.550 6.541 177 HG12 ILE 22 1HG1 ILE 22 38.816 5.452 5.670 178 HG13 ILE 22 2HG1 ILE 22 37.422 4.736 6.481 179 HG21 ILE 22 1HG2 ILE 22 40.596 4.106 4.785 180 HG22 ILE 22 2HG2 ILE 22 40.647 2.360 5.034 181 HG23 ILE 22 3HG2 ILE 22 40.939 3.452 6.386 182 HD11 ILE 22 1HD1 ILE 22 39.120 3.984 8.289 183 HD12 ILE 22 2HD1 ILE 22 38.664 5.687 8.249 184 HD13 ILE 22 3HD1 ILE 22 40.203 5.168 7.562 185 H PHE 23 H PHE 23 37.150 0.738 5.249 186 HA PHE 23 HA PHE 23 39.060 -0.990 4.145 187 HB2 PHE 23 1HB PHE 23 37.367 -1.648 5.833 188 HB3 PHE 23 2HB PHE 23 36.135 -1.577 4.588 189 HD1 PHE 23 HD1 PHE 23 36.007 -3.267 2.834 190 HD2 PHE 23 HD2 PHE 23 39.016 -3.444 5.894 191 HE1 PHE 23 HE1 PHE 23 36.490 -5.620 2.221 192 HE2 PHE 23 HE2 PHE 23 39.501 -5.797 5.280 193 HZ PHE 23 HZ PHE 23 38.238 -6.886 3.444 194 H LEU 24 H LEU 24 36.086 0.333 2.705 195 HA LEU 24 HA LEU 24 36.116 -1.156 0.336 196 HB2 LEU 24 1HB LEU 24 34.296 0.395 1.039 197 HB3 LEU 24 2HB LEU 24 35.334 1.753 0.609 198 HG LEU 24 HG LEU 24 35.516 0.722 -1.715 199 HD11 LEU 24 1HD1 LEU 24 33.513 -0.781 -2.246 200 HD12 LEU 24 2HD1 LEU 24 33.348 -1.004 -0.504 201 HD13 LEU 24 3HD1 LEU 24 34.819 -1.527 -1.325 202 HD21 LEU 24 1HD2 LEU 24 33.994 2.638 -1.039 203 HD22 LEU 24 2HD2 LEU 24 32.701 1.452 -0.868 204 HD23 LEU 24 3HD2 LEU 24 33.451 1.718 -2.442 205 H ILE 25 H ILE 25 37.864 1.840 1.137 206 HA ILE 25 HA ILE 25 39.187 2.101 -1.344 207 HB ILE 25 HB ILE 25 39.927 2.984 1.445 208 HG12 ILE 25 1HG1 ILE 25 39.539 5.234 0.197 209 HG13 ILE 25 2HG1 ILE 25 38.775 4.240 -1.038 210 HG21 ILE 25 1HG2 ILE 25 42.065 2.745 0.298 211 HG22 ILE 25 2HG2 ILE 25 41.643 4.456 0.350 212 HG23 ILE 25 3HG2 ILE 25 41.421 3.539 -1.139 213 HD11 ILE 25 1HD1 ILE 25 37.450 5.287 1.087 214 HD12 ILE 25 2HD1 ILE 25 37.887 3.710 1.742 215 HD13 ILE 25 3HD1 ILE 25 36.948 3.816 0.255 216 H ALA 26 H ALA 26 39.849 0.001 1.411 217 HA ALA 26 HA ALA 26 42.429 -0.816 0.658 218 HB1 ALA 26 1HB ALA 26 41.114 -1.274 2.839 219 HB2 ALA 26 2HB ALA 26 42.211 -2.522 2.249 220 HB3 ALA 26 3HB ALA 26 40.475 -2.677 1.983 221 H ILE 27 H ILE 27 39.295 -2.432 -0.002 222 HA ILE 27 HA ILE 27 40.419 -4.502 -1.544 223 HB ILE 27 HB ILE 27 38.133 -4.575 -0.617 224 HG12 ILE 27 1HG1 ILE 27 38.025 -4.868 -3.618 225 HG13 ILE 27 2HG1 ILE 27 38.992 -5.949 -2.613 226 HG21 ILE 27 1HG2 ILE 27 37.280 -2.386 -1.039 227 HG22 ILE 27 2HG2 ILE 27 36.328 -3.488 -2.030 228 HG23 ILE 27 3HG2 ILE 27 37.596 -2.517 -2.770 229 HD11 ILE 27 1HD1 ILE 27 36.561 -6.664 -3.163 230 HD12 ILE 27 2HD1 ILE 27 36.088 -5.439 -1.984 231 HD13 ILE 27 3HD1 ILE 27 37.101 -6.796 -1.489 232 H LEU 28 H LEU 28 39.465 -1.212 -2.438 233 HA LEU 28 HA LEU 28 39.694 -1.489 -5.230 234 HB2 LEU 28 1HB LEU 28 38.851 0.549 -4.065 235 HB3 LEU 28 2HB LEU 28 40.508 0.916 -3.583 236 HG LEU 28 HG LEU 28 41.136 0.848 -6.036 237 HD11 LEU 28 1HD1 LEU 28 39.019 1.322 -7.504 238 HD12 LEU 28 2HD1 LEU 28 38.153 0.493 -6.210 239 HD13 LEU 28 3HD1 LEU 28 39.425 -0.346 -7.099 240 HD21 LEU 28 1HD2 LEU 28 40.039 3.077 -6.526 241 HD22 LEU 28 2HD2 LEU 28 40.860 2.994 -4.967 242 HD23 LEU 28 3HD2 LEU 28 39.102 2.867 -5.046 243 H ALA 29 H ALA 29 42.170 -1.009 -2.738 244 HA ALA 29 HA ALA 29 44.387 -0.734 -4.450 245 HB1 ALA 29 1HB ALA 29 44.182 -0.571 -1.833 246 HB2 ALA 29 2HB ALA 29 45.706 -1.063 -2.573 247 HB3 ALA 29 3HB ALA 29 44.621 -2.278 -1.894 248 H ALA 30 H ALA 30 42.758 -3.621 -3.204 249 HA ALA 30 HA ALA 30 44.534 -5.546 -4.238 250 HB1 ALA 30 1HB ALA 30 42.917 -7.112 -3.719 251 HB2 ALA 30 2HB ALA 30 41.593 -6.079 -4.256 252 HB3 ALA 30 3HB ALA 30 42.384 -5.765 -2.713 253 H SER 31 H SER 31 41.781 -3.889 -5.746 254 HA SER 31 HA SER 31 41.770 -5.263 -8.188 255 HB2 SER 31 1HB SER 31 41.196 -2.324 -7.755 256 HB3 SER 31 2HB SER 31 40.650 -3.311 -9.108 257 HG SER 31 HG SER 31 39.074 -3.961 -7.885 258 H ALA 32 H ALA 32 43.758 -2.514 -7.118 259 HA ALA 32 HA ALA 32 45.037 -2.015 -9.572 260 HB1 ALA 32 1HB ALA 32 46.494 -1.807 -6.951 261 HB2 ALA 32 2HB ALA 32 45.161 -0.715 -7.322 262 HB3 ALA 32 3HB ALA 32 46.586 -0.750 -8.360 263 H LEU 33 H LEU 33 45.789 -4.327 -6.982 264 HA LEU 33 HA LEU 33 48.228 -5.272 -8.035 265 HB2 LEU 33 1HB LEU 33 46.148 -6.823 -6.473 266 HB3 LEU 33 2HB LEU 33 47.839 -7.275 -6.680 267 HG LEU 33 HG LEU 33 46.897 -4.705 -5.375 268 HD11 LEU 33 1HD1 LEU 33 47.614 -5.764 -3.270 269 HD12 LEU 33 2HD1 LEU 33 48.014 -7.244 -4.143 270 HD13 LEU 33 3HD1 LEU 33 46.337 -6.709 -4.033 271 HD21 LEU 33 1HD2 LEU 33 49.083 -4.390 -6.305 272 HD22 LEU 33 2HD2 LEU 33 49.607 -5.992 -5.789 273 HD23 LEU 33 3HD2 LEU 33 49.331 -4.727 -4.593 274 H TRP 34 H TRP 34 44.871 -6.228 -8.723 275 HA TRP 34 HA TRP 34 45.469 -8.325 -10.510 276 HB2 TRP 34 1HB TRP 34 43.141 -6.421 -10.427 277 HB3 TRP 34 2HB TRP 34 43.257 -7.728 -11.586 278 HD1 TRP 34 HD1 TRP 34 41.419 -7.100 -8.717 279 HE1 TRP 34 HE1 TRP 34 40.981 -9.184 -7.271 280 HE3 TRP 34 HE3 TRP 34 44.993 -10.237 -10.582 281 HZ2 TRP 34 HZ2 TRP 34 42.009 -11.835 -6.944 282 HZ3 TRP 34 HZ3 TRP 34 45.240 -12.531 -9.687 283 HH2 TRP 34 HH2 TRP 34 43.756 -13.336 -7.873 284 H ALA 35 H ALA 35 45.483 -4.833 -10.982 285 HA ALA 35 HA ALA 35 45.789 -4.790 -13.777 286 HB1 ALA 35 1HB ALA 35 45.577 -2.843 -12.014 287 HB2 ALA 35 2HB ALA 35 46.423 -2.575 -13.539 288 HB3 ALA 35 3HB ALA 35 47.340 -2.887 -12.064 289 H ALA 36 H ALA 36 48.186 -5.183 -11.195 290 HA ALA 36 HA ALA 36 50.469 -5.455 -12.825 291 HB1 ALA 36 1HB ALA 36 51.553 -6.226 -10.937 292 HB2 ALA 36 2HB ALA 36 50.161 -7.158 -10.387 293 HB3 ALA 36 3HB ALA 36 50.176 -5.404 -10.203 294 H ALA 37 H ALA 37 48.022 -7.828 -11.867 295 HA ALA 37 HA ALA 37 49.172 -10.122 -12.968 296 HB1 ALA 37 1HB ALA 37 47.067 -11.119 -12.774 297 HB2 ALA 37 2HB ALA 37 46.216 -9.610 -13.107 298 HB3 ALA 37 3HB ALA 37 47.022 -9.844 -11.556 299 H TRP 38 H TRP 38 47.411 -7.519 -14.559 300 HA TRP 38 HA TRP 38 46.931 -8.664 -17.037 301 HB2 TRP 38 1HB TRP 38 46.290 -6.354 -16.182 302 HB3 TRP 38 2HB TRP 38 47.888 -5.835 -16.684 303 HD1 TRP 38 HD1 TRP 38 48.269 -5.358 -19.201 304 HE1 TRP 38 HE1 TRP 38 46.736 -5.368 -21.273 305 HE3 TRP 38 HE3 TRP 38 44.150 -7.651 -17.239 306 HZ2 TRP 38 HZ2 TRP 38 44.105 -6.234 -22.004 307 HZ3 TRP 38 HZ3 TRP 38 42.149 -8.055 -18.639 308 HH2 TRP 38 HH2 TRP 38 42.118 -7.351 -21.015 309 H HIS 39 H HIS 39 50.012 -7.689 -15.696 310 HA HIS 39 HA HIS 39 51.502 -7.300 -18.025 311 HB2 HIS 39 1HB HIS 39 52.301 -6.840 -15.738 312 HB3 HIS 39 2HB HIS 39 52.417 -8.565 -15.445 313 HD1 HIS 39 HD1 HIS 39 53.781 -6.077 -18.009 314 HD2 HIS 39 HD2 HIS 39 54.961 -9.490 -15.924 315 HE1 HIS 39 HE1 HIS 39 56.191 -6.510 -18.650 316 H GLY 40 H GLY 40 50.258 -10.273 -16.701 317 HA2 GLY 40 1HA GLY 40 50.140 -12.327 -17.835 318 HA3 GLY 40 2HA GLY 40 51.381 -11.759 -18.951 319 H GLN 41 H GLN 41 51.523 -14.295 -17.875 320 HA GLN 41 HA GLN 41 52.892 -14.591 -15.456 321 HB2 GLN 41 1HB GLN 41 53.062 -16.301 -17.951 322 HB3 GLN 41 2HB GLN 41 53.565 -16.792 -16.332 323 HG2 GLN 41 1HG GLN 41 51.292 -16.507 -15.495 324 HG3 GLN 41 2HG GLN 41 50.760 -15.924 -17.069 325 HE21 GLN 41 1HE2 GLN 41 49.570 -18.224 -15.863 326 HE22 GLN 41 2HE2 GLN 41 49.980 -19.587 -16.789 327 H LYS 42 H LYS 42 55.086 -14.768 -14.931 328 HA LYS 42 HA LYS 42 56.716 -12.795 -16.021 329 HB2 LYS 42 1HB LYS 42 56.827 -13.916 -13.736 330 HB3 LYS 42 2HB LYS 42 57.788 -15.168 -14.523 331 HG2 LYS 42 1HG LYS 42 59.424 -13.670 -13.760 332 HG3 LYS 42 2HG LYS 42 59.202 -13.179 -15.439 333 HD2 LYS 42 1HD LYS 42 59.062 -11.126 -14.351 334 HD3 LYS 42 2HD LYS 42 57.361 -11.589 -14.425 335 HE2 LYS 42 1HE LYS 42 57.273 -12.145 -12.166 336 HE3 LYS 42 2HE LYS 42 59.008 -12.447 -12.066 337 HZ1 LYS 42 1HZ LYS 42 58.297 -10.360 -10.983 338 HZ2 LYS 42 2HZ LYS 42 57.802 -9.770 -12.497 339 HZ3 LYS 42 3HZ LYS 42 59.440 -10.118 -12.213 340 HA PRO 43 HA PRO 43 59.045 -16.272 -18.610 341 HB2 PRO 43 1HB PRO 43 56.505 -17.533 -19.562 342 HB3 PRO 43 2HB PRO 43 58.117 -18.251 -19.363 343 HG2 PRO 43 1HG PRO 43 56.176 -18.722 -17.617 344 HG3 PRO 43 2HG PRO 43 57.863 -18.536 -17.101 345 HD2 PRO 43 1HD PRO 43 55.591 -16.641 -16.785 346 HD3 PRO 43 2HD PRO 43 57.020 -16.869 -15.759 347 H GLY 44 H GLY 44 59.481 -15.613 -20.695 348 HA2 GLY 44 1HA GLY 44 58.274 -13.319 -21.738 349 HA3 GLY 44 2HA GLY 44 59.310 -14.413 -22.651 350 H THR 45 H THR 45 56.771 -12.957 -23.353 351 HA THR 45 HA THR 45 54.597 -14.697 -23.596 352 HB THR 45 HB THR 45 53.857 -13.235 -25.425 353 HG1 THR 45 HG1 THR 45 55.352 -11.521 -25.991 354 HG21 THR 45 1HG2 THR 45 53.528 -12.400 -23.180 355 HG22 THR 45 2HG2 THR 45 54.059 -11.052 -24.188 356 HG23 THR 45 3HG2 THR 45 55.197 -11.840 -23.095 357 H HIS 46 H HIS 46 53.930 -16.129 -25.186 358 HA HIS 46 HA HIS 46 56.083 -17.167 -26.915 359 HB2 HIS 46 1HB HIS 46 54.778 -19.218 -27.008 360 HB3 HIS 46 2HB HIS 46 55.094 -18.761 -25.345 361 HD1 HIS 46 HD1 HIS 46 52.310 -18.660 -27.926 362 HD2 HIS 46 HD2 HIS 46 52.801 -18.499 -23.790 363 HE1 HIS 46 HE1 HIS 46 49.986 -18.740 -26.927 Start of MODEL 9 1 H ARG 1 3H ARG 1 25.337 11.141 28.829 2 HA ARG 1 HA ARG 1 27.573 9.353 28.224 3 HB2 ARG 1 1HB ARG 1 25.122 10.318 26.720 4 HB3 ARG 1 2HB ARG 1 26.273 9.127 26.113 5 HG2 ARG 1 1HG ARG 1 25.792 7.698 28.099 6 HG3 ARG 1 2HG ARG 1 24.567 8.862 28.604 7 HD2 ARG 1 1HD ARG 1 23.445 8.536 26.374 8 HD3 ARG 1 2HD ARG 1 24.587 7.234 26.052 9 HE ARG 1 HE ARG 1 22.370 7.188 27.948 10 HH11 ARG 1 1HH1 ARG 1 25.282 5.584 26.817 11 HH12 ARG 1 2HH1 ARG 1 24.842 4.067 27.527 12 HH21 ARG 1 1HH2 ARG 1 21.858 5.208 28.840 13 HH22 ARG 1 2HH2 ARG 1 22.928 3.859 28.657 14 H SER 2 H SER 2 28.559 9.757 26.020 15 HA SER 2 HA SER 2 30.012 12.143 26.003 16 HB2 SER 2 1HB SER 2 29.442 10.314 23.664 17 HB3 SER 2 2HB SER 2 30.751 11.485 23.771 18 HG SER 2 HG SER 2 30.590 8.978 24.756 19 H LEU 3 H LEU 3 26.851 11.478 24.656 20 HA LEU 3 HA LEU 3 26.716 13.424 22.655 21 HB2 LEU 3 1HB LEU 3 24.495 12.498 24.487 22 HB3 LEU 3 2HB LEU 3 24.289 13.301 22.930 23 HG LEU 3 HG LEU 3 25.694 10.642 23.331 24 HD11 LEU 3 1HD1 LEU 3 23.666 9.758 22.121 25 HD12 LEU 3 2HD1 LEU 3 22.920 11.342 22.330 26 HD13 LEU 3 3HD1 LEU 3 23.325 10.365 23.741 27 HD21 LEU 3 1HD2 LEU 3 25.036 12.344 20.922 28 HD22 LEU 3 2HD2 LEU 3 25.305 10.607 20.774 29 HD23 LEU 3 3HD2 LEU 3 26.592 11.650 21.379 30 H LEU 4 H LEU 4 26.664 13.843 26.120 31 HA LEU 4 HA LEU 4 25.266 16.265 26.333 32 HB2 LEU 4 1HB LEU 4 25.986 14.824 28.234 33 HB3 LEU 4 2HB LEU 4 27.639 15.385 27.987 34 HG LEU 4 HG LEU 4 26.782 17.749 28.265 35 HD11 LEU 4 1HD1 LEU 4 24.456 17.537 27.819 36 HD12 LEU 4 2HD1 LEU 4 24.557 17.823 29.557 37 HD13 LEU 4 3HD1 LEU 4 24.283 16.191 28.946 38 HD21 LEU 4 1HD2 LEU 4 26.505 15.732 30.506 39 HD22 LEU 4 2HD2 LEU 4 26.442 17.474 30.775 40 HD23 LEU 4 3HD2 LEU 4 27.906 16.735 30.128 41 H GLU 5 H GLU 5 28.474 15.631 25.145 42 HA GLU 5 HA GLU 5 29.578 18.222 25.568 43 HB2 GLU 5 1HB GLU 5 30.886 16.120 25.227 44 HB3 GLU 5 2HB GLU 5 30.416 16.157 23.528 45 HG2 GLU 5 1HG GLU 5 31.444 18.412 23.319 46 HG3 GLU 5 2HG GLU 5 31.966 18.311 24.995 47 H GLY 6 H GLY 6 27.410 17.017 23.145 48 HA2 GLY 6 1HA GLY 6 26.292 18.645 21.716 49 HA3 GLY 6 2HA GLY 6 27.825 19.482 21.558 50 H GLU 7 H GLU 7 28.571 16.248 21.361 51 HA GLU 7 HA GLU 7 29.228 16.219 18.650 52 HB2 GLU 7 1HB GLU 7 30.062 14.626 20.402 53 HB3 GLU 7 2HB GLU 7 28.502 13.806 20.325 54 HG2 GLU 7 1HG GLU 7 28.852 13.432 17.890 55 HG3 GLU 7 2HG GLU 7 30.438 14.176 18.022 56 H ILE 8 H ILE 8 28.236 15.280 16.825 57 HA ILE 8 HA ILE 8 25.554 15.920 16.471 58 HB ILE 8 HB ILE 8 25.699 14.613 14.371 59 HG12 ILE 8 1HG1 ILE 8 28.442 13.818 15.399 60 HG13 ILE 8 2HG1 ILE 8 27.048 12.739 15.353 61 HG21 ILE 8 1HG2 ILE 8 26.646 16.897 14.511 62 HG22 ILE 8 2HG2 ILE 8 27.569 15.884 13.399 63 HG23 ILE 8 3HG2 ILE 8 28.193 16.216 15.015 64 HD11 ILE 8 1HD1 ILE 8 28.534 13.970 13.034 65 HD12 ILE 8 2HD1 ILE 8 26.900 13.333 12.846 66 HD13 ILE 8 3HD1 ILE 8 28.212 12.265 13.347 67 HA PRO 9 HA PRO 9 23.283 12.887 18.539 68 HB2 PRO 9 1HB PRO 9 21.206 12.291 16.785 69 HB3 PRO 9 2HB PRO 9 21.263 13.693 17.868 70 HG2 PRO 9 1HG PRO 9 21.891 13.518 14.973 71 HG3 PRO 9 2HG PRO 9 21.085 14.809 15.884 72 HD2 PRO 9 1HD PRO 9 23.662 15.034 15.102 73 HD3 PRO 9 2HD PRO 9 23.087 15.724 16.637 74 H PHE 10 H PHE 10 24.334 12.058 15.295 75 HA PHE 10 HA PHE 10 23.589 9.379 15.187 76 HB2 PHE 10 1HB PHE 10 26.049 10.736 14.089 77 HB3 PHE 10 2HB PHE 10 25.555 9.108 13.664 78 HD1 PHE 10 HD1 PHE 10 23.349 8.762 12.482 79 HD2 PHE 10 HD2 PHE 10 25.078 12.649 13.076 80 HE1 PHE 10 HE1 PHE 10 21.875 9.688 10.713 81 HE2 PHE 10 HE2 PHE 10 23.608 13.573 11.305 82 HZ PHE 10 HZ PHE 10 22.005 12.092 10.125 83 HA PRO 11 HA PRO 11 26.021 7.554 18.449 84 HB2 PRO 11 1HB PRO 11 26.451 5.161 16.742 85 HB3 PRO 11 2HB PRO 11 25.701 5.292 18.343 86 HG2 PRO 11 1HG PRO 11 24.269 4.857 16.134 87 HG3 PRO 11 2HG PRO 11 23.650 5.814 17.492 88 HD2 PRO 11 1HD PRO 11 24.682 6.756 14.844 89 HD3 PRO 11 2HD PRO 11 23.372 7.413 15.852 90 HA PRO 12 HA PRO 12 30.321 8.231 17.048 91 HB2 PRO 12 1HB PRO 12 31.088 6.549 19.376 92 HB3 PRO 12 2HB PRO 12 31.620 8.185 18.940 93 HG2 PRO 12 1HG PRO 12 29.945 7.736 20.967 94 HG3 PRO 12 2HG PRO 12 29.834 9.185 19.953 95 HD2 PRO 12 1HD PRO 12 28.094 6.754 19.950 96 HD3 PRO 12 2HD PRO 12 27.668 8.450 19.627 97 H THR 13 H THR 13 29.033 5.087 18.078 98 HA THR 13 HA THR 13 30.911 3.421 16.818 99 HB THR 13 HB THR 13 29.145 1.717 16.848 100 HG1 THR 13 HG1 THR 13 27.456 3.813 17.726 101 HG21 THR 13 1HG2 THR 13 29.134 3.496 19.303 102 HG22 THR 13 2HG2 THR 13 30.335 2.259 18.939 103 HG23 THR 13 3HG2 THR 13 28.665 1.797 19.264 104 H SER 14 H SER 14 28.108 5.168 15.489 105 HA SER 14 HA SER 14 28.085 3.911 12.961 106 HB2 SER 14 1HB SER 14 26.781 5.737 12.205 107 HB3 SER 14 2HB SER 14 26.383 5.573 13.910 108 HG SER 14 HG SER 14 27.309 7.691 12.673 109 H ILE 15 H ILE 15 29.953 6.668 14.211 110 HA ILE 15 HA ILE 15 31.328 7.287 11.829 111 HB ILE 15 HB ILE 15 32.369 7.454 14.671 112 HG12 ILE 15 1HG1 ILE 15 30.989 9.560 12.979 113 HG13 ILE 15 2HG1 ILE 15 30.180 8.621 14.233 114 HG21 ILE 15 1HG2 ILE 15 33.845 9.202 13.772 115 HG22 ILE 15 2HG2 ILE 15 33.173 8.959 12.159 116 HG23 ILE 15 3HG2 ILE 15 34.120 7.682 12.922 117 HD11 ILE 15 1HD1 ILE 15 31.814 9.468 15.898 118 HD12 ILE 15 2HD1 ILE 15 30.908 10.778 15.143 119 HD13 ILE 15 3HD1 ILE 15 32.566 10.448 14.639 120 H LEU 16 H LEU 16 31.934 4.783 14.274 121 HA LEU 16 HA LEU 16 34.393 3.860 13.248 122 HB2 LEU 16 1HB LEU 16 33.346 3.113 15.414 123 HB3 LEU 16 2HB LEU 16 32.263 2.096 14.463 124 HG LEU 16 HG LEU 16 34.334 1.095 13.383 125 HD11 LEU 16 1HD1 LEU 16 36.363 1.321 15.004 126 HD12 LEU 16 2HD1 LEU 16 35.567 2.803 15.535 127 HD13 LEU 16 3HD1 LEU 16 36.060 2.621 13.852 128 HD21 LEU 16 1HD2 LEU 16 33.197 -0.237 14.997 129 HD22 LEU 16 2HD2 LEU 16 33.721 0.794 16.328 130 HD23 LEU 16 3HD2 LEU 16 34.884 -0.248 15.509 131 H LEU 17 H LEU 17 31.062 3.180 12.245 132 HA LEU 17 HA LEU 17 31.629 1.159 10.374 133 HB2 LEU 17 1HB LEU 17 29.331 1.890 11.062 134 HB3 LEU 17 2HB LEU 17 29.535 3.314 10.042 135 HG LEU 17 HG LEU 17 30.061 1.722 8.128 136 HD11 LEU 17 1HD1 LEU 17 30.576 -0.323 9.172 137 HD12 LEU 17 2HD1 LEU 17 28.939 -0.587 8.574 138 HD13 LEU 17 3HD1 LEU 17 29.204 -0.210 10.276 139 HD21 LEU 17 1HD2 LEU 17 27.858 2.858 8.447 140 HD22 LEU 17 2HD2 LEU 17 27.313 1.471 9.391 141 HD23 LEU 17 3HD2 LEU 17 27.699 1.277 7.682 142 H LEU 18 H LEU 18 31.875 4.686 10.097 143 HA LEU 18 HA LEU 18 32.504 4.810 7.352 144 HB2 LEU 18 1HB LEU 18 32.072 6.793 8.815 145 HB3 LEU 18 2HB LEU 18 33.672 6.566 9.519 146 HG LEU 18 HG LEU 18 34.612 6.683 7.166 147 HD11 LEU 18 1HD1 LEU 18 33.006 7.990 5.603 148 HD12 LEU 18 2HD1 LEU 18 31.723 7.388 6.655 149 HD13 LEU 18 3HD1 LEU 18 32.749 6.253 5.778 150 HD21 LEU 18 1HD2 LEU 18 33.137 9.047 8.361 151 HD22 LEU 18 2HD2 LEU 18 34.293 9.196 7.038 152 HD23 LEU 18 3HD2 LEU 18 34.825 8.604 8.611 153 H LEU 19 H LEU 19 34.554 4.131 10.168 154 HA LEU 19 HA LEU 19 37.015 3.948 8.800 155 HB2 LEU 19 1HB LEU 19 36.716 3.831 11.299 156 HB3 LEU 19 2HB LEU 19 36.181 2.164 11.092 157 HG LEU 19 HG LEU 19 38.356 1.768 9.813 158 HD11 LEU 19 1HD1 LEU 19 39.204 3.881 9.303 159 HD12 LEU 19 2HD1 LEU 19 40.151 3.462 10.732 160 HD13 LEU 19 3HD1 LEU 19 38.768 4.548 10.877 161 HD21 LEU 19 1HD2 LEU 19 37.961 0.989 12.134 162 HD22 LEU 19 2HD2 LEU 19 38.525 2.546 12.743 163 HD23 LEU 19 3HD2 LEU 19 39.641 1.474 11.897 164 H ALA 20 H ALA 20 34.373 1.628 9.111 165 HA ALA 20 HA ALA 20 35.617 -0.580 7.885 166 HB1 ALA 20 1HB ALA 20 33.485 -1.502 7.688 167 HB2 ALA 20 2HB ALA 20 32.727 0.062 7.389 168 HB3 ALA 20 3HB ALA 20 33.273 -0.358 9.013 169 H CYS 21 H CYS 21 33.967 2.227 6.487 170 HA CYS 21 HA CYS 21 34.018 1.401 3.794 171 HB2 CYS 21 1HB CYS 21 34.303 4.216 4.874 172 HB3 CYS 21 2HB CYS 21 33.827 3.774 3.235 173 HG CYS 21 HG CYS 21 31.518 3.402 4.039 174 H ILE 22 H ILE 22 36.466 3.056 5.771 175 HA ILE 22 HA ILE 22 38.366 3.434 3.719 176 HB ILE 22 HB ILE 22 38.874 2.892 6.658 177 HG12 ILE 22 1HG1 ILE 22 38.629 5.517 5.158 178 HG13 ILE 22 2HG1 ILE 22 37.333 4.813 6.118 179 HG21 ILE 22 1HG2 ILE 22 40.990 4.117 6.232 180 HG22 ILE 22 2HG2 ILE 22 40.584 4.207 4.519 181 HG23 ILE 22 3HG2 ILE 22 40.898 2.642 5.269 182 HD11 ILE 22 1HD1 ILE 22 39.211 6.567 7.080 183 HD12 ILE 22 2HD1 ILE 22 39.911 5.023 7.560 184 HD13 ILE 22 3HD1 ILE 22 38.282 5.454 8.078 185 H PHE 23 H PHE 23 37.655 0.595 5.741 186 HA PHE 23 HA PHE 23 39.810 -0.998 4.912 187 HB2 PHE 23 1HB PHE 23 38.169 -1.582 6.707 188 HB3 PHE 23 2HB PHE 23 37.009 -1.977 5.454 189 HD1 PHE 23 HD1 PHE 23 37.273 -3.975 4.073 190 HD2 PHE 23 HD2 PHE 23 40.109 -2.991 7.144 191 HE1 PHE 23 HE1 PHE 23 38.207 -6.268 3.944 192 HE2 PHE 23 HE2 PHE 23 41.044 -5.285 7.016 193 HZ PHE 23 HZ PHE 23 40.093 -6.924 5.416 194 H LEU 24 H LEU 24 36.666 -0.437 3.331 195 HA LEU 24 HA LEU 24 37.050 -2.216 1.197 196 HB2 LEU 24 1HB LEU 24 35.459 0.313 1.475 197 HB3 LEU 24 2HB LEU 24 35.615 -0.446 -0.098 198 HG LEU 24 HG LEU 24 33.565 -1.137 1.128 199 HD11 LEU 24 1HD1 LEU 24 33.663 -3.355 0.427 200 HD12 LEU 24 2HD1 LEU 24 35.340 -3.550 0.940 201 HD13 LEU 24 3HD1 LEU 24 34.962 -2.614 -0.507 202 HD21 LEU 24 1HD2 LEU 24 33.729 -2.609 3.067 203 HD22 LEU 24 2HD2 LEU 24 34.535 -1.081 3.420 204 HD23 LEU 24 3HD2 LEU 24 35.489 -2.511 3.027 205 H ILE 25 H ILE 25 38.248 1.105 1.620 206 HA ILE 25 HA ILE 25 39.394 1.394 -0.925 207 HB ILE 25 HB ILE 25 40.555 2.419 1.678 208 HG12 ILE 25 1HG1 ILE 25 38.631 3.758 -0.248 209 HG13 ILE 25 2HG1 ILE 25 38.135 3.014 1.273 210 HG21 ILE 25 1HG2 ILE 25 41.557 4.142 0.257 211 HG22 ILE 25 2HG2 ILE 25 40.819 3.419 -1.172 212 HG23 ILE 25 3HG2 ILE 25 42.071 2.545 -0.288 213 HD11 ILE 25 1HD1 ILE 25 39.901 5.424 0.861 214 HD12 ILE 25 2HD1 ILE 25 39.908 4.526 2.379 215 HD13 ILE 25 3HD1 ILE 25 38.425 5.298 1.817 216 H ALA 26 H ALA 26 40.612 -0.349 1.920 217 HA ALA 26 HA ALA 26 43.127 -1.057 0.900 218 HB1 ALA 26 1HB ALA 26 41.974 -1.560 3.217 219 HB2 ALA 26 2HB ALA 26 43.222 -2.638 2.590 220 HB3 ALA 26 3HB ALA 26 41.520 -3.070 2.427 221 H ILE 27 H ILE 27 39.949 -2.588 0.428 222 HA ILE 27 HA ILE 27 40.815 -4.739 -1.168 223 HB ILE 27 HB ILE 27 38.212 -3.222 -1.444 224 HG12 ILE 27 1HG1 ILE 27 38.533 -3.896 0.883 225 HG13 ILE 27 2HG1 ILE 27 37.311 -4.912 0.132 226 HG21 ILE 27 1HG2 ILE 27 37.384 -5.458 -2.205 227 HG22 ILE 27 2HG2 ILE 27 39.048 -6.038 -2.176 228 HG23 ILE 27 3HG2 ILE 27 38.584 -4.750 -3.287 229 HD11 ILE 27 1HD1 ILE 27 39.698 -6.305 -0.327 230 HD12 ILE 27 2HD1 ILE 27 38.496 -6.673 0.907 231 HD13 ILE 27 3HD1 ILE 27 39.879 -5.656 1.302 232 H LEU 28 H LEU 28 40.148 -1.361 -2.010 233 HA LEU 28 HA LEU 28 40.388 -1.603 -4.805 234 HB2 LEU 28 1HB LEU 28 39.670 0.471 -3.572 235 HB3 LEU 28 2HB LEU 28 41.368 0.750 -3.185 236 HG LEU 28 HG LEU 28 41.838 0.576 -5.682 237 HD11 LEU 28 1HD1 LEU 28 39.903 -0.455 -6.557 238 HD12 LEU 28 2HD1 LEU 28 39.723 1.234 -7.031 239 HD13 LEU 28 3HD1 LEU 28 38.822 0.604 -5.652 240 HD21 LEU 28 1HD2 LEU 28 40.060 2.806 -4.643 241 HD22 LEU 28 2HD2 LEU 28 41.046 2.907 -6.103 242 HD23 LEU 28 3HD2 LEU 28 41.819 2.732 -4.527 243 H ALA 29 H ALA 29 42.862 -1.383 -2.289 244 HA ALA 29 HA ALA 29 45.120 -1.163 -3.955 245 HB1 ALA 29 1HB ALA 29 46.399 -1.947 -2.108 246 HB2 ALA 29 2HB ALA 29 45.025 -2.828 -1.438 247 HB3 ALA 29 3HB ALA 29 45.042 -1.064 -1.408 248 H ALA 30 H ALA 30 43.276 -4.005 -2.910 249 HA ALA 30 HA ALA 30 44.845 -5.975 -4.178 250 HB1 ALA 30 1HB ALA 30 41.841 -6.124 -4.046 251 HB2 ALA 30 2HB ALA 30 42.828 -6.264 -2.591 252 HB3 ALA 30 3HB ALA 30 43.017 -7.429 -3.902 253 H SER 31 H SER 31 42.223 -3.933 -5.433 254 HA SER 31 HA SER 31 42.055 -5.037 -8.003 255 HB2 SER 31 1HB SER 31 40.531 -3.277 -7.020 256 HB3 SER 31 2HB SER 31 41.788 -2.097 -7.369 257 HG SER 31 HG SER 31 40.236 -3.659 -9.125 258 H ALA 32 H ALA 32 44.352 -2.675 -6.684 259 HA ALA 32 HA ALA 32 45.615 -1.969 -9.094 260 HB1 ALA 32 1HB ALA 32 47.471 -1.249 -7.743 261 HB2 ALA 32 2HB ALA 32 46.976 -2.296 -6.412 262 HB3 ALA 32 3HB ALA 32 45.993 -0.896 -6.847 263 H LEU 33 H LEU 33 46.191 -4.690 -6.874 264 HA LEU 33 HA LEU 33 48.311 -5.889 -8.299 265 HB2 LEU 33 1HB LEU 33 47.497 -6.627 -6.055 266 HB3 LEU 33 2HB LEU 33 46.083 -7.330 -6.842 267 HG LEU 33 HG LEU 33 47.704 -8.649 -8.300 268 HD11 LEU 33 1HD1 LEU 33 49.759 -7.521 -8.061 269 HD12 LEU 33 2HD1 LEU 33 49.965 -8.955 -7.055 270 HD13 LEU 33 3HD1 LEU 33 49.592 -7.401 -6.309 271 HD21 LEU 33 1HD2 LEU 33 46.596 -9.863 -6.593 272 HD22 LEU 33 2HD2 LEU 33 47.476 -9.028 -5.314 273 HD23 LEU 33 3HD2 LEU 33 48.305 -10.209 -6.327 274 H TRP 34 H TRP 34 44.800 -6.025 -8.804 275 HA TRP 34 HA TRP 34 44.774 -7.859 -10.933 276 HB2 TRP 34 1HB TRP 34 42.886 -6.335 -9.644 277 HB3 TRP 34 2HB TRP 34 42.918 -5.580 -11.220 278 HD1 TRP 34 HD1 TRP 34 42.501 -7.346 -13.343 279 HE1 TRP 34 HE1 TRP 34 40.881 -9.348 -13.442 280 HE3 TRP 34 HE3 TRP 34 41.764 -8.130 -8.352 281 HZ2 TRP 34 HZ2 TRP 34 39.456 -11.060 -11.637 282 HZ3 TRP 34 HZ3 TRP 34 40.275 -9.945 -7.569 283 HH2 TRP 34 HH2 TRP 34 39.121 -11.411 -9.200 284 H ALA 35 H ALA 35 45.618 -4.443 -10.869 285 HA ALA 35 HA ALA 35 45.780 -3.976 -13.638 286 HB1 ALA 35 1HB ALA 35 46.949 -2.043 -13.106 287 HB2 ALA 35 2HB ALA 35 47.818 -2.810 -11.777 288 HB3 ALA 35 3HB ALA 35 46.121 -2.370 -11.584 289 H ALA 36 H ALA 36 48.146 -5.350 -11.378 290 HA ALA 36 HA ALA 36 50.198 -5.864 -13.239 291 HB1 ALA 36 1HB ALA 36 51.118 -7.297 -11.643 292 HB2 ALA 36 2HB ALA 36 49.539 -7.812 -11.050 293 HB3 ALA 36 3HB ALA 36 50.145 -6.202 -10.660 294 H ALA 37 H ALA 37 47.286 -7.723 -12.459 295 HA ALA 37 HA ALA 37 47.739 -9.967 -14.059 296 HB1 ALA 37 1HB ALA 37 45.796 -9.381 -12.414 297 HB2 ALA 37 2HB ALA 37 45.488 -10.452 -13.780 298 HB3 ALA 37 3HB ALA 37 45.005 -8.758 -13.863 299 H TRP 38 H TRP 38 46.668 -6.747 -14.980 300 HA TRP 38 HA TRP 38 45.703 -7.209 -17.532 301 HB2 TRP 38 1HB TRP 38 45.711 -5.034 -16.327 302 HB3 TRP 38 2HB TRP 38 47.420 -4.881 -16.680 303 HD1 TRP 38 HD1 TRP 38 48.115 -4.100 -19.063 304 HE1 TRP 38 HE1 TRP 38 46.794 -3.195 -21.082 305 HE3 TRP 38 HE3 TRP 38 43.366 -5.291 -17.614 306 HZ2 TRP 38 HZ2 TRP 38 44.076 -2.999 -21.967 307 HZ3 TRP 38 HZ3 TRP 38 41.435 -4.736 -19.058 308 HH2 TRP 38 HH2 TRP 38 41.780 -3.593 -21.229 309 H HIS 39 H HIS 39 49.006 -7.411 -16.448 310 HA HIS 39 HA HIS 39 51.007 -7.751 -17.502 311 HB2 HIS 39 1HB HIS 39 49.130 -9.091 -19.441 312 HB3 HIS 39 2HB HIS 39 50.876 -9.197 -19.551 313 HD1 HIS 39 HD1 HIS 39 47.969 -10.733 -17.961 314 HD2 HIS 39 HD2 HIS 39 52.058 -10.537 -17.175 315 HE1 HIS 39 HE1 HIS 39 48.466 -12.576 -16.298 316 H GLY 40 H GLY 40 52.088 -6.064 -18.237 317 HA2 GLY 40 1HA GLY 40 51.181 -4.104 -20.007 318 HA3 GLY 40 2HA GLY 40 52.871 -4.422 -19.640 319 H GLN 41 H GLN 41 52.514 -7.256 -20.715 320 HA GLN 41 HA GLN 41 53.623 -6.824 -23.238 321 HB2 GLN 41 1HB GLN 41 52.208 -9.257 -22.137 322 HB3 GLN 41 2HB GLN 41 53.159 -9.242 -23.624 323 HG2 GLN 41 1HG GLN 41 55.149 -8.552 -22.386 324 HG3 GLN 41 2HG GLN 41 54.217 -8.455 -20.895 325 HE21 GLN 41 1HE2 GLN 41 56.491 -10.172 -21.112 326 HE22 GLN 41 2HE2 GLN 41 55.956 -11.782 -21.045 327 H LYS 42 H LYS 42 50.249 -6.923 -22.323 328 HA LYS 42 HA LYS 42 49.072 -7.729 -24.708 329 HB2 LYS 42 1HB LYS 42 48.166 -5.826 -22.556 330 HB3 LYS 42 2HB LYS 42 47.149 -6.204 -23.947 331 HG2 LYS 42 1HG LYS 42 48.389 -8.415 -22.323 332 HG3 LYS 42 2HG LYS 42 46.888 -7.652 -21.798 333 HD2 LYS 42 1HD LYS 42 45.705 -8.375 -23.688 334 HD3 LYS 42 2HD LYS 42 47.176 -8.630 -24.629 335 HE2 LYS 42 1HE LYS 42 46.637 -10.244 -22.142 336 HE3 LYS 42 2HE LYS 42 45.957 -10.722 -23.696 337 HZ1 LYS 42 1HZ LYS 42 48.796 -10.053 -23.625 338 HZ2 LYS 42 2HZ LYS 42 47.979 -11.231 -24.536 339 HZ3 LYS 42 3HZ LYS 42 48.331 -11.514 -22.899 340 HA PRO 43 HA PRO 43 50.120 -4.565 -27.629 341 HB2 PRO 43 1HB PRO 43 47.299 -4.552 -28.578 342 HB3 PRO 43 2HB PRO 43 48.797 -4.848 -29.482 343 HG2 PRO 43 1HG PRO 43 47.119 -6.821 -28.866 344 HG3 PRO 43 2HG PRO 43 48.876 -7.059 -28.898 345 HD2 PRO 43 1HD PRO 43 47.060 -6.791 -26.537 346 HD3 PRO 43 2HD PRO 43 48.533 -7.768 -26.730 347 H GLY 44 H GLY 44 50.089 -2.341 -27.778 348 HA2 GLY 44 1HA GLY 44 49.010 -0.798 -25.715 349 HA3 GLY 44 2HA GLY 44 49.598 -0.156 -27.246 350 H THR 45 H THR 45 47.214 0.528 -25.547 351 HA THR 45 HA THR 45 44.818 -0.291 -26.734 352 HB THR 45 HB THR 45 43.846 1.748 -25.785 353 HG1 THR 45 HG1 THR 45 45.405 3.243 -26.237 354 HG21 THR 45 1HG2 THR 45 45.971 0.565 -23.977 355 HG22 THR 45 2HG2 THR 45 44.411 -0.185 -24.317 356 HG23 THR 45 3HG2 THR 45 44.481 1.356 -23.464 357 H HIS 46 H HIS 46 47.218 1.951 -27.935 358 HA HIS 46 HA HIS 46 47.336 3.193 -29.861 359 HB2 HIS 46 1HB HIS 46 46.821 0.911 -30.790 360 HB3 HIS 46 2HB HIS 46 45.131 1.376 -30.834 361 HD1 HIS 46 HD1 HIS 46 44.387 2.975 -32.705 362 HD2 HIS 46 HD2 HIS 46 48.486 2.219 -32.724 363 HE1 HIS 46 HE1 HIS 46 45.273 3.893 -34.890 Start of MODEL 10 1 H ARG 1 3H ARG 1 7.924 -0.942 16.562 2 HA ARG 1 HA ARG 1 9.918 -3.039 16.393 3 HB2 ARG 1 1HB ARG 1 7.955 -2.819 14.879 4 HB3 ARG 1 2HB ARG 1 8.593 -1.272 14.319 5 HG2 ARG 1 1HG ARG 1 10.684 -2.434 13.608 6 HG3 ARG 1 2HG ARG 1 9.952 -3.971 14.068 7 HD2 ARG 1 1HD ARG 1 8.826 -2.051 12.010 8 HD3 ARG 1 2HD ARG 1 9.708 -3.530 11.642 9 HE ARG 1 HE ARG 1 6.977 -3.324 12.644 10 HH11 ARG 1 1HH1 ARG 1 9.705 -5.444 12.010 11 HH12 ARG 1 2HH1 ARG 1 8.724 -6.871 12.011 12 HH21 ARG 1 1HH2 ARG 1 5.766 -5.198 12.635 13 HH22 ARG 1 2HH2 ARG 1 6.523 -6.733 12.362 14 H SER 2 H SER 2 9.821 0.481 16.298 15 HA SER 2 HA SER 2 12.161 0.999 14.856 16 HB2 SER 2 1HB SER 2 11.112 2.542 17.235 17 HB3 SER 2 2HB SER 2 12.193 3.145 15.984 18 HG SER 2 HG SER 2 9.518 2.983 15.986 19 H LEU 3 H LEU 3 11.780 -0.142 18.163 20 HA LEU 3 HA LEU 3 14.290 0.522 19.207 21 HB2 LEU 3 1HB LEU 3 12.308 -0.436 20.418 22 HB3 LEU 3 2HB LEU 3 12.749 -2.013 19.777 23 HG LEU 3 HG LEU 3 14.920 -0.460 21.131 24 HD11 LEU 3 1HD1 LEU 3 13.062 -0.093 22.675 25 HD12 LEU 3 2HD1 LEU 3 14.175 -1.276 23.362 26 HD13 LEU 3 3HD1 LEU 3 12.658 -1.809 22.636 27 HD21 LEU 3 1HD2 LEU 3 14.103 -3.319 20.727 28 HD22 LEU 3 2HD2 LEU 3 15.141 -2.932 22.098 29 HD23 LEU 3 3HD2 LEU 3 15.671 -2.561 20.462 30 H LEU 4 H LEU 4 13.431 -1.937 16.898 31 HA LEU 4 HA LEU 4 15.537 -3.751 17.235 32 HB2 LEU 4 1HB LEU 4 13.345 -3.610 15.619 33 HB3 LEU 4 2HB LEU 4 14.617 -3.287 14.453 34 HG LEU 4 HG LEU 4 14.188 -5.666 14.503 35 HD11 LEU 4 1HD1 LEU 4 16.580 -4.901 14.345 36 HD12 LEU 4 2HD1 LEU 4 16.385 -6.536 14.976 37 HD13 LEU 4 3HD1 LEU 4 16.731 -5.200 16.076 38 HD21 LEU 4 1HD2 LEU 4 14.963 -5.797 17.406 39 HD22 LEU 4 2HD2 LEU 4 14.083 -6.981 16.440 40 HD23 LEU 4 3HD2 LEU 4 13.290 -5.487 16.941 41 H GLU 5 H GLU 5 15.588 -0.552 15.930 42 HA GLU 5 HA GLU 5 17.676 -0.922 14.023 43 HB2 GLU 5 1HB GLU 5 16.690 1.574 15.416 44 HB3 GLU 5 2HB GLU 5 17.794 1.557 14.040 45 HG2 GLU 5 1HG GLU 5 16.082 0.332 12.716 46 HG3 GLU 5 2HG GLU 5 14.976 0.446 14.078 47 H GLY 6 H GLY 6 17.729 -0.320 17.496 48 HA2 GLY 6 1HA GLY 6 19.497 -0.552 18.954 49 HA3 GLY 6 2HA GLY 6 20.424 -1.201 17.610 50 H GLU 7 H GLU 7 19.019 2.004 17.436 51 HA GLU 7 HA GLU 7 21.393 3.295 16.735 52 HB2 GLU 7 1HB GLU 7 19.095 4.125 16.303 53 HB3 GLU 7 2HB GLU 7 18.947 4.527 18.012 54 HG2 GLU 7 1HG GLU 7 19.592 6.532 16.847 55 HG3 GLU 7 2HG GLU 7 20.988 5.987 17.764 56 H ILE 8 H ILE 8 20.381 2.344 19.892 57 HA ILE 8 HA ILE 8 20.965 4.623 21.380 58 HB ILE 8 HB ILE 8 21.050 1.753 22.310 59 HG12 ILE 8 1HG1 ILE 8 18.764 3.740 22.403 60 HG13 ILE 8 2HG1 ILE 8 18.921 2.516 21.147 61 HG21 ILE 8 1HG2 ILE 8 22.029 3.379 23.928 62 HG22 ILE 8 2HG2 ILE 8 20.516 2.687 24.513 63 HG23 ILE 8 3HG2 ILE 8 20.539 4.320 23.848 64 HD11 ILE 8 1HD1 ILE 8 18.932 0.748 22.878 65 HD12 ILE 8 2HD1 ILE 8 17.453 1.707 22.941 66 HD13 ILE 8 3HD1 ILE 8 18.733 1.980 24.124 67 HA PRO 9 HA PRO 9 25.428 2.756 22.288 68 HB2 PRO 9 1HB PRO 9 26.221 2.522 19.415 69 HB3 PRO 9 2HB PRO 9 26.766 1.578 20.820 70 HG2 PRO 9 1HG PRO 9 25.055 0.524 19.133 71 HG3 PRO 9 2HG PRO 9 24.825 0.307 20.881 72 HD2 PRO 9 1HD PRO 9 23.407 2.191 19.023 73 HD3 PRO 9 2HD PRO 9 22.732 1.205 20.342 74 H PHE 10 H PHE 10 27.108 4.192 22.504 75 HA PHE 10 HA PHE 10 26.603 6.876 22.014 76 HB2 PHE 10 1HB PHE 10 29.186 5.453 22.637 77 HB3 PHE 10 2HB PHE 10 29.036 7.200 22.588 78 HD1 PHE 10 HD1 PHE 10 27.587 4.164 24.229 79 HD2 PHE 10 HD2 PHE 10 28.375 8.378 24.502 80 HE1 PHE 10 HE1 PHE 10 26.803 4.158 26.580 81 HE2 PHE 10 HE2 PHE 10 27.591 8.371 26.855 82 HZ PHE 10 HZ PHE 10 26.804 6.261 27.895 83 HA PRO 11 HA PRO 11 27.519 7.581 17.803 84 HB2 PRO 11 1HB PRO 11 29.150 9.961 18.506 85 HB3 PRO 11 2HB PRO 11 27.737 9.819 17.445 86 HG2 PRO 11 1HG PRO 11 27.565 10.924 19.854 87 HG3 PRO 11 2HG PRO 11 26.251 9.939 19.182 88 HD2 PRO 11 1HD PRO 11 28.249 9.218 21.289 89 HD3 PRO 11 2HD PRO 11 26.539 8.754 21.133 90 HA PRO 12 HA PRO 12 32.427 7.639 17.701 91 HB2 PRO 12 1HB PRO 12 32.828 5.811 20.031 92 HB3 PRO 12 2HB PRO 12 33.879 7.103 19.415 93 HG2 PRO 12 1HG PRO 12 32.451 7.474 21.600 94 HG3 PRO 12 2HG PRO 12 32.636 8.775 20.407 95 HD2 PRO 12 1HD PRO 12 30.276 7.008 20.908 96 HD3 PRO 12 2HD PRO 12 30.314 8.728 20.460 97 H THR 13 H THR 13 30.381 4.959 18.854 98 HA THR 13 HA THR 13 31.616 2.881 17.408 99 HB THR 13 HB THR 13 29.451 1.739 17.533 100 HG1 THR 13 HG1 THR 13 28.114 3.478 17.048 101 HG21 THR 13 1HG2 THR 13 29.090 1.975 20.007 102 HG22 THR 13 2HG2 THR 13 30.194 3.351 19.988 103 HG23 THR 13 3HG2 THR 13 30.780 1.744 19.558 104 H SER 14 H SER 14 29.219 5.312 16.397 105 HA SER 14 HA SER 14 28.825 4.390 13.774 106 HB2 SER 14 1HB SER 14 28.904 7.272 14.697 107 HB3 SER 14 2HB SER 14 28.113 6.653 13.254 108 HG SER 14 HG SER 14 27.067 6.891 15.617 109 H ILE 15 H ILE 15 31.377 6.448 15.159 110 HA ILE 15 HA ILE 15 32.666 7.091 12.736 111 HB ILE 15 HB ILE 15 33.978 6.632 15.429 112 HG12 ILE 15 1HG1 ILE 15 32.923 9.199 14.207 113 HG13 ILE 15 2HG1 ILE 15 32.058 8.266 15.429 114 HG21 ILE 15 1HG2 ILE 15 35.503 6.770 13.434 115 HG22 ILE 15 2HG2 ILE 15 35.726 8.087 14.585 116 HG23 ILE 15 3HG2 ILE 15 34.830 8.364 13.091 117 HD11 ILE 15 1HD1 ILE 15 34.218 8.451 16.831 118 HD12 ILE 15 2HD1 ILE 15 33.231 9.904 16.673 119 HD13 ILE 15 3HD1 ILE 15 34.690 9.718 15.700 120 H LEU 16 H LEU 16 32.861 4.183 14.763 121 HA LEU 16 HA LEU 16 34.975 2.921 13.387 122 HB2 LEU 16 1HB LEU 16 32.561 1.588 14.638 123 HB3 LEU 16 2HB LEU 16 34.096 0.817 14.251 124 HG LEU 16 HG LEU 16 33.780 3.135 16.179 125 HD11 LEU 16 1HD1 LEU 16 32.746 1.097 17.071 126 HD12 LEU 16 2HD1 LEU 16 34.261 1.419 17.915 127 HD13 LEU 16 3HD1 LEU 16 34.193 0.170 16.671 128 HD21 LEU 16 1HD2 LEU 16 35.992 3.232 15.395 129 HD22 LEU 16 2HD2 LEU 16 36.096 1.484 15.192 130 HD23 LEU 16 3HD2 LEU 16 36.143 2.186 16.808 131 H LEU 17 H LEU 17 31.504 3.103 12.654 132 HA LEU 17 HA LEU 17 31.509 1.348 10.451 133 HB2 LEU 17 1HB LEU 17 29.864 3.876 10.714 134 HB3 LEU 17 2HB LEU 17 29.515 2.497 9.679 135 HG LEU 17 HG LEU 17 29.678 2.382 12.705 136 HD11 LEU 17 1HD1 LEU 17 27.199 2.020 12.513 137 HD12 LEU 17 2HD1 LEU 17 27.318 2.428 10.800 138 HD13 LEU 17 3HD1 LEU 17 27.712 3.635 12.024 139 HD21 LEU 17 1HD2 LEU 17 29.021 0.359 10.551 140 HD22 LEU 17 2HD2 LEU 17 28.515 0.140 12.227 141 HD23 LEU 17 3HD2 LEU 17 30.231 0.230 11.828 142 H LEU 18 H LEU 18 32.431 4.765 10.670 143 HA LEU 18 HA LEU 18 32.853 5.209 7.916 144 HB2 LEU 18 1HB LEU 18 34.471 6.377 10.191 145 HB3 LEU 18 2HB LEU 18 34.331 7.023 8.562 146 HG LEU 18 HG LEU 18 32.004 6.677 10.474 147 HD11 LEU 18 1HD1 LEU 18 32.096 9.070 10.786 148 HD12 LEU 18 2HD1 LEU 18 33.377 9.229 9.585 149 HD13 LEU 18 3HD1 LEU 18 33.704 8.433 11.124 150 HD21 LEU 18 1HD2 LEU 18 31.173 6.589 8.245 151 HD22 LEU 18 2HD2 LEU 18 32.310 7.816 7.689 152 HD23 LEU 18 3HD2 LEU 18 30.963 8.270 8.735 153 H LEU 19 H LEU 19 34.937 3.720 10.369 154 HA LEU 19 HA LEU 19 37.216 3.348 8.759 155 HB2 LEU 19 1HB LEU 19 37.089 2.864 11.221 156 HB3 LEU 19 2HB LEU 19 36.217 1.383 10.825 157 HG LEU 19 HG LEU 19 38.156 0.782 9.298 158 HD11 LEU 19 1HD1 LEU 19 39.329 2.780 8.948 159 HD12 LEU 19 2HD1 LEU 19 40.325 1.972 10.158 160 HD13 LEU 19 3HD1 LEU 19 39.216 3.255 10.643 161 HD21 LEU 19 1HD2 LEU 19 37.871 -0.264 11.498 162 HD22 LEU 19 2HD2 LEU 19 38.676 1.100 12.273 163 HD23 LEU 19 3HD2 LEU 19 39.583 0.035 11.200 164 H ALA 20 H ALA 20 34.203 1.523 8.935 165 HA ALA 20 HA ALA 20 34.949 -0.660 7.323 166 HB1 ALA 20 1HB ALA 20 32.685 -1.156 7.183 167 HB2 ALA 20 2HB ALA 20 32.213 0.542 7.095 168 HB3 ALA 20 3HB ALA 20 32.730 -0.152 8.633 169 H CYS 21 H CYS 21 33.769 2.570 6.454 170 HA CYS 21 HA CYS 21 33.599 2.162 3.668 171 HB2 CYS 21 1HB CYS 21 34.350 4.685 5.166 172 HB3 CYS 21 2HB CYS 21 33.859 4.610 3.475 173 HG CYS 21 HG CYS 21 31.478 4.278 4.154 174 H ILE 22 H ILE 22 36.336 3.121 5.721 175 HA ILE 22 HA ILE 22 38.219 3.489 3.656 176 HB ILE 22 HB ILE 22 38.703 2.481 6.473 177 HG12 ILE 22 1HG1 ILE 22 38.843 5.293 5.346 178 HG13 ILE 22 2HG1 ILE 22 37.469 4.670 6.253 179 HG21 ILE 22 1HG2 ILE 22 40.975 3.347 6.151 180 HG22 ILE 22 2HG2 ILE 22 40.569 3.863 4.513 181 HG23 ILE 22 3HG2 ILE 22 40.619 2.145 4.910 182 HD11 ILE 22 1HD1 ILE 22 38.535 4.895 8.240 183 HD12 ILE 22 2HD1 ILE 22 39.634 5.955 7.364 184 HD13 ILE 22 3HD1 ILE 22 40.061 4.266 7.619 185 H PHE 23 H PHE 23 37.132 0.536 5.313 186 HA PHE 23 HA PHE 23 38.994 -1.232 4.183 187 HB2 PHE 23 1HB PHE 23 37.353 -1.826 5.954 188 HB3 PHE 23 2HB PHE 23 36.089 -1.824 4.741 189 HD1 PHE 23 HD1 PHE 23 39.107 -3.556 5.968 190 HD2 PHE 23 HD2 PHE 23 35.871 -3.630 3.144 191 HE1 PHE 23 HE1 PHE 23 39.622 -5.924 5.439 192 HE2 PHE 23 HE2 PHE 23 36.385 -5.997 2.616 193 HZ PHE 23 HZ PHE 23 38.261 -7.144 3.762 194 H LEU 24 H LEU 24 35.977 0.067 2.821 195 HA LEU 24 HA LEU 24 35.947 -1.410 0.446 196 HB2 LEU 24 1HB LEU 24 34.339 0.453 1.447 197 HB3 LEU 24 2HB LEU 24 35.272 1.507 0.397 198 HG LEU 24 HG LEU 24 33.287 0.763 -0.778 199 HD11 LEU 24 1HD1 LEU 24 35.667 0.773 -1.902 200 HD12 LEU 24 2HD1 LEU 24 34.271 0.153 -2.780 201 HD13 LEU 24 3HD1 LEU 24 35.395 -0.966 -2.010 202 HD21 LEU 24 1HD2 LEU 24 33.209 -1.411 0.670 203 HD22 LEU 24 2HD2 LEU 24 34.191 -2.098 -0.624 204 HD23 LEU 24 3HD2 LEU 24 32.589 -1.454 -0.980 205 H ILE 25 H ILE 25 37.752 1.568 1.237 206 HA ILE 25 HA ILE 25 39.011 1.874 -1.258 207 HB ILE 25 HB ILE 25 40.217 2.484 1.454 208 HG12 ILE 25 1HG1 ILE 25 38.608 4.256 -0.411 209 HG13 ILE 25 2HG1 ILE 25 37.951 3.497 1.038 210 HG21 ILE 25 1HG2 ILE 25 41.820 2.508 -0.445 211 HG22 ILE 25 2HG2 ILE 25 41.548 4.122 0.213 212 HG23 ILE 25 3HG2 ILE 25 40.768 3.641 -1.294 213 HD11 ILE 25 1HD1 ILE 25 38.588 5.699 1.704 214 HD12 ILE 25 2HD1 ILE 25 40.133 5.582 0.863 215 HD13 ILE 25 3HD1 ILE 25 39.850 4.633 2.322 216 H ALA 26 H ALA 26 39.757 -0.312 1.414 217 HA ALA 26 HA ALA 26 42.276 -1.170 0.532 218 HB1 ALA 26 1HB ALA 26 42.066 -2.943 2.054 219 HB2 ALA 26 2HB ALA 26 40.313 -3.013 1.870 220 HB3 ALA 26 3HB ALA 26 41.056 -1.673 2.743 221 H ILE 27 H ILE 27 39.059 -2.613 -0.148 222 HA ILE 27 HA ILE 27 40.072 -4.659 -1.798 223 HB ILE 27 HB ILE 27 37.805 -4.732 -0.900 224 HG12 ILE 27 1HG1 ILE 27 37.629 -4.688 -3.912 225 HG13 ILE 27 2HG1 ILE 27 38.534 -5.930 -3.046 226 HG21 ILE 27 1HG2 ILE 27 36.061 -3.406 -2.301 227 HG22 ILE 27 2HG2 ILE 27 37.407 -2.335 -2.671 228 HG23 ILE 27 3HG2 ILE 27 36.913 -2.586 -0.998 229 HD11 ILE 27 1HD1 ILE 27 36.302 -6.778 -3.428 230 HD12 ILE 27 2HD1 ILE 27 35.582 -5.306 -2.775 231 HD13 ILE 27 3HD1 ILE 27 36.453 -6.409 -1.710 232 H LEU 28 H LEU 28 39.298 -1.285 -2.526 233 HA LEU 28 HA LEU 28 39.582 -1.426 -5.326 234 HB2 LEU 28 1HB LEU 28 38.837 0.592 -4.054 235 HB3 LEU 28 2HB LEU 28 40.506 0.835 -3.543 236 HG LEU 28 HG LEU 28 41.149 0.844 -5.995 237 HD11 LEU 28 1HD1 LEU 28 39.164 1.476 -7.501 238 HD12 LEU 28 2HD1 LEU 28 38.134 0.836 -6.220 239 HD13 LEU 28 3HD1 LEU 28 39.289 -0.219 -7.033 240 HD21 LEU 28 1HD2 LEU 28 39.156 2.993 -5.218 241 HD22 LEU 28 2HD2 LEU 28 40.546 3.161 -6.292 242 HD23 LEU 28 3HD2 LEU 28 40.791 2.906 -4.564 243 H ALA 29 H ALA 29 42.014 -1.226 -2.760 244 HA ALA 29 HA ALA 29 44.290 -0.972 -4.395 245 HB1 ALA 29 1HB ALA 29 45.559 -1.670 -2.513 246 HB2 ALA 29 2HB ALA 29 44.201 -2.575 -1.842 247 HB3 ALA 29 3HB ALA 29 44.165 -0.812 -1.855 248 H ALA 30 H ALA 30 42.484 -3.833 -3.355 249 HA ALA 30 HA ALA 30 44.215 -5.788 -4.401 250 HB1 ALA 30 1HB ALA 30 41.195 -5.878 -4.204 251 HB2 ALA 30 2HB ALA 30 42.317 -6.307 -2.914 252 HB3 ALA 30 3HB ALA 30 42.261 -7.271 -4.390 253 H SER 31 H SER 31 41.558 -3.991 -5.927 254 HA SER 31 HA SER 31 41.608 -5.258 -8.428 255 HB2 SER 31 1HB SER 31 41.080 -2.325 -7.899 256 HB3 SER 31 2HB SER 31 40.550 -3.254 -9.297 257 HG SER 31 HG SER 31 39.325 -4.545 -7.869 258 H ALA 32 H ALA 32 43.595 -2.593 -7.170 259 HA ALA 32 HA ALA 32 44.981 -2.006 -9.543 260 HB1 ALA 32 1HB ALA 32 46.416 -0.755 -8.227 261 HB2 ALA 32 2HB ALA 32 46.406 -1.931 -6.913 262 HB3 ALA 32 3HB ALA 32 45.017 -0.872 -7.158 263 H LEU 33 H LEU 33 45.602 -4.434 -7.022 264 HA LEU 33 HA LEU 33 48.049 -5.398 -8.030 265 HB2 LEU 33 1HB LEU 33 47.066 -6.012 -5.819 266 HB3 LEU 33 2HB LEU 33 45.894 -7.024 -6.665 267 HG LEU 33 HG LEU 33 47.862 -8.219 -7.739 268 HD11 LEU 33 1HD1 LEU 33 49.972 -7.968 -6.210 269 HD12 LEU 33 2HD1 LEU 33 49.278 -6.396 -5.810 270 HD13 LEU 33 3HD1 LEU 33 49.691 -6.779 -7.481 271 HD21 LEU 33 1HD2 LEU 33 47.562 -8.277 -4.719 272 HD22 LEU 33 2HD2 LEU 33 48.377 -9.524 -5.663 273 HD23 LEU 33 3HD2 LEU 33 46.650 -9.239 -5.883 274 H TRP 34 H TRP 34 44.699 -6.202 -8.898 275 HA TRP 34 HA TRP 34 45.259 -8.266 -10.730 276 HB2 TRP 34 1HB TRP 34 42.989 -7.538 -9.929 277 HB3 TRP 34 2HB TRP 34 43.103 -6.180 -11.033 278 HD1 TRP 34 HD1 TRP 34 42.356 -6.575 -13.444 279 HE1 TRP 34 HE1 TRP 34 41.623 -8.635 -14.809 280 HE3 TRP 34 HE3 TRP 34 43.499 -10.287 -10.127 281 HZ2 TRP 34 HZ2 TRP 34 41.535 -11.483 -14.533 282 HZ3 TRP 34 HZ3 TRP 34 43.081 -12.658 -10.702 283 HH2 TRP 34 HH2 TRP 34 42.101 -13.262 -12.896 284 H ALA 35 H ALA 35 45.425 -4.755 -11.090 285 HA ALA 35 HA ALA 35 45.928 -4.653 -13.858 286 HB1 ALA 35 1HB ALA 35 47.320 -2.816 -11.938 287 HB2 ALA 35 2HB ALA 35 45.570 -2.734 -12.130 288 HB3 ALA 35 3HB ALA 35 46.622 -2.454 -13.516 289 H ALA 36 H ALA 36 48.116 -5.121 -11.119 290 HA ALA 36 HA ALA 36 50.530 -5.161 -12.553 291 HB1 ALA 36 1HB ALA 36 50.291 -5.100 -10.055 292 HB2 ALA 36 2HB ALA 36 51.485 -6.260 -10.640 293 HB3 ALA 36 3HB ALA 36 49.901 -6.819 -10.105 294 H ALA 37 H ALA 37 48.199 -7.760 -11.918 295 HA ALA 37 HA ALA 37 49.700 -9.886 -12.964 296 HB1 ALA 37 1HB ALA 37 47.390 -9.853 -11.742 297 HB2 ALA 37 2HB ALA 37 47.729 -11.118 -12.923 298 HB3 ALA 37 3HB ALA 37 46.736 -9.733 -13.376 299 H TRP 38 H TRP 38 47.487 -7.632 -14.596 300 HA TRP 38 HA TRP 38 47.707 -8.638 -17.187 301 HB2 TRP 38 1HB TRP 38 47.324 -5.836 -16.172 302 HB3 TRP 38 2HB TRP 38 47.317 -6.223 -17.883 303 HD1 TRP 38 HD1 TRP 38 44.992 -5.612 -15.263 304 HE1 TRP 38 HE1 TRP 38 42.728 -6.774 -15.656 305 HE3 TRP 38 HE3 TRP 38 46.335 -8.957 -18.880 306 HZ2 TRP 38 HZ2 TRP 38 41.627 -8.854 -17.289 307 HZ3 TRP 38 HZ3 TRP 38 44.664 -10.512 -19.834 308 HH2 TRP 38 HH2 TRP 38 42.315 -10.468 -19.045 309 H HIS 39 H HIS 39 50.081 -6.905 -15.325 310 HA HIS 39 HA HIS 39 51.588 -5.706 -17.343 311 HB2 HIS 39 1HB HIS 39 51.799 -5.544 -14.775 312 HB3 HIS 39 2HB HIS 39 52.833 -6.954 -14.913 313 HD1 HIS 39 HD1 HIS 39 52.605 -3.362 -16.113 314 HD2 HIS 39 HD2 HIS 39 55.456 -6.369 -15.665 315 HE1 HIS 39 HE1 HIS 39 54.849 -2.299 -16.606 316 H GLY 40 H GLY 40 53.290 -6.339 -18.603 317 HA2 GLY 40 1HA GLY 40 53.516 -8.964 -19.536 318 HA3 GLY 40 2HA GLY 40 54.744 -7.716 -19.735 319 H GLN 41 H GLN 41 55.065 -10.606 -19.158 320 HA GLN 41 HA GLN 41 55.683 -11.141 -16.488 321 HB2 GLN 41 1HB GLN 41 56.990 -12.229 -18.994 322 HB3 GLN 41 2HB GLN 41 57.148 -12.927 -17.381 323 HG2 GLN 41 1HG GLN 41 54.741 -13.311 -17.268 324 HG3 GLN 41 2HG GLN 41 54.519 -12.536 -18.834 325 HE21 GLN 41 1HE2 GLN 41 53.725 -15.259 -18.350 326 HE22 GLN 41 2HE2 GLN 41 54.709 -16.268 -19.296 327 H LYS 42 H LYS 42 57.595 -11.052 -15.289 328 HA LYS 42 HA LYS 42 58.908 -8.611 -15.428 329 HB2 LYS 42 1HB LYS 42 59.579 -11.134 -13.939 330 HB3 LYS 42 2HB LYS 42 60.443 -9.613 -13.704 331 HG2 LYS 42 1HG LYS 42 58.296 -8.492 -13.173 332 HG3 LYS 42 2HG LYS 42 57.461 -10.034 -13.351 333 HD2 LYS 42 1HD LYS 42 59.133 -10.919 -11.586 334 HD3 LYS 42 2HD LYS 42 59.457 -9.218 -11.244 335 HE2 LYS 42 1HE LYS 42 56.852 -9.013 -11.110 336 HE3 LYS 42 2HE LYS 42 56.901 -10.760 -10.880 337 HZ1 LYS 42 1HZ LYS 42 58.413 -8.788 -9.254 338 HZ2 LYS 42 2HZ LYS 42 58.363 -10.469 -9.009 339 HZ3 LYS 42 3HZ LYS 42 56.964 -9.533 -8.778 340 HA PRO 43 HA PRO 43 62.792 -10.873 -17.431 341 HB2 PRO 43 1HB PRO 43 61.166 -12.214 -19.554 342 HB3 PRO 43 2HB PRO 43 62.719 -12.702 -18.845 343 HG2 PRO 43 1HG PRO 43 60.476 -13.923 -18.160 344 HG3 PRO 43 2HG PRO 43 61.738 -13.585 -16.960 345 HD2 PRO 43 1HD PRO 43 59.113 -12.222 -17.354 346 HD3 PRO 43 2HD PRO 43 60.021 -12.506 -15.855 347 H GLY 44 H GLY 44 63.782 -9.635 -18.994 348 HA2 GLY 44 1HA GLY 44 62.521 -7.350 -19.993 349 HA3 GLY 44 2HA GLY 44 64.053 -7.989 -20.579 350 H THR 45 H THR 45 61.710 -6.782 -22.005 351 HA THR 45 HA THR 45 60.245 -8.678 -23.443 352 HB THR 45 HB THR 45 59.932 -6.920 -25.121 353 HG1 THR 45 HG1 THR 45 61.924 -6.043 -25.313 354 HG21 THR 45 1HG2 THR 45 58.701 -6.766 -22.983 355 HG22 THR 45 2HG2 THR 45 59.065 -5.167 -23.632 356 HG23 THR 45 3HG2 THR 45 60.019 -5.816 -22.299 357 H HIS 46 H HIS 46 60.566 -9.729 -25.397 358 HA HIS 46 HA HIS 46 63.390 -10.046 -26.178 359 HB2 HIS 46 1HB HIS 46 60.986 -11.761 -26.818 360 HB3 HIS 46 2HB HIS 46 62.645 -12.115 -27.259 361 HD1 HIS 46 HD1 HIS 46 60.204 -12.390 -24.501 362 HD2 HIS 46 HD2 HIS 46 64.323 -12.819 -24.974 363 HE1 HIS 46 HE1 HIS 46 61.040 -13.588 -22.434 Start of MODEL 11 1 H ARG 1 3H ARG 1 33.463 23.407 9.707 2 HA ARG 1 HA ARG 1 31.787 24.829 9.348 3 HB2 ARG 1 1HB ARG 1 32.777 24.325 7.100 4 HB3 ARG 1 2HB ARG 1 31.487 23.148 6.841 5 HG2 ARG 1 1HG ARG 1 29.806 24.946 7.157 6 HG3 ARG 1 2HG ARG 1 31.114 26.116 7.344 7 HD2 ARG 1 1HD ARG 1 31.946 25.480 5.075 8 HD3 ARG 1 2HD ARG 1 30.543 24.431 4.891 9 HE ARG 1 HE ARG 1 30.575 27.342 4.797 10 HH11 ARG 1 1HH1 ARG 1 28.580 24.466 5.070 11 HH12 ARG 1 2HH1 ARG 1 27.147 25.290 4.555 12 HH21 ARG 1 1HH2 ARG 1 28.697 28.349 4.141 13 HH22 ARG 1 2HH2 ARG 1 27.214 27.462 4.036 14 H SER 2 H SER 2 30.719 21.524 8.604 15 HA SER 2 HA SER 2 27.956 21.925 8.685 16 HB2 SER 2 1HB SER 2 29.496 19.484 9.584 17 HB3 SER 2 2HB SER 2 27.791 19.534 9.152 18 HG SER 2 HG SER 2 30.075 19.903 7.531 19 H LEU 3 H LEU 3 30.248 21.809 11.324 20 HA LEU 3 HA LEU 3 28.594 21.063 13.446 21 HB2 LEU 3 1HB LEU 3 31.063 21.352 13.545 22 HB3 LEU 3 2HB LEU 3 30.828 23.099 13.513 23 HG LEU 3 HG LEU 3 29.373 22.850 15.567 24 HD11 LEU 3 1HD1 LEU 3 30.346 20.020 15.226 25 HD12 LEU 3 2HD1 LEU 3 28.720 20.592 15.600 26 HD13 LEU 3 3HD1 LEU 3 29.979 20.646 16.833 27 HD21 LEU 3 1HD2 LEU 3 32.181 21.784 15.949 28 HD22 LEU 3 2HD2 LEU 3 31.247 22.779 17.066 29 HD23 LEU 3 3HD2 LEU 3 31.845 23.470 15.558 30 H LEU 4 H LEU 4 28.646 24.061 11.663 31 HA LEU 4 HA LEU 4 27.662 25.841 13.597 32 HB2 LEU 4 1HB LEU 4 27.148 25.847 10.615 33 HB3 LEU 4 2HB LEU 4 26.931 27.215 11.705 34 HG LEU 4 HG LEU 4 29.565 25.786 11.233 35 HD11 LEU 4 1HD1 LEU 4 28.946 27.003 9.236 36 HD12 LEU 4 2HD1 LEU 4 30.158 27.957 10.091 37 HD13 LEU 4 3HD1 LEU 4 28.455 28.406 10.187 38 HD21 LEU 4 1HD2 LEU 4 29.699 26.746 13.382 39 HD22 LEU 4 2HD2 LEU 4 28.690 28.119 12.931 40 HD23 LEU 4 3HD2 LEU 4 30.350 28.014 12.345 41 H GLU 5 H GLU 5 26.033 23.285 11.907 42 HA GLU 5 HA GLU 5 23.401 24.385 11.995 43 HB2 GLU 5 1HB GLU 5 24.175 22.547 10.473 44 HB3 GLU 5 2HB GLU 5 24.167 21.465 11.864 45 HG2 GLU 5 1HG GLU 5 22.060 21.183 10.752 46 HG3 GLU 5 2HG GLU 5 21.742 22.097 12.221 47 H GLY 6 H GLY 6 25.329 22.670 14.372 48 HA2 GLY 6 1HA GLY 6 24.945 22.685 16.667 49 HA3 GLY 6 2HA GLY 6 23.339 23.327 16.373 50 H GLU 7 H GLU 7 23.294 20.775 14.369 51 HA GLU 7 HA GLU 7 21.637 19.168 15.949 52 HB2 GLU 7 1HB GLU 7 23.329 18.385 13.564 53 HB3 GLU 7 2HB GLU 7 22.032 17.404 14.247 54 HG2 GLU 7 1HG GLU 7 20.444 19.278 13.849 55 HG3 GLU 7 2HG GLU 7 21.743 20.185 13.086 56 H ILE 8 H ILE 8 21.966 17.318 17.169 57 HA ILE 8 HA ILE 8 24.302 17.129 18.669 58 HB ILE 8 HB ILE 8 23.428 14.981 19.473 59 HG12 ILE 8 1HG1 ILE 8 21.021 14.496 18.338 60 HG13 ILE 8 2HG1 ILE 8 21.843 15.180 16.939 61 HG21 ILE 8 1HG2 ILE 8 21.219 15.834 20.229 62 HG22 ILE 8 2HG2 ILE 8 21.329 17.121 19.028 63 HG23 ILE 8 3HG2 ILE 8 22.487 17.055 20.356 64 HD11 ILE 8 1HD1 ILE 8 21.964 12.569 17.546 65 HD12 ILE 8 2HD1 ILE 8 23.335 13.121 18.503 66 HD13 ILE 8 3HD1 ILE 8 23.299 13.408 16.764 67 HA PRO 9 HA PRO 9 27.144 15.014 15.951 68 HB2 PRO 9 1HB PRO 9 28.418 13.319 17.759 69 HB3 PRO 9 2HB PRO 9 28.855 15.012 17.466 70 HG2 PRO 9 1HG PRO 9 27.230 13.833 19.652 71 HG3 PRO 9 2HG PRO 9 28.394 15.170 19.698 72 HD2 PRO 9 1HD PRO 9 25.732 15.625 19.724 73 HD3 PRO 9 2HD PRO 9 26.859 16.726 18.900 74 H PHE 10 H PHE 10 27.122 13.150 14.712 75 HA PHE 10 HA PHE 10 25.042 11.299 14.875 76 HB2 PHE 10 1HB PHE 10 27.771 10.960 13.622 77 HB3 PHE 10 2HB PHE 10 26.395 9.914 13.331 78 HD1 PHE 10 HD1 PHE 10 27.829 13.266 12.776 79 HD2 PHE 10 HD2 PHE 10 24.564 10.614 11.904 80 HE1 PHE 10 HE1 PHE 10 27.093 14.773 10.949 81 HE2 PHE 10 HE2 PHE 10 23.828 12.120 10.077 82 HZ PHE 10 HZ PHE 10 25.092 14.200 9.599 83 HA PRO 11 HA PRO 11 26.150 8.703 18.250 84 HB2 PRO 11 1HB PRO 11 25.514 6.304 16.604 85 HB3 PRO 11 2HB PRO 11 24.857 6.802 18.176 86 HG2 PRO 11 1HG PRO 11 23.437 7.019 15.935 87 HG3 PRO 11 2HG PRO 11 23.317 8.215 17.240 88 HD2 PRO 11 1HD PRO 11 24.705 8.446 14.602 89 HD3 PRO 11 2HD PRO 11 23.877 9.696 15.559 90 HA PRO 12 HA PRO 12 30.359 7.699 17.315 91 HB2 PRO 12 1HB PRO 12 30.945 5.827 19.281 92 HB3 PRO 12 2HB PRO 12 30.976 7.585 19.506 93 HG2 PRO 12 1HG PRO 12 28.876 5.623 20.245 94 HG3 PRO 12 2HG PRO 12 29.423 7.076 21.102 95 HD2 PRO 12 1HD PRO 12 27.113 7.041 19.686 96 HD3 PRO 12 2HD PRO 12 28.118 8.502 19.818 97 H THR 13 H THR 13 28.112 4.995 17.805 98 HA THR 13 HA THR 13 29.660 2.981 16.592 99 HB THR 13 HB THR 13 27.630 2.446 17.815 100 HG1 THR 13 HG1 THR 13 27.063 1.805 15.139 101 HG21 THR 13 1HG2 THR 13 26.344 4.465 17.176 102 HG22 THR 13 2HG2 THR 13 25.420 2.986 16.910 103 HG23 THR 13 3HG2 THR 13 26.163 3.820 15.544 104 H SER 14 H SER 14 27.603 5.497 15.177 105 HA SER 14 HA SER 14 27.571 4.487 12.544 106 HB2 SER 14 1HB SER 14 27.500 7.381 13.413 107 HB3 SER 14 2HB SER 14 26.959 6.740 11.866 108 HG SER 14 HG SER 14 25.132 6.392 12.838 109 H ILE 15 H ILE 15 29.815 6.794 14.123 110 HA ILE 15 HA ILE 15 31.401 7.149 11.811 111 HB ILE 15 HB ILE 15 31.534 8.643 13.779 112 HG12 ILE 15 1HG1 ILE 15 34.236 7.500 13.064 113 HG13 ILE 15 2HG1 ILE 15 33.259 8.409 11.911 114 HG21 ILE 15 1HG2 ILE 15 31.710 7.450 15.732 115 HG22 ILE 15 2HG2 ILE 15 33.412 7.790 15.454 116 HG23 ILE 15 3HG2 ILE 15 32.750 6.213 15.036 117 HD11 ILE 15 1HD1 ILE 15 33.244 10.350 13.371 118 HD12 ILE 15 2HD1 ILE 15 34.913 9.835 13.138 119 HD13 ILE 15 3HD1 ILE 15 34.073 9.448 14.639 120 H LEU 16 H LEU 16 31.404 4.572 14.208 121 HA LEU 16 HA LEU 16 33.824 3.342 13.456 122 HB2 LEU 16 1HB LEU 16 32.409 2.645 15.398 123 HB3 LEU 16 2HB LEU 16 31.279 1.916 14.256 124 HG LEU 16 HG LEU 16 33.235 0.582 13.341 125 HD11 LEU 16 1HD1 LEU 16 35.114 1.827 14.129 126 HD12 LEU 16 2HD1 LEU 16 35.117 0.329 15.058 127 HD13 LEU 16 3HD1 LEU 16 34.515 1.816 15.788 128 HD21 LEU 16 1HD2 LEU 16 33.303 -0.909 15.465 129 HD22 LEU 16 2HD2 LEU 16 31.732 -0.619 14.717 130 HD23 LEU 16 3HD2 LEU 16 32.200 0.279 16.160 131 H LEU 17 H LEU 17 30.595 3.215 11.974 132 HA LEU 17 HA LEU 17 31.171 1.289 10.006 133 HB2 LEU 17 1HB LEU 17 29.413 3.730 9.673 134 HB3 LEU 17 2HB LEU 17 29.379 2.277 8.681 135 HG LEU 17 HG LEU 17 28.799 2.362 11.658 136 HD11 LEU 17 1HD1 LEU 17 26.930 3.357 10.625 137 HD12 LEU 17 2HD1 LEU 17 26.480 1.655 10.711 138 HD13 LEU 17 3HD1 LEU 17 27.064 2.336 9.193 139 HD21 LEU 17 1HD2 LEU 17 29.689 0.202 11.078 140 HD22 LEU 17 2HD2 LEU 17 28.747 0.147 9.588 141 HD23 LEU 17 3HD2 LEU 17 27.936 0.020 11.150 142 H LEU 18 H LEU 18 31.933 4.749 10.120 143 HA LEU 18 HA LEU 18 32.959 4.987 7.501 144 HB2 LEU 18 1HB LEU 18 32.634 6.910 9.079 145 HB3 LEU 18 2HB LEU 18 34.086 6.384 9.933 146 HG LEU 18 HG LEU 18 35.315 6.508 7.723 147 HD11 LEU 18 1HD1 LEU 18 32.633 7.622 6.941 148 HD12 LEU 18 2HD1 LEU 18 33.669 6.497 6.060 149 HD13 LEU 18 3HD1 LEU 18 34.094 8.207 6.143 150 HD21 LEU 18 1HD2 LEU 18 34.077 9.117 8.652 151 HD22 LEU 18 2HD2 LEU 18 35.648 8.903 7.880 152 HD23 LEU 18 3HD2 LEU 18 35.375 8.286 9.508 153 H LEU 19 H LEU 19 34.445 3.714 10.452 154 HA LEU 19 HA LEU 19 37.044 3.299 9.440 155 HB2 LEU 19 1HB LEU 19 36.236 2.935 11.819 156 HB3 LEU 19 2HB LEU 19 35.611 1.380 11.279 157 HG LEU 19 HG LEU 19 38.455 2.044 10.609 158 HD11 LEU 19 1HD1 LEU 19 39.266 1.357 12.768 159 HD12 LEU 19 2HD1 LEU 19 37.637 0.963 13.319 160 HD13 LEU 19 3HD1 LEU 19 38.092 2.645 13.043 161 HD21 LEU 19 1HD2 LEU 19 36.756 -0.382 11.093 162 HD22 LEU 19 2HD2 LEU 19 38.494 -0.510 11.360 163 HD23 LEU 19 3HD2 LEU 19 37.880 -0.053 9.777 164 H ALA 20 H ALA 20 34.088 1.406 9.041 165 HA ALA 20 HA ALA 20 35.196 -0.792 7.670 166 HB1 ALA 20 1HB ALA 20 32.747 -0.325 8.493 167 HB2 ALA 20 2HB ALA 20 33.019 -1.349 7.084 168 HB3 ALA 20 3HB ALA 20 32.536 0.333 6.870 169 H CYS 21 H CYS 21 34.163 2.393 6.503 170 HA CYS 21 HA CYS 21 34.523 1.912 3.751 171 HB2 CYS 21 1HB CYS 21 34.966 4.500 5.255 172 HB3 CYS 21 2HB CYS 21 34.753 4.342 3.514 173 HG CYS 21 HG CYS 21 32.313 4.283 3.881 174 H ILE 22 H ILE 22 36.843 2.843 6.268 175 HA ILE 22 HA ILE 22 39.056 3.290 4.578 176 HB ILE 22 HB ILE 22 39.105 2.110 7.363 177 HG12 ILE 22 1HG1 ILE 22 37.819 4.196 7.343 178 HG13 ILE 22 2HG1 ILE 22 39.375 4.453 8.122 179 HG21 ILE 22 1HG2 ILE 22 41.165 3.604 5.722 180 HG22 ILE 22 2HG2 ILE 22 41.252 1.924 6.252 181 HG23 ILE 22 3HG2 ILE 22 41.343 3.228 7.436 182 HD11 ILE 22 1HD1 ILE 22 38.631 5.217 5.281 183 HD12 ILE 22 2HD1 ILE 22 40.249 5.385 5.962 184 HD13 ILE 22 3HD1 ILE 22 38.911 6.319 6.627 185 H PHE 23 H PHE 23 37.739 0.274 5.940 186 HA PHE 23 HA PHE 23 39.732 -1.450 4.972 187 HB2 PHE 23 1HB PHE 23 37.856 -2.173 6.428 188 HB3 PHE 23 2HB PHE 23 36.774 -2.035 5.055 189 HD1 PHE 23 HD1 PHE 23 36.840 -3.645 3.224 190 HD2 PHE 23 HD2 PHE 23 39.510 -3.972 6.573 191 HE1 PHE 23 HE1 PHE 23 37.417 -5.956 2.537 192 HE2 PHE 23 HE2 PHE 23 40.086 -6.284 5.887 193 HZ PHE 23 HZ PHE 23 39.040 -7.276 3.869 194 H LEU 24 H LEU 24 36.972 0.004 3.276 195 HA LEU 24 HA LEU 24 37.231 -1.399 0.871 196 HB2 LEU 24 1HB LEU 24 35.353 0.141 1.459 197 HB3 LEU 24 2HB LEU 24 36.423 1.498 1.111 198 HG LEU 24 HG LEU 24 36.797 0.485 -1.185 199 HD11 LEU 24 1HD1 LEU 24 34.849 -1.046 -1.874 200 HD12 LEU 24 2HD1 LEU 24 34.595 -1.306 -0.149 201 HD13 LEU 24 3HD1 LEU 24 36.122 -1.775 -0.896 202 HD21 LEU 24 1HD2 LEU 24 35.126 2.346 -0.551 203 HD22 LEU 24 2HD2 LEU 24 33.884 1.098 -0.662 204 HD23 LEU 24 3HD2 LEU 24 34.851 1.509 -2.078 205 H ILE 25 H ILE 25 38.988 1.582 1.880 206 HA ILE 25 HA ILE 25 40.291 1.872 -0.595 207 HB ILE 25 HB ILE 25 41.889 3.298 0.381 208 HG12 ILE 25 1HG1 ILE 25 41.051 2.962 3.220 209 HG13 ILE 25 2HG1 ILE 25 41.985 1.628 2.571 210 HG21 ILE 25 1HG2 ILE 25 39.250 3.606 1.825 211 HG22 ILE 25 2HG2 ILE 25 39.582 4.114 0.169 212 HG23 ILE 25 3HG2 ILE 25 40.420 4.888 1.513 213 HD11 ILE 25 1HD1 ILE 25 43.771 3.158 1.903 214 HD12 ILE 25 2HD1 ILE 25 43.419 3.348 3.620 215 HD13 ILE 25 3HD1 ILE 25 42.820 4.535 2.461 216 H ALA 26 H ALA 26 41.011 -0.304 2.047 217 HA ALA 26 HA ALA 26 43.604 -1.022 1.168 218 HB1 ALA 26 1HB ALA 26 43.559 -2.611 2.838 219 HB2 ALA 26 2HB ALA 26 41.869 -3.025 2.548 220 HB3 ALA 26 3HB ALA 26 42.279 -1.536 3.400 221 H ILE 27 H ILE 27 40.514 -2.813 0.760 222 HA ILE 27 HA ILE 27 41.633 -4.784 -0.914 223 HB ILE 27 HB ILE 27 39.448 -5.003 0.239 224 HG12 ILE 27 1HG1 ILE 27 38.282 -6.063 -1.757 225 HG13 ILE 27 2HG1 ILE 27 39.591 -5.425 -2.752 226 HG21 ILE 27 1HG2 ILE 27 37.491 -3.930 -0.529 227 HG22 ILE 27 2HG2 ILE 27 38.265 -3.392 -2.019 228 HG23 ILE 27 3HG2 ILE 27 38.698 -2.647 -0.481 229 HD11 ILE 27 1HD1 ILE 27 41.216 -6.754 -1.686 230 HD12 ILE 27 2HD1 ILE 27 39.834 -7.839 -1.828 231 HD13 ILE 27 3HD1 ILE 27 40.184 -7.053 -0.288 232 H LEU 28 H LEU 28 40.419 -1.555 -1.658 233 HA LEU 28 HA LEU 28 40.309 -1.793 -4.459 234 HB2 LEU 28 1HB LEU 28 39.478 0.157 -3.157 235 HB3 LEU 28 2HB LEU 28 41.150 0.633 -2.859 236 HG LEU 28 HG LEU 28 41.491 0.669 -5.365 237 HD11 LEU 28 1HD1 LEU 28 38.502 0.219 -5.246 238 HD12 LEU 28 2HD1 LEU 28 39.702 -0.705 -6.149 239 HD13 LEU 28 3HD1 LEU 28 39.291 0.933 -6.652 240 HD21 LEU 28 1HD2 LEU 28 40.162 2.810 -5.657 241 HD22 LEU 28 2HD2 LEU 28 41.172 2.763 -4.213 242 HD23 LEU 28 3HD2 LEU 28 39.435 2.489 -4.083 243 H ALA 29 H ALA 29 43.050 -1.191 -2.280 244 HA ALA 29 HA ALA 29 45.003 -0.732 -4.250 245 HB1 ALA 29 1HB ALA 29 45.476 -2.267 -1.694 246 HB2 ALA 29 2HB ALA 29 45.265 -0.516 -1.730 247 HB3 ALA 29 3HB ALA 29 46.620 -1.259 -2.580 248 H ALA 30 H ALA 30 43.753 -3.750 -2.885 249 HA ALA 30 HA ALA 30 45.515 -5.501 -4.224 250 HB1 ALA 30 1HB ALA 30 43.423 -7.097 -4.022 251 HB2 ALA 30 2HB ALA 30 42.796 -5.794 -3.014 252 HB3 ALA 30 3HB ALA 30 44.308 -6.590 -2.585 253 H SER 31 H SER 31 42.419 -4.092 -5.246 254 HA SER 31 HA SER 31 42.158 -5.525 -7.647 255 HB2 SER 31 1HB SER 31 40.555 -3.919 -8.307 256 HB3 SER 31 2HB SER 31 40.447 -3.987 -6.552 257 HG SER 31 HG SER 31 41.239 -2.022 -6.432 258 H ALA 32 H ALA 32 44.039 -2.600 -6.918 259 HA ALA 32 HA ALA 32 44.766 -1.965 -9.558 260 HB1 ALA 32 1HB ALA 32 45.225 -0.537 -7.565 261 HB2 ALA 32 2HB ALA 32 46.641 -0.766 -8.590 262 HB3 ALA 32 3HB ALA 32 46.487 -1.671 -7.085 263 H LEU 33 H LEU 33 46.209 -4.225 -7.224 264 HA LEU 33 HA LEU 33 48.378 -5.039 -8.836 265 HB2 LEU 33 1HB LEU 33 46.853 -6.327 -6.599 266 HB3 LEU 33 2HB LEU 33 48.010 -7.284 -7.511 267 HG LEU 33 HG LEU 33 48.982 -6.272 -5.459 268 HD11 LEU 33 1HD1 LEU 33 51.035 -5.677 -6.444 269 HD12 LEU 33 2HD1 LEU 33 50.255 -4.980 -7.864 270 HD13 LEU 33 3HD1 LEU 33 50.274 -6.730 -7.637 271 HD21 LEU 33 1HD2 LEU 33 47.666 -4.169 -5.461 272 HD22 LEU 33 2HD2 LEU 33 48.548 -3.633 -6.891 273 HD23 LEU 33 3HD2 LEU 33 49.398 -3.858 -5.363 274 H TRP 34 H TRP 34 44.994 -6.109 -8.792 275 HA TRP 34 HA TRP 34 45.240 -8.203 -10.660 276 HB2 TRP 34 1HB TRP 34 43.159 -7.597 -9.371 277 HB3 TRP 34 2HB TRP 34 42.914 -6.293 -10.514 278 HD1 TRP 34 HD1 TRP 34 41.652 -6.845 -12.654 279 HE1 TRP 34 HE1 TRP 34 40.817 -9.010 -13.775 280 HE3 TRP 34 HE3 TRP 34 43.876 -10.315 -9.637 281 HZ2 TRP 34 HZ2 TRP 34 41.060 -11.843 -13.437 282 HZ3 TRP 34 HZ3 TRP 34 43.559 -12.733 -10.058 283 HH2 TRP 34 HH2 TRP 34 42.155 -13.502 -11.950 284 H ALA 35 H ALA 35 45.123 -4.712 -11.132 285 HA ALA 35 HA ALA 35 44.888 -4.665 -13.934 286 HB1 ALA 35 1HB ALA 35 45.015 -2.722 -12.152 287 HB2 ALA 35 2HB ALA 35 45.538 -2.446 -13.813 288 HB3 ALA 35 3HB ALA 35 46.733 -2.755 -12.554 289 H ALA 36 H ALA 36 47.735 -5.064 -11.858 290 HA ALA 36 HA ALA 36 49.674 -5.279 -13.888 291 HB1 ALA 36 1HB ALA 36 49.869 -5.329 -11.253 292 HB2 ALA 36 2HB ALA 36 51.091 -6.104 -12.262 293 HB3 ALA 36 3HB ALA 36 49.829 -7.075 -11.505 294 H ALA 37 H ALA 37 47.474 -7.720 -12.552 295 HA ALA 37 HA ALA 37 48.391 -9.946 -13.975 296 HB1 ALA 37 1HB ALA 37 45.467 -9.448 -13.482 297 HB2 ALA 37 2HB ALA 37 46.573 -9.788 -12.151 298 HB3 ALA 37 3HB ALA 37 46.351 -10.974 -13.438 299 H TRP 38 H TRP 38 46.291 -7.315 -15.023 300 HA TRP 38 HA TRP 38 45.308 -8.363 -17.392 301 HB2 TRP 38 1HB TRP 38 44.758 -6.143 -16.321 302 HB3 TRP 38 2HB TRP 38 46.221 -5.515 -17.053 303 HD1 TRP 38 HD1 TRP 38 45.906 -4.454 -19.336 304 HE1 TRP 38 HE1 TRP 38 44.122 -4.567 -21.193 305 HE3 TRP 38 HE3 TRP 38 42.836 -8.040 -17.390 306 HZ2 TRP 38 HZ2 TRP 38 41.707 -5.996 -21.778 307 HZ3 TRP 38 HZ3 TRP 38 40.808 -8.758 -18.613 308 HH2 TRP 38 HH2 TRP 38 40.238 -7.743 -20.800 309 H HIS 39 H HIS 39 48.576 -7.320 -16.712 310 HA HIS 39 HA HIS 39 49.472 -6.711 -19.286 311 HB2 HIS 39 1HB HIS 39 50.964 -8.014 -17.013 312 HB3 HIS 39 2HB HIS 39 51.715 -7.340 -18.445 313 HD1 HIS 39 HD1 HIS 39 50.031 -4.713 -18.622 314 HD2 HIS 39 HD2 HIS 39 51.812 -6.147 -15.136 315 HE1 HIS 39 HE1 HIS 39 50.327 -2.716 -17.097 316 H GLY 40 H GLY 40 48.706 -9.833 -17.915 317 HA2 GLY 40 1HA GLY 40 50.386 -11.498 -19.396 318 HA3 GLY 40 2HA GLY 40 48.804 -11.958 -18.785 319 H GLN 41 H GLN 41 47.401 -9.885 -20.374 320 HA GLN 41 HA GLN 41 46.801 -11.358 -22.679 321 HB2 GLN 41 1HB GLN 41 45.360 -9.587 -21.683 322 HB3 GLN 41 2HB GLN 41 46.490 -8.373 -22.278 323 HG2 GLN 41 1HG GLN 41 44.762 -8.494 -23.913 324 HG3 GLN 41 2HG GLN 41 46.123 -9.372 -24.604 325 HE21 GLN 41 1HE2 GLN 41 45.573 -11.380 -25.445 326 HE22 GLN 41 2HE2 GLN 41 44.248 -12.316 -24.944 327 H LYS 42 H LYS 42 47.581 -11.356 -24.754 328 HA LYS 42 HA LYS 42 50.103 -10.372 -25.433 329 HB2 LYS 42 1HB LYS 42 47.712 -11.144 -27.100 330 HB3 LYS 42 2HB LYS 42 49.215 -10.590 -27.838 331 HG2 LYS 42 1HG LYS 42 50.362 -12.365 -26.335 332 HG3 LYS 42 2HG LYS 42 48.744 -13.048 -26.159 333 HD2 LYS 42 1HD LYS 42 48.551 -13.495 -28.473 334 HD3 LYS 42 2HD LYS 42 49.888 -12.417 -28.879 335 HE2 LYS 42 1HE LYS 42 51.505 -13.918 -27.964 336 HE3 LYS 42 2HE LYS 42 50.260 -14.893 -27.184 337 HZ1 LYS 42 1HZ LYS 42 51.298 -15.639 -29.433 338 HZ2 LYS 42 2HZ LYS 42 50.184 -14.543 -30.097 339 HZ3 LYS 42 3HZ LYS 42 49.638 -15.845 -29.153 340 HA PRO 43 HA PRO 43 49.381 -5.981 -25.929 341 HB2 PRO 43 1HB PRO 43 51.043 -6.116 -28.399 342 HB3 PRO 43 2HB PRO 43 51.230 -5.083 -26.968 343 HG2 PRO 43 1HG PRO 43 52.853 -7.136 -27.399 344 HG3 PRO 43 2HG PRO 43 52.312 -6.714 -25.762 345 HD2 PRO 43 1HD PRO 43 51.397 -8.960 -27.522 346 HD3 PRO 43 2HD PRO 43 51.604 -8.921 -25.756 347 H GLY 44 H GLY 44 47.941 -4.677 -27.053 348 HA2 GLY 44 1HA GLY 44 45.999 -5.875 -28.667 349 HA3 GLY 44 2HA GLY 44 46.238 -4.141 -28.505 350 H THR 45 H THR 45 49.015 -4.317 -29.583 351 HA THR 45 HA THR 45 48.485 -3.765 -32.271 352 HB THR 45 HB THR 45 50.513 -2.960 -31.230 353 HG1 THR 45 HG1 THR 45 51.088 -4.890 -33.224 354 HG21 THR 45 1HG2 THR 45 52.361 -4.877 -31.019 355 HG22 THR 45 2HG2 THR 45 50.941 -5.869 -30.696 356 HG23 THR 45 3HG2 THR 45 51.292 -4.471 -29.678 357 H HIS 46 H HIS 46 48.696 -4.916 -34.164 358 HA HIS 46 HA HIS 46 48.228 -7.740 -34.041 359 HB2 HIS 46 1HB HIS 46 47.253 -6.354 -35.800 360 HB3 HIS 46 2HB HIS 46 48.852 -5.923 -36.373 361 HD1 HIS 46 HD1 HIS 46 46.897 -9.158 -35.787 362 HD2 HIS 46 HD2 HIS 46 49.592 -7.495 -38.499 363 HE1 HIS 46 HE1 HIS 46 47.234 -10.882 -37.610 Start of MODEL 12 1 H ARG 1 3H ARG 1 17.239 -10.505 30.902 2 HA ARG 1 HA ARG 1 18.176 -11.690 29.110 3 HB2 ARG 1 1HB ARG 1 15.174 -11.433 28.755 4 HB3 ARG 1 2HB ARG 1 16.159 -12.752 28.121 5 HG2 ARG 1 1HG ARG 1 16.891 -13.278 30.445 6 HG3 ARG 1 2HG ARG 1 15.805 -12.024 31.043 7 HD2 ARG 1 1HD ARG 1 13.913 -13.227 29.890 8 HD3 ARG 1 2HD ARG 1 15.036 -14.538 29.542 9 HE ARG 1 HE ARG 1 13.772 -13.996 32.053 10 HH11 ARG 1 1HH1 ARG 1 16.730 -15.277 30.663 11 HH12 ARG 1 2HH1 ARG 1 17.075 -16.256 32.049 12 HH21 ARG 1 1HH2 ARG 1 14.270 -15.276 33.811 13 HH22 ARG 1 2HH2 ARG 1 15.699 -16.255 33.808 14 H SER 2 H SER 2 15.553 -9.744 27.658 15 HA SER 2 HA SER 2 16.544 -9.790 25.044 16 HB2 SER 2 1HB SER 2 15.009 -7.973 24.598 17 HB3 SER 2 2HB SER 2 14.248 -9.108 25.707 18 HG SER 2 HG SER 2 15.495 -6.625 26.299 19 H LEU 3 H LEU 3 17.552 -7.817 27.749 20 HA LEU 3 HA LEU 3 18.635 -5.608 26.425 21 HB2 LEU 3 1HB LEU 3 18.367 -5.852 28.888 22 HB3 LEU 3 2HB LEU 3 19.741 -6.958 28.893 23 HG LEU 3 HG LEU 3 21.105 -5.124 27.810 24 HD11 LEU 3 1HD1 LEU 3 20.023 -2.792 28.341 25 HD12 LEU 3 2HD1 LEU 3 18.504 -3.686 28.273 26 HD13 LEU 3 3HD1 LEU 3 19.563 -3.637 26.863 27 HD21 LEU 3 1HD2 LEU 3 19.853 -4.582 30.520 28 HD22 LEU 3 2HD2 LEU 3 21.331 -3.822 29.929 29 HD23 LEU 3 3HD2 LEU 3 21.284 -5.563 30.208 30 H LEU 4 H LEU 4 19.846 -8.883 26.596 31 HA LEU 4 HA LEU 4 22.586 -8.428 26.184 32 HB2 LEU 4 1HB LEU 4 20.749 -10.720 25.597 33 HB3 LEU 4 2HB LEU 4 22.411 -10.754 25.010 34 HG LEU 4 HG LEU 4 22.981 -10.055 27.492 35 HD11 LEU 4 1HD1 LEU 4 20.341 -11.510 27.824 36 HD12 LEU 4 2HD1 LEU 4 20.592 -9.793 28.144 37 HD13 LEU 4 3HD1 LEU 4 21.421 -11.002 29.121 38 HD21 LEU 4 1HD2 LEU 4 23.228 -12.430 28.060 39 HD22 LEU 4 2HD2 LEU 4 23.649 -12.171 26.368 40 HD23 LEU 4 3HD2 LEU 4 22.086 -12.869 26.790 41 H GLU 5 H GLU 5 19.931 -8.119 23.979 42 HA GLU 5 HA GLU 5 21.356 -8.599 21.559 43 HB2 GLU 5 1HB GLU 5 18.784 -7.104 22.085 44 HB3 GLU 5 2HB GLU 5 19.383 -7.540 20.484 45 HG2 GLU 5 1HG GLU 5 18.784 -9.499 22.718 46 HG3 GLU 5 2HG GLU 5 17.739 -9.190 21.337 47 H GLY 6 H GLY 6 21.178 -5.804 23.625 48 HA2 GLY 6 1HA GLY 6 22.225 -3.757 23.474 49 HA3 GLY 6 2HA GLY 6 23.137 -4.403 22.116 50 H GLU 7 H GLU 7 19.629 -4.335 22.063 51 HA GLU 7 HA GLU 7 19.457 -3.068 19.583 52 HB2 GLU 7 1HB GLU 7 17.412 -3.239 21.802 53 HB3 GLU 7 2HB GLU 7 17.059 -2.733 20.150 54 HG2 GLU 7 1HG GLU 7 17.941 -4.907 19.324 55 HG3 GLU 7 2HG GLU 7 18.198 -5.413 20.989 56 H ILE 8 H ILE 8 19.845 -1.633 22.747 57 HA ILE 8 HA ILE 8 18.700 0.874 22.358 58 HB ILE 8 HB ILE 8 21.207 0.151 23.902 59 HG12 ILE 8 1HG1 ILE 8 18.353 0.436 24.877 60 HG13 ILE 8 2HG1 ILE 8 19.085 -1.114 24.458 61 HG21 ILE 8 1HG2 ILE 8 19.339 2.522 24.200 62 HG22 ILE 8 2HG2 ILE 8 20.978 2.591 23.553 63 HG23 ILE 8 3HG2 ILE 8 20.714 2.154 25.241 64 HD11 ILE 8 1HD1 ILE 8 19.929 0.798 26.645 65 HD12 ILE 8 2HD1 ILE 8 20.950 -0.531 26.098 66 HD13 ILE 8 3HD1 ILE 8 19.376 -0.867 26.819 67 HA PRO 9 HA PRO 9 21.159 2.628 19.085 68 HB2 PRO 9 1HB PRO 9 21.118 5.217 20.555 69 HB3 PRO 9 2HB PRO 9 20.605 4.849 18.897 70 HG2 PRO 9 1HG PRO 9 18.831 5.286 20.820 71 HG3 PRO 9 2HG PRO 9 18.549 4.072 19.559 72 HD2 PRO 9 1HD PRO 9 19.345 3.667 22.411 73 HD3 PRO 9 2HD PRO 9 18.284 2.677 21.383 74 H PHE 10 H PHE 10 23.290 2.921 18.621 75 HA PHE 10 HA PHE 10 25.113 3.857 20.717 76 HB2 PHE 10 1HB PHE 10 25.236 1.200 19.325 77 HB3 PHE 10 2HB PHE 10 26.706 1.981 19.877 78 HD1 PHE 10 HD1 PHE 10 26.512 2.905 22.416 79 HD2 PHE 10 HD2 PHE 10 24.245 -0.333 20.738 80 HE1 PHE 10 HE1 PHE 10 26.119 2.002 24.692 81 HE2 PHE 10 HE2 PHE 10 23.852 -1.238 23.014 82 HZ PHE 10 HZ PHE 10 24.790 -0.069 24.991 83 HA PRO 11 HA PRO 11 25.556 5.575 16.360 84 HB2 PRO 11 1HB PRO 11 26.082 8.190 17.278 85 HB3 PRO 11 2HB PRO 11 24.569 7.570 16.605 86 HG2 PRO 11 1HG PRO 11 25.319 8.056 19.401 87 HG3 PRO 11 2HG PRO 11 23.728 8.055 18.631 88 HD2 PRO 11 1HD PRO 11 24.615 6.036 20.262 89 HD3 PRO 11 2HD PRO 11 23.395 5.815 18.991 90 HA PRO 12 HA PRO 12 30.095 6.845 17.713 91 HB2 PRO 12 1HB PRO 12 30.345 4.867 19.931 92 HB3 PRO 12 2HB PRO 12 31.096 6.463 19.751 93 HG2 PRO 12 1HG PRO 12 29.072 6.049 21.429 94 HG3 PRO 12 2HG PRO 12 29.260 7.572 20.541 95 HD2 PRO 12 1HD PRO 12 27.315 5.360 20.081 96 HD3 PRO 12 2HD PRO 12 27.142 7.102 19.782 97 H THR 13 H THR 13 28.621 3.638 18.202 98 HA THR 13 HA THR 13 30.603 2.096 16.938 99 HB THR 13 HB THR 13 27.613 1.645 16.822 100 HG1 THR 13 HG1 THR 13 28.128 0.346 18.708 101 HG21 THR 13 1HG2 THR 13 29.962 -0.266 16.693 102 HG22 THR 13 2HG2 THR 13 28.981 0.233 15.314 103 HG23 THR 13 3HG2 THR 13 28.258 -0.712 16.615 104 H SER 14 H SER 14 28.004 4.087 15.594 105 HA SER 14 HA SER 14 28.111 3.100 12.956 106 HB2 SER 14 1HB SER 14 26.298 4.548 13.898 107 HB3 SER 14 2HB SER 14 27.407 5.913 13.807 108 HG SER 14 HG SER 14 26.371 5.952 11.895 109 H ILE 15 H ILE 15 29.762 5.934 14.422 110 HA ILE 15 HA ILE 15 31.074 6.683 12.036 111 HB ILE 15 HB ILE 15 32.674 7.909 13.481 112 HG12 ILE 15 1HG1 ILE 15 31.044 6.858 15.797 113 HG13 ILE 15 2HG1 ILE 15 32.592 6.146 15.335 114 HG21 ILE 15 1HG2 ILE 15 31.003 9.431 14.407 115 HG22 ILE 15 2HG2 ILE 15 29.773 8.171 14.320 116 HG23 ILE 15 3HG2 ILE 15 30.456 8.840 12.838 117 HD11 ILE 15 1HD1 ILE 15 32.050 8.961 16.292 118 HD12 ILE 15 2HD1 ILE 15 33.555 8.513 15.490 119 HD13 ILE 15 3HD1 ILE 15 33.110 7.753 17.018 120 H LEU 16 H LEU 16 31.949 4.296 14.510 121 HA LEU 16 HA LEU 16 34.515 3.674 13.513 122 HB2 LEU 16 1HB LEU 16 32.471 1.822 14.763 123 HB3 LEU 16 2HB LEU 16 34.181 1.455 14.543 124 HG LEU 16 HG LEU 16 33.153 3.823 16.128 125 HD11 LEU 16 1HD1 LEU 16 33.422 2.574 18.097 126 HD12 LEU 16 2HD1 LEU 16 34.427 1.362 17.303 127 HD13 LEU 16 3HD1 LEU 16 32.689 1.403 17.001 128 HD21 LEU 16 1HD2 LEU 16 35.555 3.683 17.007 129 HD22 LEU 16 2HD2 LEU 16 35.373 4.249 15.347 130 HD23 LEU 16 3HD2 LEU 16 35.876 2.588 15.662 131 H LEU 17 H LEU 17 31.290 2.624 12.456 132 HA LEU 17 HA LEU 17 32.118 0.759 10.524 133 HB2 LEU 17 1HB LEU 17 29.737 1.205 11.252 134 HB3 LEU 17 2HB LEU 17 29.762 2.620 10.198 135 HG LEU 17 HG LEU 17 30.493 1.066 8.322 136 HD11 LEU 17 1HD1 LEU 17 29.877 -0.912 10.509 137 HD12 LEU 17 2HD1 LEU 17 31.260 -0.871 9.418 138 HD13 LEU 17 3HD1 LEU 17 29.676 -1.356 8.814 139 HD21 LEU 17 1HD2 LEU 17 28.216 1.862 8.377 140 HD22 LEU 17 2HD2 LEU 17 27.797 0.734 9.666 141 HD23 LEU 17 3HD2 LEU 17 28.151 0.130 8.047 142 H LEU 18 H LEU 18 31.934 4.293 10.376 143 HA LEU 18 HA LEU 18 32.495 4.596 7.631 144 HB2 LEU 18 1HB LEU 18 31.867 6.451 9.204 145 HB3 LEU 18 2HB LEU 18 33.514 6.396 9.836 146 HG LEU 18 HG LEU 18 34.316 6.693 7.440 147 HD11 LEU 18 1HD1 LEU 18 31.346 7.064 7.115 148 HD12 LEU 18 2HD1 LEU 18 32.466 6.158 6.099 149 HD13 LEU 18 3HD1 LEU 18 32.467 7.921 6.057 150 HD21 LEU 18 1HD2 LEU 18 33.884 9.136 7.467 151 HD22 LEU 18 2HD2 LEU 18 34.321 8.539 9.068 152 HD23 LEU 18 3HD2 LEU 18 32.636 8.891 8.690 153 H LEU 19 H LEU 19 34.658 4.043 10.391 154 HA LEU 19 HA LEU 19 37.104 4.130 8.990 155 HB2 LEU 19 1HB LEU 19 36.704 3.838 11.504 156 HB3 LEU 19 2HB LEU 19 36.500 2.122 11.159 157 HG LEU 19 HG LEU 19 38.917 3.504 10.049 158 HD11 LEU 19 1HD1 LEU 19 39.155 4.295 12.252 159 HD12 LEU 19 2HD1 LEU 19 40.054 2.778 12.273 160 HD13 LEU 19 3HD1 LEU 19 38.426 2.848 12.948 161 HD21 LEU 19 1HD2 LEU 19 39.796 1.142 10.900 162 HD22 LEU 19 2HD2 LEU 19 38.884 1.272 9.400 163 HD23 LEU 19 3HD2 LEU 19 38.078 0.745 10.876 164 H ALA 20 H ALA 20 34.672 1.574 9.240 165 HA ALA 20 HA ALA 20 36.054 -0.444 7.845 166 HB1 ALA 20 1HB ALA 20 33.118 -0.078 7.415 167 HB2 ALA 20 2HB ALA 20 33.701 -0.430 9.043 168 HB3 ALA 20 3HB ALA 20 34.032 -1.554 7.725 169 H CYS 21 H CYS 21 34.167 2.316 6.667 170 HA CYS 21 HA CYS 21 34.179 1.649 3.931 171 HB2 CYS 21 1HB CYS 21 34.379 4.437 5.094 172 HB3 CYS 21 2HB CYS 21 33.791 3.999 3.491 173 HG CYS 21 HG CYS 21 31.849 4.298 5.429 174 H ILE 22 H ILE 22 36.611 3.285 5.938 175 HA ILE 22 HA ILE 22 38.428 3.919 3.874 176 HB ILE 22 HB ILE 22 39.074 3.100 6.722 177 HG12 ILE 22 1HG1 ILE 22 38.643 5.866 5.550 178 HG13 ILE 22 2HG1 ILE 22 37.428 4.992 6.482 179 HG21 ILE 22 1HG2 ILE 22 41.024 3.121 5.179 180 HG22 ILE 22 2HG2 ILE 22 41.120 4.410 6.378 181 HG23 ILE 22 3HG2 ILE 22 40.627 4.779 4.725 182 HD11 ILE 22 1HD1 ILE 22 40.167 5.863 7.441 183 HD12 ILE 22 2HD1 ILE 22 39.079 4.828 8.367 184 HD13 ILE 22 3HD1 ILE 22 38.609 6.486 7.985 185 H PHE 23 H PHE 23 37.923 0.895 5.689 186 HA PHE 23 HA PHE 23 40.039 -0.565 4.553 187 HB2 PHE 23 1HB PHE 23 38.518 -1.348 6.400 188 HB3 PHE 23 2HB PHE 23 37.318 -1.701 5.172 189 HD1 PHE 23 HD1 PHE 23 40.646 -2.614 6.495 190 HD2 PHE 23 HD2 PHE 23 37.511 -3.624 3.739 191 HE1 PHE 23 HE1 PHE 23 41.689 -4.833 6.122 192 HE2 PHE 23 HE2 PHE 23 38.554 -5.843 3.364 193 HZ PHE 23 HZ PHE 23 40.643 -6.447 4.557 194 H LEU 24 H LEU 24 36.808 0.145 3.245 195 HA LEU 24 HA LEU 24 36.963 -1.447 0.951 196 HB2 LEU 24 1HB LEU 24 34.952 -0.129 1.694 197 HB3 LEU 24 2HB LEU 24 35.732 1.310 1.035 198 HG LEU 24 HG LEU 24 35.960 0.021 -1.156 199 HD11 LEU 24 1HD1 LEU 24 35.595 -2.226 -0.579 200 HD12 LEU 24 2HD1 LEU 24 34.056 -1.758 -1.301 201 HD13 LEU 24 3HD1 LEU 24 34.219 -1.836 0.453 202 HD21 LEU 24 1HD2 LEU 24 33.100 0.447 -0.263 203 HD22 LEU 24 2HD2 LEU 24 33.776 0.675 -1.876 204 HD23 LEU 24 3HD2 LEU 24 34.202 1.788 -0.576 205 H ILE 25 H ILE 25 38.329 1.793 1.538 206 HA ILE 25 HA ILE 25 39.402 2.197 -1.026 207 HB ILE 25 HB ILE 25 40.692 2.983 1.601 208 HG12 ILE 25 1HG1 ILE 25 38.788 4.547 -0.169 209 HG13 ILE 25 2HG1 ILE 25 38.297 3.723 1.312 210 HG21 ILE 25 1HG2 ILE 25 42.117 3.144 -0.469 211 HG22 ILE 25 2HG2 ILE 25 41.802 4.698 0.302 212 HG23 ILE 25 3HG2 ILE 25 40.912 4.238 -1.148 213 HD11 ILE 25 1HD1 ILE 25 40.150 6.082 1.002 214 HD12 ILE 25 2HD1 ILE 25 40.202 5.070 2.445 215 HD13 ILE 25 3HD1 ILE 25 38.720 5.931 2.025 216 H ALA 26 H ALA 26 40.630 0.232 1.667 217 HA ALA 26 HA ALA 26 43.051 -0.568 0.503 218 HB1 ALA 26 1HB ALA 26 42.027 -1.121 2.840 219 HB2 ALA 26 2HB ALA 26 43.093 -2.295 2.069 220 HB3 ALA 26 3HB ALA 26 41.345 -2.523 2.013 221 H ILE 27 H ILE 27 39.763 -1.842 0.040 222 HA ILE 27 HA ILE 27 40.432 -3.995 -1.643 223 HB ILE 27 HB ILE 27 37.950 -2.280 -1.841 224 HG12 ILE 27 1HG1 ILE 27 38.260 -3.031 0.476 225 HG13 ILE 27 2HG1 ILE 27 36.934 -3.907 -0.277 226 HG21 ILE 27 1HG2 ILE 27 38.569 -5.135 -2.634 227 HG22 ILE 27 2HG2 ILE 27 38.185 -3.793 -3.713 228 HG23 ILE 27 3HG2 ILE 27 36.950 -4.436 -2.630 229 HD11 ILE 27 1HD1 ILE 27 38.337 -5.451 1.000 230 HD12 ILE 27 2HD1 ILE 27 39.763 -4.936 0.104 231 HD13 ILE 27 3HD1 ILE 27 38.474 -5.815 -0.719 232 H LEU 28 H LEU 28 40.006 -0.548 -2.359 233 HA LEU 28 HA LEU 28 40.215 -0.709 -5.167 234 HB2 LEU 28 1HB LEU 28 39.680 1.374 -3.876 235 HB3 LEU 28 2HB LEU 28 41.386 1.480 -3.441 236 HG LEU 28 HG LEU 28 41.896 1.375 -5.937 237 HD11 LEU 28 1HD1 LEU 28 39.924 0.592 -6.938 238 HD12 LEU 28 2HD1 LEU 28 39.850 2.324 -7.259 239 HD13 LEU 28 3HD1 LEU 28 38.896 1.629 -5.949 240 HD21 LEU 28 1HD2 LEU 28 41.547 3.754 -6.214 241 HD22 LEU 28 2HD2 LEU 28 41.905 3.459 -4.511 242 HD23 LEU 28 3HD2 LEU 28 40.243 3.748 -5.025 243 H ALA 29 H ALA 29 42.711 -0.738 -2.654 244 HA ALA 29 HA ALA 29 44.973 -0.759 -4.331 245 HB1 ALA 29 1HB ALA 29 44.807 -0.709 -1.733 246 HB2 ALA 29 2HB ALA 29 46.179 -1.525 -2.482 247 HB3 ALA 29 3HB ALA 29 44.821 -2.467 -1.865 248 H ALA 30 H ALA 30 42.812 -3.376 -3.319 249 HA ALA 30 HA ALA 30 44.191 -5.523 -4.503 250 HB1 ALA 30 1HB ALA 30 42.229 -6.765 -4.235 251 HB2 ALA 30 2HB ALA 30 41.191 -5.368 -4.518 252 HB3 ALA 30 3HB ALA 30 42.071 -5.519 -2.997 253 H SER 31 H SER 31 41.872 -3.218 -5.890 254 HA SER 31 HA SER 31 41.655 -4.353 -8.444 255 HB2 SER 31 1HB SER 31 41.696 -1.399 -7.788 256 HB3 SER 31 2HB SER 31 40.993 -2.149 -9.216 257 HG SER 31 HG SER 31 39.691 -3.380 -7.639 258 H ALA 32 H ALA 32 44.138 -2.178 -7.115 259 HA ALA 32 HA ALA 32 45.620 -1.815 -9.477 260 HB1 ALA 32 1HB ALA 32 45.998 -0.625 -7.290 261 HB2 ALA 32 2HB ALA 32 47.471 -1.221 -8.058 262 HB3 ALA 32 3HB ALA 32 46.773 -2.093 -6.694 263 H LEU 33 H LEU 33 45.689 -4.419 -7.063 264 HA LEU 33 HA LEU 33 47.849 -5.873 -8.135 265 HB2 LEU 33 1HB LEU 33 46.759 -6.342 -5.940 266 HB3 LEU 33 2HB LEU 33 45.384 -7.022 -6.810 267 HG LEU 33 HG LEU 33 47.032 -8.585 -7.958 268 HD11 LEU 33 1HD1 LEU 33 49.121 -7.498 -7.586 269 HD12 LEU 33 2HD1 LEU 33 49.150 -8.924 -6.547 270 HD13 LEU 33 3HD1 LEU 33 48.813 -7.335 -5.857 271 HD21 LEU 33 1HD2 LEU 33 45.566 -9.282 -6.078 272 HD22 LEU 33 2HD2 LEU 33 46.808 -8.769 -4.936 273 HD23 LEU 33 3HD2 LEU 33 47.122 -10.113 -6.034 274 H TRP 34 H TRP 34 44.414 -5.818 -9.041 275 HA TRP 34 HA TRP 34 44.476 -7.912 -10.924 276 HB2 TRP 34 1HB TRP 34 42.428 -6.699 -10.150 277 HB3 TRP 34 2HB TRP 34 42.898 -5.356 -11.172 278 HD1 TRP 34 HD1 TRP 34 41.527 -8.898 -11.299 279 HE1 TRP 34 HE1 TRP 34 40.593 -9.346 -13.658 280 HE3 TRP 34 HE3 TRP 34 43.133 -4.686 -13.695 281 HZ2 TRP 34 HZ2 TRP 34 40.536 -8.081 -16.229 282 HZ3 TRP 34 HZ3 TRP 34 42.629 -4.332 -16.092 283 HH2 TRP 34 HH2 TRP 34 41.334 -6.021 -17.363 284 H ALA 35 H ALA 35 45.515 -4.547 -11.190 285 HA ALA 35 HA ALA 35 46.054 -4.507 -13.954 286 HB1 ALA 35 1HB ALA 35 46.224 -2.619 -12.138 287 HB2 ALA 35 2HB ALA 35 47.273 -2.568 -13.555 288 HB3 ALA 35 3HB ALA 35 47.900 -3.156 -12.015 289 H ALA 36 H ALA 36 48.034 -5.589 -11.223 290 HA ALA 36 HA ALA 36 50.297 -6.413 -12.684 291 HB1 ALA 36 1HB ALA 36 49.908 -6.289 -10.120 292 HB2 ALA 36 2HB ALA 36 50.960 -7.554 -10.756 293 HB3 ALA 36 3HB ALA 36 49.301 -7.935 -10.295 294 H ALA 37 H ALA 37 47.239 -8.068 -12.042 295 HA ALA 37 HA ALA 37 47.908 -10.613 -12.981 296 HB1 ALA 37 1HB ALA 37 45.637 -11.075 -12.950 297 HB2 ALA 37 2HB ALA 37 45.195 -9.460 -13.504 298 HB3 ALA 37 3HB ALA 37 45.735 -9.705 -11.843 299 H TRP 38 H TRP 38 46.916 -7.739 -14.781 300 HA TRP 38 HA TRP 38 46.489 -8.863 -17.281 301 HB2 TRP 38 1HB TRP 38 46.094 -6.502 -16.726 302 HB3 TRP 38 2HB TRP 38 47.826 -6.229 -16.675 303 HD1 TRP 38 HD1 TRP 38 44.913 -6.670 -19.044 304 HE1 TRP 38 HE1 TRP 38 45.680 -6.129 -21.444 305 HE3 TRP 38 HE3 TRP 38 49.948 -6.280 -18.293 306 HZ2 TRP 38 HZ2 TRP 38 48.112 -5.602 -22.861 307 HZ3 TRP 38 HZ3 TRP 38 51.464 -5.760 -20.180 308 HH2 TRP 38 HH2 TRP 38 50.556 -5.419 -22.460 309 H HIS 39 H HIS 39 49.535 -8.421 -15.624 310 HA HIS 39 HA HIS 39 51.304 -8.388 -17.783 311 HB2 HIS 39 1HB HIS 39 51.941 -7.959 -15.451 312 HB3 HIS 39 2HB HIS 39 51.695 -9.654 -15.074 313 HD1 HIS 39 HD1 HIS 39 53.772 -7.621 -17.558 314 HD2 HIS 39 HD2 HIS 39 54.051 -11.061 -15.221 315 HE1 HIS 39 HE1 HIS 39 56.110 -8.528 -17.898 316 H GLY 40 H GLY 40 49.443 -11.065 -16.516 317 HA2 GLY 40 1HA GLY 40 51.105 -13.212 -17.189 318 HA3 GLY 40 2HA GLY 40 49.350 -13.289 -17.101 319 H GLN 41 H GLN 41 51.555 -14.291 -19.024 320 HA GLN 41 HA GLN 41 51.151 -13.213 -21.573 321 HB2 GLN 41 1HB GLN 41 51.741 -16.058 -20.740 322 HB3 GLN 41 2HB GLN 41 51.855 -15.456 -22.395 323 HG2 GLN 41 1HG GLN 41 53.535 -13.815 -21.720 324 HG3 GLN 41 2HG GLN 41 53.384 -14.318 -20.038 325 HE21 GLN 41 1HE2 GLN 41 55.887 -14.453 -21.434 326 HE22 GLN 41 2HE2 GLN 41 56.308 -16.088 -21.608 327 H LYS 42 H LYS 42 49.026 -15.207 -19.657 328 HA LYS 42 HA LYS 42 47.646 -16.580 -21.630 329 HB2 LYS 42 1HB LYS 42 45.788 -16.714 -19.989 330 HB3 LYS 42 2HB LYS 42 47.356 -17.084 -19.271 331 HG2 LYS 42 1HG LYS 42 47.512 -14.758 -18.435 332 HG3 LYS 42 2HG LYS 42 45.925 -14.413 -19.123 333 HD2 LYS 42 1HD LYS 42 45.007 -16.305 -17.718 334 HD3 LYS 42 2HD LYS 42 46.576 -16.378 -16.913 335 HE2 LYS 42 1HE LYS 42 46.345 -14.195 -16.017 336 HE3 LYS 42 2HE LYS 42 45.020 -13.798 -17.112 337 HZ1 LYS 42 1HZ LYS 42 44.550 -14.485 -14.658 338 HZ2 LYS 42 2HZ LYS 42 44.705 -16.061 -15.273 339 HZ3 LYS 42 3HZ LYS 42 43.529 -15.011 -15.906 340 HA PRO 43 HA PRO 43 45.344 -13.427 -23.819 341 HB2 PRO 43 1HB PRO 43 43.005 -15.265 -23.792 342 HB3 PRO 43 2HB PRO 43 43.828 -14.502 -25.166 343 HG2 PRO 43 1HG PRO 43 44.114 -17.091 -24.642 344 HG3 PRO 43 2HG PRO 43 45.457 -16.112 -25.262 345 HD2 PRO 43 1HD PRO 43 44.987 -17.103 -22.476 346 HD3 PRO 43 2HD PRO 43 46.515 -16.913 -23.366 347 H GLY 44 H GLY 44 43.869 -11.790 -23.350 348 HA2 GLY 44 1HA GLY 44 43.165 -11.295 -20.698 349 HA3 GLY 44 2HA GLY 44 42.444 -10.491 -22.090 350 H THR 45 H THR 45 41.241 -11.455 -19.537 351 HA THR 45 HA THR 45 39.774 -13.811 -19.842 352 HB THR 45 HB THR 45 38.880 -11.312 -18.388 353 HG1 THR 45 HG1 THR 45 40.699 -11.715 -17.388 354 HG21 THR 45 1HG2 THR 45 37.658 -12.898 -16.977 355 HG22 THR 45 2HG2 THR 45 38.276 -14.247 -17.930 356 HG23 THR 45 3HG2 THR 45 37.166 -13.087 -18.659 357 H HIS 46 H HIS 46 37.754 -14.292 -20.639 358 HA HIS 46 HA HIS 46 36.760 -12.475 -22.704 359 HB2 HIS 46 1HB HIS 46 37.131 -14.831 -23.272 360 HB3 HIS 46 2HB HIS 46 36.008 -15.318 -22.017 361 HD1 HIS 46 HD1 HIS 46 33.505 -15.173 -22.544 362 HD2 HIS 46 HD2 HIS 46 35.907 -13.667 -25.600 363 HE1 HIS 46 HE1 HIS 46 31.988 -14.826 -24.539 Start of MODEL 13 1 H ARG 1 3H ARG 1 26.390 -2.560 32.210 2 HA ARG 1 HA ARG 1 26.572 -1.667 30.183 3 HB2 ARG 1 1HB ARG 1 23.665 -2.538 30.158 4 HB3 ARG 1 2HB ARG 1 24.649 -2.254 28.720 5 HG2 ARG 1 1HG ARG 1 26.252 -3.988 29.513 6 HG3 ARG 1 2HG ARG 1 25.184 -4.317 30.877 7 HD2 ARG 1 1HD ARG 1 23.347 -4.800 29.217 8 HD3 ARG 1 2HD ARG 1 24.550 -4.674 27.937 9 HE ARG 1 HE ARG 1 25.237 -6.797 28.492 10 HH11 ARG 1 1HH1 ARG 1 23.652 -5.438 31.315 11 HH12 ARG 1 2HH1 ARG 1 23.805 -6.902 32.228 12 HH21 ARG 1 1HH2 ARG 1 25.404 -8.653 29.717 13 HH22 ARG 1 2HH2 ARG 1 24.785 -8.699 31.333 14 H SER 2 H SER 2 26.838 0.532 30.995 15 HA SER 2 HA SER 2 24.788 2.400 31.323 16 HB2 SER 2 1HB SER 2 27.162 2.761 31.954 17 HB3 SER 2 2HB SER 2 27.565 2.917 30.248 18 HG SER 2 HG SER 2 25.951 4.632 30.211 19 H LEU 3 H LEU 3 26.105 1.078 28.368 20 HA LEU 3 HA LEU 3 25.507 3.135 26.568 21 HB2 LEU 3 1HB LEU 3 25.632 0.144 26.251 22 HB3 LEU 3 2HB LEU 3 25.290 1.217 24.893 23 HG LEU 3 HG LEU 3 27.418 2.506 25.739 24 HD11 LEU 3 1HD1 LEU 3 27.591 -0.178 27.087 25 HD12 LEU 3 2HD1 LEU 3 27.986 1.416 27.733 26 HD13 LEU 3 3HD1 LEU 3 29.062 0.645 26.568 27 HD21 LEU 3 1HD2 LEU 3 27.006 1.017 23.622 28 HD22 LEU 3 2HD2 LEU 3 27.976 -0.174 24.488 29 HD23 LEU 3 3HD2 LEU 3 28.663 1.401 24.087 30 H LEU 4 H LEU 4 23.338 0.933 28.184 31 HA LEU 4 HA LEU 4 21.187 0.894 26.387 32 HB2 LEU 4 1HB LEU 4 21.402 -0.523 28.421 33 HB3 LEU 4 2HB LEU 4 21.042 0.894 29.407 34 HG LEU 4 HG LEU 4 18.888 1.143 28.109 35 HD11 LEU 4 1HD1 LEU 4 18.197 -1.131 27.038 36 HD12 LEU 4 2HD1 LEU 4 19.931 -1.436 26.951 37 HD13 LEU 4 3HD1 LEU 4 19.236 -0.050 26.110 38 HD21 LEU 4 1HD2 LEU 4 18.860 0.126 30.318 39 HD22 LEU 4 2HD2 LEU 4 19.382 -1.422 29.652 40 HD23 LEU 4 3HD2 LEU 4 17.781 -0.792 29.268 41 H GLU 5 H GLU 5 22.300 3.435 28.485 42 HA GLU 5 HA GLU 5 19.846 4.860 28.721 43 HB2 GLU 5 1HB GLU 5 22.706 5.767 29.067 44 HB3 GLU 5 2HB GLU 5 21.289 6.717 29.517 45 HG2 GLU 5 1HG GLU 5 20.557 4.867 31.010 46 HG3 GLU 5 2HG GLU 5 22.026 3.988 30.609 47 H GLY 6 H GLY 6 22.140 4.675 26.127 48 HA2 GLY 6 1HA GLY 6 22.189 5.738 24.077 49 HA3 GLY 6 2HA GLY 6 20.643 6.469 24.483 50 H GLU 7 H GLU 7 23.435 6.867 26.557 51 HA GLU 7 HA GLU 7 23.199 9.626 26.766 52 HB2 GLU 7 1HB GLU 7 25.522 9.559 27.697 53 HB3 GLU 7 2HB GLU 7 24.423 8.393 28.421 54 HG2 GLU 7 1HG GLU 7 25.322 6.630 26.925 55 HG3 GLU 7 2HG GLU 7 26.456 7.784 26.248 56 H ILE 8 H ILE 8 24.269 11.367 25.906 57 HA ILE 8 HA ILE 8 24.559 11.325 23.147 58 HB ILE 8 HB ILE 8 25.258 13.641 23.294 59 HG12 ILE 8 1HG1 ILE 8 25.313 13.223 26.296 60 HG13 ILE 8 2HG1 ILE 8 26.758 13.353 25.291 61 HG21 ILE 8 1HG2 ILE 8 23.137 12.984 25.356 62 HG22 ILE 8 2HG2 ILE 8 22.872 12.937 23.613 63 HG23 ILE 8 3HG2 ILE 8 23.269 14.463 24.404 64 HD11 ILE 8 1HD1 ILE 8 24.646 15.458 25.786 65 HD12 ILE 8 2HD1 ILE 8 25.800 15.576 24.456 66 HD13 ILE 8 3HD1 ILE 8 26.374 15.551 26.124 67 HA PRO 9 HA PRO 9 29.422 11.451 23.668 68 HB2 PRO 9 1HB PRO 9 29.599 8.969 25.307 69 HB3 PRO 9 2HB PRO 9 30.666 10.389 25.277 70 HG2 PRO 9 1HG PRO 9 28.980 10.023 27.272 71 HG3 PRO 9 2HG PRO 9 29.256 11.645 26.602 72 HD2 PRO 9 1HD PRO 9 26.934 9.809 26.175 73 HD3 PRO 9 2HD PRO 9 26.946 11.568 26.377 74 H PHE 10 H PHE 10 27.101 8.932 23.230 75 HA PHE 10 HA PHE 10 28.636 6.822 22.307 76 HB2 PHE 10 1HB PHE 10 26.232 6.848 22.975 77 HB3 PHE 10 2HB PHE 10 25.864 7.458 21.374 78 HD1 PHE 10 HD1 PHE 10 27.600 4.636 23.117 79 HD2 PHE 10 HD2 PHE 10 25.486 5.955 19.618 80 HE1 PHE 10 HE1 PHE 10 27.575 2.310 22.255 81 HE2 PHE 10 HE2 PHE 10 25.462 3.630 18.755 82 HZ PHE 10 HZ PHE 10 26.507 1.808 20.074 83 HA PRO 11 HA PRO 11 27.532 8.319 17.748 84 HB2 PRO 11 1HB PRO 11 29.058 10.873 17.825 85 HB3 PRO 11 2HB PRO 11 27.591 10.446 16.919 86 HG2 PRO 11 1HG PRO 11 27.439 11.952 19.078 87 HG3 PRO 11 2HG PRO 11 26.221 10.702 18.756 88 HD2 PRO 11 1HD PRO 11 28.490 10.653 20.708 89 HD3 PRO 11 2HD PRO 11 26.846 9.999 20.873 90 HA PRO 12 HA PRO 12 32.347 8.619 16.848 91 HB2 PRO 12 1HB PRO 12 33.251 7.168 19.296 92 HB3 PRO 12 2HB PRO 12 34.073 8.439 18.366 93 HG2 PRO 12 1HG PRO 12 32.961 9.001 20.687 94 HG3 PRO 12 2HG PRO 12 32.828 10.132 19.326 95 HD2 PRO 12 1HD PRO 12 30.775 8.229 20.392 96 HD3 PRO 12 2HD PRO 12 30.556 9.893 19.801 97 H THR 13 H THR 13 30.629 6.044 18.585 98 HA THR 13 HA THR 13 31.859 3.825 17.371 99 HB THR 13 HB THR 13 28.928 4.103 18.079 100 HG1 THR 13 HG1 THR 13 29.845 3.030 20.044 101 HG21 THR 13 1HG2 THR 13 30.791 1.734 17.774 102 HG22 THR 13 2HG2 THR 13 29.374 2.103 16.791 103 HG23 THR 13 3HG2 THR 13 29.179 1.635 18.480 104 H SER 14 H SER 14 29.224 5.931 16.212 105 HA SER 14 HA SER 14 28.725 4.601 13.786 106 HB2 SER 14 1HB SER 14 27.369 6.496 14.709 107 HB3 SER 14 2HB SER 14 28.671 7.590 14.254 108 HG SER 14 HG SER 14 27.197 7.522 12.580 109 H ILE 15 H ILE 15 31.174 7.030 14.656 110 HA ILE 15 HA ILE 15 32.263 7.360 12.077 111 HB ILE 15 HB ILE 15 33.776 7.463 14.699 112 HG12 ILE 15 1HG1 ILE 15 32.400 9.690 13.167 113 HG13 ILE 15 2HG1 ILE 15 31.719 8.915 14.597 114 HG21 ILE 15 1HG2 ILE 15 35.328 8.881 13.500 115 HG22 ILE 15 2HG2 ILE 15 34.311 8.851 12.060 116 HG23 ILE 15 3HG2 ILE 15 35.139 7.384 12.585 117 HD11 ILE 15 1HD1 ILE 15 34.158 10.664 14.385 118 HD12 ILE 15 2HD1 ILE 15 34.006 9.509 15.709 119 HD13 ILE 15 3HD1 ILE 15 32.804 10.784 15.508 120 H LEU 16 H LEU 16 32.786 4.824 14.497 121 HA LEU 16 HA LEU 16 34.953 3.538 13.231 122 HB2 LEU 16 1HB LEU 16 32.703 2.206 14.754 123 HB3 LEU 16 2HB LEU 16 34.297 1.532 14.433 124 HG LEU 16 HG LEU 16 33.790 4.062 16.023 125 HD11 LEU 16 1HD1 LEU 16 34.705 1.351 17.017 126 HD12 LEU 16 2HD1 LEU 16 33.026 1.886 17.088 127 HD13 LEU 16 3HD1 LEU 16 34.269 2.757 17.988 128 HD21 LEU 16 1HD2 LEU 16 36.257 2.502 15.251 129 HD22 LEU 16 2HD2 LEU 16 36.239 3.520 16.691 130 HD23 LEU 16 3HD2 LEU 16 35.963 4.235 15.104 131 H LEU 17 H LEU 17 31.455 3.343 12.628 132 HA LEU 17 HA LEU 17 31.539 1.302 10.688 133 HB2 LEU 17 1HB LEU 17 29.721 3.723 10.669 134 HB3 LEU 17 2HB LEU 17 29.449 2.200 9.827 135 HG LEU 17 HG LEU 17 29.712 2.468 12.836 136 HD11 LEU 17 1HD1 LEU 17 27.305 2.237 11.012 137 HD12 LEU 17 2HD1 LEU 17 27.648 3.510 12.183 138 HD13 LEU 17 3HD1 LEU 17 27.237 1.886 12.739 139 HD21 LEU 17 1HD2 LEU 17 28.612 0.119 12.601 140 HD22 LEU 17 2HD2 LEU 17 30.339 0.262 12.269 141 HD23 LEU 17 3HD2 LEU 17 29.188 0.183 10.935 142 H LEU 18 H LEU 18 32.193 4.778 10.401 143 HA LEU 18 HA LEU 18 32.553 4.838 7.601 144 HB2 LEU 18 1HB LEU 18 34.101 6.480 9.617 145 HB3 LEU 18 2HB LEU 18 33.859 6.847 7.916 146 HG LEU 18 HG LEU 18 31.624 6.609 9.950 147 HD11 LEU 18 1HD1 LEU 18 32.878 8.594 10.454 148 HD12 LEU 18 2HD1 LEU 18 31.472 9.113 9.526 149 HD13 LEU 18 3HD1 LEU 18 33.049 8.994 8.745 150 HD21 LEU 18 1HD2 LEU 18 30.676 6.119 7.851 151 HD22 LEU 18 2HD2 LEU 18 31.762 7.218 7.000 152 HD23 LEU 18 3HD2 LEU 18 30.446 7.862 7.982 153 H LEU 19 H LEU 19 34.756 3.857 10.196 154 HA LEU 19 HA LEU 19 37.064 3.482 8.626 155 HB2 LEU 19 1HB LEU 19 36.934 3.278 11.140 156 HB3 LEU 19 2HB LEU 19 36.228 1.679 10.901 157 HG LEU 19 HG LEU 19 38.262 1.171 9.425 158 HD11 LEU 19 1HD1 LEU 19 40.269 2.609 10.315 159 HD12 LEU 19 2HD1 LEU 19 39.020 3.805 10.662 160 HD13 LEU 19 3HD1 LEU 19 39.267 3.242 9.010 161 HD21 LEU 19 1HD2 LEU 19 38.870 1.727 12.339 162 HD22 LEU 19 2HD2 LEU 19 39.543 0.451 11.323 163 HD23 LEU 19 3HD2 LEU 19 37.850 0.387 11.814 164 H ALA 20 H ALA 20 34.214 1.440 9.055 165 HA ALA 20 HA ALA 20 35.124 -0.828 7.652 166 HB1 ALA 20 1HB ALA 20 32.939 -0.533 8.959 167 HB2 ALA 20 2HB ALA 20 32.852 -1.463 7.463 168 HB3 ALA 20 3HB ALA 20 32.297 0.210 7.495 169 H CYS 21 H CYS 21 33.651 2.186 6.495 170 HA CYS 21 HA CYS 21 33.507 1.500 3.764 171 HB2 CYS 21 1HB CYS 21 34.077 4.227 4.950 172 HB3 CYS 21 2HB CYS 21 33.489 3.904 3.320 173 HG CYS 21 HG CYS 21 31.646 4.308 5.491 174 H ILE 22 H ILE 22 36.173 2.835 5.692 175 HA ILE 22 HA ILE 22 38.000 3.183 3.572 176 HB ILE 22 HB ILE 22 38.590 2.465 6.457 177 HG12 ILE 22 1HG1 ILE 22 38.475 5.159 5.064 178 HG13 ILE 22 2HG1 ILE 22 37.190 4.518 6.080 179 HG21 ILE 22 1HG2 ILE 22 40.328 3.815 4.363 180 HG22 ILE 22 2HG2 ILE 22 40.504 2.135 4.872 181 HG23 ILE 22 3HG2 ILE 22 40.790 3.440 6.024 182 HD11 ILE 22 1HD1 ILE 22 38.282 5.065 7.986 183 HD12 ILE 22 2HD1 ILE 22 39.290 6.080 6.960 184 HD13 ILE 22 3HD1 ILE 22 39.830 4.463 7.397 185 H PHE 23 H PHE 23 37.138 0.287 5.448 186 HA PHE 23 HA PHE 23 39.111 -1.426 4.428 187 HB2 PHE 23 1HB PHE 23 37.445 -1.998 6.215 188 HB3 PHE 23 2HB PHE 23 36.243 -2.195 4.956 189 HD1 PHE 23 HD1 PHE 23 39.385 -3.540 6.371 190 HD2 PHE 23 HD2 PHE 23 36.193 -4.152 3.562 191 HE1 PHE 23 HE1 PHE 23 40.114 -5.890 6.054 192 HE2 PHE 23 HE2 PHE 23 36.922 -6.501 3.245 193 HZ PHE 23 HZ PHE 23 38.882 -7.370 4.491 194 H LEU 24 H LEU 24 36.012 -0.422 2.984 195 HA LEU 24 HA LEU 24 36.145 -2.001 0.674 196 HB2 LEU 24 1HB LEU 24 34.211 -0.556 1.332 197 HB3 LEU 24 2HB LEU 24 35.136 0.846 0.796 198 HG LEU 24 HG LEU 24 35.383 -0.314 -1.450 199 HD11 LEU 24 1HD1 LEU 24 34.894 -2.579 -0.972 200 HD12 LEU 24 2HD1 LEU 24 33.462 -2.004 -1.826 201 HD13 LEU 24 3HD1 LEU 24 33.437 -2.162 -0.069 202 HD21 LEU 24 1HD2 LEU 24 33.801 1.502 -1.206 203 HD22 LEU 24 2HD2 LEU 24 32.638 0.443 -0.407 204 HD23 LEU 24 3HD2 LEU 24 33.006 0.218 -2.118 205 H ILE 25 H ILE 25 37.707 1.135 1.358 206 HA ILE 25 HA ILE 25 38.960 1.431 -1.142 207 HB ILE 25 HB ILE 25 40.152 2.210 1.530 208 HG12 ILE 25 1HG1 ILE 25 38.409 3.827 -0.354 209 HG13 ILE 25 2HG1 ILE 25 37.810 3.062 1.118 210 HG21 ILE 25 1HG2 ILE 25 41.705 2.273 -0.407 211 HG22 ILE 25 2HG2 ILE 25 41.345 3.886 0.208 212 HG23 ILE 25 3HG2 ILE 25 40.563 3.308 -1.264 213 HD11 ILE 25 1HD1 ILE 25 38.315 5.247 1.824 214 HD12 ILE 25 2HD1 ILE 25 39.780 5.323 0.846 215 HD13 ILE 25 3HD1 ILE 25 39.743 4.331 2.303 216 H ALA 26 H ALA 26 39.814 -0.632 1.592 217 HA ALA 26 HA ALA 26 42.381 -1.378 0.753 218 HB1 ALA 26 1HB ALA 26 41.143 -1.928 2.950 219 HB2 ALA 26 2HB ALA 26 42.230 -3.149 2.289 220 HB3 ALA 26 3HB ALA 26 40.487 -3.309 2.072 221 H ILE 27 H ILE 27 39.244 -2.982 0.047 222 HA ILE 27 HA ILE 27 40.383 -4.959 -1.611 223 HB ILE 27 HB ILE 27 38.106 -5.154 -0.725 224 HG12 ILE 27 1HG1 ILE 27 38.052 -5.197 -3.744 225 HG13 ILE 27 2HG1 ILE 27 38.978 -6.361 -2.795 226 HG21 ILE 27 1HG2 ILE 27 37.610 -2.812 -2.537 227 HG22 ILE 27 2HG2 ILE 27 37.037 -3.103 -0.897 228 HG23 ILE 27 3HG2 ILE 27 36.325 -3.979 -2.247 229 HD11 ILE 27 1HD1 ILE 27 36.024 -5.863 -2.363 230 HD12 ILE 27 2HD1 ILE 27 36.999 -7.179 -1.709 231 HD13 ILE 27 3HD1 ILE 27 36.641 -7.119 -3.435 232 H LEU 28 H LEU 28 39.447 -1.627 -2.323 233 HA LEU 28 HA LEU 28 39.770 -1.741 -5.121 234 HB2 LEU 28 1HB LEU 28 38.908 0.239 -3.854 235 HB3 LEU 28 2HB LEU 28 40.562 0.571 -3.340 236 HG LEU 28 HG LEU 28 41.203 0.575 -5.801 237 HD11 LEU 28 1HD1 LEU 28 38.197 0.423 -5.990 238 HD12 LEU 28 2HD1 LEU 28 39.402 -0.518 -6.867 239 HD13 LEU 28 3HD1 LEU 28 39.150 1.182 -7.265 240 HD21 LEU 28 1HD2 LEU 28 41.030 2.673 -4.631 241 HD22 LEU 28 2HD2 LEU 28 39.268 2.621 -4.680 242 HD23 LEU 28 3HD2 LEU 28 40.185 2.872 -6.166 243 H ALA 29 H ALA 29 42.164 -1.468 -2.525 244 HA ALA 29 HA ALA 29 44.455 -1.135 -4.121 245 HB1 ALA 29 1HB ALA 29 44.167 -1.176 -1.517 246 HB2 ALA 29 2HB ALA 29 45.690 -1.703 -2.234 247 HB3 ALA 29 3HB ALA 29 44.509 -2.898 -1.695 248 H ALA 30 H ALA 30 42.670 -4.054 -3.208 249 HA ALA 30 HA ALA 30 44.381 -5.955 -4.385 250 HB1 ALA 30 1HB ALA 30 41.403 -6.272 -4.534 251 HB2 ALA 30 2HB ALA 30 42.198 -6.252 -2.960 252 HB3 ALA 30 3HB ALA 30 42.636 -7.474 -4.154 253 H SER 31 H SER 31 41.779 -3.991 -5.802 254 HA SER 31 HA SER 31 41.850 -5.046 -8.398 255 HB2 SER 31 1HB SER 31 40.199 -3.353 -7.514 256 HB3 SER 31 2HB SER 31 41.446 -2.129 -7.722 257 HG SER 31 HG SER 31 39.982 -2.412 -9.538 258 H ALA 32 H ALA 32 43.932 -2.604 -6.869 259 HA ALA 32 HA ALA 32 45.408 -1.875 -9.149 260 HB1 ALA 32 1HB ALA 32 45.491 -0.888 -6.765 261 HB2 ALA 32 2HB ALA 32 47.003 -0.973 -7.670 262 HB3 ALA 32 3HB ALA 32 46.653 -2.169 -6.422 263 H LEU 33 H LEU 33 45.804 -4.590 -6.892 264 HA LEU 33 HA LEU 33 48.167 -5.659 -7.995 265 HB2 LEU 33 1HB LEU 33 47.106 -6.435 -5.874 266 HB3 LEU 33 2HB LEU 33 45.851 -7.222 -6.832 267 HG LEU 33 HG LEU 33 47.704 -8.469 -8.038 268 HD11 LEU 33 1HD1 LEU 33 49.657 -7.236 -7.606 269 HD12 LEU 33 2HD1 LEU 33 49.815 -8.608 -6.510 270 HD13 LEU 33 3HD1 LEU 33 49.271 -7.047 -5.896 271 HD21 LEU 33 1HD2 LEU 33 47.390 -8.854 -5.044 272 HD22 LEU 33 2HD2 LEU 33 48.049 -10.061 -6.148 273 HD23 LEU 33 3HD2 LEU 33 46.367 -9.553 -6.298 274 H TRP 34 H TRP 34 44.771 -6.026 -8.977 275 HA TRP 34 HA TRP 34 45.168 -7.890 -11.050 276 HB2 TRP 34 1HB TRP 34 42.961 -6.959 -10.168 277 HB3 TRP 34 2HB TRP 34 43.241 -5.586 -11.223 278 HD1 TRP 34 HD1 TRP 34 42.396 -9.295 -11.265 279 HE1 TRP 34 HE1 TRP 34 41.527 -9.925 -13.607 280 HE3 TRP 34 HE3 TRP 34 43.350 -4.942 -13.759 281 HZ2 TRP 34 HZ2 TRP 34 41.271 -8.739 -16.202 282 HZ3 TRP 34 HZ3 TRP 34 42.786 -4.719 -16.159 283 HH2 TRP 34 HH2 TRP 34 41.749 -6.608 -17.383 284 H ALA 35 H ALA 35 45.738 -4.412 -10.951 285 HA ALA 35 HA ALA 35 46.250 -3.985 -13.684 286 HB1 ALA 35 1HB ALA 35 47.932 -2.624 -11.618 287 HB2 ALA 35 2HB ALA 35 46.193 -2.327 -11.633 288 HB3 ALA 35 3HB ALA 35 47.163 -1.954 -13.057 289 H ALA 36 H ALA 36 48.377 -5.117 -11.082 290 HA ALA 36 HA ALA 36 50.702 -5.507 -12.627 291 HB1 ALA 36 1HB ALA 36 50.329 -5.762 -10.068 292 HB2 ALA 36 2HB ALA 36 51.503 -6.811 -10.863 293 HB3 ALA 36 3HB ALA 36 49.899 -7.426 -10.461 294 H ALA 37 H ALA 37 47.864 -7.572 -12.172 295 HA ALA 37 HA ALA 37 48.716 -9.832 -13.573 296 HB1 ALA 37 1HB ALA 37 46.497 -9.297 -12.256 297 HB2 ALA 37 2HB ALA 37 46.515 -10.514 -13.533 298 HB3 ALA 37 3HB ALA 37 45.895 -8.896 -13.865 299 H TRP 38 H TRP 38 47.539 -6.754 -14.803 300 HA TRP 38 HA TRP 38 46.997 -7.408 -17.437 301 HB2 TRP 38 1HB TRP 38 46.664 -5.186 -16.370 302 HB3 TRP 38 2HB TRP 38 48.391 -4.906 -16.491 303 HD1 TRP 38 HD1 TRP 38 49.380 -4.307 -18.850 304 HE1 TRP 38 HE1 TRP 38 48.287 -3.589 -21.070 305 HE3 TRP 38 HE3 TRP 38 44.524 -5.549 -17.880 306 HZ2 TRP 38 HZ2 TRP 38 45.688 -3.544 -22.278 307 HZ3 TRP 38 HZ3 TRP 38 42.764 -5.157 -19.576 308 HH2 TRP 38 HH2 TRP 38 43.336 -4.159 -21.771 309 H HIS 39 H HIS 39 50.143 -7.219 -15.890 310 HA HIS 39 HA HIS 39 51.792 -6.891 -18.127 311 HB2 HIS 39 1HB HIS 39 52.587 -6.888 -15.790 312 HB3 HIS 39 2HB HIS 39 52.277 -8.611 -15.691 313 HD1 HIS 39 HD1 HIS 39 54.295 -6.278 -17.950 314 HD2 HIS 39 HD2 HIS 39 54.562 -10.052 -16.199 315 HE1 HIS 39 HE1 HIS 39 56.565 -7.200 -18.583 316 H GLY 40 H GLY 40 52.703 -8.314 -19.604 317 HA2 GLY 40 1HA GLY 40 51.144 -10.438 -20.544 318 HA3 GLY 40 2HA GLY 40 52.832 -10.165 -20.970 319 H GLN 41 H GLN 41 51.240 -12.656 -20.305 320 HA GLN 41 HA GLN 41 52.019 -13.732 -17.842 321 HB2 GLN 41 1HB GLN 41 50.409 -14.660 -19.673 322 HB3 GLN 41 2HB GLN 41 51.860 -15.432 -20.312 323 HG2 GLN 41 1HG GLN 41 50.927 -17.030 -18.823 324 HG3 GLN 41 2HG GLN 41 52.258 -16.298 -17.930 325 HE21 GLN 41 1HE2 GLN 41 51.705 -15.653 -15.851 326 HE22 GLN 41 2HE2 GLN 41 50.139 -15.233 -15.345 327 H LYS 42 H LYS 42 53.772 -15.035 -17.216 328 HA LYS 42 HA LYS 42 56.251 -14.023 -17.954 329 HB2 LYS 42 1HB LYS 42 55.504 -16.544 -16.494 330 HB3 LYS 42 2HB LYS 42 57.166 -15.976 -16.657 331 HG2 LYS 42 1HG LYS 42 56.182 -13.703 -15.783 332 HG3 LYS 42 2HG LYS 42 54.878 -14.721 -15.169 333 HD2 LYS 42 1HD LYS 42 56.806 -16.194 -14.210 334 HD3 LYS 42 2HD LYS 42 57.797 -14.752 -14.436 335 HE2 LYS 42 1HE LYS 42 55.159 -14.682 -12.961 336 HE3 LYS 42 2HE LYS 42 56.691 -14.996 -12.144 337 HZ1 LYS 42 1HZ LYS 42 55.776 -12.577 -12.396 338 HZ2 LYS 42 2HZ LYS 42 56.501 -12.680 -13.929 339 HZ3 LYS 42 3HZ LYS 42 57.437 -12.892 -12.528 340 HA PRO 43 HA PRO 43 57.016 -18.007 -20.724 341 HB2 PRO 43 1HB PRO 43 54.415 -17.821 -22.181 342 HB3 PRO 43 2HB PRO 43 55.416 -19.246 -21.834 343 HG2 PRO 43 1HG PRO 43 53.199 -18.795 -20.470 344 HG3 PRO 43 2HG PRO 43 54.652 -19.427 -19.668 345 HD2 PRO 43 1HD PRO 43 53.523 -16.657 -19.598 346 HD3 PRO 43 2HD PRO 43 54.340 -17.572 -18.311 347 H GLY 44 H GLY 44 58.086 -17.542 -22.618 348 HA2 GLY 44 1HA GLY 44 58.316 -14.909 -23.520 349 HA3 GLY 44 2HA GLY 44 58.863 -16.326 -24.406 350 H THR 45 H THR 45 56.025 -17.384 -24.473 351 HA THR 45 HA THR 45 55.330 -16.504 -27.030 352 HB THR 45 HB THR 45 53.457 -17.669 -24.961 353 HG1 THR 45 HG1 THR 45 54.600 -19.396 -25.166 354 HG21 THR 45 1HG2 THR 45 53.449 -17.496 -27.978 355 HG22 THR 45 2HG2 THR 45 52.208 -16.941 -26.855 356 HG23 THR 45 3HG2 THR 45 52.467 -18.668 -27.099 357 H HIS 46 H HIS 46 54.545 -15.090 -23.920 358 HA HIS 46 HA HIS 46 52.969 -13.015 -25.327 359 HB2 HIS 46 1HB HIS 46 51.705 -14.748 -23.810 360 HB3 HIS 46 2HB HIS 46 52.356 -13.779 -22.501 361 HD1 HIS 46 HD1 HIS 46 49.806 -13.774 -25.213 362 HD2 HIS 46 HD2 HIS 46 51.279 -11.107 -22.368 363 HE1 HIS 46 HE1 HIS 46 48.181 -11.836 -25.141 Start of MODEL 14 1 H ARG 1 3H ARG 1 9.171 20.572 20.953 2 HA ARG 1 HA ARG 1 9.133 19.136 19.160 3 HB2 ARG 1 1HB ARG 1 10.605 19.374 17.224 4 HB3 ARG 1 2HB ARG 1 9.726 20.876 17.498 5 HG2 ARG 1 1HG ARG 1 11.734 21.732 18.760 6 HG3 ARG 1 2HG ARG 1 12.602 20.286 18.245 7 HD2 ARG 1 1HD ARG 1 12.106 20.891 15.871 8 HD3 ARG 1 2HD ARG 1 11.376 22.389 16.441 9 HE ARG 1 HE ARG 1 14.105 21.917 17.331 10 HH11 ARG 1 1HH1 ARG 1 12.068 23.442 14.913 11 HH12 ARG 1 2HH1 ARG 1 13.302 24.561 14.436 12 HH21 ARG 1 1HH2 ARG 1 15.653 23.382 16.674 13 HH22 ARG 1 2HH2 ARG 1 15.305 24.525 15.421 14 H SER 2 H SER 2 10.200 17.175 19.196 15 HA SER 2 HA SER 2 11.902 16.629 21.345 16 HB2 SER 2 1HB SER 2 12.140 14.417 20.390 17 HB3 SER 2 2HB SER 2 10.481 14.963 20.171 18 HG SER 2 HG SER 2 12.218 14.197 18.328 19 H LEU 3 H LEU 3 12.699 17.713 18.118 20 HA LEU 3 HA LEU 3 15.307 16.743 17.861 21 HB2 LEU 3 1HB LEU 3 13.958 19.220 16.814 22 HB3 LEU 3 2HB LEU 3 15.635 18.835 16.423 23 HG LEU 3 HG LEU 3 14.657 16.478 15.801 24 HD11 LEU 3 1HD1 LEU 3 12.247 18.278 15.900 25 HD12 LEU 3 2HD1 LEU 3 12.411 16.614 16.462 26 HD13 LEU 3 3HD1 LEU 3 12.319 16.956 14.735 27 HD21 LEU 3 1HD2 LEU 3 14.205 17.331 13.486 28 HD22 LEU 3 2HD2 LEU 3 15.699 17.965 14.176 29 HD23 LEU 3 3HD2 LEU 3 14.254 18.974 14.124 30 H LEU 4 H LEU 4 14.131 19.210 19.994 31 HA LEU 4 HA LEU 4 16.333 20.943 20.093 32 HB2 LEU 4 1HB LEU 4 14.362 20.230 22.274 33 HB3 LEU 4 2HB LEU 4 15.447 21.621 22.294 34 HG LEU 4 HG LEU 4 13.404 21.108 20.113 35 HD11 LEU 4 1HD1 LEU 4 12.164 22.995 21.212 36 HD12 LEU 4 2HD1 LEU 4 13.290 22.889 22.565 37 HD13 LEU 4 3HD1 LEU 4 12.225 21.533 22.195 38 HD21 LEU 4 1HD2 LEU 4 15.035 22.529 19.208 39 HD22 LEU 4 2HD2 LEU 4 15.365 23.298 20.761 40 HD23 LEU 4 3HD2 LEU 4 13.882 23.678 19.887 41 H GLU 5 H GLU 5 15.966 17.745 21.411 42 HA GLU 5 HA GLU 5 17.789 18.073 23.582 43 HB2 GLU 5 1HB GLU 5 17.650 15.677 23.852 44 HB3 GLU 5 2HB GLU 5 16.046 16.323 23.521 45 HG2 GLU 5 1HG GLU 5 16.390 15.727 21.099 46 HG3 GLU 5 2HG GLU 5 17.884 14.939 21.563 47 H GLY 6 H GLY 6 18.310 17.361 20.181 48 HA2 GLY 6 1HA GLY 6 20.382 18.064 19.236 49 HA3 GLY 6 2HA GLY 6 21.166 17.732 20.769 50 H GLU 7 H GLU 7 19.328 15.070 20.295 51 HA GLU 7 HA GLU 7 21.467 13.342 19.798 52 HB2 GLU 7 1HB GLU 7 18.493 12.914 19.573 53 HB3 GLU 7 2HB GLU 7 19.681 11.619 19.430 54 HG2 GLU 7 1HG GLU 7 20.574 12.217 21.667 55 HG3 GLU 7 2HG GLU 7 19.335 13.453 21.819 56 H ILE 8 H ILE 8 19.761 15.208 17.481 57 HA ILE 8 HA ILE 8 19.168 13.310 15.543 58 HB ILE 8 HB ILE 8 19.857 16.185 14.955 59 HG12 ILE 8 1HG1 ILE 8 17.097 16.085 15.155 60 HG13 ILE 8 2HG1 ILE 8 17.571 14.965 16.424 61 HG21 ILE 8 1HG2 ILE 8 19.604 14.902 12.946 62 HG22 ILE 8 2HG2 ILE 8 18.105 15.805 13.167 63 HG23 ILE 8 3HG2 ILE 8 18.168 14.090 13.571 64 HD11 ILE 8 1HD1 ILE 8 18.448 16.620 17.726 65 HD12 ILE 8 2HD1 ILE 8 17.368 17.639 16.777 66 HD13 ILE 8 3HD1 ILE 8 19.073 17.527 16.349 67 HA PRO 9 HA PRO 9 23.506 14.092 13.405 68 HB2 PRO 9 1HB PRO 9 25.148 13.732 15.873 69 HB3 PRO 9 2HB PRO 9 25.475 14.716 14.431 70 HG2 PRO 9 1HG PRO 9 24.724 15.875 16.670 71 HG3 PRO 9 2HG PRO 9 24.067 16.425 15.113 72 HD2 PRO 9 1HD PRO 9 22.772 14.674 17.179 73 HD3 PRO 9 2HD PRO 9 22.056 16.010 16.243 74 H PHE 10 H PHE 10 24.471 12.205 12.616 75 HA PHE 10 HA PHE 10 23.323 9.771 13.316 76 HB2 PHE 10 1HB PHE 10 25.242 8.751 12.007 77 HB3 PHE 10 2HB PHE 10 24.247 9.920 11.165 78 HD1 PHE 10 HD1 PHE 10 27.377 9.775 13.234 79 HD2 PHE 10 HD2 PHE 10 25.310 11.571 9.926 80 HE1 PHE 10 HE1 PHE 10 29.412 11.076 12.669 81 HE2 PHE 10 HE2 PHE 10 27.344 12.872 9.360 82 HZ PHE 10 HZ PHE 10 29.395 12.624 10.733 83 HA PRO 11 HA PRO 11 25.363 8.582 17.021 84 HB2 PRO 11 1HB PRO 11 25.667 5.804 16.007 85 HB3 PRO 11 2HB PRO 11 24.841 6.396 17.460 86 HG2 PRO 11 1HG PRO 11 23.506 5.537 15.314 87 HG3 PRO 11 2HG PRO 11 22.906 6.851 16.343 88 HD2 PRO 11 1HD PRO 11 24.149 7.009 13.631 89 HD3 PRO 11 2HD PRO 11 22.886 8.023 14.365 90 HA PRO 12 HA PRO 12 29.779 8.648 16.040 91 HB2 PRO 12 1HB PRO 12 30.210 7.285 18.648 92 HB3 PRO 12 2HB PRO 12 30.895 8.804 18.041 93 HG2 PRO 12 1HG PRO 12 29.016 8.774 19.925 94 HG3 PRO 12 2HG PRO 12 29.081 10.042 18.688 95 HD2 PRO 12 1HD PRO 12 27.222 7.706 18.883 96 HD3 PRO 12 2HD PRO 12 26.911 9.351 18.283 97 H THR 13 H THR 13 28.207 5.728 17.327 98 HA THR 13 HA THR 13 30.107 3.827 16.504 99 HB THR 13 HB THR 13 27.096 3.512 16.491 100 HG1 THR 13 HG1 THR 13 27.229 3.353 18.589 101 HG21 THR 13 1HG2 THR 13 29.302 1.475 16.900 102 HG22 THR 13 2HG2 THR 13 28.449 1.716 15.377 103 HG23 THR 13 3HG2 THR 13 27.571 1.154 16.799 104 H SER 14 H SER 14 27.527 5.467 14.677 105 HA SER 14 HA SER 14 27.808 4.041 12.269 106 HB2 SER 14 1HB SER 14 26.011 5.719 12.756 107 HB3 SER 14 2HB SER 14 27.210 6.993 12.558 108 HG SER 14 HG SER 14 26.335 6.746 10.573 109 H ILE 15 H ILE 15 29.605 6.834 13.555 110 HA ILE 15 HA ILE 15 31.228 7.276 11.291 111 HB ILE 15 HB ILE 15 32.022 7.622 14.196 112 HG12 ILE 15 1HG1 ILE 15 30.791 9.622 12.274 113 HG13 ILE 15 2HG1 ILE 15 29.882 8.772 13.524 114 HG21 ILE 15 1HG2 ILE 15 33.018 8.986 11.675 115 HG22 ILE 15 2HG2 ILE 15 33.889 7.723 12.545 116 HG23 ILE 15 3HG2 ILE 15 33.592 9.279 13.318 117 HD11 ILE 15 1HD1 ILE 15 30.482 10.867 14.493 118 HD12 ILE 15 2HD1 ILE 15 32.136 10.752 13.892 119 HD13 ILE 15 3HD1 ILE 15 31.595 9.689 15.191 120 H LEU 16 H LEU 16 31.531 4.929 13.940 121 HA LEU 16 HA LEU 16 34.074 3.925 13.237 122 HB2 LEU 16 1HB LEU 16 31.765 2.350 14.397 123 HB3 LEU 16 2HB LEU 16 33.466 1.901 14.438 124 HG LEU 16 HG LEU 16 32.337 4.423 15.683 125 HD11 LEU 16 1HD1 LEU 16 32.631 3.297 17.821 126 HD12 LEU 16 2HD1 LEU 16 33.289 1.871 17.018 127 HD13 LEU 16 3HD1 LEU 16 31.593 2.303 16.797 128 HD21 LEU 16 1HD2 LEU 16 34.619 4.345 16.834 129 HD22 LEU 16 2HD2 LEU 16 34.644 4.750 15.118 130 HD23 LEU 16 3HD2 LEU 16 35.072 3.123 15.645 131 H LEU 17 H LEU 17 30.846 3.174 11.963 132 HA LEU 17 HA LEU 17 31.619 1.081 10.247 133 HB2 LEU 17 1HB LEU 17 29.501 3.168 9.678 134 HB3 LEU 17 2HB LEU 17 29.641 1.581 8.931 135 HG LEU 17 HG LEU 17 29.246 2.037 11.901 136 HD11 LEU 17 1HD1 LEU 17 27.288 1.192 9.743 137 HD12 LEU 17 2HD1 LEU 17 27.257 2.716 10.631 138 HD13 LEU 17 3HD1 LEU 17 26.948 1.198 11.473 139 HD21 LEU 17 1HD2 LEU 17 30.307 -0.063 11.614 140 HD22 LEU 17 2HD2 LEU 17 29.428 -0.397 10.122 141 HD23 LEU 17 3HD2 LEU 17 28.590 -0.461 11.673 142 H LEU 18 H LEU 18 31.871 4.595 9.851 143 HA LEU 18 HA LEU 18 32.728 4.609 7.166 144 HB2 LEU 18 1HB LEU 18 32.175 6.647 8.541 145 HB3 LEU 18 2HB LEU 18 33.749 6.469 9.317 146 HG LEU 18 HG LEU 18 34.773 6.481 6.992 147 HD11 LEU 18 1HD1 LEU 18 32.986 6.018 5.535 148 HD12 LEU 18 2HD1 LEU 18 33.200 7.758 5.347 149 HD13 LEU 18 3HD1 LEU 18 31.900 7.135 6.363 150 HD21 LEU 18 1HD2 LEU 18 33.234 8.996 7.686 151 HD22 LEU 18 2HD2 LEU 18 34.803 8.882 6.888 152 HD23 LEU 18 3HD2 LEU 18 34.647 8.458 8.593 153 H LEU 19 H LEU 19 34.534 4.041 10.172 154 HA LEU 19 HA LEU 19 37.096 3.780 9.018 155 HB2 LEU 19 1HB LEU 19 36.577 3.749 11.489 156 HB3 LEU 19 2HB LEU 19 36.053 2.077 11.286 157 HG LEU 19 HG LEU 19 38.321 1.615 10.235 158 HD11 LEU 19 1HD1 LEU 19 38.744 4.420 11.277 159 HD12 LEU 19 2HD1 LEU 19 39.095 3.791 9.667 160 HD13 LEU 19 3HD1 LEU 19 40.087 3.302 11.041 161 HD21 LEU 19 1HD2 LEU 19 39.430 1.417 12.411 162 HD22 LEU 19 2HD2 LEU 19 37.722 1.012 12.579 163 HD23 LEU 19 3HD2 LEU 19 38.311 2.587 13.110 164 H ALA 20 H ALA 20 34.398 1.501 9.197 165 HA ALA 20 HA ALA 20 35.687 -0.742 8.084 166 HB1 ALA 20 1HB ALA 20 33.236 -0.392 9.022 167 HB2 ALA 20 2HB ALA 20 33.580 -1.649 7.835 168 HB3 ALA 20 3HB ALA 20 32.866 -0.122 7.319 169 H CYS 21 H CYS 21 34.179 2.077 6.546 170 HA CYS 21 HA CYS 21 34.453 1.237 3.872 171 HB2 CYS 21 1HB CYS 21 34.727 4.078 4.878 172 HB3 CYS 21 2HB CYS 21 34.284 3.566 3.253 173 HG CYS 21 HG CYS 21 31.984 3.823 4.222 174 H ILE 22 H ILE 22 36.765 2.790 6.074 175 HA ILE 22 HA ILE 22 38.822 3.244 4.202 176 HB ILE 22 HB ILE 22 39.135 2.464 7.111 177 HG12 ILE 22 1HG1 ILE 22 37.625 4.376 6.914 178 HG13 ILE 22 2HG1 ILE 22 39.183 4.909 7.531 179 HG21 ILE 22 1HG2 ILE 22 41.254 3.687 6.960 180 HG22 ILE 22 2HG2 ILE 22 40.942 4.047 5.261 181 HG23 ILE 22 3HG2 ILE 22 41.216 2.381 5.774 182 HD11 ILE 22 1HD1 ILE 22 39.452 5.169 4.756 183 HD12 ILE 22 2HD1 ILE 22 39.137 6.471 5.901 184 HD13 ILE 22 3HD1 ILE 22 37.796 5.678 5.080 185 H PHE 23 H PHE 23 37.969 0.328 6.066 186 HA PHE 23 HA PHE 23 40.069 -1.307 5.152 187 HB2 PHE 23 1HB PHE 23 38.384 -1.946 6.886 188 HB3 PHE 23 2HB PHE 23 37.219 -2.188 5.599 189 HD1 PHE 23 HD1 PHE 23 37.396 -4.086 4.072 190 HD2 PHE 23 HD2 PHE 23 40.250 -3.480 7.225 191 HE1 PHE 23 HE1 PHE 23 38.218 -6.406 3.775 192 HE2 PHE 23 HE2 PHE 23 41.071 -5.802 6.928 193 HZ PHE 23 HZ PHE 23 40.055 -7.265 5.202 194 H LEU 24 H LEU 24 36.996 -0.443 3.580 195 HA LEU 24 HA LEU 24 37.249 -2.067 1.315 196 HB2 LEU 24 1HB LEU 24 35.312 -0.521 2.019 197 HB3 LEU 24 2HB LEU 24 36.189 0.746 1.165 198 HG LEU 24 HG LEU 24 35.758 -1.863 -0.245 199 HD11 LEU 24 1HD1 LEU 24 33.576 -0.796 -1.122 200 HD12 LEU 24 2HD1 LEU 24 33.644 0.216 0.320 201 HD13 LEU 24 3HD1 LEU 24 33.529 -1.537 0.478 202 HD21 LEU 24 1HD2 LEU 24 36.974 -0.412 -1.591 203 HD22 LEU 24 2HD2 LEU 24 36.198 1.025 -0.928 204 HD23 LEU 24 3HD2 LEU 24 35.341 0.014 -2.091 205 H ILE 25 H ILE 25 38.738 1.093 2.011 206 HA ILE 25 HA ILE 25 39.956 1.481 -0.488 207 HB ILE 25 HB ILE 25 41.136 2.210 2.205 208 HG12 ILE 25 1HG1 ILE 25 39.361 3.847 0.369 209 HG13 ILE 25 2HG1 ILE 25 38.776 3.024 1.814 210 HG21 ILE 25 1HG2 ILE 25 42.331 3.922 0.964 211 HG22 ILE 25 2HG2 ILE 25 41.517 3.458 -0.531 212 HG23 ILE 25 3HG2 ILE 25 42.667 2.356 0.226 213 HD11 ILE 25 1HD1 ILE 25 40.637 4.295 3.070 214 HD12 ILE 25 2HD1 ILE 25 39.233 5.225 2.550 215 HD13 ILE 25 3HD1 ILE 25 40.735 5.310 1.631 216 H ALA 26 H ALA 26 40.978 -0.542 2.250 217 HA ALA 26 HA ALA 26 43.449 -1.372 1.210 218 HB1 ALA 26 1HB ALA 26 42.428 -1.917 3.494 219 HB2 ALA 26 2HB ALA 26 43.322 -3.213 2.700 220 HB3 ALA 26 3HB ALA 26 41.559 -3.214 2.674 221 H ILE 27 H ILE 27 40.177 -2.656 0.645 222 HA ILE 27 HA ILE 27 40.906 -4.736 -1.105 223 HB ILE 27 HB ILE 27 38.385 -3.057 -1.191 224 HG12 ILE 27 1HG1 ILE 27 38.919 -5.677 0.241 225 HG13 ILE 27 2HG1 ILE 27 38.918 -4.105 1.040 226 HG21 ILE 27 1HG2 ILE 27 37.391 -5.011 -2.265 227 HG22 ILE 27 2HG2 ILE 27 38.915 -5.891 -2.135 228 HG23 ILE 27 3HG2 ILE 27 38.794 -4.488 -3.198 229 HD11 ILE 27 1HD1 ILE 27 36.596 -5.417 -0.398 230 HD12 ILE 27 2HD1 ILE 27 36.578 -3.751 0.183 231 HD13 ILE 27 3HD1 ILE 27 36.724 -5.083 1.330 232 H LEU 28 H LEU 28 40.466 -1.269 -1.691 233 HA LEU 28 HA LEU 28 40.596 -1.328 -4.502 234 HB2 LEU 28 1HB LEU 28 40.044 0.691 -3.118 235 HB3 LEU 28 2HB LEU 28 41.760 0.831 -2.738 236 HG LEU 28 HG LEU 28 42.190 0.824 -5.250 237 HD11 LEU 28 1HD1 LEU 28 40.161 -0.022 -6.142 238 HD12 LEU 28 2HD1 LEU 28 40.127 1.699 -6.527 239 HD13 LEU 28 3HD1 LEU 28 39.181 1.078 -5.173 240 HD21 LEU 28 1HD2 LEU 28 41.290 3.250 -5.451 241 HD22 LEU 28 2HD2 LEU 28 42.437 2.906 -4.155 242 HD23 LEU 28 3HD2 LEU 28 40.714 3.021 -3.800 243 H ALA 29 H ALA 29 43.164 -1.415 -2.066 244 HA ALA 29 HA ALA 29 45.365 -1.232 -3.813 245 HB1 ALA 29 1HB ALA 29 46.662 -2.238 -2.064 246 HB2 ALA 29 2HB ALA 29 45.232 -2.982 -1.351 247 HB3 ALA 29 3HB ALA 29 45.440 -1.232 -1.287 248 H ALA 30 H ALA 30 43.408 -4.017 -2.824 249 HA ALA 30 HA ALA 30 44.867 -6.005 -4.188 250 HB1 ALA 30 1HB ALA 30 42.885 -7.371 -4.014 251 HB2 ALA 30 2HB ALA 30 41.869 -5.948 -3.782 252 HB3 ALA 30 3HB ALA 30 43.027 -6.420 -2.538 253 H SER 31 H SER 31 42.239 -3.885 -5.294 254 HA SER 31 HA SER 31 41.932 -5.010 -7.850 255 HB2 SER 31 1HB SER 31 40.712 -3.083 -8.432 256 HB3 SER 31 2HB SER 31 40.473 -3.243 -6.697 257 HG SER 31 HG SER 31 42.052 -1.431 -8.155 258 H ALA 32 H ALA 32 44.261 -2.610 -6.662 259 HA ALA 32 HA ALA 32 45.347 -1.878 -9.150 260 HB1 ALA 32 1HB ALA 32 47.398 -1.314 -7.855 261 HB2 ALA 32 2HB ALA 32 46.696 -2.115 -6.449 262 HB3 ALA 32 3HB ALA 32 45.929 -0.675 -7.117 263 H LEU 33 H LEU 33 46.117 -4.583 -6.972 264 HA LEU 33 HA LEU 33 48.259 -5.652 -8.461 265 HB2 LEU 33 1HB LEU 33 47.591 -6.392 -6.174 266 HB3 LEU 33 2HB LEU 33 46.196 -7.205 -6.883 267 HG LEU 33 HG LEU 33 47.837 -8.457 -8.377 268 HD11 LEU 33 1HD1 LEU 33 50.168 -8.580 -7.262 269 HD12 LEU 33 2HD1 LEU 33 49.729 -7.058 -6.485 270 HD13 LEU 33 3HD1 LEU 33 49.812 -7.159 -8.245 271 HD21 LEU 33 1HD2 LEU 33 47.951 -8.797 -5.364 272 HD22 LEU 33 2HD2 LEU 33 48.519 -10.006 -6.517 273 HD23 LEU 33 3HD2 LEU 33 46.812 -9.564 -6.472 274 H TRP 34 H TRP 34 44.747 -6.101 -8.786 275 HA TRP 34 HA TRP 34 44.797 -7.978 -10.884 276 HB2 TRP 34 1HB TRP 34 42.765 -7.186 -9.621 277 HB3 TRP 34 2HB TRP 34 42.803 -5.736 -10.605 278 HD1 TRP 34 HD1 TRP 34 41.727 -5.841 -12.932 279 HE1 TRP 34 HE1 TRP 34 40.567 -7.689 -14.302 280 HE3 TRP 34 HE3 TRP 34 42.872 -9.910 -10.069 281 HZ2 TRP 34 HZ2 TRP 34 40.172 -10.523 -14.197 282 HZ3 TRP 34 HZ3 TRP 34 42.093 -12.167 -10.723 283 HH2 TRP 34 HH2 TRP 34 40.747 -12.481 -12.781 284 H ALA 35 H ALA 35 45.281 -4.490 -10.914 285 HA ALA 35 HA ALA 35 45.121 -4.063 -13.686 286 HB1 ALA 35 1HB ALA 35 47.145 -2.598 -12.037 287 HB2 ALA 35 2HB ALA 35 45.430 -2.389 -11.683 288 HB3 ALA 35 3HB ALA 35 46.057 -1.983 -13.280 289 H ALA 36 H ALA 36 47.849 -5.040 -11.649 290 HA ALA 36 HA ALA 36 49.795 -5.162 -13.683 291 HB1 ALA 36 1HB ALA 36 49.706 -7.098 -11.379 292 HB2 ALA 36 2HB ALA 36 50.089 -5.394 -11.136 293 HB3 ALA 36 3HB ALA 36 51.114 -6.389 -12.170 294 H ALA 37 H ALA 37 47.448 -7.583 -12.582 295 HA ALA 37 HA ALA 37 48.331 -9.730 -14.152 296 HB1 ALA 37 1HB ALA 37 45.414 -9.275 -13.624 297 HB2 ALA 37 2HB ALA 37 46.516 -9.615 -12.291 298 HB3 ALA 37 3HB ALA 37 46.330 -10.782 -13.600 299 H TRP 38 H TRP 38 46.236 -7.024 -14.990 300 HA TRP 38 HA TRP 38 45.173 -7.970 -17.369 301 HB2 TRP 38 1HB TRP 38 45.751 -5.254 -16.300 302 HB3 TRP 38 2HB TRP 38 45.281 -5.402 -17.983 303 HD1 TRP 38 HD1 TRP 38 43.741 -4.530 -14.964 304 HE1 TRP 38 HE1 TRP 38 41.258 -5.206 -14.848 305 HE3 TRP 38 HE3 TRP 38 43.580 -7.933 -18.764 306 HZ2 TRP 38 HZ2 TRP 38 39.438 -6.962 -16.194 307 HZ3 TRP 38 HZ3 TRP 38 41.466 -9.090 -19.325 308 HH2 TRP 38 HH2 TRP 38 39.396 -8.612 -18.050 309 H HIS 39 H HIS 39 48.467 -7.001 -16.777 310 HA HIS 39 HA HIS 39 49.155 -5.970 -19.285 311 HB2 HIS 39 1HB HIS 39 50.820 -7.555 -17.329 312 HB3 HIS 39 2HB HIS 39 51.471 -6.704 -18.716 313 HD1 HIS 39 HD1 HIS 39 52.386 -5.949 -15.884 314 HD2 HIS 39 HD2 HIS 39 49.218 -4.079 -17.845 315 HE1 HIS 39 HE1 HIS 39 52.116 -3.678 -14.801 316 H GLY 40 H GLY 40 49.753 -6.828 -21.198 317 HA2 GLY 40 1HA GLY 40 49.039 -9.467 -21.932 318 HA3 GLY 40 2HA GLY 40 50.007 -8.355 -22.894 319 H GLN 41 H GLN 41 50.243 -11.336 -22.133 320 HA GLN 41 HA GLN 41 52.758 -11.732 -20.959 321 HB2 GLN 41 1HB GLN 41 51.418 -13.197 -23.237 322 HB3 GLN 41 2HB GLN 41 52.872 -13.761 -22.410 323 HG2 GLN 41 1HG GLN 41 51.675 -13.826 -20.280 324 HG3 GLN 41 2HG GLN 41 50.228 -13.176 -21.047 325 HE21 GLN 41 1HE2 GLN 41 50.256 -15.727 -19.702 326 HE22 GLN 41 2HE2 GLN 41 49.988 -16.932 -20.868 327 H LYS 42 H LYS 42 51.970 -10.186 -23.949 328 HA LYS 42 HA LYS 42 54.012 -11.010 -25.623 329 HB2 LYS 42 1HB LYS 42 52.399 -8.483 -25.535 330 HB3 LYS 42 2HB LYS 42 53.530 -8.851 -26.838 331 HG2 LYS 42 1HG LYS 42 52.310 -10.734 -27.540 332 HG3 LYS 42 2HG LYS 42 51.453 -10.865 -26.004 333 HD2 LYS 42 1HD LYS 42 49.808 -9.917 -27.348 334 HD3 LYS 42 2HD LYS 42 50.542 -8.475 -26.645 335 HE2 LYS 42 1HE LYS 42 51.664 -7.920 -28.609 336 HE3 LYS 42 2HE LYS 42 51.650 -9.580 -29.207 337 HZ1 LYS 42 1HZ LYS 42 49.140 -9.293 -29.295 338 HZ2 LYS 42 2HZ LYS 42 50.056 -8.483 -30.474 339 HZ3 LYS 42 3HZ LYS 42 49.432 -7.629 -29.146 340 HA PRO 43 HA PRO 43 56.557 -7.014 -24.298 341 HB2 PRO 43 1HB PRO 43 56.745 -7.730 -21.401 342 HB3 PRO 43 2HB PRO 43 56.751 -6.130 -22.173 343 HG2 PRO 43 1HG PRO 43 54.592 -6.987 -20.939 344 HG3 PRO 43 2HG PRO 43 54.458 -6.126 -22.486 345 HD2 PRO 43 1HD PRO 43 54.224 -9.063 -21.946 346 HD3 PRO 43 2HD PRO 43 53.277 -8.052 -23.061 347 H GLY 44 H GLY 44 58.774 -7.170 -24.375 348 HA2 GLY 44 1HA GLY 44 60.807 -8.197 -24.650 349 HA3 GLY 44 2HA GLY 44 60.378 -9.192 -23.262 350 H THR 45 H THR 45 58.872 -8.934 -26.471 351 HA THR 45 HA THR 45 58.462 -11.677 -26.845 352 HB THR 45 HB THR 45 58.935 -9.615 -29.010 353 HG1 THR 45 HG1 THR 45 56.792 -9.150 -28.799 354 HG21 THR 45 1HG2 THR 45 57.564 -12.305 -28.899 355 HG22 THR 45 2HG2 THR 45 58.870 -11.795 -29.968 356 HG23 THR 45 3HG2 THR 45 57.247 -11.139 -30.183 357 H HIS 46 H HIS 46 59.634 -13.288 -27.867 358 HA HIS 46 HA HIS 46 61.507 -14.444 -28.523 359 HB2 HIS 46 1HB HIS 46 61.292 -12.971 -30.480 360 HB3 HIS 46 2HB HIS 46 62.257 -11.751 -29.671 361 HD1 HIS 46 HD1 HIS 46 64.794 -12.042 -29.699 362 HD2 HIS 46 HD2 HIS 46 62.771 -15.284 -31.363 363 HE1 HIS 46 HE1 HIS 46 66.549 -13.482 -30.820 Start of MODEL 15 1 H ARG 1 3H ARG 1 24.695 22.159 14.878 2 HA ARG 1 HA ARG 1 23.990 20.868 17.152 3 HB2 ARG 1 1HB ARG 1 25.604 19.023 15.363 4 HB3 ARG 1 2HB ARG 1 25.335 18.777 17.090 5 HG2 ARG 1 1HG ARG 1 22.880 18.747 16.671 6 HG3 ARG 1 2HG ARG 1 23.198 18.886 14.941 7 HD2 ARG 1 1HD ARG 1 24.591 16.791 15.113 8 HD3 ARG 1 2HD ARG 1 24.026 16.621 16.772 9 HE ARG 1 HE ARG 1 21.989 15.896 15.952 10 HH11 ARG 1 1HH1 ARG 1 23.730 17.445 13.325 11 HH12 ARG 1 2HH1 ARG 1 22.565 16.964 12.137 12 HH21 ARG 1 1HH2 ARG 1 20.526 15.304 14.377 13 HH22 ARG 1 2HH2 ARG 1 20.774 15.767 12.726 14 H SER 2 H SER 2 25.053 23.106 17.083 15 HA SER 2 HA SER 2 27.777 23.492 16.593 16 HB2 SER 2 1HB SER 2 26.145 25.315 17.045 17 HB3 SER 2 2HB SER 2 26.102 24.823 18.734 18 HG SER 2 HG SER 2 27.728 26.517 17.739 19 H LEU 3 H LEU 3 29.616 23.330 17.844 20 HA LEU 3 HA LEU 3 29.843 21.217 19.658 21 HB2 LEU 3 1HB LEU 3 31.694 22.307 18.349 22 HB3 LEU 3 2HB LEU 3 31.655 23.632 19.510 23 HG LEU 3 HG LEU 3 31.930 21.776 21.309 24 HD11 LEU 3 1HD1 LEU 3 31.543 20.020 19.385 25 HD12 LEU 3 2HD1 LEU 3 32.730 19.686 20.645 26 HD13 LEU 3 3HD1 LEU 3 33.259 20.276 19.071 27 HD21 LEU 3 1HD2 LEU 3 34.344 21.929 21.125 28 HD22 LEU 3 2HD2 LEU 3 33.653 23.465 20.601 29 HD23 LEU 3 3HD2 LEU 3 34.229 22.304 19.405 30 H LEU 4 H LEU 4 28.900 24.537 20.237 31 HA LEU 4 HA LEU 4 29.603 24.805 22.941 32 HB2 LEU 4 1HB LEU 4 27.213 25.979 21.504 33 HB3 LEU 4 2HB LEU 4 27.892 26.555 23.025 34 HG LEU 4 HG LEU 4 29.400 26.441 20.395 35 HD11 LEU 4 1HD1 LEU 4 29.172 28.890 20.406 36 HD12 LEU 4 2HD1 LEU 4 28.222 28.805 21.889 37 HD13 LEU 4 3HD1 LEU 4 27.582 28.126 20.391 38 HD21 LEU 4 1HD2 LEU 4 30.975 27.953 21.710 39 HD22 LEU 4 2HD2 LEU 4 30.938 26.269 22.235 40 HD23 LEU 4 3HD2 LEU 4 30.071 27.499 23.154 41 H GLU 5 H GLU 5 27.026 22.979 21.469 42 HA GLU 5 HA GLU 5 25.293 22.898 23.733 43 HB2 GLU 5 1HB GLU 5 25.516 21.059 21.347 44 HB3 GLU 5 2HB GLU 5 24.207 21.016 22.529 45 HG2 GLU 5 1HG GLU 5 23.703 23.397 22.011 46 HG3 GLU 5 2HG GLU 5 24.951 23.371 20.773 47 H GLY 6 H GLY 6 28.150 21.073 22.902 48 HA2 GLY 6 1HA GLY 6 29.347 19.543 24.134 49 HA3 GLY 6 2HA GLY 6 28.309 19.933 25.497 50 H GLU 7 H GLU 7 26.931 18.754 22.489 51 HA GLU 7 HA GLU 7 25.490 16.679 23.685 52 HB2 GLU 7 1HB GLU 7 25.040 17.664 21.427 53 HB3 GLU 7 2HB GLU 7 26.429 16.766 20.810 54 HG2 GLU 7 1HG GLU 7 25.372 14.654 21.600 55 HG3 GLU 7 2HG GLU 7 23.963 15.575 22.109 56 H ILE 8 H ILE 8 25.820 14.470 23.884 57 HA ILE 8 HA ILE 8 28.384 13.601 24.523 58 HB ILE 8 HB ILE 8 25.983 11.935 23.721 59 HG12 ILE 8 1HG1 ILE 8 26.944 12.772 26.472 60 HG13 ILE 8 2HG1 ILE 8 25.638 13.576 25.602 61 HG21 ILE 8 1HG2 ILE 8 28.135 10.673 23.741 62 HG22 ILE 8 2HG2 ILE 8 27.034 10.149 25.015 63 HG23 ILE 8 3HG2 ILE 8 28.396 11.198 25.405 64 HD11 ILE 8 1HD1 ILE 8 24.550 12.002 27.011 65 HD12 ILE 8 2HD1 ILE 8 25.719 10.737 26.628 66 HD13 ILE 8 3HD1 ILE 8 24.551 11.257 25.412 67 HA PRO 9 HA PRO 9 30.183 12.708 20.486 68 HB2 PRO 9 1HB PRO 9 31.429 10.321 21.756 69 HB3 PRO 9 2HB PRO 9 32.190 11.655 20.865 70 HG2 PRO 9 1HG PRO 9 32.405 11.473 23.500 71 HG3 PRO 9 2HG PRO 9 32.220 13.044 22.696 72 HD2 PRO 9 1HD PRO 9 30.177 11.457 24.206 73 HD3 PRO 9 2HD PRO 9 30.420 13.217 24.153 74 H PHE 10 H PHE 10 29.711 11.393 18.724 75 HA PHE 10 HA PHE 10 27.472 9.733 18.753 76 HB2 PHE 10 1HB PHE 10 29.803 9.860 16.844 77 HB3 PHE 10 2HB PHE 10 28.388 8.864 16.559 78 HD1 PHE 10 HD1 PHE 10 29.619 12.341 16.907 79 HD2 PHE 10 HD2 PHE 10 26.321 9.822 15.799 80 HE1 PHE 10 HE1 PHE 10 28.471 14.292 15.894 81 HE2 PHE 10 HE2 PHE 10 25.172 11.772 14.785 82 HZ PHE 10 HZ PHE 10 26.248 14.007 14.831 83 HA PRO 11 HA PRO 11 28.759 6.065 20.725 84 HB2 PRO 11 1HB PRO 11 27.592 4.436 18.514 85 HB3 PRO 11 2HB PRO 11 27.263 4.374 20.256 86 HG2 PRO 11 1HG PRO 11 25.535 5.458 18.554 87 HG3 PRO 11 2HG PRO 11 25.787 6.127 20.178 88 HD2 PRO 11 1HD PRO 11 26.734 7.180 17.546 89 HD3 PRO 11 2HD PRO 11 26.244 8.060 19.011 90 HA PRO 12 HA PRO 12 32.634 5.123 18.723 91 HB2 PRO 12 1HB PRO 12 32.680 2.501 20.116 92 HB3 PRO 12 2HB PRO 12 33.844 3.837 20.180 93 HG2 PRO 12 1HG PRO 12 32.203 3.274 22.212 94 HG3 PRO 12 2HG PRO 12 32.711 4.929 21.829 95 HD2 PRO 12 1HD PRO 12 30.080 3.606 21.315 96 HD3 PRO 12 2HD PRO 12 30.440 5.302 21.709 97 H THR 13 H THR 13 30.115 2.621 18.810 98 HA THR 13 HA THR 13 31.145 0.962 16.786 99 HB THR 13 HB THR 13 29.284 0.224 18.146 100 HG1 THR 13 HG1 THR 13 28.259 0.592 15.545 101 HG21 THR 13 1HG2 THR 13 28.210 2.431 18.461 102 HG22 THR 13 2HG2 THR 13 27.053 1.218 17.917 103 HG23 THR 13 3HG2 THR 13 27.683 2.408 16.779 104 H SER 14 H SER 14 29.210 3.937 16.582 105 HA SER 14 HA SER 14 28.765 3.875 13.795 106 HB2 SER 14 1HB SER 14 27.659 5.464 15.365 107 HB3 SER 14 2HB SER 14 29.194 6.308 15.546 108 HG SER 14 HG SER 14 27.481 6.103 13.325 109 H ILE 15 H ILE 15 31.446 5.163 15.737 110 HA ILE 15 HA ILE 15 32.955 6.248 13.618 111 HB ILE 15 HB ILE 15 34.037 4.904 16.104 112 HG12 ILE 15 1HG1 ILE 15 32.362 6.586 16.726 113 HG13 ILE 15 2HG1 ILE 15 33.978 7.158 17.121 114 HG21 ILE 15 1HG2 ILE 15 35.168 7.038 14.275 115 HG22 ILE 15 2HG2 ILE 15 35.753 5.384 14.443 116 HG23 ILE 15 3HG2 ILE 15 35.906 6.513 15.788 117 HD11 ILE 15 1HD1 ILE 15 32.350 7.945 14.683 118 HD12 ILE 15 2HD1 ILE 15 33.997 8.484 15.010 119 HD13 ILE 15 3HD1 ILE 15 32.684 8.958 16.085 120 H LEU 16 H LEU 16 32.716 2.927 14.831 121 HA LEU 16 HA LEU 16 34.805 1.799 13.319 122 HB2 LEU 16 1HB LEU 16 33.513 0.649 15.139 123 HB3 LEU 16 2HB LEU 16 32.176 0.468 14.003 124 HG LEU 16 HG LEU 16 33.959 -0.607 12.436 125 HD11 LEU 16 1HD1 LEU 16 35.761 0.147 14.202 126 HD12 LEU 16 2HD1 LEU 16 35.931 -1.408 13.388 127 HD13 LEU 16 3HD1 LEU 16 35.288 -1.336 15.028 128 HD21 LEU 16 1HD2 LEU 16 32.836 -1.889 14.936 129 HD22 LEU 16 2HD2 LEU 16 33.666 -2.819 13.687 130 HD23 LEU 16 3HD2 LEU 16 32.181 -1.949 13.300 131 H LEU 17 H LEU 17 31.425 2.491 12.475 132 HA LEU 17 HA LEU 17 31.405 1.248 9.953 133 HB2 LEU 17 1HB LEU 17 29.967 3.776 10.798 134 HB3 LEU 17 2HB LEU 17 29.563 2.778 9.401 135 HG LEU 17 HG LEU 17 29.568 1.788 12.268 136 HD11 LEU 17 1HD1 LEU 17 27.316 2.682 10.443 137 HD12 LEU 17 2HD1 LEU 17 27.768 3.384 11.997 138 HD13 LEU 17 3HD1 LEU 17 27.067 1.768 11.931 139 HD21 LEU 17 1HD2 LEU 17 28.826 0.579 9.597 140 HD22 LEU 17 2HD2 LEU 17 28.186 -0.060 11.111 141 HD23 LEU 17 3HD2 LEU 17 29.925 -0.064 10.818 142 H LEU 18 H LEU 18 32.530 4.470 10.925 143 HA LEU 18 HA LEU 18 33.104 5.447 8.340 144 HB2 LEU 18 1HB LEU 18 34.588 5.993 10.923 145 HB3 LEU 18 2HB LEU 18 34.677 6.970 9.457 146 HG LEU 18 HG LEU 18 32.122 6.430 11.000 147 HD11 LEU 18 1HD1 LEU 18 32.352 8.544 12.008 148 HD12 LEU 18 2HD1 LEU 18 33.567 9.070 10.843 149 HD13 LEU 18 3HD1 LEU 18 33.988 7.892 12.087 150 HD21 LEU 18 1HD2 LEU 18 31.578 6.905 8.731 151 HD22 LEU 18 2HD2 LEU 18 32.844 8.125 8.602 152 HD23 LEU 18 3HD2 LEU 18 31.404 8.447 9.568 153 H LEU 19 H LEU 19 35.034 3.461 10.556 154 HA LEU 19 HA LEU 19 37.354 3.293 8.968 155 HB2 LEU 19 1HB LEU 19 36.209 1.166 10.789 156 HB3 LEU 19 2HB LEU 19 37.873 1.260 10.218 157 HG LEU 19 HG LEU 19 36.492 3.366 11.909 158 HD11 LEU 19 1HD1 LEU 19 37.587 2.488 13.775 159 HD12 LEU 19 2HD1 LEU 19 38.796 1.651 12.800 160 HD13 LEU 19 3HD1 LEU 19 37.154 1.020 12.899 161 HD21 LEU 19 1HD2 LEU 19 38.158 4.513 10.704 162 HD22 LEU 19 2HD2 LEU 19 39.236 3.118 10.685 163 HD23 LEU 19 3HD2 LEU 19 39.007 4.034 12.174 164 H ALA 20 H ALA 20 34.311 1.523 8.795 165 HA ALA 20 HA ALA 20 35.138 -0.500 7.022 166 HB1 ALA 20 1HB ALA 20 32.844 -0.935 6.664 167 HB2 ALA 20 2HB ALA 20 32.390 0.739 6.981 168 HB3 ALA 20 3HB ALA 20 32.925 -0.295 8.305 169 H CYS 21 H CYS 21 33.884 2.762 6.415 170 HA CYS 21 HA CYS 21 33.717 2.553 3.608 171 HB2 CYS 21 1HB CYS 21 34.337 4.994 5.292 172 HB3 CYS 21 2HB CYS 21 33.824 5.017 3.605 173 HG CYS 21 HG CYS 21 32.013 4.147 5.993 174 H ILE 22 H ILE 22 36.395 3.556 5.726 175 HA ILE 22 HA ILE 22 38.241 4.179 3.685 176 HB ILE 22 HB ILE 22 38.820 2.985 6.412 177 HG12 ILE 22 1HG1 ILE 22 38.727 5.896 5.563 178 HG13 ILE 22 2HG1 ILE 22 37.416 5.080 6.416 179 HG21 ILE 22 1HG2 ILE 22 40.559 4.735 4.648 180 HG22 ILE 22 2HG2 ILE 22 40.714 2.981 4.743 181 HG23 ILE 22 3HG2 ILE 22 41.016 3.971 6.171 182 HD11 ILE 22 1HD1 ILE 22 40.251 5.481 7.411 183 HD12 ILE 22 2HD1 ILE 22 39.042 4.496 8.236 184 HD13 ILE 22 3HD1 ILE 22 38.790 6.232 8.052 185 H PHE 23 H PHE 23 37.390 1.075 5.194 186 HA PHE 23 HA PHE 23 39.357 -0.503 3.972 187 HB2 PHE 23 1HB PHE 23 37.771 -1.225 5.770 188 HB3 PHE 23 2HB PHE 23 36.517 -1.338 4.550 189 HD1 PHE 23 HD1 PHE 23 39.794 -2.703 5.637 190 HD2 PHE 23 HD2 PHE 23 36.364 -3.238 3.106 191 HE1 PHE 23 HE1 PHE 23 40.537 -5.011 5.118 192 HE2 PHE 23 HE2 PHE 23 37.109 -5.546 2.587 193 HZ PHE 23 HZ PHE 23 39.195 -6.432 3.592 194 H LEU 24 H LEU 24 36.211 0.596 2.727 195 HA LEU 24 HA LEU 24 36.201 -0.880 0.349 196 HB2 LEU 24 1HB LEU 24 34.312 0.512 1.184 197 HB3 LEU 24 2HB LEU 24 35.209 1.955 0.711 198 HG LEU 24 HG LEU 24 35.320 1.010 -1.631 199 HD11 LEU 24 1HD1 LEU 24 33.471 -0.721 -2.069 200 HD12 LEU 24 2HD1 LEU 24 33.486 -1.010 -0.330 201 HD13 LEU 24 3HD1 LEU 24 34.935 -1.314 -1.286 202 HD21 LEU 24 1HD2 LEU 24 32.745 1.359 -1.974 203 HD22 LEU 24 2HD2 LEU 24 33.718 2.704 -1.380 204 HD23 LEU 24 3HD2 LEU 24 32.748 1.752 -0.255 205 H ILE 25 H ILE 25 37.778 2.234 1.079 206 HA ILE 25 HA ILE 25 38.870 2.690 -1.468 207 HB ILE 25 HB ILE 25 40.141 3.311 1.212 208 HG12 ILE 25 1HG1 ILE 25 38.366 5.029 -0.549 209 HG13 ILE 25 2HG1 ILE 25 37.795 4.172 0.882 210 HG21 ILE 25 1HG2 ILE 25 41.696 3.522 -0.700 211 HG22 ILE 25 2HG2 ILE 25 41.283 5.105 -0.044 212 HG23 ILE 25 3HG2 ILE 25 40.528 4.544 -1.536 213 HD11 ILE 25 1HD1 ILE 25 38.320 6.454 1.520 214 HD12 ILE 25 2HD1 ILE 25 39.922 6.329 0.793 215 HD13 ILE 25 3HD1 ILE 25 39.530 5.385 2.230 216 H ALA 26 H ALA 26 40.004 0.594 1.158 217 HA ALA 26 HA ALA 26 42.440 -0.187 0.007 218 HB1 ALA 26 1HB ALA 26 40.778 -2.180 1.495 219 HB2 ALA 26 2HB ALA 26 41.346 -0.740 2.339 220 HB3 ALA 26 3HB ALA 26 42.507 -1.851 1.612 221 H ILE 27 H ILE 27 39.155 -1.460 -0.472 222 HA ILE 27 HA ILE 27 39.862 -3.695 -2.028 223 HB ILE 27 HB ILE 27 37.367 -2.006 -2.297 224 HG12 ILE 27 1HG1 ILE 27 37.682 -2.674 0.039 225 HG13 ILE 27 2HG1 ILE 27 36.365 -3.593 -0.681 226 HG21 ILE 27 1HG2 ILE 27 37.408 -3.515 -4.108 227 HG22 ILE 27 2HG2 ILE 27 36.433 -4.338 -2.892 228 HG23 ILE 27 3HG2 ILE 27 38.117 -4.802 -3.134 229 HD11 ILE 27 1HD1 ILE 27 37.768 -5.088 0.638 230 HD12 ILE 27 2HD1 ILE 27 39.204 -4.565 -0.238 231 HD13 ILE 27 3HD1 ILE 27 37.953 -5.489 -1.068 232 H LEU 28 H LEU 28 39.333 -0.303 -2.947 233 HA LEU 28 HA LEU 28 39.623 -0.641 -5.733 234 HB2 LEU 28 1HB LEU 28 40.179 1.646 -3.870 235 HB3 LEU 28 2HB LEU 28 40.607 1.761 -5.578 236 HG LEU 28 HG LEU 28 38.197 0.987 -6.054 237 HD11 LEU 28 1HD1 LEU 28 36.624 1.699 -4.175 238 HD12 LEU 28 2HD1 LEU 28 38.035 1.701 -3.120 239 HD13 LEU 28 3HD1 LEU 28 37.517 0.205 -3.897 240 HD21 LEU 28 1HD2 LEU 28 38.935 3.277 -6.465 241 HD22 LEU 28 2HD2 LEU 28 38.754 3.672 -4.755 242 HD23 LEU 28 3HD2 LEU 28 37.331 3.313 -5.732 243 H ALA 29 H ALA 29 42.045 -0.341 -3.171 244 HA ALA 29 HA ALA 29 44.333 -0.288 -4.812 245 HB1 ALA 29 1HB ALA 29 45.571 -0.842 -2.883 246 HB2 ALA 29 2HB ALA 29 44.224 -1.727 -2.167 247 HB3 ALA 29 3HB ALA 29 44.169 0.032 -2.269 248 H ALA 30 H ALA 30 42.414 -2.998 -3.589 249 HA ALA 30 HA ALA 30 44.110 -5.077 -4.435 250 HB1 ALA 30 1HB ALA 30 42.374 -6.514 -3.919 251 HB2 ALA 30 2HB ALA 30 41.141 -5.420 -4.545 252 HB3 ALA 30 3HB ALA 30 41.904 -5.092 -2.989 253 H SER 31 H SER 31 41.516 -3.352 -6.145 254 HA SER 31 HA SER 31 41.514 -4.897 -8.486 255 HB2 SER 31 1HB SER 31 39.859 -3.101 -7.920 256 HB3 SER 31 2HB SER 31 41.089 -1.907 -8.322 257 HG SER 31 HG SER 31 41.196 -2.971 -10.410 258 H ALA 32 H ALA 32 43.558 -2.132 -7.563 259 HA ALA 32 HA ALA 32 44.965 -1.905 -9.989 260 HB1 ALA 32 1HB ALA 32 45.641 -1.245 -7.136 261 HB2 ALA 32 2HB ALA 32 45.326 -0.151 -8.482 262 HB3 ALA 32 3HB ALA 32 46.843 -1.048 -8.410 263 H LEU 33 H LEU 33 45.529 -3.965 -7.151 264 HA LEU 33 HA LEU 33 47.956 -5.112 -7.995 265 HB2 LEU 33 1HB LEU 33 46.953 -5.386 -5.726 266 HB3 LEU 33 2HB LEU 33 45.759 -6.478 -6.426 267 HG LEU 33 HG LEU 33 47.697 -7.863 -7.305 268 HD11 LEU 33 1HD1 LEU 33 49.521 -6.340 -7.229 269 HD12 LEU 33 2HD1 LEU 33 49.835 -7.484 -5.924 270 HD13 LEU 33 3HD1 LEU 33 49.175 -5.889 -5.560 271 HD21 LEU 33 1HD2 LEU 33 46.463 -8.586 -5.337 272 HD22 LEU 33 2HD2 LEU 33 47.374 -7.475 -4.314 273 HD23 LEU 33 3HD2 LEU 33 48.182 -8.858 -5.051 274 H TRP 34 H TRP 34 44.598 -5.937 -8.796 275 HA TRP 34 HA TRP 34 45.100 -8.279 -10.271 276 HB2 TRP 34 1HB TRP 34 42.853 -7.310 -9.637 277 HB3 TRP 34 2HB TRP 34 43.046 -6.186 -10.968 278 HD1 TRP 34 HD1 TRP 34 42.338 -9.826 -10.170 279 HE1 TRP 34 HE1 TRP 34 41.513 -11.010 -12.304 280 HE3 TRP 34 HE3 TRP 34 43.199 -6.149 -13.609 281 HZ2 TRP 34 HZ2 TRP 34 41.252 -10.471 -15.105 282 HZ3 TRP 34 HZ3 TRP 34 42.655 -6.510 -15.997 283 HH2 TRP 34 HH2 TRP 34 41.684 -8.662 -16.751 284 H ALA 35 H ALA 35 45.406 -4.877 -11.173 285 HA ALA 35 HA ALA 35 45.920 -5.235 -13.918 286 HB1 ALA 35 1HB ALA 35 46.628 -3.031 -13.935 287 HB2 ALA 35 2HB ALA 35 47.418 -3.163 -12.364 288 HB3 ALA 35 3HB ALA 35 45.661 -3.053 -12.460 289 H ALA 36 H ALA 36 48.099 -5.292 -11.122 290 HA ALA 36 HA ALA 36 50.483 -5.832 -12.525 291 HB1 ALA 36 1HB ALA 36 50.120 -5.276 -10.022 292 HB2 ALA 36 2HB ALA 36 51.423 -6.383 -10.455 293 HB3 ALA 36 3HB ALA 36 49.901 -7.015 -9.825 294 H ALA 37 H ALA 37 47.909 -7.982 -11.432 295 HA ALA 37 HA ALA 37 49.217 -10.428 -11.748 296 HB1 ALA 37 1HB ALA 37 46.283 -9.914 -12.245 297 HB2 ALA 37 2HB ALA 37 47.003 -10.066 -10.643 298 HB3 ALA 37 3HB ALA 37 47.033 -11.434 -11.756 299 H TRP 38 H TRP 38 47.541 -8.451 -14.162 300 HA TRP 38 HA TRP 38 47.474 -10.327 -16.212 301 HB2 TRP 38 1HB TRP 38 46.692 -8.673 -17.491 302 HB3 TRP 38 2HB TRP 38 46.604 -7.825 -15.975 303 HD1 TRP 38 HD1 TRP 38 49.670 -6.910 -15.808 304 HE1 TRP 38 HE1 TRP 38 50.507 -5.081 -17.418 305 HE3 TRP 38 HE3 TRP 38 46.124 -7.266 -19.462 306 HZ2 TRP 38 HZ2 TRP 38 49.768 -3.919 -19.929 307 HZ3 TRP 38 HZ3 TRP 38 46.213 -5.791 -21.447 308 HH2 TRP 38 HH2 TRP 38 48.026 -4.119 -21.688 309 H HIS 39 H HIS 39 50.241 -8.672 -14.961 310 HA HIS 39 HA HIS 39 51.967 -8.731 -17.154 311 HB2 HIS 39 1HB HIS 39 52.423 -7.578 -15.018 312 HB3 HIS 39 2HB HIS 39 52.655 -9.132 -14.243 313 HD1 HIS 39 HD1 HIS 39 54.905 -10.296 -14.580 314 HD2 HIS 39 HD2 HIS 39 54.516 -6.824 -16.855 315 HE1 HIS 39 HE1 HIS 39 57.199 -9.802 -15.530 316 H GLY 40 H GLY 40 53.380 -10.207 -17.980 317 HA2 GLY 40 1HA GLY 40 54.547 -12.174 -18.262 318 HA3 GLY 40 2HA GLY 40 54.064 -12.638 -16.636 319 H GLN 41 H GLN 41 53.983 -14.747 -17.826 320 HA GLN 41 HA GLN 41 52.080 -15.408 -19.755 321 HB2 GLN 41 1HB GLN 41 53.205 -17.080 -17.498 322 HB3 GLN 41 2HB GLN 41 52.290 -17.724 -18.863 323 HG2 GLN 41 1HG GLN 41 53.958 -16.872 -20.430 324 HG3 GLN 41 2HG GLN 41 54.852 -16.125 -19.109 325 HE21 GLN 41 1HE2 GLN 41 56.067 -18.072 -20.824 326 HE22 GLN 41 2HE2 GLN 41 56.384 -19.464 -19.907 327 H LYS 42 H LYS 42 49.988 -16.177 -19.674 328 HA LYS 42 HA LYS 42 48.214 -15.102 -17.825 329 HB2 LYS 42 1HB LYS 42 47.867 -17.548 -19.574 330 HB3 LYS 42 2HB LYS 42 46.557 -16.692 -18.761 331 HG2 LYS 42 1HG LYS 42 48.437 -15.156 -20.527 332 HG3 LYS 42 2HG LYS 42 47.147 -16.109 -21.260 333 HD2 LYS 42 1HD LYS 42 45.526 -14.936 -19.714 334 HD3 LYS 42 2HD LYS 42 46.849 -13.864 -19.250 335 HE2 LYS 42 1HE LYS 42 45.502 -12.854 -21.050 336 HE3 LYS 42 2HE LYS 42 47.138 -13.198 -21.611 337 HZ1 LYS 42 1HZ LYS 42 45.208 -13.896 -23.093 338 HZ2 LYS 42 2HZ LYS 42 44.945 -15.144 -21.971 339 HZ3 LYS 42 3HZ LYS 42 46.423 -15.045 -22.805 340 HA PRO 43 HA PRO 43 48.668 -17.561 -14.191 341 HB2 PRO 43 1HB PRO 43 45.708 -17.799 -13.991 342 HB3 PRO 43 2HB PRO 43 46.874 -17.159 -12.817 343 HG2 PRO 43 1HG PRO 43 45.265 -15.559 -14.208 344 HG3 PRO 43 2HG PRO 43 46.919 -15.087 -13.781 345 HD2 PRO 43 1HD PRO 43 45.841 -15.968 -16.424 346 HD3 PRO 43 2HD PRO 43 47.131 -14.801 -16.058 347 H GLY 44 H GLY 44 48.750 -19.702 -13.566 348 HA2 GLY 44 1HA GLY 44 48.772 -21.982 -13.855 349 HA3 GLY 44 2HA GLY 44 47.084 -21.797 -14.316 350 H THR 45 H THR 45 50.147 -20.794 -15.849 351 HA THR 45 HA THR 45 49.350 -21.272 -18.484 352 HB THR 45 HB THR 45 52.159 -21.489 -17.386 353 HG1 THR 45 HG1 THR 45 51.494 -19.529 -16.780 354 HG21 THR 45 1HG2 THR 45 52.024 -22.253 -19.675 355 HG22 THR 45 2HG2 THR 45 52.714 -20.630 -19.686 356 HG23 THR 45 3HG2 THR 45 51.022 -20.872 -20.125 357 H HIS 46 H HIS 46 50.461 -23.539 -16.054 358 HA HIS 46 HA HIS 46 50.183 -25.716 -18.037 359 HB2 HIS 46 1HB HIS 46 52.026 -26.900 -16.919 360 HB3 HIS 46 2HB HIS 46 52.552 -25.397 -17.653 361 HD1 HIS 46 HD1 HIS 46 53.038 -23.384 -15.978 362 HD2 HIS 46 HD2 HIS 46 52.436 -27.087 -14.162 363 HE1 HIS 46 HE1 HIS 46 53.892 -23.164 -13.607 Start of MODEL 16 1 H ARG 1 3H ARG 1 31.556 7.635 33.937 2 HA ARG 1 HA ARG 1 32.060 8.936 32.089 3 HB2 ARG 1 1HB ARG 1 34.733 8.416 33.423 4 HB3 ARG 1 2HB ARG 1 34.231 9.893 32.606 5 HG2 ARG 1 1HG ARG 1 32.852 8.775 35.063 6 HG3 ARG 1 2HG ARG 1 34.101 10.018 35.117 7 HD2 ARG 1 1HD ARG 1 31.482 10.254 33.606 8 HD3 ARG 1 2HD ARG 1 31.823 10.990 35.167 9 HE ARG 1 HE ARG 1 33.828 11.977 33.707 10 HH11 ARG 1 1HH1 ARG 1 30.419 11.730 32.907 11 HH12 ARG 1 2HH1 ARG 1 30.457 13.124 31.880 12 HH21 ARG 1 1HH2 ARG 1 33.813 13.767 32.375 13 HH22 ARG 1 2HH2 ARG 1 32.355 14.262 31.584 14 H SER 2 H SER 2 34.347 6.234 32.378 15 HA SER 2 HA SER 2 35.636 6.500 29.914 16 HB2 SER 2 1HB SER 2 36.349 4.948 31.718 17 HB3 SER 2 2HB SER 2 34.962 3.926 31.357 18 HG SER 2 HG SER 2 35.973 3.203 29.653 19 H LEU 3 H LEU 3 35.268 5.679 27.875 20 HA LEU 3 HA LEU 3 32.655 5.555 26.898 21 HB2 LEU 3 1HB LEU 3 34.714 5.981 25.553 22 HB3 LEU 3 2HB LEU 3 35.100 4.266 25.672 23 HG LEU 3 HG LEU 3 32.846 3.772 24.644 24 HD11 LEU 3 1HD1 LEU 3 32.857 6.778 24.525 25 HD12 LEU 3 2HD1 LEU 3 31.548 5.693 24.990 26 HD13 LEU 3 3HD1 LEU 3 32.002 5.851 23.293 27 HD21 LEU 3 1HD2 LEU 3 33.570 4.640 22.333 28 HD22 LEU 3 2HD2 LEU 3 34.728 3.624 23.193 29 HD23 LEU 3 3HD2 LEU 3 34.940 5.375 23.166 30 H LEU 4 H LEU 4 34.561 3.042 28.389 31 HA LEU 4 HA LEU 4 33.414 0.750 27.249 32 HB2 LEU 4 1HB LEU 4 34.421 1.129 30.076 33 HB3 LEU 4 2HB LEU 4 34.184 -0.415 29.259 34 HG LEU 4 HG LEU 4 36.062 1.767 28.306 35 HD11 LEU 4 1HD1 LEU 4 36.804 0.718 30.427 36 HD12 LEU 4 2HD1 LEU 4 37.853 0.269 29.082 37 HD13 LEU 4 3HD1 LEU 4 36.651 -0.873 29.683 38 HD21 LEU 4 1HD2 LEU 4 35.415 0.478 26.420 39 HD22 LEU 4 2HD2 LEU 4 35.389 -1.021 27.350 40 HD23 LEU 4 3HD2 LEU 4 36.928 -0.259 26.948 41 H GLU 5 H GLU 5 32.084 2.998 29.545 42 HA GLU 5 HA GLU 5 30.230 1.220 30.785 43 HB2 GLU 5 1HB GLU 5 30.218 4.233 30.550 44 HB3 GLU 5 2HB GLU 5 29.146 3.300 31.594 45 HG2 GLU 5 1HG GLU 5 32.174 3.262 31.722 46 HG3 GLU 5 2HG GLU 5 31.126 4.144 32.825 47 H GLY 6 H GLY 6 30.136 2.973 27.763 48 HA2 GLY 6 1HA GLY 6 28.664 2.697 26.006 49 HA3 GLY 6 2HA GLY 6 27.786 1.532 26.979 50 H GLU 7 H GLU 7 27.809 4.091 28.994 51 HA GLU 7 HA GLU 7 25.103 4.710 28.664 52 HB2 GLU 7 1HB GLU 7 27.295 6.339 29.963 53 HB3 GLU 7 2HB GLU 7 25.568 6.645 30.149 54 HG2 GLU 7 1HG GLU 7 26.974 4.061 30.882 55 HG3 GLU 7 2HG GLU 7 26.474 5.302 32.025 56 H ILE 8 H ILE 8 27.919 6.097 27.084 57 HA ILE 8 HA ILE 8 26.868 8.499 26.139 58 HB ILE 8 HB ILE 8 28.721 6.569 24.722 59 HG12 ILE 8 1HG1 ILE 8 29.561 7.134 26.945 60 HG13 ILE 8 2HG1 ILE 8 30.535 7.923 25.713 61 HG21 ILE 8 1HG2 ILE 8 29.531 8.498 23.492 62 HG22 ILE 8 2HG2 ILE 8 28.434 9.561 24.371 63 HG23 ILE 8 3HG2 ILE 8 27.789 8.352 23.262 64 HD11 ILE 8 1HD1 ILE 8 28.374 9.198 27.415 65 HD12 ILE 8 2HD1 ILE 8 29.170 10.013 26.069 66 HD13 ILE 8 3HD1 ILE 8 30.104 9.522 27.478 67 HA PRO 9 HA PRO 9 23.633 7.096 23.315 68 HB2 PRO 9 1HB PRO 9 23.955 9.024 21.315 69 HB3 PRO 9 2HB PRO 9 22.934 9.189 22.753 70 HG2 PRO 9 1HG PRO 9 25.674 10.220 22.259 71 HG3 PRO 9 2HG PRO 9 24.320 10.967 23.129 72 HD2 PRO 9 1HD PRO 9 26.360 9.868 24.478 73 HD3 PRO 9 2HD PRO 9 24.692 9.723 25.071 74 H PHE 10 H PHE 10 23.490 5.872 21.444 75 HA PHE 10 HA PHE 10 25.730 4.382 20.783 76 HB2 PHE 10 1HB PHE 10 23.089 4.624 19.389 77 HB3 PHE 10 2HB PHE 10 24.284 3.390 19.037 78 HD1 PHE 10 HD1 PHE 10 21.815 4.619 21.466 79 HD2 PHE 10 HD2 PHE 10 24.736 1.583 20.624 80 HE1 PHE 10 HE1 PHE 10 20.899 3.228 23.304 81 HE2 PHE 10 HE2 PHE 10 23.820 0.193 22.463 82 HZ PHE 10 HZ PHE 10 21.902 1.015 23.803 83 HA PRO 11 HA PRO 11 25.446 6.481 16.363 84 HB2 PRO 11 1HB PRO 11 26.203 9.247 17.145 85 HB3 PRO 11 2HB PRO 11 25.114 8.680 15.862 86 HG2 PRO 11 1HG PRO 11 24.140 9.719 18.083 87 HG3 PRO 11 2HG PRO 11 23.365 8.314 17.322 88 HD2 PRO 11 1HD PRO 11 25.156 8.395 19.728 89 HD3 PRO 11 2HD PRO 11 23.689 7.426 19.453 90 HA PRO 12 HA PRO 12 30.108 7.889 16.907 91 HB2 PRO 12 1HB PRO 12 30.672 6.394 19.423 92 HB3 PRO 12 2HB PRO 12 31.347 7.932 18.848 93 HG2 PRO 12 1HG PRO 12 29.566 7.884 20.801 94 HG3 PRO 12 2HG PRO 12 29.526 9.153 19.560 95 HD2 PRO 12 1HD PRO 12 27.781 6.729 19.822 96 HD3 PRO 12 2HD PRO 12 27.340 8.379 19.320 97 H THR 13 H THR 13 28.694 4.845 18.081 98 HA THR 13 HA THR 13 30.624 3.074 17.049 99 HB THR 13 HB THR 13 28.835 1.399 17.050 100 HG1 THR 13 HG1 THR 13 27.203 2.757 16.207 101 HG21 THR 13 1HG2 THR 13 28.721 3.338 19.377 102 HG22 THR 13 2HG2 THR 13 29.840 1.986 19.196 103 HG23 THR 13 3HG2 THR 13 28.117 1.681 19.418 104 H SER 14 H SER 14 27.887 4.705 15.459 105 HA SER 14 HA SER 14 28.120 3.465 12.947 106 HB2 SER 14 1HB SER 14 26.277 5.018 13.632 107 HB3 SER 14 2HB SER 14 27.408 6.359 13.477 108 HG SER 14 HG SER 14 26.989 6.302 11.423 109 H ILE 15 H ILE 15 29.867 6.221 14.364 110 HA ILE 15 HA ILE 15 31.303 6.953 12.053 111 HB ILE 15 HB ILE 15 32.264 7.111 14.922 112 HG12 ILE 15 1HG1 ILE 15 30.792 9.176 13.256 113 HG13 ILE 15 2HG1 ILE 15 30.020 8.168 14.480 114 HG21 ILE 15 1HG2 ILE 15 33.016 8.712 12.457 115 HG22 ILE 15 2HG2 ILE 15 34.023 7.472 13.207 116 HG23 ILE 15 3HG2 ILE 15 33.651 8.956 14.085 117 HD11 ILE 15 1HD1 ILE 15 31.741 9.056 16.130 118 HD12 ILE 15 2HD1 ILE 15 30.560 10.236 15.560 119 HD13 ILE 15 3HD1 ILE 15 32.193 10.232 14.894 120 H LEU 16 H LEU 16 31.939 4.431 14.474 121 HA LEU 16 HA LEU 16 34.455 3.636 13.468 122 HB2 LEU 16 1HB LEU 16 32.318 2.208 15.015 123 HB3 LEU 16 2HB LEU 16 33.659 1.291 14.351 124 HG LEU 16 HG LEU 16 34.032 2.004 16.702 125 HD11 LEU 16 1HD1 LEU 16 35.872 1.736 14.900 126 HD12 LEU 16 2HD1 LEU 16 36.294 2.536 16.414 127 HD13 LEU 16 3HD1 LEU 16 35.983 3.495 14.966 128 HD21 LEU 16 1HD2 LEU 16 34.095 4.807 15.545 129 HD22 LEU 16 2HD2 LEU 16 34.470 4.362 17.209 130 HD23 LEU 16 3HD2 LEU 16 32.830 4.167 16.593 131 H LEU 17 H LEU 17 31.168 2.821 12.412 132 HA LEU 17 HA LEU 17 31.871 0.895 10.486 133 HB2 LEU 17 1HB LEU 17 29.520 1.518 11.150 134 HB3 LEU 17 2HB LEU 17 29.684 2.950 10.132 135 HG LEU 17 HG LEU 17 30.339 1.383 8.237 136 HD11 LEU 17 1HD1 LEU 17 29.262 -0.970 8.687 137 HD12 LEU 17 2HD1 LEU 17 29.549 -0.573 10.381 138 HD13 LEU 17 3HD1 LEU 17 30.901 -0.649 9.251 139 HD21 LEU 17 1HD2 LEU 17 27.981 0.763 7.779 140 HD22 LEU 17 2HD2 LEU 17 28.104 2.410 8.397 141 HD23 LEU 17 3HD2 LEU 17 27.572 1.107 9.459 142 H LEU 18 H LEU 18 31.980 4.434 10.337 143 HA LEU 18 HA LEU 18 32.634 4.683 7.608 144 HB2 LEU 18 1HB LEU 18 32.118 6.590 9.166 145 HB3 LEU 18 2HB LEU 18 33.743 6.409 9.827 146 HG LEU 18 HG LEU 18 34.620 6.639 7.458 147 HD11 LEU 18 1HD1 LEU 18 31.694 7.231 7.043 148 HD12 LEU 18 2HD1 LEU 18 32.758 6.202 6.083 149 HD13 LEU 18 3HD1 LEU 18 32.916 7.956 5.997 150 HD21 LEU 18 1HD2 LEU 18 33.034 9.002 8.512 151 HD22 LEU 18 2HD2 LEU 18 34.473 9.068 7.496 152 HD23 LEU 18 3HD2 LEU 18 34.593 8.490 9.157 153 H LEU 19 H LEU 19 34.671 3.953 10.420 154 HA LEU 19 HA LEU 19 37.151 3.865 9.079 155 HB2 LEU 19 1HB LEU 19 36.758 3.611 11.577 156 HB3 LEU 19 2HB LEU 19 36.340 1.930 11.248 157 HG LEU 19 HG LEU 19 38.583 1.792 9.998 158 HD11 LEU 19 1HD1 LEU 19 40.274 3.435 10.918 159 HD12 LEU 19 2HD1 LEU 19 38.922 4.373 11.551 160 HD13 LEU 19 3HD1 LEU 19 39.099 4.143 9.812 161 HD21 LEU 19 1HD2 LEU 19 38.389 2.180 12.997 162 HD22 LEU 19 2HD2 LEU 19 39.828 1.543 12.200 163 HD23 LEU 19 3HD2 LEU 19 38.304 0.661 12.106 164 H ALA 20 H ALA 20 34.539 1.487 9.255 165 HA ALA 20 HA ALA 20 35.796 -0.594 7.834 166 HB1 ALA 20 1HB ALA 20 33.416 -0.420 8.976 167 HB2 ALA 20 2HB ALA 20 33.706 -1.548 7.652 168 HB3 ALA 20 3HB ALA 20 32.911 -0.005 7.337 169 H CYS 21 H CYS 21 34.229 2.366 6.705 170 HA CYS 21 HA CYS 21 34.053 1.667 3.976 171 HB2 CYS 21 1HB CYS 21 34.426 4.426 5.162 172 HB3 CYS 21 2HB CYS 21 33.819 4.057 3.550 173 HG CYS 21 HG CYS 21 31.866 2.674 4.967 174 H ILE 22 H ILE 22 36.610 3.390 5.784 175 HA ILE 22 HA ILE 22 38.255 3.777 3.510 176 HB ILE 22 HB ILE 22 40.116 4.186 5.025 177 HG12 ILE 22 1HG1 ILE 22 38.311 3.596 7.353 178 HG13 ILE 22 2HG1 ILE 22 39.319 2.319 6.669 179 HG21 ILE 22 1HG2 ILE 22 38.637 6.029 4.708 180 HG22 ILE 22 2HG2 ILE 22 38.944 5.949 6.443 181 HG23 ILE 22 3HG2 ILE 22 37.426 5.334 5.786 182 HD11 ILE 22 1HD1 ILE 22 41.277 3.951 6.902 183 HD12 ILE 22 2HD1 ILE 22 40.626 3.297 8.405 184 HD13 ILE 22 3HD1 ILE 22 40.204 4.933 7.899 185 H PHE 23 H PHE 23 37.924 1.000 5.690 186 HA PHE 23 HA PHE 23 40.055 -0.516 4.678 187 HB2 PHE 23 1HB PHE 23 38.594 -1.163 6.600 188 HB3 PHE 23 2HB PHE 23 37.343 -1.589 5.448 189 HD1 PHE 23 HD1 PHE 23 40.700 -2.457 6.726 190 HD2 PHE 23 HD2 PHE 23 37.456 -3.626 4.166 191 HE1 PHE 23 HE1 PHE 23 41.693 -4.719 6.501 192 HE2 PHE 23 HE2 PHE 23 38.448 -5.887 3.940 193 HZ PHE 23 HZ PHE 23 40.566 -6.435 5.108 194 H LEU 24 H LEU 24 36.790 -0.016 3.333 195 HA LEU 24 HA LEU 24 37.017 -1.780 1.171 196 HB2 LEU 24 1HB LEU 24 35.633 0.909 1.109 197 HB3 LEU 24 2HB LEU 24 35.334 -0.457 0.043 198 HG LEU 24 HG LEU 24 34.930 -0.503 3.049 199 HD11 LEU 24 1HD1 LEU 24 32.932 -0.345 0.770 200 HD12 LEU 24 2HD1 LEU 24 33.295 0.948 1.913 201 HD13 LEU 24 3HD1 LEU 24 32.523 -0.535 2.476 202 HD21 LEU 24 1HD2 LEU 24 34.591 -2.510 0.828 203 HD22 LEU 24 2HD2 LEU 24 33.577 -2.605 2.267 204 HD23 LEU 24 3HD2 LEU 24 35.330 -2.730 2.414 205 H ILE 25 H ILE 25 38.253 1.543 1.508 206 HA ILE 25 HA ILE 25 39.304 1.798 -1.081 207 HB ILE 25 HB ILE 25 40.651 2.791 1.437 208 HG12 ILE 25 1HG1 ILE 25 38.304 3.497 1.430 209 HG13 ILE 25 2HG1 ILE 25 39.348 4.866 1.073 210 HG21 ILE 25 1HG2 ILE 25 41.384 4.611 -0.144 211 HG22 ILE 25 2HG2 ILE 25 40.746 3.631 -1.464 212 HG23 ILE 25 3HG2 ILE 25 42.075 3.023 -0.478 213 HD11 ILE 25 1HD1 ILE 25 37.242 3.673 -0.548 214 HD12 ILE 25 2HD1 ILE 25 38.749 3.788 -1.451 215 HD13 ILE 25 3HD1 ILE 25 38.041 5.230 -0.730 216 H ALA 26 H ALA 26 40.603 0.041 1.718 217 HA ALA 26 HA ALA 26 43.059 -0.718 0.603 218 HB1 ALA 26 1HB ALA 26 41.473 -2.719 2.166 219 HB2 ALA 26 2HB ALA 26 41.965 -1.221 2.956 220 HB3 ALA 26 3HB ALA 26 43.184 -2.304 2.285 221 H ILE 27 H ILE 27 39.835 -2.187 0.226 222 HA ILE 27 HA ILE 27 40.620 -4.331 -1.421 223 HB ILE 27 HB ILE 27 38.008 -2.797 -1.512 224 HG12 ILE 27 1HG1 ILE 27 38.763 -5.307 0.015 225 HG13 ILE 27 2HG1 ILE 27 38.678 -3.705 0.738 226 HG21 ILE 27 1HG2 ILE 27 38.645 -5.649 -2.329 227 HG22 ILE 27 2HG2 ILE 27 38.475 -4.312 -3.466 228 HG23 ILE 27 3HG2 ILE 27 37.095 -4.825 -2.496 229 HD11 ILE 27 1HD1 ILE 27 36.237 -4.441 -0.757 230 HD12 ILE 27 2HD1 ILE 27 36.415 -3.763 0.858 231 HD13 ILE 27 3HD1 ILE 27 36.589 -5.495 0.609 232 H LEU 28 H LEU 28 39.987 -0.930 -2.201 233 HA LEU 28 HA LEU 28 40.147 -1.143 -5.008 234 HB2 LEU 28 1HB LEU 28 39.541 0.942 -3.711 235 HB3 LEU 28 2HB LEU 28 41.264 1.160 -3.407 236 HG LEU 28 HG LEU 28 41.601 0.989 -5.928 237 HD11 LEU 28 1HD1 LEU 28 39.420 1.772 -7.132 238 HD12 LEU 28 2HD1 LEU 28 38.598 1.092 -5.727 239 HD13 LEU 28 3HD1 LEU 28 39.603 0.061 -6.746 240 HD21 LEU 28 1HD2 LEU 28 41.815 3.142 -4.937 241 HD22 LEU 28 2HD2 LEU 28 40.085 3.248 -4.609 242 HD23 LEU 28 3HD2 LEU 28 40.677 3.369 -6.265 243 H ALA 29 H ALA 29 42.695 -1.008 -2.551 244 HA ALA 29 HA ALA 29 44.917 -0.947 -4.279 245 HB1 ALA 29 1HB ALA 29 44.781 -0.912 -1.663 246 HB2 ALA 29 2HB ALA 29 46.195 -1.613 -2.451 247 HB3 ALA 29 3HB ALA 29 44.926 -2.663 -1.818 248 H ALA 30 H ALA 30 42.881 -3.641 -3.213 249 HA ALA 30 HA ALA 30 44.334 -5.739 -4.395 250 HB1 ALA 30 1HB ALA 30 42.425 -7.063 -4.091 251 HB2 ALA 30 2HB ALA 30 41.328 -5.706 -4.342 252 HB3 ALA 30 3HB ALA 30 42.257 -5.825 -2.847 253 H SER 31 H SER 31 41.869 -3.576 -5.767 254 HA SER 31 HA SER 31 41.722 -4.774 -8.306 255 HB2 SER 31 1HB SER 31 40.637 -2.840 -9.050 256 HB3 SER 31 2HB SER 31 40.301 -2.849 -7.324 257 HG SER 31 HG SER 31 41.339 -0.911 -8.645 258 H ALA 32 H ALA 32 44.072 -2.451 -7.006 259 HA ALA 32 HA ALA 32 45.504 -1.988 -9.379 260 HB1 ALA 32 1HB ALA 32 46.917 -2.311 -6.751 261 HB2 ALA 32 2HB ALA 32 45.794 -0.971 -6.986 262 HB3 ALA 32 3HB ALA 32 47.205 -1.134 -8.033 263 H LEU 33 H LEU 33 45.697 -4.640 -7.026 264 HA LEU 33 HA LEU 33 47.940 -5.950 -8.117 265 HB2 LEU 33 1HB LEU 33 46.866 -6.519 -5.936 266 HB3 LEU 33 2HB LEU 33 45.537 -7.259 -6.827 267 HG LEU 33 HG LEU 33 47.275 -8.706 -7.992 268 HD11 LEU 33 1HD1 LEU 33 49.316 -7.586 -7.630 269 HD12 LEU 33 2HD1 LEU 33 49.390 -8.936 -6.496 270 HD13 LEU 33 3HD1 LEU 33 48.972 -7.322 -5.921 271 HD21 LEU 33 1HD2 LEU 33 46.829 -8.868 -5.001 272 HD22 LEU 33 2HD2 LEU 33 47.595 -10.161 -5.924 273 HD23 LEU 33 3HD2 LEU 33 45.927 -9.697 -6.270 274 H TRP 34 H TRP 34 44.495 -6.134 -8.985 275 HA TRP 34 HA TRP 34 44.747 -8.112 -10.981 276 HB2 TRP 34 1HB TRP 34 42.822 -5.840 -10.634 277 HB3 TRP 34 2HB TRP 34 42.775 -6.849 -12.064 278 HD1 TRP 34 HD1 TRP 34 41.746 -6.714 -8.477 279 HE1 TRP 34 HE1 TRP 34 40.520 -8.889 -7.838 280 HE3 TRP 34 HE3 TRP 34 42.783 -9.552 -12.593 281 HZ2 TRP 34 HZ2 TRP 34 40.042 -11.494 -8.930 282 HZ3 TRP 34 HZ3 TRP 34 41.933 -11.870 -12.769 283 HH2 TRP 34 HH2 TRP 34 40.565 -12.846 -10.947 284 H ALA 35 H ALA 35 45.475 -4.665 -11.058 285 HA ALA 35 HA ALA 35 45.930 -4.391 -13.818 286 HB1 ALA 35 1HB ALA 35 47.733 -3.050 -11.834 287 HB2 ALA 35 2HB ALA 35 46.019 -2.633 -11.869 288 HB3 ALA 35 3HB ALA 35 47.013 -2.400 -13.307 289 H ALA 36 H ALA 36 48.054 -5.562 -11.233 290 HA ALA 36 HA ALA 36 50.325 -6.110 -12.809 291 HB1 ALA 36 1HB ALA 36 51.104 -7.367 -11.015 292 HB2 ALA 36 2HB ALA 36 49.495 -7.956 -10.597 293 HB3 ALA 36 3HB ALA 36 49.948 -6.292 -10.227 294 H ALA 37 H ALA 37 47.401 -8.028 -12.234 295 HA ALA 37 HA ALA 37 48.111 -10.350 -13.615 296 HB1 ALA 37 1HB ALA 37 45.335 -9.237 -13.811 297 HB2 ALA 37 2HB ALA 37 45.971 -9.750 -12.248 298 HB3 ALA 37 3HB ALA 37 45.855 -10.906 -13.575 299 H TRP 38 H TRP 38 47.020 -7.248 -14.871 300 HA TRP 38 HA TRP 38 46.430 -7.921 -17.490 301 HB2 TRP 38 1HB TRP 38 46.242 -5.662 -16.348 302 HB3 TRP 38 2HB TRP 38 47.940 -5.435 -16.722 303 HD1 TRP 38 HD1 TRP 38 44.501 -5.269 -18.197 304 HE1 TRP 38 HE1 TRP 38 44.639 -4.484 -20.648 305 HE3 TRP 38 HE3 TRP 38 49.544 -5.578 -18.940 306 HZ2 TRP 38 HZ2 TRP 38 46.628 -4.045 -22.661 307 HZ3 TRP 38 HZ3 TRP 38 50.531 -4.974 -21.128 308 HH2 TRP 38 HH2 TRP 38 49.084 -4.209 -22.988 309 H HIS 39 H HIS 39 49.576 -7.879 -15.976 310 HA HIS 39 HA HIS 39 51.230 -7.413 -18.173 311 HB2 HIS 39 1HB HIS 39 52.002 -7.561 -15.841 312 HB3 HIS 39 2HB HIS 39 51.710 -9.289 -15.861 313 HD1 HIS 39 HD1 HIS 39 53.735 -6.777 -17.914 314 HD2 HIS 39 HD2 HIS 39 53.999 -10.681 -16.476 315 HE1 HIS 39 HE1 HIS 39 56.018 -7.636 -18.591 316 H GLY 40 H GLY 40 49.348 -10.264 -17.411 317 HA2 GLY 40 1HA GLY 40 48.953 -12.174 -18.626 318 HA3 GLY 40 2HA GLY 40 49.706 -11.363 -19.995 319 H GLN 41 H GLN 41 49.905 -14.149 -18.968 320 HA GLN 41 HA GLN 41 52.343 -14.685 -17.719 321 HB2 GLN 41 1HB GLN 41 50.883 -16.353 -19.776 322 HB3 GLN 41 2HB GLN 41 52.132 -16.936 -18.679 323 HG2 GLN 41 1HG GLN 41 49.459 -15.762 -17.861 324 HG3 GLN 41 2HG GLN 41 49.900 -17.465 -17.800 325 HE21 GLN 41 1HE2 GLN 41 49.410 -15.045 -15.721 326 HE22 GLN 41 2HE2 GLN 41 50.622 -15.351 -14.572 327 H LYS 42 H LYS 42 51.763 -13.666 -21.006 328 HA LYS 42 HA LYS 42 53.834 -14.937 -22.339 329 HB2 LYS 42 1HB LYS 42 52.612 -12.212 -22.788 330 HB3 LYS 42 2HB LYS 42 53.745 -12.966 -23.911 331 HG2 LYS 42 1HG LYS 42 52.111 -15.015 -23.758 332 HG3 LYS 42 2HG LYS 42 50.951 -13.810 -23.197 333 HD2 LYS 42 1HD LYS 42 51.096 -12.567 -25.213 334 HD3 LYS 42 2HD LYS 42 52.571 -13.397 -25.713 335 HE2 LYS 42 1HE LYS 42 51.101 -15.549 -25.649 336 HE3 LYS 42 2HE LYS 42 49.742 -14.427 -25.705 337 HZ1 LYS 42 1HZ LYS 42 51.962 -14.615 -27.666 338 HZ2 LYS 42 2HZ LYS 42 50.749 -13.427 -27.694 339 HZ3 LYS 42 3HZ LYS 42 50.345 -15.061 -27.923 340 HA PRO 43 HA PRO 43 57.530 -13.175 -20.579 341 HB2 PRO 43 1HB PRO 43 58.717 -13.052 -23.299 342 HB3 PRO 43 2HB PRO 43 59.293 -13.890 -21.845 343 HG2 PRO 43 1HG PRO 43 58.228 -15.205 -23.905 344 HG3 PRO 43 2HG PRO 43 58.000 -15.733 -22.228 345 HD2 PRO 43 1HD PRO 43 56.068 -14.342 -24.039 346 HD3 PRO 43 2HD PRO 43 55.769 -15.573 -22.791 347 H GLY 44 H GLY 44 55.919 -11.607 -23.247 348 HA2 GLY 44 1HA GLY 44 57.559 -9.393 -23.669 349 HA3 GLY 44 2HA GLY 44 55.821 -9.413 -23.938 350 H THR 45 H THR 45 57.797 -7.429 -22.738 351 HA THR 45 HA THR 45 57.304 -7.044 -20.012 352 HB THR 45 HB THR 45 57.713 -4.888 -22.092 353 HG1 THR 45 HG1 THR 45 59.625 -6.332 -20.580 354 HG21 THR 45 1HG2 THR 45 57.137 -3.891 -20.006 355 HG22 THR 45 2HG2 THR 45 58.898 -3.830 -20.083 356 HG23 THR 45 3HG2 THR 45 58.101 -5.058 -19.100 357 H HIS 46 H HIS 46 55.214 -6.437 -22.748 358 HA HIS 46 HA HIS 46 53.194 -5.308 -20.915 359 HB2 HIS 46 1HB HIS 46 54.386 -3.518 -22.239 360 HB3 HIS 46 2HB HIS 46 53.732 -4.251 -23.689 361 HD1 HIS 46 HD1 HIS 46 52.421 -2.839 -20.394 362 HD2 HIS 46 HD2 HIS 46 51.304 -3.158 -24.398 363 HE1 HIS 46 HE1 HIS 46 50.249 -1.561 -20.635 Start of MODEL 17 1 H ARG 1 3H ARG 1 32.191 7.130 31.589 2 HA ARG 1 HA ARG 1 32.094 4.168 31.659 3 HB2 ARG 1 1HB ARG 1 31.239 6.341 33.593 4 HB3 ARG 1 2HB ARG 1 30.918 4.619 33.816 5 HG2 ARG 1 1HG ARG 1 33.379 4.193 33.687 6 HG3 ARG 1 2HG ARG 1 33.642 5.935 33.620 7 HD2 ARG 1 1HD ARG 1 32.319 4.410 35.882 8 HD3 ARG 1 2HD ARG 1 33.914 5.146 35.914 9 HE ARG 1 HE ARG 1 32.917 7.269 36.060 10 HH11 ARG 1 1HH1 ARG 1 30.435 4.803 35.693 11 HH12 ARG 1 2HH1 ARG 1 29.173 5.865 36.216 12 HH21 ARG 1 1HH2 ARG 1 31.244 8.580 36.717 13 HH22 ARG 1 2HH2 ARG 1 29.623 7.972 36.784 14 H SER 2 H SER 2 29.941 6.984 32.122 15 HA SER 2 HA SER 2 27.576 5.713 31.344 16 HB2 SER 2 1HB SER 2 27.709 7.902 32.517 17 HB3 SER 2 2HB SER 2 28.251 8.640 31.014 18 HG SER 2 HG SER 2 26.143 8.865 30.789 19 H LEU 3 H LEU 3 30.135 7.032 29.358 20 HA LEU 3 HA LEU 3 28.763 7.514 26.972 21 HB2 LEU 3 1HB LEU 3 31.573 6.447 27.311 22 HB3 LEU 3 2HB LEU 3 30.928 7.224 25.867 23 HG LEU 3 HG LEU 3 31.106 8.538 28.596 24 HD11 LEU 3 1HD1 LEU 3 33.340 8.319 27.809 25 HD12 LEU 3 2HD1 LEU 3 32.851 9.947 27.338 26 HD13 LEU 3 3HD1 LEU 3 32.867 8.651 26.142 27 HD21 LEU 3 1HD2 LEU 3 29.320 9.529 27.343 28 HD22 LEU 3 2HD2 LEU 3 30.257 9.491 25.850 29 HD23 LEU 3 3HD2 LEU 3 30.703 10.605 27.143 30 H LEU 4 H LEU 4 29.529 4.463 28.456 31 HA LEU 4 HA LEU 4 29.676 2.787 26.216 32 HB2 LEU 4 1HB LEU 4 30.222 2.133 28.553 33 HB3 LEU 4 2HB LEU 4 28.497 2.125 28.919 34 HG LEU 4 HG LEU 4 28.192 0.450 27.057 35 HD11 LEU 4 1HD1 LEU 4 30.088 0.709 25.683 36 HD12 LEU 4 2HD1 LEU 4 30.426 -0.790 26.550 37 HD13 LEU 4 3HD1 LEU 4 31.195 0.714 27.057 38 HD21 LEU 4 1HD2 LEU 4 29.233 -1.440 28.370 39 HD22 LEU 4 2HD2 LEU 4 28.256 -0.340 29.341 40 HD23 LEU 4 3HD2 LEU 4 30.016 -0.226 29.381 41 H GLU 5 H GLU 5 26.920 4.358 27.652 42 HA GLU 5 HA GLU 5 24.922 2.545 26.728 43 HB2 GLU 5 1HB GLU 5 24.631 4.178 28.594 44 HB3 GLU 5 2HB GLU 5 24.601 5.473 27.397 45 HG2 GLU 5 1HG GLU 5 22.672 4.364 26.286 46 HG3 GLU 5 2HG GLU 5 22.678 3.135 27.543 47 H GLY 6 H GLY 6 26.644 5.139 25.147 48 HA2 GLY 6 1HA GLY 6 26.696 5.675 22.902 49 HA3 GLY 6 2HA GLY 6 25.539 4.388 22.613 50 H GLU 7 H GLU 7 24.031 6.184 24.911 51 HA GLU 7 HA GLU 7 22.067 7.209 23.211 52 HB2 GLU 7 1HB GLU 7 21.823 6.828 25.665 53 HB3 GLU 7 2HB GLU 7 22.797 8.271 25.946 54 HG2 GLU 7 1HG GLU 7 21.155 9.596 24.622 55 HG3 GLU 7 2HG GLU 7 20.161 8.155 24.455 56 H ILE 8 H ILE 8 25.143 8.619 24.131 57 HA ILE 8 HA ILE 8 24.626 11.318 23.716 58 HB ILE 8 HB ILE 8 26.712 10.439 24.665 59 HG12 ILE 8 1HG1 ILE 8 27.186 12.032 22.126 60 HG13 ILE 8 2HG1 ILE 8 26.659 12.707 23.667 61 HG21 ILE 8 1HG2 ILE 8 28.402 9.396 23.264 62 HG22 ILE 8 2HG2 ILE 8 27.390 9.596 21.833 63 HG23 ILE 8 3HG2 ILE 8 26.898 8.488 23.114 64 HD11 ILE 8 1HD1 ILE 8 29.047 13.017 23.522 65 HD12 ILE 8 2HD1 ILE 8 29.290 11.324 23.090 66 HD13 ILE 8 3HD1 ILE 8 28.744 11.752 24.712 67 HA PRO 9 HA PRO 9 23.760 11.520 19.309 68 HB2 PRO 9 1HB PRO 9 25.312 14.059 19.266 69 HB3 PRO 9 2HB PRO 9 23.647 13.741 18.740 70 HG2 PRO 9 1HG PRO 9 24.141 15.067 20.979 71 HG3 PRO 9 2HG PRO 9 22.796 13.917 20.868 72 HD2 PRO 9 1HD PRO 9 25.461 13.567 22.188 73 HD3 PRO 9 2HD PRO 9 23.862 12.993 22.712 74 H PHE 10 H PHE 10 24.766 10.971 17.398 75 HA PHE 10 HA PHE 10 26.402 10.009 16.102 76 HB2 PHE 10 1HB PHE 10 26.550 12.499 15.769 77 HB3 PHE 10 2HB PHE 10 27.906 12.500 16.881 78 HD1 PHE 10 HD1 PHE 10 26.964 10.121 14.140 79 HD2 PHE 10 HD2 PHE 10 29.820 12.963 15.629 80 HE1 PHE 10 HE1 PHE 10 28.486 9.579 12.257 81 HE2 PHE 10 HE2 PHE 10 31.340 12.422 13.746 82 HZ PHE 10 HZ PHE 10 30.674 10.731 12.060 83 HA PRO 11 HA PRO 11 28.816 8.721 19.979 84 HB2 PRO 11 1HB PRO 11 28.456 5.977 19.536 85 HB3 PRO 11 2HB PRO 11 27.512 6.982 20.648 86 HG2 PRO 11 1HG PRO 11 26.861 6.090 17.897 87 HG3 PRO 11 2HG PRO 11 25.802 6.299 19.303 88 HD2 PRO 11 1HD PRO 11 25.839 8.105 17.300 89 HD3 PRO 11 2HD PRO 11 25.603 8.599 18.993 90 HA PRO 12 HA PRO 12 32.458 8.103 17.483 91 HB2 PRO 12 1HB PRO 12 33.564 6.369 19.629 92 HB3 PRO 12 2HB PRO 12 34.233 7.847 18.911 93 HG2 PRO 12 1HG PRO 12 33.193 7.822 21.365 94 HG3 PRO 12 2HG PRO 12 33.036 9.224 20.290 95 HD2 PRO 12 1HD PRO 12 30.982 7.173 21.012 96 HD3 PRO 12 2HD PRO 12 30.781 8.909 20.684 97 H THR 13 H THR 13 30.862 5.312 18.975 98 HA THR 13 HA THR 13 32.128 3.266 17.520 99 HB THR 13 HB THR 13 30.123 1.934 17.977 100 HG1 THR 13 HG1 THR 13 28.302 2.934 18.045 101 HG21 THR 13 1HG2 THR 13 30.887 3.791 20.248 102 HG22 THR 13 2HG2 THR 13 31.710 2.293 19.809 103 HG23 THR 13 3HG2 THR 13 30.062 2.243 20.436 104 H SER 14 H SER 14 29.411 5.399 16.629 105 HA SER 14 HA SER 14 28.824 4.209 14.143 106 HB2 SER 14 1HB SER 14 28.714 7.150 14.862 107 HB3 SER 14 2HB SER 14 27.881 6.375 13.520 108 HG SER 14 HG SER 14 27.569 5.488 16.185 109 H ILE 15 H ILE 15 31.238 6.648 15.074 110 HA ILE 15 HA ILE 15 32.249 7.138 12.484 111 HB ILE 15 HB ILE 15 33.821 7.155 15.075 112 HG12 ILE 15 1HG1 ILE 15 32.358 9.419 13.684 113 HG13 ILE 15 2HG1 ILE 15 31.718 8.550 15.079 114 HG21 ILE 15 1HG2 ILE 15 34.253 8.643 12.469 115 HG22 ILE 15 2HG2 ILE 15 35.168 7.221 12.973 116 HG23 ILE 15 3HG2 ILE 15 35.279 8.717 13.902 117 HD11 ILE 15 1HD1 ILE 15 32.783 10.469 15.992 118 HD12 ILE 15 2HD1 ILE 15 34.186 10.287 14.939 119 HD13 ILE 15 3HD1 ILE 15 33.920 9.147 16.258 120 H LEU 16 H LEU 16 32.908 4.505 14.763 121 HA LEU 16 HA LEU 16 35.081 3.350 13.384 122 HB2 LEU 16 1HB LEU 16 32.919 1.869 14.897 123 HB3 LEU 16 2HB LEU 16 34.527 1.271 14.508 124 HG LEU 16 HG LEU 16 33.963 3.703 16.231 125 HD11 LEU 16 1HD1 LEU 16 33.311 1.455 17.209 126 HD12 LEU 16 2HD1 LEU 16 34.550 2.324 18.115 127 HD13 LEU 16 3HD1 LEU 16 35.003 0.983 17.065 128 HD21 LEU 16 1HD2 LEU 16 36.451 3.220 16.814 129 HD22 LEU 16 2HD2 LEU 16 36.103 4.013 15.278 130 HD23 LEU 16 3HD2 LEU 16 36.468 2.288 15.317 131 H LEU 17 H LEU 17 31.579 3.082 12.848 132 HA LEU 17 HA LEU 17 31.658 1.144 10.810 133 HB2 LEU 17 1HB LEU 17 29.571 2.068 11.836 134 HB3 LEU 17 2HB LEU 17 29.813 3.541 10.896 135 HG LEU 17 HG LEU 17 29.888 2.069 8.824 136 HD11 LEU 17 1HD1 LEU 17 30.278 -0.104 9.615 137 HD12 LEU 17 2HD1 LEU 17 28.546 -0.131 9.281 138 HD13 LEU 17 3HD1 LEU 17 29.122 0.066 10.936 139 HD21 LEU 17 1HD2 LEU 17 27.514 2.074 8.601 140 HD22 LEU 17 2HD2 LEU 17 27.877 3.398 9.709 141 HD23 LEU 17 3HD2 LEU 17 27.277 1.863 10.336 142 H LEU 18 H LEU 18 32.269 4.637 10.687 143 HA LEU 18 HA LEU 18 32.584 4.860 7.891 144 HB2 LEU 18 1HB LEU 18 32.556 6.777 9.538 145 HB3 LEU 18 2HB LEU 18 34.231 6.375 9.918 146 HG LEU 18 HG LEU 18 34.718 6.542 7.430 147 HD11 LEU 18 1HD1 LEU 18 32.588 6.394 6.418 148 HD12 LEU 18 2HD1 LEU 18 33.000 8.103 6.275 149 HD13 LEU 18 3HD1 LEU 18 31.882 7.566 7.530 150 HD21 LEU 18 1HD2 LEU 18 34.587 9.103 7.492 151 HD22 LEU 18 2HD2 LEU 18 35.451 8.336 8.824 152 HD23 LEU 18 3HD2 LEU 18 33.804 8.920 9.062 153 H LEU 19 H LEU 19 34.841 3.753 10.392 154 HA LEU 19 HA LEU 19 37.109 3.472 8.741 155 HB2 LEU 19 1HB LEU 19 36.356 1.600 10.994 156 HB3 LEU 19 2HB LEU 19 37.960 1.874 10.329 157 HG LEU 19 HG LEU 19 36.280 4.002 11.684 158 HD11 LEU 19 1HD1 LEU 19 38.824 2.792 12.755 159 HD12 LEU 19 2HD1 LEU 19 37.266 2.032 13.079 160 HD13 LEU 19 3HD1 LEU 19 37.572 3.681 13.624 161 HD21 LEU 19 1HD2 LEU 19 37.729 5.150 10.236 162 HD22 LEU 19 2HD2 LEU 19 39.002 3.940 10.396 163 HD23 LEU 19 3HD2 LEU 19 38.681 5.061 11.718 164 H ALA 20 H ALA 20 34.279 1.401 9.127 165 HA ALA 20 HA ALA 20 35.158 -0.786 7.587 166 HB1 ALA 20 1HB ALA 20 32.939 -1.462 7.518 167 HB2 ALA 20 2HB ALA 20 32.332 0.188 7.373 168 HB3 ALA 20 3HB ALA 20 32.931 -0.398 8.925 169 H CYS 21 H CYS 21 33.729 2.311 6.614 170 HA CYS 21 HA CYS 21 33.562 1.796 3.846 171 HB2 CYS 21 1HB CYS 21 34.243 4.452 5.129 172 HB3 CYS 21 2HB CYS 21 33.552 4.196 3.530 173 HG CYS 21 HG CYS 21 31.571 4.695 5.167 174 H ILE 22 H ILE 22 36.276 2.911 5.843 175 HA ILE 22 HA ILE 22 38.114 3.333 3.744 176 HB ILE 22 HB ILE 22 38.715 2.352 6.548 177 HG12 ILE 22 1HG1 ILE 22 38.616 5.165 5.414 178 HG13 ILE 22 2HG1 ILE 22 37.373 4.460 6.439 179 HG21 ILE 22 1HG2 ILE 22 40.581 2.131 4.889 180 HG22 ILE 22 2HG2 ILE 22 40.927 3.297 6.166 181 HG23 ILE 22 3HG2 ILE 22 40.446 3.860 4.565 182 HD11 ILE 22 1HD1 ILE 22 40.007 4.176 7.672 183 HD12 ILE 22 2HD1 ILE 22 38.547 4.934 8.301 184 HD13 ILE 22 3HD1 ILE 22 39.649 5.858 7.287 185 H PHE 23 H PHE 23 37.129 0.346 5.403 186 HA PHE 23 HA PHE 23 39.044 -1.356 4.253 187 HB2 PHE 23 1HB PHE 23 37.376 -2.013 6.001 188 HB3 PHE 23 2HB PHE 23 36.153 -2.060 4.746 189 HD1 PHE 23 HD1 PHE 23 39.257 -3.634 6.002 190 HD2 PHE 23 HD2 PHE 23 36.015 -3.895 3.196 191 HE1 PHE 23 HE1 PHE 23 39.897 -5.973 5.480 192 HE2 PHE 23 HE2 PHE 23 36.655 -6.232 2.674 193 HZ PHE 23 HZ PHE 23 38.595 -7.272 3.816 194 H LEU 24 H LEU 24 35.970 -0.159 2.917 195 HA LEU 24 HA LEU 24 36.017 -1.689 0.568 196 HB2 LEU 24 1HB LEU 24 34.763 0.947 1.245 197 HB3 LEU 24 2HB LEU 24 34.687 0.315 -0.397 198 HG LEU 24 HG LEU 24 33.800 -1.848 0.599 199 HD11 LEU 24 1HD1 LEU 24 32.621 -1.285 2.894 200 HD12 LEU 24 2HD1 LEU 24 33.923 -0.103 3.034 201 HD13 LEU 24 3HD1 LEU 24 34.302 -1.815 2.870 202 HD21 LEU 24 1HD2 LEU 24 32.299 0.769 0.794 203 HD22 LEU 24 2HD2 LEU 24 31.506 -0.782 1.071 204 HD23 LEU 24 3HD2 LEU 24 32.233 -0.431 -0.497 205 H ILE 25 H ILE 25 37.521 1.549 1.109 206 HA ILE 25 HA ILE 25 38.528 1.689 -1.522 207 HB ILE 25 HB ILE 25 40.088 3.355 -0.832 208 HG12 ILE 25 1HG1 ILE 25 39.341 3.076 2.058 209 HG13 ILE 25 2HG1 ILE 25 40.602 2.024 1.413 210 HG21 ILE 25 1HG2 ILE 25 38.510 4.905 0.310 211 HG22 ILE 25 2HG2 ILE 25 37.450 3.535 0.641 212 HG23 ILE 25 3HG2 ILE 25 37.763 4.025 -1.023 213 HD11 ILE 25 1HD1 ILE 25 41.482 4.162 2.383 214 HD12 ILE 25 2HD1 ILE 25 40.592 5.043 1.141 215 HD13 ILE 25 3HD1 ILE 25 41.895 3.946 0.682 216 H ALA 26 H ALA 26 39.720 -0.103 1.247 217 HA ALA 26 HA ALA 26 42.248 -0.764 0.243 218 HB1 ALA 26 1HB ALA 26 42.339 -2.361 1.906 219 HB2 ALA 26 2HB ALA 26 40.649 -2.823 1.705 220 HB3 ALA 26 3HB ALA 26 41.061 -1.319 2.529 221 H ILE 27 H ILE 27 39.126 -2.492 -0.252 222 HA ILE 27 HA ILE 27 40.265 -4.489 -1.885 223 HB ILE 27 HB ILE 27 38.025 -4.726 -0.904 224 HG12 ILE 27 1HG1 ILE 27 37.925 -4.938 -3.916 225 HG13 ILE 27 2HG1 ILE 27 38.908 -6.009 -2.917 226 HG21 ILE 27 1HG2 ILE 27 36.178 -3.698 -2.520 227 HG22 ILE 27 2HG2 ILE 27 37.407 -2.461 -2.752 228 HG23 ILE 27 3HG2 ILE 27 36.793 -2.804 -1.136 229 HD11 ILE 27 1HD1 ILE 27 36.854 -6.625 -1.633 230 HD12 ILE 27 2HD1 ILE 27 36.759 -7.075 -3.335 231 HD13 ILE 27 3HD1 ILE 27 35.903 -5.648 -2.752 232 H LEU 28 H LEU 28 39.202 -1.218 -2.676 233 HA LEU 28 HA LEU 28 39.452 -1.415 -5.481 234 HB2 LEU 28 1HB LEU 28 38.605 0.598 -4.247 235 HB3 LEU 28 2HB LEU 28 40.272 0.966 -3.806 236 HG LEU 28 HG LEU 28 40.813 0.870 -6.298 237 HD11 LEU 28 1HD1 LEU 28 38.731 1.425 -7.706 238 HD12 LEU 28 2HD1 LEU 28 37.793 0.796 -6.352 239 HD13 LEU 28 3HD1 LEU 28 38.924 -0.255 -7.203 240 HD21 LEU 28 1HD2 LEU 28 38.938 2.973 -5.179 241 HD22 LEU 28 2HD2 LEU 28 39.835 3.167 -6.685 242 HD23 LEU 28 3HD2 LEU 28 40.702 3.001 -5.157 243 H ALA 29 H ALA 29 41.910 -1.007 -2.963 244 HA ALA 29 HA ALA 29 44.170 -0.787 -4.619 245 HB1 ALA 29 1HB ALA 29 45.435 -1.293 -2.735 246 HB2 ALA 29 2HB ALA 29 44.252 -2.451 -2.126 247 HB3 ALA 29 3HB ALA 29 43.933 -0.720 -2.008 248 H ALA 30 H ALA 30 42.323 -3.625 -3.595 249 HA ALA 30 HA ALA 30 43.991 -5.622 -4.662 250 HB1 ALA 30 1HB ALA 30 41.763 -5.783 -3.274 251 HB2 ALA 30 2HB ALA 30 42.206 -7.078 -4.386 252 HB3 ALA 30 3HB ALA 30 41.013 -5.872 -4.867 253 H SER 31 H SER 31 41.485 -3.636 -6.218 254 HA SER 31 HA SER 31 41.591 -4.788 -8.775 255 HB2 SER 31 1HB SER 31 41.290 -1.833 -8.202 256 HB3 SER 31 2HB SER 31 40.721 -2.706 -9.619 257 HG SER 31 HG SER 31 39.890 -3.068 -6.923 258 H ALA 32 H ALA 32 43.716 -2.363 -7.274 259 HA ALA 32 HA ALA 32 45.356 -1.853 -9.501 260 HB1 ALA 32 1HB ALA 32 46.913 -0.953 -7.990 261 HB2 ALA 32 2HB ALA 32 46.455 -2.073 -6.708 262 HB3 ALA 32 3HB ALA 32 45.371 -0.756 -7.156 263 H LEU 33 H LEU 33 45.432 -4.482 -7.120 264 HA LEU 33 HA LEU 33 47.828 -5.698 -7.969 265 HB2 LEU 33 1HB LEU 33 46.533 -6.325 -5.913 266 HB3 LEU 33 2HB LEU 33 45.377 -7.151 -6.958 267 HG LEU 33 HG LEU 33 47.350 -8.444 -7.916 268 HD11 LEU 33 1HD1 LEU 33 49.260 -8.558 -6.146 269 HD12 LEU 33 2HD1 LEU 33 48.660 -6.982 -5.630 270 HD13 LEU 33 3HD1 LEU 33 49.246 -7.206 -7.278 271 HD21 LEU 33 1HD2 LEU 33 45.825 -9.512 -6.362 272 HD22 LEU 33 2HD2 LEU 33 46.602 -8.721 -4.990 273 HD23 LEU 33 3HD2 LEU 33 47.469 -9.956 -5.902 274 H TRP 34 H TRP 34 44.522 -5.952 -9.243 275 HA TRP 34 HA TRP 34 45.003 -7.952 -11.172 276 HB2 TRP 34 1HB TRP 34 42.773 -6.942 -10.611 277 HB3 TRP 34 2HB TRP 34 43.237 -5.537 -11.549 278 HD1 TRP 34 HD1 TRP 34 43.057 -9.365 -12.126 279 HE1 TRP 34 HE1 TRP 34 42.127 -9.765 -14.495 280 HE3 TRP 34 HE3 TRP 34 42.529 -4.534 -13.692 281 HZ2 TRP 34 HZ2 TRP 34 41.270 -8.235 -16.761 282 HZ3 TRP 34 HZ3 TRP 34 41.656 -4.034 -15.953 283 HH2 TRP 34 HH2 TRP 34 41.026 -5.873 -17.490 284 H ALA 35 H ALA 35 45.724 -4.492 -11.215 285 HA ALA 35 HA ALA 35 46.678 -4.301 -13.858 286 HB1 ALA 35 1HB ALA 35 47.673 -2.295 -13.216 287 HB2 ALA 35 2HB ALA 35 48.072 -2.890 -11.605 288 HB3 ALA 35 3HB ALA 35 46.405 -2.473 -12.003 289 H ALA 36 H ALA 36 48.289 -5.360 -10.888 290 HA ALA 36 HA ALA 36 50.805 -5.983 -11.981 291 HB1 ALA 36 1HB ALA 36 51.231 -7.092 -10.001 292 HB2 ALA 36 2HB ALA 36 49.600 -7.751 -9.894 293 HB3 ALA 36 3HB ALA 36 49.892 -6.055 -9.509 294 H ALA 37 H ALA 37 47.791 -7.832 -11.972 295 HA ALA 37 HA ALA 37 48.740 -10.259 -12.975 296 HB1 ALA 37 1HB ALA 37 46.521 -10.784 -13.451 297 HB2 ALA 37 2HB ALA 37 46.113 -9.121 -13.873 298 HB3 ALA 37 3HB ALA 37 46.364 -9.566 -12.185 299 H TRP 38 H TRP 38 48.000 -7.262 -14.685 300 HA TRP 38 HA TRP 38 48.124 -8.134 -17.314 301 HB2 TRP 38 1HB TRP 38 47.575 -5.839 -16.624 302 HB3 TRP 38 2HB TRP 38 49.254 -5.570 -16.195 303 HD1 TRP 38 HD1 TRP 38 46.923 -5.926 -19.181 304 HE1 TRP 38 HE1 TRP 38 48.137 -5.088 -21.293 305 HE3 TRP 38 HE3 TRP 38 51.617 -5.247 -17.288 306 HZ2 TRP 38 HZ2 TRP 38 50.757 -4.240 -22.079 307 HZ3 TRP 38 HZ3 TRP 38 53.449 -4.425 -18.736 308 HH2 TRP 38 HH2 TRP 38 53.029 -3.920 -21.125 309 H HIS 39 H HIS 39 50.760 -7.853 -15.040 310 HA HIS 39 HA HIS 39 52.947 -7.644 -16.755 311 HB2 HIS 39 1HB HIS 39 53.082 -7.459 -14.318 312 HB3 HIS 39 2HB HIS 39 52.738 -9.170 -14.162 313 HD1 HIS 39 HD1 HIS 39 54.662 -10.814 -14.601 314 HD2 HIS 39 HD2 HIS 39 55.721 -6.836 -15.256 315 HE1 HIS 39 HE1 HIS 39 57.179 -10.778 -14.855 316 H GLY 40 H GLY 40 50.854 -10.383 -16.239 317 HA2 GLY 40 1HA GLY 40 52.579 -12.516 -16.704 318 HA3 GLY 40 2HA GLY 40 50.864 -12.516 -17.088 319 H GLN 41 H GLN 41 51.293 -10.206 -19.011 320 HA GLN 41 HA GLN 41 51.488 -11.675 -21.380 321 HB2 GLN 41 1HB GLN 41 52.097 -8.737 -20.981 322 HB3 GLN 41 2HB GLN 41 51.701 -9.516 -22.511 323 HG2 GLN 41 1HG GLN 41 49.886 -9.348 -20.088 324 HG3 GLN 41 2HG GLN 41 49.724 -8.399 -21.562 325 HE21 GLN 41 1HE2 GLN 41 48.196 -10.848 -20.131 326 HE22 GLN 41 2HE2 GLN 41 47.802 -11.818 -21.467 327 H LYS 42 H LYS 42 53.124 -12.042 -22.853 328 HA LYS 42 HA LYS 42 55.693 -12.528 -21.898 329 HB2 LYS 42 1HB LYS 42 54.520 -12.269 -24.647 330 HB3 LYS 42 2HB LYS 42 56.264 -12.450 -24.455 331 HG2 LYS 42 1HG LYS 42 55.592 -14.429 -22.854 332 HG3 LYS 42 2HG LYS 42 54.073 -14.379 -23.752 333 HD2 LYS 42 1HD LYS 42 55.086 -14.970 -25.767 334 HD3 LYS 42 2HD LYS 42 56.669 -14.384 -25.259 335 HE2 LYS 42 1HE LYS 42 55.349 -16.727 -23.891 336 HE3 LYS 42 2HE LYS 42 56.335 -16.940 -25.339 337 HZ1 LYS 42 1HZ LYS 42 57.340 -16.963 -22.891 338 HZ2 LYS 42 2HZ LYS 42 57.474 -15.302 -23.222 339 HZ3 LYS 42 3HZ LYS 42 58.222 -16.438 -24.241 340 HA PRO 43 HA PRO 43 57.609 -8.531 -21.759 341 HB2 PRO 43 1HB PRO 43 60.153 -9.112 -22.744 342 HB3 PRO 43 2HB PRO 43 59.633 -9.323 -21.062 343 HG2 PRO 43 1HG PRO 43 59.866 -11.333 -23.231 344 HG3 PRO 43 2HG PRO 43 60.208 -11.488 -21.499 345 HD2 PRO 43 1HD PRO 43 57.953 -12.503 -22.583 346 HD3 PRO 43 2HD PRO 43 57.976 -11.825 -20.939 347 H GLY 44 H GLY 44 57.946 -6.766 -23.107 348 HA2 GLY 44 1HA GLY 44 56.910 -6.838 -25.698 349 HA3 GLY 44 2HA GLY 44 57.889 -5.528 -25.046 350 H THR 45 H THR 45 57.810 -6.884 -27.734 351 HA THR 45 HA THR 45 60.087 -8.444 -28.185 352 HB THR 45 HB THR 45 58.897 -6.400 -30.074 353 HG1 THR 45 HG1 THR 45 57.345 -7.790 -30.414 354 HG21 THR 45 1HG2 THR 45 60.740 -8.756 -30.353 355 HG22 THR 45 2HG2 THR 45 60.864 -7.155 -31.083 356 HG23 THR 45 3HG2 THR 45 59.678 -8.311 -31.690 357 H HIS 46 H HIS 46 62.202 -7.978 -28.718 358 HA HIS 46 HA HIS 46 63.064 -5.160 -28.573 359 HB2 HIS 46 1HB HIS 46 63.391 -6.251 -26.360 360 HB3 HIS 46 2HB HIS 46 64.410 -7.449 -27.133 361 HD1 HIS 46 HD1 HIS 46 66.803 -6.746 -27.769 362 HD2 HIS 46 HD2 HIS 46 64.563 -3.651 -26.102 363 HE1 HIS 46 HE1 HIS 46 68.432 -4.875 -27.267 Start of MODEL 18 1 H ARG 1 3H ARG 1 26.300 12.763 5.730 2 HA ARG 1 HA ARG 1 27.357 12.011 3.546 3 HB2 ARG 1 1HB ARG 1 28.035 9.669 5.351 4 HB3 ARG 1 2HB ARG 1 28.287 9.753 3.609 5 HG2 ARG 1 1HG ARG 1 29.580 11.630 5.607 6 HG3 ARG 1 2HG ARG 1 30.367 10.203 4.934 7 HD2 ARG 1 1HD ARG 1 30.000 11.143 2.643 8 HD3 ARG 1 2HD ARG 1 29.360 12.605 3.386 9 HE ARG 1 HE ARG 1 31.929 11.979 4.445 10 HH11 ARG 1 1HH1 ARG 1 30.408 13.330 1.583 11 HH12 ARG 1 2HH1 ARG 1 31.801 14.272 1.166 12 HH21 ARG 1 1HH2 ARG 1 33.691 13.215 3.857 13 HH22 ARG 1 2HH2 ARG 1 33.635 14.207 2.438 14 H SER 2 H SER 2 26.281 9.997 2.507 15 HA SER 2 HA SER 2 23.520 10.167 2.910 16 HB2 SER 2 1HB SER 2 23.318 8.408 1.320 17 HB3 SER 2 2HB SER 2 24.758 9.309 0.857 18 HG SER 2 HG SER 2 25.887 7.578 1.236 19 H LEU 3 H LEU 3 22.020 8.860 3.908 20 HA LEU 3 HA LEU 3 22.665 7.703 6.368 21 HB2 LEU 3 1HB LEU 3 20.254 7.127 4.635 22 HB3 LEU 3 2HB LEU 3 20.385 6.823 6.366 23 HG LEU 3 HG LEU 3 20.612 9.553 5.062 24 HD11 LEU 3 1HD1 LEU 3 18.396 9.967 5.731 25 HD12 LEU 3 2HD1 LEU 3 18.388 8.617 6.865 26 HD13 LEU 3 3HD1 LEU 3 18.319 8.311 5.130 27 HD21 LEU 3 1HD2 LEU 3 20.206 10.163 7.585 28 HD22 LEU 3 2HD2 LEU 3 21.829 9.716 7.060 29 HD23 LEU 3 3HD2 LEU 3 20.814 8.536 7.889 30 H LEU 4 H LEU 4 22.835 6.296 3.188 31 HA LEU 4 HA LEU 4 22.419 3.585 3.787 32 HB2 LEU 4 1HB LEU 4 24.278 4.780 1.721 33 HB3 LEU 4 2HB LEU 4 23.671 3.126 1.735 34 HG LEU 4 HG LEU 4 21.926 5.601 1.576 35 HD11 LEU 4 1HD1 LEU 4 23.107 5.417 -0.499 36 HD12 LEU 4 2HD1 LEU 4 21.520 4.698 -0.776 37 HD13 LEU 4 3HD1 LEU 4 22.926 3.663 -0.523 38 HD21 LEU 4 1HD2 LEU 4 21.397 2.629 1.568 39 HD22 LEU 4 2HD2 LEU 4 20.267 3.754 0.816 40 HD23 LEU 4 3HD2 LEU 4 20.620 3.880 2.539 41 H GLU 5 H GLU 5 25.155 5.637 4.475 42 HA GLU 5 HA GLU 5 27.112 3.565 4.657 43 HB2 GLU 5 1HB GLU 5 27.060 6.341 5.849 44 HB3 GLU 5 2HB GLU 5 28.464 5.273 5.853 45 HG2 GLU 5 1HG GLU 5 28.341 5.157 3.367 46 HG3 GLU 5 2HG GLU 5 27.014 6.309 3.403 47 H GLY 6 H GLY 6 24.671 4.673 6.880 48 HA2 GLY 6 1HA GLY 6 23.993 3.710 8.871 49 HA3 GLY 6 2HA GLY 6 25.288 2.538 8.704 50 H GLU 7 H GLU 7 26.991 5.267 8.421 51 HA GLU 7 HA GLU 7 28.137 5.250 10.969 52 HB2 GLU 7 1HB GLU 7 29.160 6.191 8.903 53 HB3 GLU 7 2HB GLU 7 28.060 7.562 9.024 54 HG2 GLU 7 1HG GLU 7 28.966 8.039 11.300 55 HG3 GLU 7 2HG GLU 7 30.123 6.733 11.084 56 H ILE 8 H ILE 8 25.162 6.737 9.968 57 HA ILE 8 HA ILE 8 25.387 9.181 11.239 58 HB ILE 8 HB ILE 8 22.901 9.302 11.129 59 HG12 ILE 8 1HG1 ILE 8 21.986 7.395 9.569 60 HG13 ILE 8 2HG1 ILE 8 23.273 6.434 10.271 61 HG21 ILE 8 1HG2 ILE 8 24.674 9.772 9.283 62 HG22 ILE 8 2HG2 ILE 8 22.976 9.668 8.820 63 HG23 ILE 8 3HG2 ILE 8 24.052 8.299 8.539 64 HD11 ILE 8 1HD1 ILE 8 22.032 7.689 12.476 65 HD12 ILE 8 2HD1 ILE 8 21.865 6.008 11.983 66 HD13 ILE 8 3HD1 ILE 8 20.718 7.210 11.406 67 HA PRO 9 HA PRO 9 23.172 7.424 15.207 68 HB2 PRO 9 1HB PRO 9 25.062 5.178 15.719 69 HB3 PRO 9 2HB PRO 9 23.326 5.297 16.069 70 HG2 PRO 9 1HG PRO 9 24.194 3.802 14.077 71 HG3 PRO 9 2HG PRO 9 22.723 4.782 13.901 72 HD2 PRO 9 1HD PRO 9 25.483 5.342 12.859 73 HD3 PRO 9 2HD PRO 9 23.915 5.569 12.055 74 H PHE 10 H PHE 10 23.866 8.415 17.055 75 HA PHE 10 HA PHE 10 26.111 10.043 16.936 76 HB2 PHE 10 1HB PHE 10 24.581 9.220 19.386 77 HB3 PHE 10 2HB PHE 10 25.604 10.635 19.225 78 HD1 PHE 10 HD1 PHE 10 24.911 12.516 17.745 79 HD2 PHE 10 HD2 PHE 10 22.350 9.155 18.514 80 HE1 PHE 10 HE1 PHE 10 22.968 13.804 16.899 81 HE2 PHE 10 HE2 PHE 10 20.406 10.442 17.670 82 HZ PHE 10 HZ PHE 10 20.715 12.767 16.861 83 HA PRO 11 HA PRO 11 28.203 7.089 20.243 84 HB2 PRO 11 1HB PRO 11 28.054 4.597 18.599 85 HB3 PRO 11 2HB PRO 11 28.078 4.788 20.364 86 HG2 PRO 11 1HG PRO 11 25.826 4.245 19.082 87 HG3 PRO 11 2HG PRO 11 25.852 5.348 20.471 88 HD2 PRO 11 1HD PRO 11 25.580 5.993 17.573 89 HD3 PRO 11 2HD PRO 11 24.890 6.820 18.982 90 HA PRO 12 HA PRO 12 31.841 7.774 17.629 91 HB2 PRO 12 1HB PRO 12 33.751 6.535 19.224 92 HB3 PRO 12 2HB PRO 12 33.208 8.212 19.410 93 HG2 PRO 12 1HG PRO 12 32.394 5.788 20.918 94 HG3 PRO 12 2HG PRO 12 32.654 7.446 21.491 95 HD2 PRO 12 1HD PRO 12 30.167 6.467 21.108 96 HD3 PRO 12 2HD PRO 12 30.558 8.172 20.792 97 H THR 13 H THR 13 31.036 4.601 18.982 98 HA THR 13 HA THR 13 32.669 3.003 17.346 99 HB THR 13 HB THR 13 31.063 1.208 17.785 100 HG1 THR 13 HG1 THR 13 29.455 3.221 18.955 101 HG21 THR 13 1HG2 THR 13 32.608 1.846 19.583 102 HG22 THR 13 2HG2 THR 13 31.057 1.344 20.255 103 HG23 THR 13 3HG2 THR 13 31.461 3.057 20.153 104 H SER 14 H SER 14 29.538 4.555 16.671 105 HA SER 14 HA SER 14 29.053 3.343 14.171 106 HB2 SER 14 1HB SER 14 28.440 6.217 14.879 107 HB3 SER 14 2HB SER 14 27.588 5.182 13.738 108 HG SER 14 HG SER 14 27.104 3.821 15.572 109 H ILE 15 H ILE 15 30.973 6.201 15.082 110 HA ILE 15 HA ILE 15 31.776 6.919 12.472 111 HB ILE 15 HB ILE 15 33.392 7.193 15.020 112 HG12 ILE 15 1HG1 ILE 15 31.494 9.161 13.705 113 HG13 ILE 15 2HG1 ILE 15 31.067 8.167 15.099 114 HG21 ILE 15 1HG2 ILE 15 33.473 8.762 12.425 115 HG22 ILE 15 2HG2 ILE 15 34.661 7.549 12.904 116 HG23 ILE 15 3HG2 ILE 15 34.490 9.033 13.841 117 HD11 ILE 15 1HD1 ILE 15 33.244 10.268 14.953 118 HD12 ILE 15 2HD1 ILE 15 33.051 9.153 16.306 119 HD13 ILE 15 3HD1 ILE 15 31.778 10.317 15.933 120 H LEU 16 H LEU 16 33.043 4.457 14.690 121 HA LEU 16 HA LEU 16 35.310 3.742 13.169 122 HB2 LEU 16 1HB LEU 16 33.605 1.863 14.817 123 HB3 LEU 16 2HB LEU 16 35.271 1.609 14.314 124 HG LEU 16 HG LEU 16 34.342 3.893 16.079 125 HD11 LEU 16 1HD1 LEU 16 34.262 1.499 17.032 126 HD12 LEU 16 2HD1 LEU 16 35.212 2.683 17.930 127 HD13 LEU 16 3HD1 LEU 16 36.020 1.513 16.887 128 HD21 LEU 16 1HD2 LEU 16 36.864 4.027 16.485 129 HD22 LEU 16 2HD2 LEU 16 36.320 4.545 14.889 130 HD23 LEU 16 3HD2 LEU 16 37.050 2.952 15.099 131 H LEU 17 H LEU 17 31.902 2.824 12.826 132 HA LEU 17 HA LEU 17 32.231 0.869 10.833 133 HB2 LEU 17 1HB LEU 17 30.059 1.432 11.947 134 HB3 LEU 17 2HB LEU 17 29.983 2.889 10.956 135 HG LEU 17 HG LEU 17 30.230 1.386 8.923 136 HD11 LEU 17 1HD1 LEU 17 29.922 -0.659 11.115 137 HD12 LEU 17 2HD1 LEU 17 31.071 -0.640 9.777 138 HD13 LEU 17 3HD1 LEU 17 29.372 -1.007 9.476 139 HD21 LEU 17 1HD2 LEU 17 28.060 2.343 9.620 140 HD22 LEU 17 2HD2 LEU 17 27.807 0.977 10.707 141 HD23 LEU 17 3HD2 LEU 17 27.849 0.720 8.963 142 H LEU 18 H LEU 18 32.187 4.411 10.594 143 HA LEU 18 HA LEU 18 32.359 4.592 7.784 144 HB2 LEU 18 1HB LEU 18 32.052 6.536 9.338 145 HB3 LEU 18 2HB LEU 18 33.764 6.417 9.739 146 HG LEU 18 HG LEU 18 34.259 6.602 7.264 147 HD11 LEU 18 1HD1 LEU 18 31.281 7.004 7.279 148 HD12 LEU 18 2HD1 LEU 18 32.274 6.085 6.148 149 HD13 LEU 18 3HD1 LEU 18 32.265 7.847 6.082 150 HD21 LEU 18 1HD2 LEU 18 32.738 8.978 8.359 151 HD22 LEU 18 2HD2 LEU 18 34.140 8.992 7.288 152 HD23 LEU 18 3HD2 LEU 18 34.322 8.504 8.973 153 H LEU 19 H LEU 19 34.865 3.998 10.225 154 HA LEU 19 HA LEU 19 37.079 3.950 8.478 155 HB2 LEU 19 1HB LEU 19 37.104 3.720 11.034 156 HB3 LEU 19 2HB LEU 19 36.776 2.008 10.762 157 HG LEU 19 HG LEU 19 38.774 2.001 9.183 158 HD11 LEU 19 1HD1 LEU 19 40.445 3.864 9.841 159 HD12 LEU 19 2HD1 LEU 19 39.031 4.734 10.439 160 HD13 LEU 19 3HD1 LEU 19 39.139 4.295 8.735 161 HD21 LEU 19 1HD2 LEU 19 40.314 1.621 10.978 162 HD22 LEU 19 2HD2 LEU 19 38.724 1.185 11.605 163 HD23 LEU 19 3HD2 LEU 19 39.452 2.731 12.042 164 H ALA 20 H ALA 20 34.585 1.529 9.102 165 HA ALA 20 HA ALA 20 35.680 -0.592 7.609 166 HB1 ALA 20 1HB ALA 20 33.590 -1.572 7.727 167 HB2 ALA 20 2HB ALA 20 32.744 -0.043 7.488 168 HB3 ALA 20 3HB ALA 20 33.474 -0.413 9.050 169 H CYS 21 H CYS 21 33.802 2.243 6.588 170 HA CYS 21 HA CYS 21 33.571 1.569 3.860 171 HB2 CYS 21 1HB CYS 21 33.973 4.357 4.967 172 HB3 CYS 21 2HB CYS 21 33.230 3.922 3.431 173 HG CYS 21 HG CYS 21 31.110 3.842 4.707 174 H ILE 22 H ILE 22 36.214 3.118 5.660 175 HA ILE 22 HA ILE 22 37.889 3.649 3.454 176 HB ILE 22 HB ILE 22 38.785 2.823 6.221 177 HG12 ILE 22 1HG1 ILE 22 37.208 4.686 6.392 178 HG13 ILE 22 2HG1 ILE 22 38.842 5.256 6.698 179 HG21 ILE 22 1HG2 ILE 22 40.126 4.520 4.103 180 HG22 ILE 22 2HG2 ILE 22 40.539 2.846 4.473 181 HG23 ILE 22 3HG2 ILE 22 40.792 4.103 5.682 182 HD11 ILE 22 1HD1 ILE 22 38.531 5.589 3.933 183 HD12 ILE 22 2HD1 ILE 22 38.431 6.851 5.158 184 HD13 ILE 22 3HD1 ILE 22 36.967 6.042 4.608 185 H PHE 23 H PHE 23 37.373 0.660 5.315 186 HA PHE 23 HA PHE 23 39.365 -0.888 4.083 187 HB2 PHE 23 1HB PHE 23 37.881 -1.613 5.990 188 HB3 PHE 23 2HB PHE 23 36.624 -1.909 4.804 189 HD1 PHE 23 HD1 PHE 23 39.957 -2.969 5.999 190 HD2 PHE 23 HD2 PHE 23 36.676 -3.834 3.364 191 HE1 PHE 23 HE1 PHE 23 40.887 -5.230 5.584 192 HE2 PHE 23 HE2 PHE 23 37.606 -6.095 2.950 193 HZ PHE 23 HZ PHE 23 39.711 -6.793 4.058 194 H LEU 24 H LEU 24 36.105 -0.038 2.922 195 HA LEU 24 HA LEU 24 36.120 -1.586 0.589 196 HB2 LEU 24 1HB LEU 24 34.192 -0.202 1.436 197 HB3 LEU 24 2HB LEU 24 35.003 1.216 0.771 198 HG LEU 24 HG LEU 24 35.092 -0.030 -1.449 199 HD11 LEU 24 1HD1 LEU 24 33.164 -1.764 -1.570 200 HD12 LEU 24 2HD1 LEU 24 33.338 -1.862 0.182 201 HD13 LEU 24 3HD1 LEU 24 34.695 -2.281 -0.863 202 HD21 LEU 24 1HD2 LEU 24 33.340 1.734 -0.602 203 HD22 LEU 24 2HD2 LEU 24 32.243 0.353 -0.563 204 HD23 LEU 24 3HD2 LEU 24 33.007 0.831 -2.080 205 H ILE 25 H ILE 25 37.604 1.604 1.187 206 HA ILE 25 HA ILE 25 38.649 1.982 -1.395 207 HB ILE 25 HB ILE 25 40.036 2.745 1.186 208 HG12 ILE 25 1HG1 ILE 25 38.087 4.340 -0.507 209 HG13 ILE 25 2HG1 ILE 25 37.646 3.539 1.001 210 HG21 ILE 25 1HG2 ILE 25 40.164 3.964 -1.583 211 HG22 ILE 25 2HG2 ILE 25 41.381 2.870 -0.925 212 HG23 ILE 25 3HG2 ILE 25 41.110 4.442 -0.173 213 HD11 ILE 25 1HD1 ILE 25 39.681 4.858 1.991 214 HD12 ILE 25 2HD1 ILE 25 38.151 5.698 1.736 215 HD13 ILE 25 3HD1 ILE 25 39.466 5.891 0.576 216 H ALA 26 H ALA 26 39.834 -0.057 1.257 217 HA ALA 26 HA ALA 26 42.223 -0.904 0.060 218 HB1 ALA 26 1HB ALA 26 42.240 -2.637 1.607 219 HB2 ALA 26 2HB ALA 26 40.493 -2.862 1.530 220 HB3 ALA 26 3HB ALA 26 41.167 -1.480 2.393 221 H ILE 27 H ILE 27 38.885 -2.031 -0.443 222 HA ILE 27 HA ILE 27 39.485 -4.209 -2.124 223 HB ILE 27 HB ILE 27 37.081 -2.382 -2.312 224 HG12 ILE 27 1HG1 ILE 27 37.331 -3.191 -0.020 225 HG13 ILE 27 2HG1 ILE 27 35.992 -4.020 -0.801 226 HG21 ILE 27 1HG2 ILE 27 35.986 -4.481 -3.147 227 HG22 ILE 27 2HG2 ILE 27 37.580 -5.235 -3.189 228 HG23 ILE 27 3HG2 ILE 27 37.232 -3.851 -4.224 229 HD11 ILE 27 1HD1 ILE 27 38.464 -5.115 0.304 230 HD12 ILE 27 2HD1 ILE 27 38.188 -5.667 -1.347 231 HD13 ILE 27 3HD1 ILE 27 36.963 -5.939 -0.109 232 H LEU 28 H LEU 28 39.120 -0.748 -2.855 233 HA LEU 28 HA LEU 28 39.496 -0.961 -5.648 234 HB2 LEU 28 1HB LEU 28 40.028 1.238 -3.676 235 HB3 LEU 28 2HB LEU 28 40.605 1.394 -5.325 236 HG LEU 28 HG LEU 28 38.385 2.447 -4.960 237 HD11 LEU 28 1HD1 LEU 28 39.208 1.239 -7.144 238 HD12 LEU 28 2HD1 LEU 28 37.547 1.821 -7.024 239 HD13 LEU 28 3HD1 LEU 28 37.903 0.113 -6.769 240 HD21 LEU 28 1HD2 LEU 28 37.708 0.515 -3.319 241 HD22 LEU 28 2HD2 LEU 28 37.164 -0.292 -4.790 242 HD23 LEU 28 3HD2 LEU 28 36.474 1.265 -4.332 243 H ALA 29 H ALA 29 41.830 -0.950 -2.994 244 HA ALA 29 HA ALA 29 44.184 -0.965 -4.532 245 HB1 ALA 29 1HB ALA 29 43.770 -0.995 -1.911 246 HB2 ALA 29 2HB ALA 29 45.273 -1.605 -2.605 247 HB3 ALA 29 3HB ALA 29 44.001 -2.730 -2.131 248 H ALA 30 H ALA 30 41.928 -3.571 -3.733 249 HA ALA 30 HA ALA 30 43.391 -5.727 -4.791 250 HB1 ALA 30 1HB ALA 30 40.415 -5.547 -5.137 251 HB2 ALA 30 2HB ALA 30 41.107 -5.679 -3.519 252 HB3 ALA 30 3HB ALA 30 41.404 -6.943 -4.712 253 H SER 31 H SER 31 41.226 -3.395 -6.387 254 HA SER 31 HA SER 31 41.397 -4.424 -8.994 255 HB2 SER 31 1HB SER 31 39.956 -2.488 -8.233 256 HB3 SER 31 2HB SER 31 41.400 -1.483 -8.294 257 HG SER 31 HG SER 31 40.369 -3.035 -10.443 258 H ALA 32 H ALA 32 43.645 -2.315 -7.216 259 HA ALA 32 HA ALA 32 45.502 -1.907 -9.286 260 HB1 ALA 32 1HB ALA 32 45.422 -0.922 -6.877 261 HB2 ALA 32 2HB ALA 32 46.992 -1.193 -7.634 262 HB3 ALA 32 3HB ALA 32 46.376 -2.340 -6.445 263 H LEU 33 H LEU 33 45.085 -4.625 -7.045 264 HA LEU 33 HA LEU 33 47.427 -6.037 -7.715 265 HB2 LEU 33 1HB LEU 33 45.889 -6.606 -5.821 266 HB3 LEU 33 2HB LEU 33 44.757 -7.266 -7.002 267 HG LEU 33 HG LEU 33 46.685 -8.720 -7.834 268 HD11 LEU 33 1HD1 LEU 33 48.385 -9.121 -5.925 269 HD12 LEU 33 2HD1 LEU 33 47.873 -7.545 -5.322 270 HD13 LEU 33 3HD1 LEU 33 48.603 -7.682 -6.922 271 HD21 LEU 33 1HD2 LEU 33 46.471 -10.269 -5.796 272 HD22 LEU 33 2HD2 LEU 33 44.963 -9.777 -6.568 273 HD23 LEU 33 3HD2 LEU 33 45.483 -8.999 -5.072 274 H TRP 34 H TRP 34 44.247 -5.927 -9.303 275 HA TRP 34 HA TRP 34 44.748 -7.872 -11.282 276 HB2 TRP 34 1HB TRP 34 42.556 -6.771 -10.938 277 HB3 TRP 34 2HB TRP 34 43.213 -5.295 -11.614 278 HD1 TRP 34 HD1 TRP 34 43.276 -5.056 -14.176 279 HE1 TRP 34 HE1 TRP 34 42.493 -6.535 -16.135 280 HE3 TRP 34 HE3 TRP 34 42.316 -9.401 -11.670 281 HZ2 TRP 34 HZ2 TRP 34 41.578 -9.212 -16.581 282 HZ3 TRP 34 HZ3 TRP 34 41.492 -11.394 -12.883 283 HH2 TRP 34 HH2 TRP 34 41.121 -11.308 -15.332 284 H ALA 35 H ALA 35 45.751 -4.490 -11.069 285 HA ALA 35 HA ALA 35 46.976 -4.264 -13.595 286 HB1 ALA 35 1HB ALA 35 48.044 -2.371 -12.763 287 HB2 ALA 35 2HB ALA 35 48.250 -3.068 -11.157 288 HB3 ALA 35 3HB ALA 35 46.661 -2.505 -11.676 289 H ALA 36 H ALA 36 48.189 -5.594 -10.547 290 HA ALA 36 HA ALA 36 50.771 -6.303 -11.402 291 HB1 ALA 36 1HB ALA 36 49.710 -6.426 -9.046 292 HB2 ALA 36 2HB ALA 36 50.888 -7.659 -9.497 293 HB3 ALA 36 3HB ALA 36 49.164 -8.029 -9.539 294 H ALA 37 H ALA 37 47.682 -7.993 -11.782 295 HA ALA 37 HA ALA 37 48.631 -10.409 -12.816 296 HB1 ALA 37 1HB ALA 37 46.436 -10.797 -13.579 297 HB2 ALA 37 2HB ALA 37 46.119 -9.076 -13.806 298 HB3 ALA 37 3HB ALA 37 46.236 -9.744 -12.179 299 H TRP 38 H TRP 38 48.111 -7.313 -14.440 300 HA TRP 38 HA TRP 38 48.423 -8.094 -17.084 301 HB2 TRP 38 1HB TRP 38 47.837 -5.826 -16.398 302 HB3 TRP 38 2HB TRP 38 49.448 -5.589 -15.748 303 HD1 TRP 38 HD1 TRP 38 47.460 -5.546 -18.953 304 HE1 TRP 38 HE1 TRP 38 48.956 -4.697 -20.871 305 HE3 TRP 38 HE3 TRP 38 51.995 -5.555 -16.605 306 HZ2 TRP 38 HZ2 TRP 38 51.719 -4.100 -21.350 307 HZ3 TRP 38 HZ3 TRP 38 54.035 -4.845 -17.810 308 HH2 TRP 38 HH2 TRP 38 53.907 -4.118 -20.176 309 H HIS 39 H HIS 39 50.886 -7.920 -14.598 310 HA HIS 39 HA HIS 39 53.185 -7.720 -16.177 311 HB2 HIS 39 1HB HIS 39 52.662 -9.070 -13.542 312 HB3 HIS 39 2HB HIS 39 54.250 -9.066 -14.282 313 HD1 HIS 39 HD1 HIS 39 55.694 -7.126 -13.692 314 HD2 HIS 39 HD2 HIS 39 51.656 -6.258 -13.134 315 HE1 HIS 39 HE1 HIS 39 55.595 -4.813 -12.669 316 H GLY 40 H GLY 40 54.495 -9.181 -17.206 317 HA2 GLY 40 1HA GLY 40 53.443 -11.485 -18.390 318 HA3 GLY 40 2HA GLY 40 55.162 -11.129 -18.236 319 H GLN 41 H GLN 41 53.637 -13.678 -17.925 320 HA GLN 41 HA GLN 41 53.581 -14.564 -15.275 321 HB2 GLN 41 1HB GLN 41 54.261 -16.119 -17.776 322 HB3 GLN 41 2HB GLN 41 53.798 -16.822 -16.227 323 HG2 GLN 41 1HG GLN 41 52.088 -14.973 -17.916 324 HG3 GLN 41 2HG GLN 41 51.864 -16.711 -17.744 325 HE21 GLN 41 1HE2 GLN 41 50.399 -14.013 -16.763 326 HE22 GLN 41 2HE2 GLN 41 49.943 -14.440 -15.186 327 H LYS 42 H LYS 42 56.346 -13.788 -17.197 328 HA LYS 42 HA LYS 42 58.093 -15.846 -16.578 329 HB2 LYS 42 1HB LYS 42 58.540 -12.989 -17.360 330 HB3 LYS 42 2HB LYS 42 59.878 -14.116 -17.129 331 HG2 LYS 42 1HG LYS 42 58.458 -15.687 -18.685 332 HG3 LYS 42 2HG LYS 42 57.686 -14.180 -19.182 333 HD2 LYS 42 1HD LYS 42 59.689 -13.285 -20.028 334 HD3 LYS 42 2HD LYS 42 60.688 -14.415 -19.114 335 HE2 LYS 42 1HE LYS 42 58.775 -15.356 -21.253 336 HE3 LYS 42 2HE LYS 42 60.431 -14.880 -21.629 337 HZ1 LYS 42 1HZ LYS 42 60.034 -17.310 -21.140 338 HZ2 LYS 42 2HZ LYS 42 59.797 -16.857 -19.521 339 HZ3 LYS 42 3HZ LYS 42 61.291 -16.567 -20.276 340 HA PRO 43 HA PRO 43 59.897 -13.155 -12.882 341 HB2 PRO 43 1HB PRO 43 57.312 -12.816 -11.429 342 HB3 PRO 43 2HB PRO 43 58.730 -11.745 -11.486 343 HG2 PRO 43 1HG PRO 43 56.554 -11.137 -12.840 344 HG3 PRO 43 2HG PRO 43 58.161 -10.880 -13.552 345 HD2 PRO 43 1HD PRO 43 56.199 -13.083 -14.094 346 HD3 PRO 43 2HD PRO 43 57.234 -12.199 -15.241 347 H GLY 44 H GLY 44 60.633 -14.294 -11.122 348 HA2 GLY 44 1HA GLY 44 60.288 -15.823 -9.276 349 HA3 GLY 44 2HA GLY 44 59.077 -16.652 -10.248 350 H THR 45 H THR 45 62.428 -15.605 -10.878 351 HA THR 45 HA THR 45 63.165 -17.806 -12.436 352 HB THR 45 HB THR 45 64.475 -15.752 -12.364 353 HG1 THR 45 HG1 THR 45 66.133 -16.924 -12.831 354 HG21 THR 45 1HG2 THR 45 65.120 -16.623 -9.533 355 HG22 THR 45 2HG2 THR 45 64.202 -15.191 -10.003 356 HG23 THR 45 3HG2 THR 45 65.920 -15.302 -10.386 357 H HIS 46 H HIS 46 62.909 -17.549 -8.958 358 HA HIS 46 HA HIS 46 63.278 -19.056 -7.269 359 HB2 HIS 46 1HB HIS 46 61.806 -20.438 -8.717 360 HB3 HIS 46 2HB HIS 46 63.233 -21.076 -9.513 361 HD1 HIS 46 HD1 HIS 46 61.931 -20.800 -5.929 362 HD2 HIS 46 HD2 HIS 46 64.031 -23.448 -8.371 363 HE1 HIS 46 HE1 HIS 46 62.367 -22.868 -4.535 Start of MODEL 19 1 H ARG 1 3H ARG 1 23.634 -9.245 17.185 2 HA ARG 1 HA ARG 1 21.649 -8.729 18.337 3 HB2 ARG 1 1HB ARG 1 22.472 -6.283 16.740 4 HB3 ARG 1 2HB ARG 1 21.710 -6.291 18.329 5 HG2 ARG 1 1HG ARG 1 24.414 -7.523 17.725 6 HG3 ARG 1 2HG ARG 1 24.184 -5.924 18.433 7 HD2 ARG 1 1HD ARG 1 22.912 -6.987 20.305 8 HD3 ARG 1 2HD ARG 1 23.296 -8.565 19.622 9 HE ARG 1 HE ARG 1 25.563 -6.814 20.177 10 HH11 ARG 1 1HH1 ARG 1 23.591 -9.493 21.305 11 HH12 ARG 1 2HH1 ARG 1 24.809 -10.055 22.400 12 HH21 ARG 1 1HH2 ARG 1 27.089 -7.586 21.607 13 HH22 ARG 1 2HH2 ARG 1 26.762 -8.988 22.569 14 H SER 2 H SER 2 19.788 -9.718 17.575 15 HA SER 2 HA SER 2 18.532 -9.254 15.124 16 HB2 SER 2 1HB SER 2 17.247 -10.030 17.754 17 HB3 SER 2 2HB SER 2 16.529 -10.224 16.158 18 HG SER 2 HG SER 2 17.605 -12.019 16.036 19 H LEU 3 H LEU 3 16.922 -7.907 14.439 20 HA LEU 3 HA LEU 3 16.796 -5.285 15.395 21 HB2 LEU 3 1HB LEU 3 14.731 -6.761 13.751 22 HB3 LEU 3 2HB LEU 3 14.882 -5.011 13.894 23 HG LEU 3 HG LEU 3 17.043 -6.844 12.810 24 HD11 LEU 3 1HD1 LEU 3 16.413 -5.540 10.657 25 HD12 LEU 3 2HD1 LEU 3 14.904 -5.173 11.492 26 HD13 LEU 3 3HD1 LEU 3 15.346 -6.849 11.167 27 HD21 LEU 3 1HD2 LEU 3 17.806 -4.488 11.944 28 HD22 LEU 3 2HD2 LEU 3 18.152 -4.937 13.614 29 HD23 LEU 3 3HD2 LEU 3 16.791 -3.875 13.251 30 H LEU 4 H LEU 4 15.106 -8.086 16.560 31 HA LEU 4 HA LEU 4 12.674 -6.939 17.369 32 HB2 LEU 4 1HB LEU 4 14.196 -9.210 18.665 33 HB3 LEU 4 2HB LEU 4 12.484 -8.852 18.885 34 HG LEU 4 HG LEU 4 13.773 -9.510 16.220 35 HD11 LEU 4 1HD1 LEU 4 13.772 -11.463 17.701 36 HD12 LEU 4 2HD1 LEU 4 12.543 -11.661 16.451 37 HD13 LEU 4 3HD1 LEU 4 12.071 -11.193 18.085 38 HD21 LEU 4 1HD2 LEU 4 11.818 -8.156 15.880 39 HD22 LEU 4 2HD2 LEU 4 10.919 -9.032 17.119 40 HD23 LEU 4 3HD2 LEU 4 11.320 -9.824 15.595 41 H GLU 5 H GLU 5 15.857 -6.756 18.832 42 HA GLU 5 HA GLU 5 14.965 -5.981 21.439 43 HB2 GLU 5 1HB GLU 5 17.603 -5.514 20.037 44 HB3 GLU 5 2HB GLU 5 17.305 -5.214 21.750 45 HG2 GLU 5 1HG GLU 5 16.975 -7.887 20.361 46 HG3 GLU 5 2HG GLU 5 18.342 -7.434 21.370 47 H GLY 6 H GLY 6 15.618 -4.195 18.483 48 HA2 GLY 6 1HA GLY 6 14.842 -2.156 17.805 49 HA3 GLY 6 2HA GLY 6 13.880 -2.101 19.268 50 H GLU 7 H GLU 7 16.902 -2.447 20.525 51 HA GLU 7 HA GLU 7 17.028 0.212 21.439 52 HB2 GLU 7 1HB GLU 7 18.104 -1.766 22.540 53 HB3 GLU 7 2HB GLU 7 19.321 -1.756 21.264 54 HG2 GLU 7 1HG GLU 7 19.885 0.593 21.862 55 HG3 GLU 7 2HG GLU 7 18.730 0.511 23.186 56 H ILE 8 H ILE 8 18.075 2.016 20.689 57 HA ILE 8 HA ILE 8 18.884 2.252 18.026 58 HB ILE 8 HB ILE 8 19.939 4.386 18.734 59 HG12 ILE 8 1HG1 ILE 8 19.152 3.500 21.528 60 HG13 ILE 8 2HG1 ILE 8 20.807 3.499 20.921 61 HG21 ILE 8 1HG2 ILE 8 17.413 4.014 18.431 62 HG22 ILE 8 2HG2 ILE 8 17.900 5.439 19.349 63 HG23 ILE 8 3HG2 ILE 8 17.321 4.002 20.192 64 HD11 ILE 8 1HD1 ILE 8 20.596 5.567 22.064 65 HD12 ILE 8 2HD1 ILE 8 18.995 5.868 21.389 66 HD13 ILE 8 3HD1 ILE 8 20.422 5.980 20.359 67 HA PRO 9 HA PRO 9 23.103 0.523 18.268 68 HB2 PRO 9 1HB PRO 9 24.274 2.099 16.297 69 HB3 PRO 9 2HB PRO 9 23.418 0.575 15.998 70 HG2 PRO 9 1HG PRO 9 22.468 3.367 15.684 71 HG3 PRO 9 2HG PRO 9 22.121 1.932 14.701 72 HD2 PRO 9 1HD PRO 9 20.325 2.916 16.475 73 HD3 PRO 9 2HD PRO 9 20.455 1.178 16.129 74 H PHE 10 H PHE 10 24.889 1.166 19.503 75 HA PHE 10 HA PHE 10 24.916 3.606 20.875 76 HB2 PHE 10 1HB PHE 10 26.711 1.314 20.539 77 HB3 PHE 10 2HB PHE 10 27.586 2.802 20.802 78 HD1 PHE 10 HD1 PHE 10 26.235 4.325 22.729 79 HD2 PHE 10 HD2 PHE 10 26.429 0.045 22.432 80 HE1 PHE 10 HE1 PHE 10 25.792 4.137 25.161 81 HE2 PHE 10 HE2 PHE 10 25.984 -0.144 24.864 82 HZ PHE 10 HZ PHE 10 25.666 1.902 26.230 83 HA PRO 11 HA PRO 11 26.258 6.400 17.664 84 HB2 PRO 11 1HB PRO 11 27.836 7.936 19.632 85 HB3 PRO 11 2HB PRO 11 26.473 8.443 18.621 86 HG2 PRO 11 1HG PRO 11 26.253 8.073 21.268 87 HG3 PRO 11 2HG PRO 11 24.917 7.782 20.140 88 HD2 PRO 11 1HD PRO 11 26.667 5.798 21.531 89 HD3 PRO 11 2HD PRO 11 24.949 5.682 21.086 90 HA PRO 12 HA PRO 12 31.110 5.859 18.186 91 HB2 PRO 12 1HB PRO 12 30.999 3.379 19.844 92 HB3 PRO 12 2HB PRO 12 32.214 4.672 19.822 93 HG2 PRO 12 1HG PRO 12 30.414 4.467 21.777 94 HG3 PRO 12 2HG PRO 12 30.992 6.035 21.189 95 HD2 PRO 12 1HD PRO 12 28.354 4.740 20.764 96 HD3 PRO 12 2HD PRO 12 28.780 6.459 20.782 97 H THR 13 H THR 13 28.764 3.163 18.156 98 HA THR 13 HA THR 13 30.235 1.458 16.456 99 HB THR 13 HB THR 13 28.192 0.303 15.983 100 HG1 THR 13 HG1 THR 13 26.294 1.243 16.030 101 HG21 THR 13 1HG2 THR 13 27.960 1.452 18.777 102 HG22 THR 13 2HG2 THR 13 29.062 0.153 18.320 103 HG23 THR 13 3HG2 THR 13 27.319 -0.092 18.215 104 H SER 14 H SER 14 28.221 4.270 15.742 105 HA SER 14 HA SER 14 27.956 3.778 12.959 106 HB2 SER 14 1HB SER 14 27.175 6.034 12.792 107 HB3 SER 14 2HB SER 14 26.584 5.399 14.324 108 HG SER 14 HG SER 14 28.527 6.380 15.249 109 H ILE 15 H ILE 15 30.192 5.909 14.775 110 HA ILE 15 HA ILE 15 31.632 6.738 12.487 111 HB ILE 15 HB ILE 15 33.430 7.385 14.050 112 HG12 ILE 15 1HG1 ILE 15 31.672 6.161 16.188 113 HG13 ILE 15 2HG1 ILE 15 33.129 5.382 15.569 114 HG21 ILE 15 1HG2 ILE 15 30.637 7.997 15.062 115 HG22 ILE 15 2HG2 ILE 15 31.427 8.812 13.711 116 HG23 ILE 15 3HG2 ILE 15 32.081 8.972 15.341 117 HD11 ILE 15 1HD1 ILE 15 33.888 6.546 17.478 118 HD12 ILE 15 2HD1 ILE 15 32.891 7.956 17.120 119 HD13 ILE 15 3HD1 ILE 15 34.316 7.611 16.139 120 H LEU 16 H LEU 16 31.960 3.847 14.505 121 HA LEU 16 HA LEU 16 34.383 2.908 13.413 122 HB2 LEU 16 1HB LEU 16 31.991 1.405 14.487 123 HB3 LEU 16 2HB LEU 16 33.509 0.631 14.034 124 HG LEU 16 HG LEU 16 33.346 2.910 16.022 125 HD11 LEU 16 1HD1 LEU 16 33.084 -0.065 16.364 126 HD12 LEU 16 2HD1 LEU 16 32.196 1.228 17.170 127 HD13 LEU 16 3HD1 LEU 16 33.865 0.888 17.627 128 HD21 LEU 16 1HD2 LEU 16 35.478 0.989 15.089 129 HD22 LEU 16 2HD2 LEU 16 35.590 1.770 16.665 130 HD23 LEU 16 3HD2 LEU 16 35.554 2.748 15.198 131 H LEU 17 H LEU 17 31.045 2.677 12.217 132 HA LEU 17 HA LEU 17 31.547 0.985 10.032 133 HB2 LEU 17 1HB LEU 17 29.283 1.740 10.771 134 HB3 LEU 17 2HB LEU 17 29.627 3.323 10.070 135 HG LEU 17 HG LEU 17 30.098 2.130 7.879 136 HD11 LEU 17 1HD1 LEU 17 28.842 -0.145 7.804 137 HD12 LEU 17 2HD1 LEU 17 29.058 -0.150 9.554 138 HD13 LEU 17 3HD1 LEU 17 30.466 -0.116 8.492 139 HD21 LEU 17 1HD2 LEU 17 28.003 3.302 8.169 140 HD22 LEU 17 2HD2 LEU 17 27.346 1.988 9.143 141 HD23 LEU 17 3HD2 LEU 17 27.640 1.747 7.422 142 H LEU 18 H LEU 18 32.025 4.481 10.392 143 HA LEU 18 HA LEU 18 32.760 5.032 7.725 144 HB2 LEU 18 1HB LEU 18 32.376 6.764 9.483 145 HB3 LEU 18 2HB LEU 18 33.927 6.324 10.199 146 HG LEU 18 HG LEU 18 34.989 6.786 7.947 147 HD11 LEU 18 1HD1 LEU 18 33.157 6.670 6.442 148 HD12 LEU 18 2HD1 LEU 18 33.551 8.386 6.528 149 HD13 LEU 18 3HD1 LEU 18 32.174 7.751 7.429 150 HD21 LEU 18 1HD2 LEU 18 34.876 9.266 8.236 151 HD22 LEU 18 2HD2 LEU 18 35.136 8.419 9.761 152 HD23 LEU 18 3HD2 LEU 18 33.537 9.045 9.361 153 H LEU 19 H LEU 19 34.663 3.778 10.443 154 HA LEU 19 HA LEU 19 37.163 3.683 9.147 155 HB2 LEU 19 1HB LEU 19 36.727 3.203 11.584 156 HB3 LEU 19 2HB LEU 19 36.143 1.612 11.095 157 HG LEU 19 HG LEU 19 38.401 1.416 9.824 158 HD11 LEU 19 1HD1 LEU 19 39.011 3.811 10.131 159 HD12 LEU 19 2HD1 LEU 19 40.225 2.724 10.805 160 HD13 LEU 19 3HD1 LEU 19 39.088 3.546 11.873 161 HD21 LEU 19 1HD2 LEU 19 38.423 1.446 12.858 162 HD22 LEU 19 2HD2 LEU 19 39.451 0.473 11.805 163 HD23 LEU 19 3HD2 LEU 19 37.718 0.153 11.886 164 H ALA 20 H ALA 20 34.404 1.479 9.007 165 HA ALA 20 HA ALA 20 35.602 -0.560 7.480 166 HB1 ALA 20 1HB ALA 20 33.464 -1.379 7.150 167 HB2 ALA 20 2HB ALA 20 32.760 0.229 6.983 168 HB3 ALA 20 3HB ALA 20 33.216 -0.372 8.576 169 H CYS 21 H CYS 21 34.187 2.534 6.517 170 HA CYS 21 HA CYS 21 34.050 2.006 3.745 171 HB2 CYS 21 1HB CYS 21 34.375 4.626 5.224 172 HB3 CYS 21 2HB CYS 21 34.006 4.487 3.504 173 HG CYS 21 HG CYS 21 31.647 4.363 4.269 174 H ILE 22 H ILE 22 36.571 3.625 5.692 175 HA ILE 22 HA ILE 22 38.310 4.069 3.500 176 HB ILE 22 HB ILE 22 40.111 4.347 5.150 177 HG12 ILE 22 1HG1 ILE 22 38.051 3.650 7.247 178 HG13 ILE 22 2HG1 ILE 22 39.247 2.486 6.675 179 HG21 ILE 22 1HG2 ILE 22 37.521 5.587 6.112 180 HG22 ILE 22 2HG2 ILE 22 38.385 6.124 4.672 181 HG23 ILE 22 3HG2 ILE 22 39.146 6.259 6.257 182 HD11 ILE 22 1HD1 ILE 22 40.968 4.384 7.200 183 HD12 ILE 22 2HD1 ILE 22 40.322 3.423 8.531 184 HD13 ILE 22 3HD1 ILE 22 39.678 5.034 8.211 185 H PHE 23 H PHE 23 37.868 1.229 5.583 186 HA PHE 23 HA PHE 23 40.045 -0.268 4.646 187 HB2 PHE 23 1HB PHE 23 38.519 -0.936 6.498 188 HB3 PHE 23 2HB PHE 23 37.295 -1.325 5.305 189 HD1 PHE 23 HD1 PHE 23 40.605 -2.260 6.662 190 HD2 PHE 23 HD2 PHE 23 37.416 -3.347 3.998 191 HE1 PHE 23 HE1 PHE 23 41.572 -4.532 6.431 192 HE2 PHE 23 HE2 PHE 23 38.383 -5.620 3.768 193 HZ PHE 23 HZ PHE 23 40.462 -6.212 4.984 194 H LEU 24 H LEU 24 36.829 0.231 3.187 195 HA LEU 24 HA LEU 24 37.138 -1.514 1.021 196 HB2 LEU 24 1HB LEU 24 35.725 1.160 0.991 197 HB3 LEU 24 2HB LEU 24 35.478 -0.165 -0.139 198 HG LEU 24 HG LEU 24 34.993 -0.340 2.850 199 HD11 LEU 24 1HD1 LEU 24 32.593 -0.406 2.182 200 HD12 LEU 24 2HD1 LEU 24 33.070 -0.068 0.519 201 HD13 LEU 24 3HD1 LEU 24 33.356 1.132 1.778 202 HD21 LEU 24 1HD2 LEU 24 33.719 -2.435 2.012 203 HD22 LEU 24 2HD2 LEU 24 35.479 -2.526 2.071 204 HD23 LEU 24 3HD2 LEU 24 34.661 -2.251 0.533 205 H ILE 25 H ILE 25 38.322 1.818 1.428 206 HA ILE 25 HA ILE 25 39.396 2.130 -1.149 207 HB ILE 25 HB ILE 25 40.610 3.157 1.429 208 HG12 ILE 25 1HG1 ILE 25 38.624 4.486 -0.441 209 HG13 ILE 25 2HG1 ILE 25 38.174 3.725 1.085 210 HG21 ILE 25 1HG2 ILE 25 41.553 4.901 -0.008 211 HG22 ILE 25 2HG2 ILE 25 40.791 4.172 -1.422 212 HG23 ILE 25 3HG2 ILE 25 42.076 3.313 -0.571 213 HD11 ILE 25 1HD1 ILE 25 40.101 6.040 0.749 214 HD12 ILE 25 2HD1 ILE 25 39.734 5.246 2.280 215 HD13 ILE 25 3HD1 ILE 25 38.473 6.130 1.420 216 H ALA 26 H ALA 26 40.720 0.423 1.673 217 HA ALA 26 HA ALA 26 43.204 -0.275 0.570 218 HB1 ALA 26 1HB ALA 26 42.234 -0.718 2.944 219 HB2 ALA 26 2HB ALA 26 43.357 -1.889 2.256 220 HB3 ALA 26 3HB ALA 26 41.623 -2.214 2.236 221 H ILE 27 H ILE 27 40.028 -1.844 0.254 222 HA ILE 27 HA ILE 27 40.859 -4.040 -1.295 223 HB ILE 27 HB ILE 27 38.220 -2.559 -1.462 224 HG12 ILE 27 1HG1 ILE 27 38.987 -4.972 0.209 225 HG13 ILE 27 2HG1 ILE 27 38.891 -3.328 0.843 226 HG21 ILE 27 1HG2 ILE 27 37.347 -4.707 -2.270 227 HG22 ILE 27 2HG2 ILE 27 38.956 -5.420 -2.155 228 HG23 ILE 27 3HG2 ILE 27 38.640 -4.143 -3.330 229 HD11 ILE 27 1HD1 ILE 27 36.494 -3.295 -0.109 230 HD12 ILE 27 2HD1 ILE 27 36.774 -4.266 1.336 231 HD13 ILE 27 3HD1 ILE 27 36.659 -5.046 -0.241 232 H LEU 28 H LEU 28 40.130 -0.696 -2.227 233 HA LEU 28 HA LEU 28 40.247 -1.035 -5.021 234 HB2 LEU 28 1HB LEU 28 39.565 1.072 -3.850 235 HB3 LEU 28 2HB LEU 28 41.267 1.363 -3.488 236 HG LEU 28 HG LEU 28 41.715 1.153 -5.982 237 HD11 LEU 28 1HD1 LEU 28 39.588 1.729 -7.340 238 HD12 LEU 28 2HD1 LEU 28 38.697 1.134 -5.938 239 HD13 LEU 28 3HD1 LEU 28 39.790 0.059 -6.812 240 HD21 LEU 28 1HD2 LEU 28 39.986 3.359 -4.839 241 HD22 LEU 28 2HD2 LEU 28 40.703 3.460 -6.448 242 HD23 LEU 28 3HD2 LEU 28 41.740 3.344 -5.025 243 H ALA 29 H ALA 29 42.829 -0.673 -2.626 244 HA ALA 29 HA ALA 29 45.011 -0.580 -4.405 245 HB1 ALA 29 1HB ALA 29 45.144 -2.130 -1.836 246 HB2 ALA 29 2HB ALA 29 44.940 -0.380 -1.805 247 HB3 ALA 29 3HB ALA 29 46.362 -1.088 -2.570 248 H ALA 30 H ALA 30 43.198 -3.329 -3.096 249 HA ALA 30 HA ALA 30 44.721 -5.392 -4.255 250 HB1 ALA 30 1HB ALA 30 42.681 -5.470 -2.605 251 HB2 ALA 30 2HB ALA 30 42.967 -6.812 -3.713 252 HB3 ALA 30 3HB ALA 30 41.737 -5.605 -4.089 253 H SER 31 H SER 31 42.081 -3.432 -5.593 254 HA SER 31 HA SER 31 41.791 -4.765 -8.041 255 HB2 SER 31 1HB SER 31 41.557 -1.783 -7.578 256 HB3 SER 31 2HB SER 31 40.831 -2.705 -8.890 257 HG SER 31 HG SER 31 39.712 -3.901 -7.232 258 H ALA 32 H ALA 32 44.131 -2.270 -7.061 259 HA ALA 32 HA ALA 32 45.353 -1.902 -9.568 260 HB1 ALA 32 1HB ALA 32 47.055 -0.815 -8.425 261 HB2 ALA 32 2HB ALA 32 47.007 -1.943 -7.070 262 HB3 ALA 32 3HB ALA 32 45.747 -0.720 -7.245 263 H LEU 33 H LEU 33 45.920 -4.328 -7.034 264 HA LEU 33 HA LEU 33 48.102 -5.634 -8.244 265 HB2 LEU 33 1HB LEU 33 47.277 -6.069 -5.930 266 HB3 LEU 33 2HB LEU 33 45.899 -6.927 -6.621 267 HG LEU 33 HG LEU 33 47.568 -8.400 -7.844 268 HD11 LEU 33 1HD1 LEU 33 49.838 -8.419 -6.554 269 HD12 LEU 33 2HD1 LEU 33 49.409 -6.768 -6.107 270 HD13 LEU 33 3HD1 LEU 33 49.589 -7.202 -7.807 271 HD21 LEU 33 1HD2 LEU 33 48.171 -9.669 -5.720 272 HD22 LEU 33 2HD2 LEU 33 46.459 -9.288 -5.906 273 HD23 LEU 33 3HD2 LEU 33 47.461 -8.329 -4.817 274 H TRP 34 H TRP 34 44.607 -5.974 -8.780 275 HA TRP 34 HA TRP 34 44.705 -8.137 -10.581 276 HB2 TRP 34 1HB TRP 34 42.631 -7.066 -9.625 277 HB3 TRP 34 2HB TRP 34 42.834 -5.786 -10.804 278 HD1 TRP 34 HD1 TRP 34 41.839 -6.166 -13.123 279 HE1 TRP 34 HE1 TRP 34 40.729 -8.157 -14.324 280 HE3 TRP 34 HE3 TRP 34 42.763 -9.866 -9.728 281 HZ2 TRP 34 HZ2 TRP 34 40.291 -10.956 -13.901 282 HZ3 TRP 34 HZ3 TRP 34 41.991 -12.180 -10.150 283 HH2 TRP 34 HH2 TRP 34 40.758 -12.732 -12.227 284 H ALA 35 H ALA 35 45.357 -4.704 -11.073 285 HA ALA 35 HA ALA 35 45.587 -4.724 -13.878 286 HB1 ALA 35 1HB ALA 35 45.747 -2.752 -12.165 287 HB2 ALA 35 2HB ALA 35 46.654 -2.664 -13.674 288 HB3 ALA 35 3HB ALA 35 47.472 -3.122 -12.180 289 H ALA 36 H ALA 36 47.945 -5.520 -11.355 290 HA ALA 36 HA ALA 36 50.109 -6.179 -13.032 291 HB1 ALA 36 1HB ALA 36 49.510 -7.743 -10.540 292 HB2 ALA 36 2HB ALA 36 49.969 -6.042 -10.438 293 HB3 ALA 36 3HB ALA 36 51.069 -7.210 -11.172 294 H ALA 37 H ALA 37 47.312 -8.103 -12.023 295 HA ALA 37 HA ALA 37 48.060 -10.567 -13.108 296 HB1 ALA 37 1HB ALA 37 45.856 -11.216 -12.805 297 HB2 ALA 37 2HB ALA 37 45.219 -9.639 -13.270 298 HB3 ALA 37 3HB ALA 37 45.976 -9.854 -11.691 299 H TRP 38 H TRP 38 46.657 -7.745 -14.692 300 HA TRP 38 HA TRP 38 46.000 -8.826 -17.159 301 HB2 TRP 38 1HB TRP 38 45.549 -6.504 -16.450 302 HB3 TRP 38 2HB TRP 38 47.251 -6.130 -16.647 303 HD1 TRP 38 HD1 TRP 38 48.046 -5.446 -18.988 304 HE1 TRP 38 HE1 TRP 38 46.924 -5.263 -21.301 305 HE3 TRP 38 HE3 TRP 38 43.586 -7.721 -17.985 306 HZ2 TRP 38 HZ2 TRP 38 44.456 -5.985 -22.562 307 HZ3 TRP 38 HZ3 TRP 38 41.871 -7.959 -19.755 308 HH2 TRP 38 HH2 TRP 38 42.297 -7.097 -22.038 309 H HIS 39 H HIS 39 49.193 -8.261 -15.859 310 HA HIS 39 HA HIS 39 50.687 -8.031 -18.206 311 HB2 HIS 39 1HB HIS 39 51.578 -7.699 -15.927 312 HB3 HIS 39 2HB HIS 39 51.469 -9.427 -15.646 313 HD1 HIS 39 HD1 HIS 39 53.084 -7.159 -18.269 314 HD2 HIS 39 HD2 HIS 39 53.889 -10.638 -16.119 315 HE1 HIS 39 HE1 HIS 39 55.409 -7.892 -18.943 316 H GLY 40 H GLY 40 51.651 -9.469 -19.581 317 HA2 GLY 40 1HA GLY 40 51.969 -11.403 -20.774 318 HA3 GLY 40 2HA GLY 40 51.943 -12.221 -19.216 319 H GLN 41 H GLN 41 51.005 -13.703 -21.116 320 HA GLN 41 HA GLN 41 48.361 -13.460 -21.974 321 HB2 GLN 41 1HB GLN 41 50.012 -15.148 -22.784 322 HB3 GLN 41 2HB GLN 41 49.806 -16.023 -21.267 323 HG2 GLN 41 1HG GLN 41 47.359 -16.198 -21.755 324 HG3 GLN 41 2HG GLN 41 47.656 -15.451 -23.324 325 HE21 GLN 41 1HE2 GLN 41 47.885 -16.967 -24.963 326 HE22 GLN 41 2HE2 GLN 41 48.512 -18.532 -24.764 327 H LYS 42 H LYS 42 46.393 -14.170 -21.162 328 HA LYS 42 HA LYS 42 45.897 -13.866 -18.445 329 HB2 LYS 42 1HB LYS 42 44.286 -15.394 -20.503 330 HB3 LYS 42 2HB LYS 42 43.688 -14.896 -18.921 331 HG2 LYS 42 1HG LYS 42 43.667 -12.639 -19.483 332 HG3 LYS 42 2HG LYS 42 44.902 -12.829 -20.728 333 HD2 LYS 42 1HD LYS 42 43.372 -13.778 -22.266 334 HD3 LYS 42 2HD LYS 42 42.180 -14.103 -21.007 335 HE2 LYS 42 1HE LYS 42 43.031 -11.269 -21.508 336 HE3 LYS 42 2HE LYS 42 41.872 -12.025 -22.601 337 HZ1 LYS 42 1HZ LYS 42 40.673 -12.703 -20.464 338 HZ2 LYS 42 2HZ LYS 42 40.555 -11.083 -20.964 339 HZ3 LYS 42 3HZ LYS 42 41.614 -11.513 -19.707 340 HA PRO 43 HA PRO 43 47.342 -17.584 -16.566 341 HB2 PRO 43 1HB PRO 43 44.813 -17.780 -15.010 342 HB3 PRO 43 2HB PRO 43 46.491 -17.695 -14.439 343 HG2 PRO 43 1HG PRO 43 44.828 -15.625 -14.232 344 HG3 PRO 43 2HG PRO 43 46.559 -15.412 -14.552 345 HD2 PRO 43 1HD PRO 43 44.256 -15.138 -16.434 346 HD3 PRO 43 2HD PRO 43 45.798 -14.256 -16.393 347 H GLY 44 H GLY 44 47.226 -19.786 -16.856 348 HA2 GLY 44 1HA GLY 44 45.652 -20.862 -18.895 349 HA3 GLY 44 2HA GLY 44 46.523 -21.810 -17.694 350 H THR 45 H THR 45 43.824 -22.171 -18.919 351 HA THR 45 HA THR 45 41.753 -21.563 -17.144 352 HB THR 45 HB THR 45 40.525 -23.394 -18.209 353 HG1 THR 45 HG1 THR 45 41.782 -24.587 -19.825 354 HG21 THR 45 1HG2 THR 45 40.561 -22.528 -20.421 355 HG22 THR 45 2HG2 THR 45 42.265 -22.090 -20.304 356 HG23 THR 45 3HG2 THR 45 41.057 -21.182 -19.396 357 H HIS 46 H HIS 46 44.250 -23.999 -16.863 358 HA HIS 46 HA HIS 46 42.811 -25.468 -14.798 359 HB2 HIS 46 1HB HIS 46 45.616 -25.740 -15.886 360 HB3 HIS 46 2HB HIS 46 44.918 -26.790 -14.668 361 HD1 HIS 46 HD1 HIS 46 44.904 -26.063 -18.325 362 HD2 HIS 46 HD2 HIS 46 42.927 -28.604 -15.676 363 HE1 HIS 46 HE1 HIS 46 43.712 -27.788 -19.743 Start of MODEL 20 1 H ARG 1 3H ARG 1 45.990 14.166 15.601 2 HA ARG 1 HA ARG 1 45.612 15.473 13.482 3 HB2 ARG 1 1HB ARG 1 43.936 12.998 12.973 4 HB3 ARG 1 2HB ARG 1 43.805 14.500 12.056 5 HG2 ARG 1 1HG ARG 1 46.232 14.304 11.479 6 HG3 ARG 1 2HG ARG 1 46.258 12.733 12.276 7 HD2 ARG 1 1HD ARG 1 44.541 13.495 9.899 8 HD3 ARG 1 2HD ARG 1 45.959 12.455 9.859 9 HE ARG 1 HE ARG 1 43.889 11.558 11.676 10 HH11 ARG 1 1HH1 ARG 1 45.062 11.396 8.371 11 HH12 ARG 1 2HH1 ARG 1 44.249 9.900 8.052 12 HH21 ARG 1 1HH2 ARG 1 42.867 9.635 11.206 13 HH22 ARG 1 2HH2 ARG 1 43.022 8.916 9.638 14 H SER 2 H SER 2 43.676 16.772 13.466 15 HA SER 2 HA SER 2 42.538 17.191 15.983 16 HB2 SER 2 1HB SER 2 42.639 18.879 14.167 17 HB3 SER 2 2HB SER 2 41.386 17.993 13.306 18 HG SER 2 HG SER 2 40.001 18.368 15.046 19 H LEU 3 H LEU 3 41.520 15.012 13.437 20 HA LEU 3 HA LEU 3 38.806 14.749 14.044 21 HB2 LEU 3 1HB LEU 3 40.851 12.942 12.807 22 HB3 LEU 3 2HB LEU 3 39.262 12.296 13.189 23 HG LEU 3 HG LEU 3 39.446 13.115 10.850 24 HD11 LEU 3 1HD1 LEU 3 37.544 14.923 12.318 25 HD12 LEU 3 2HD1 LEU 3 37.307 13.175 12.309 26 HD13 LEU 3 3HD1 LEU 3 37.310 14.074 10.791 27 HD21 LEU 3 1HD2 LEU 3 39.608 15.484 10.365 28 HD22 LEU 3 2HD2 LEU 3 41.001 15.018 11.340 29 HD23 LEU 3 3HD2 LEU 3 39.651 15.875 12.084 30 H LEU 4 H LEU 4 41.561 13.596 15.834 31 HA LEU 4 HA LEU 4 40.462 11.365 17.127 32 HB2 LEU 4 1HB LEU 4 42.859 12.028 17.173 33 HB3 LEU 4 2HB LEU 4 42.441 13.350 18.261 34 HG LEU 4 HG LEU 4 41.446 11.630 19.824 35 HD11 LEU 4 1HD1 LEU 4 42.702 9.811 17.762 36 HD12 LEU 4 2HD1 LEU 4 41.056 9.767 18.395 37 HD13 LEU 4 3HD1 LEU 4 42.408 9.280 19.418 38 HD21 LEU 4 1HD2 LEU 4 43.590 11.001 20.752 39 HD22 LEU 4 2HD2 LEU 4 43.765 12.606 20.042 40 HD23 LEU 4 3HD2 LEU 4 44.377 11.191 19.184 41 H GLU 5 H GLU 5 39.901 14.772 17.657 42 HA GLU 5 HA GLU 5 39.001 14.572 20.357 43 HB2 GLU 5 1HB GLU 5 38.487 16.675 18.249 44 HB3 GLU 5 2HB GLU 5 38.075 16.842 19.956 45 HG2 GLU 5 1HG GLU 5 40.465 16.471 20.539 46 HG3 GLU 5 2HG GLU 5 40.852 16.402 18.825 47 H GLY 6 H GLY 6 37.412 13.999 17.299 48 HA2 GLY 6 1HA GLY 6 35.314 13.172 16.831 49 HA3 GLY 6 2HA GLY 6 35.140 12.838 18.547 50 H GLU 7 H GLU 7 35.813 16.114 17.539 51 HA GLU 7 HA GLU 7 33.652 17.196 18.938 52 HB2 GLU 7 1HB GLU 7 35.259 18.381 16.671 53 HB3 GLU 7 2HB GLU 7 34.170 19.293 17.717 54 HG2 GLU 7 1HG GLU 7 36.560 17.687 18.661 55 HG3 GLU 7 2HG GLU 7 36.525 19.437 18.484 56 H ILE 8 H ILE 8 33.722 15.886 15.701 57 HA ILE 8 HA ILE 8 31.747 17.404 14.476 58 HB ILE 8 HB ILE 8 31.382 15.433 13.011 59 HG12 ILE 8 1HG1 ILE 8 33.308 14.049 14.902 60 HG13 ILE 8 2HG1 ILE 8 31.573 13.739 14.855 61 HG21 ILE 8 1HG2 ILE 8 33.688 15.306 12.189 62 HG22 ILE 8 2HG2 ILE 8 34.288 15.927 13.727 63 HG23 ILE 8 3HG2 ILE 8 33.315 16.959 12.679 64 HD11 ILE 8 1HD1 ILE 8 33.513 13.349 12.557 65 HD12 ILE 8 2HD1 ILE 8 31.769 13.098 12.465 66 HD13 ILE 8 3HD1 ILE 8 32.755 12.069 13.505 67 HA PRO 9 HA PRO 9 28.068 16.440 16.771 68 HB2 PRO 9 1HB PRO 9 26.520 16.337 14.241 69 HB3 PRO 9 2HB PRO 9 26.311 17.381 15.658 70 HG2 PRO 9 1HG PRO 9 27.295 18.291 13.349 71 HG3 PRO 9 2HG PRO 9 27.820 18.920 14.921 72 HD2 PRO 9 1HD PRO 9 29.253 17.065 13.068 73 HD3 PRO 9 2HD PRO 9 29.903 18.318 14.149 74 H PHE 10 H PHE 10 28.950 14.455 14.022 75 HA PHE 10 HA PHE 10 26.971 12.509 14.144 76 HB2 PHE 10 1HB PHE 10 29.878 12.233 13.384 77 HB3 PHE 10 2HB PHE 10 28.660 11.006 13.088 78 HD1 PHE 10 HD1 PHE 10 26.915 11.347 11.395 79 HD2 PHE 10 HD2 PHE 10 29.962 14.292 12.101 80 HE1 PHE 10 HE1 PHE 10 26.332 12.463 9.258 81 HE2 PHE 10 HE2 PHE 10 29.379 15.407 9.963 82 HZ PHE 10 HZ PHE 10 27.564 14.492 8.542 83 HA PRO 11 HA PRO 11 27.937 10.336 17.987 84 HB2 PRO 11 1HB PRO 11 27.164 7.833 16.574 85 HB3 PRO 11 2HB PRO 11 26.539 8.516 18.086 86 HG2 PRO 11 1HG PRO 11 25.124 8.577 15.834 87 HG3 PRO 11 2HG PRO 11 25.063 9.898 17.015 88 HD2 PRO 11 1HD PRO 11 26.480 9.801 14.380 89 HD3 PRO 11 2HD PRO 11 25.674 11.169 15.181 90 HA PRO 12 HA PRO 12 32.071 8.857 17.022 91 HB2 PRO 12 1HB PRO 12 32.487 7.144 19.176 92 HB3 PRO 12 2HB PRO 12 32.768 8.894 19.198 93 HG2 PRO 12 1HG PRO 12 30.457 7.340 20.220 94 HG3 PRO 12 2HG PRO 12 31.232 8.790 20.884 95 HD2 PRO 12 1HD PRO 12 28.875 8.918 19.555 96 HD3 PRO 12 2HD PRO 12 30.075 10.230 19.473 97 H THR 13 H THR 13 29.537 6.542 17.956 98 HA THR 13 HA THR 13 30.678 4.219 16.853 99 HB THR 13 HB THR 13 27.743 4.953 16.905 100 HG1 THR 13 HG1 THR 13 27.797 4.528 18.967 101 HG21 THR 13 1HG2 THR 13 27.588 2.416 17.199 102 HG22 THR 13 2HG2 THR 13 29.279 2.359 16.701 103 HG23 THR 13 3HG2 THR 13 28.055 2.987 15.596 104 H SER 14 H SER 14 28.835 6.856 15.338 105 HA SER 14 HA SER 14 28.556 5.692 12.787 106 HB2 SER 14 1HB SER 14 28.912 8.615 13.488 107 HB3 SER 14 2HB SER 14 28.286 7.986 11.968 108 HG SER 14 HG SER 14 26.426 7.777 12.916 109 H ILE 15 H ILE 15 31.205 7.577 14.228 110 HA ILE 15 HA ILE 15 32.860 7.683 11.952 111 HB ILE 15 HB ILE 15 33.715 7.406 14.848 112 HG12 ILE 15 1HG1 ILE 15 33.294 9.905 13.181 113 HG13 ILE 15 2HG1 ILE 15 32.127 9.301 14.358 114 HG21 ILE 15 1HG2 ILE 15 35.157 8.595 12.458 115 HG22 ILE 15 2HG2 ILE 15 35.518 7.020 13.165 116 HG23 ILE 15 3HG2 ILE 15 35.778 8.489 14.105 117 HD11 ILE 15 1HD1 ILE 15 33.424 10.940 15.514 118 HD12 ILE 15 2HD1 ILE 15 34.936 10.293 14.877 119 HD13 ILE 15 3HD1 ILE 15 34.018 9.375 16.072 120 H LEU 16 H LEU 16 32.334 5.092 14.319 121 HA LEU 16 HA LEU 16 34.353 3.336 13.441 122 HB2 LEU 16 1HB LEU 16 32.565 3.205 15.410 123 HB3 LEU 16 2HB LEU 16 31.673 2.260 14.227 124 HG LEU 16 HG LEU 16 32.973 0.761 15.613 125 HD11 LEU 16 1HD1 LEU 16 33.996 -0.526 13.956 126 HD12 LEU 16 2HD1 LEU 16 34.597 0.888 13.090 127 HD13 LEU 16 3HD1 LEU 16 32.884 0.475 13.022 128 HD21 LEU 16 1HD2 LEU 16 34.693 2.673 16.091 129 HD22 LEU 16 2HD2 LEU 16 35.541 2.016 14.692 130 HD23 LEU 16 3HD2 LEU 16 35.241 0.997 16.101 131 H LEU 17 H LEU 17 31.068 3.907 12.209 132 HA LEU 17 HA LEU 17 31.051 1.875 10.257 133 HB2 LEU 17 1HB LEU 17 29.778 4.613 10.032 134 HB3 LEU 17 2HB LEU 17 29.350 3.180 9.103 135 HG LEU 17 HG LEU 17 29.170 3.380 12.123 136 HD11 LEU 17 1HD1 LEU 17 27.032 3.529 9.975 137 HD12 LEU 17 2HD1 LEU 17 27.512 4.832 11.061 138 HD13 LEU 17 3HD1 LEU 17 26.710 3.399 11.705 139 HD21 LEU 17 1HD2 LEU 17 28.518 1.250 10.087 140 HD22 LEU 17 2HD2 LEU 17 27.683 1.299 11.639 141 HD23 LEU 17 3HD2 LEU 17 29.434 1.095 11.586 142 H LEU 18 H LEU 18 32.432 5.139 10.182 143 HA LEU 18 HA LEU 18 33.207 5.162 7.475 144 HB2 LEU 18 1HB LEU 18 33.329 7.119 9.033 145 HB3 LEU 18 2HB LEU 18 34.752 6.382 9.769 146 HG LEU 18 HG LEU 18 35.765 6.297 7.435 147 HD11 LEU 18 1HD1 LEU 18 33.261 7.892 6.935 148 HD12 LEU 18 2HD1 LEU 18 33.954 6.590 5.969 149 HD13 LEU 18 3HD1 LEU 18 34.707 8.185 5.970 150 HD21 LEU 18 1HD2 LEU 18 36.585 7.948 8.959 151 HD22 LEU 18 2HD2 LEU 18 35.110 8.907 8.821 152 HD23 LEU 18 3HD2 LEU 18 36.233 8.815 7.463 153 H LEU 19 H LEU 19 34.773 3.742 10.320 154 HA LEU 19 HA LEU 19 37.170 2.937 9.084 155 HB2 LEU 19 1HB LEU 19 36.680 2.787 11.537 156 HB3 LEU 19 2HB LEU 19 35.668 1.383 11.198 157 HG LEU 19 HG LEU 19 37.691 0.363 10.031 158 HD11 LEU 19 1HD1 LEU 19 39.074 2.292 9.697 159 HD12 LEU 19 2HD1 LEU 19 39.886 1.314 10.919 160 HD13 LEU 19 3HD1 LEU 19 38.969 2.742 11.400 161 HD21 LEU 19 1HD2 LEU 19 38.794 -0.195 12.260 162 HD22 LEU 19 2HD2 LEU 19 37.054 -0.475 12.190 163 HD23 LEU 19 3HD2 LEU 19 37.686 0.959 13.001 164 H ALA 20 H ALA 20 33.965 1.445 9.090 165 HA ALA 20 HA ALA 20 34.638 -0.963 7.793 166 HB1 ALA 20 1HB ALA 20 32.351 -1.232 7.383 167 HB2 ALA 20 2HB ALA 20 32.082 0.501 7.197 168 HB3 ALA 20 3HB ALA 20 32.373 -0.179 8.798 169 H CYS 21 H CYS 21 33.852 2.237 6.490 170 HA CYS 21 HA CYS 21 33.948 1.574 3.756 171 HB2 CYS 21 1HB CYS 21 34.778 4.174 5.064 172 HB3 CYS 21 2HB CYS 21 34.374 3.951 3.363 173 HG CYS 21 HG CYS 21 32.010 2.972 4.774 174 H ILE 22 H ILE 22 36.533 2.401 6.041 175 HA ILE 22 HA ILE 22 38.634 2.606 4.174 176 HB ILE 22 HB ILE 22 38.818 1.526 6.994 177 HG12 ILE 22 1HG1 ILE 22 37.675 3.692 7.003 178 HG13 ILE 22 2HG1 ILE 22 39.302 3.864 7.648 179 HG21 ILE 22 1HG2 ILE 22 40.904 1.151 6.003 180 HG22 ILE 22 2HG2 ILE 22 41.110 2.742 6.736 181 HG23 ILE 22 3HG2 ILE 22 40.800 2.602 5.006 182 HD11 ILE 22 1HD1 ILE 22 40.065 4.683 5.415 183 HD12 ILE 22 2HD1 ILE 22 38.822 5.710 6.123 184 HD13 ILE 22 3HD1 ILE 22 38.400 4.579 4.840 185 H PHE 23 H PHE 23 37.218 -0.236 5.779 186 HA PHE 23 HA PHE 23 39.085 -2.123 4.853 187 HB2 PHE 23 1HB PHE 23 36.160 -2.359 5.498 188 HB3 PHE 23 2HB PHE 23 37.090 -3.734 4.936 189 HD1 PHE 23 HD1 PHE 23 36.536 -1.371 7.699 190 HD2 PHE 23 HD2 PHE 23 38.818 -4.744 6.336 191 HE1 PHE 23 HE1 PHE 23 37.322 -1.775 10.017 192 HE2 PHE 23 HE2 PHE 23 39.605 -5.148 8.652 193 HZ PHE 23 HZ PHE 23 38.856 -3.664 10.493 194 H LEU 24 H LEU 24 36.185 -0.820 3.245 195 HA LEU 24 HA LEU 24 36.396 -2.357 0.903 196 HB2 LEU 24 1HB LEU 24 35.275 0.384 1.420 197 HB3 LEU 24 2HB LEU 24 35.290 -0.310 -0.200 198 HG LEU 24 HG LEU 24 34.192 -2.379 0.847 199 HD11 LEU 24 1HD1 LEU 24 32.791 -1.569 2.922 200 HD12 LEU 24 2HD1 LEU 24 34.110 -0.418 3.120 201 HD13 LEU 24 3HD1 LEU 24 34.439 -2.149 3.155 202 HD21 LEU 24 1HD2 LEU 24 31.948 -1.325 0.762 203 HD22 LEU 24 2HD2 LEU 24 32.972 -0.773 -0.564 204 HD23 LEU 24 3HD2 LEU 24 32.703 0.266 0.836 205 H ILE 25 H ILE 25 38.069 0.639 1.811 206 HA ILE 25 HA ILE 25 39.369 1.086 -0.636 207 HB ILE 25 HB ILE 25 40.482 1.633 2.127 208 HG12 ILE 25 1HG1 ILE 25 38.864 3.437 0.304 209 HG13 ILE 25 2HG1 ILE 25 38.181 2.574 1.681 210 HG21 ILE 25 1HG2 ILE 25 41.804 3.340 1.014 211 HG22 ILE 25 2HG2 ILE 25 41.027 2.987 -0.529 212 HG23 ILE 25 3HG2 ILE 25 42.097 1.797 0.212 213 HD11 ILE 25 1HD1 ILE 25 38.708 4.708 2.552 214 HD12 ILE 25 2HD1 ILE 25 40.244 4.775 1.688 215 HD13 ILE 25 3HD1 ILE 25 40.054 3.691 3.066 216 H ALA 26 H ALA 26 40.136 -1.175 1.961 217 HA ALA 26 HA ALA 26 42.730 -1.851 1.101 218 HB1 ALA 26 1HB ALA 26 42.612 -3.664 2.593 219 HB2 ALA 26 2HB ALA 26 40.866 -3.822 2.403 220 HB3 ALA 26 3HB ALA 26 41.536 -2.460 3.303 221 H ILE 27 H ILE 27 39.644 -3.586 0.504 222 HA ILE 27 HA ILE 27 40.786 -5.493 -1.231 223 HB ILE 27 HB ILE 27 38.551 -5.739 -0.216 224 HG12 ILE 27 1HG1 ILE 27 38.331 -5.808 -3.228 225 HG13 ILE 27 2HG1 ILE 27 39.351 -6.937 -2.335 226 HG21 ILE 27 1HG2 ILE 27 37.632 -3.529 -0.450 227 HG22 ILE 27 2HG2 ILE 27 36.631 -4.620 -1.405 228 HG23 ILE 27 3HG2 ILE 27 37.809 -3.580 -2.205 229 HD11 ILE 27 1HD1 ILE 27 37.441 -7.742 -1.065 230 HD12 ILE 27 2HD1 ILE 27 37.059 -7.838 -2.785 231 HD13 ILE 27 3HD1 ILE 27 36.395 -6.530 -1.805 232 H LEU 28 H LEU 28 39.633 -2.209 -1.853 233 HA LEU 28 HA LEU 28 39.718 -2.273 -4.665 234 HB2 LEU 28 1HB LEU 28 38.816 -0.395 -3.299 235 HB3 LEU 28 2HB LEU 28 40.469 0.043 -2.867 236 HG LEU 28 HG LEU 28 40.965 0.216 -5.346 237 HD11 LEU 28 1HD1 LEU 28 39.241 -1.035 -6.367 238 HD12 LEU 28 2HD1 LEU 28 38.797 0.640 -6.699 239 HD13 LEU 28 3HD1 LEU 28 37.986 -0.248 -5.409 240 HD21 LEU 28 1HD2 LEU 28 40.634 2.250 -4.109 241 HD22 LEU 28 2HD2 LEU 28 38.889 2.004 -4.054 242 HD23 LEU 28 3HD2 LEU 28 39.675 2.399 -5.582 243 H ALA 29 H ALA 29 42.299 -1.839 -2.274 244 HA ALA 29 HA ALA 29 44.383 -1.218 -4.053 245 HB1 ALA 29 1HB ALA 29 44.511 -1.117 -1.552 246 HB2 ALA 29 2HB ALA 29 45.886 -1.926 -2.302 247 HB3 ALA 29 3HB ALA 29 44.615 -2.877 -1.535 248 H ALA 30 H ALA 30 43.075 -4.341 -3.012 249 HA ALA 30 HA ALA 30 44.939 -5.988 -4.338 250 HB1 ALA 30 1HB ALA 30 43.167 -7.717 -4.281 251 HB2 ALA 30 2HB ALA 30 42.001 -6.483 -3.803 252 HB3 ALA 30 3HB ALA 30 43.340 -6.893 -2.731 253 H SER 31 H SER 31 41.930 -4.495 -5.488 254 HA SER 31 HA SER 31 41.882 -5.623 -8.053 255 HB2 SER 31 1HB SER 31 40.053 -4.255 -7.044 256 HB3 SER 31 2HB SER 31 41.035 -2.818 -7.310 257 HG SER 31 HG SER 31 39.965 -2.906 -9.159 258 H ALA 32 H ALA 32 43.655 -2.797 -6.833 259 HA ALA 32 HA ALA 32 44.627 -1.884 -9.308 260 HB1 ALA 32 1HB ALA 32 46.434 -0.827 -7.983 261 HB2 ALA 32 2HB ALA 32 45.928 -1.765 -6.576 262 HB3 ALA 32 3HB ALA 32 44.844 -0.559 -7.269 263 H LEU 33 H LEU 33 45.896 -4.323 -7.056 264 HA LEU 33 HA LEU 33 48.313 -4.834 -8.413 265 HB2 LEU 33 1HB LEU 33 46.613 -6.787 -6.843 266 HB3 LEU 33 2HB LEU 33 48.318 -6.987 -7.246 267 HG LEU 33 HG LEU 33 47.196 -4.699 -5.601 268 HD11 LEU 33 1HD1 LEU 33 47.002 -6.744 -4.328 269 HD12 LEU 33 2HD1 LEU 33 48.415 -5.875 -3.729 270 HD13 LEU 33 3HD1 LEU 33 48.620 -7.254 -4.809 271 HD21 LEU 33 1HD2 LEU 33 49.205 -3.952 -6.617 272 HD22 LEU 33 2HD2 LEU 33 49.969 -5.534 -6.463 273 HD23 LEU 33 3HD2 LEU 33 49.717 -4.534 -5.034 274 H TRP 34 H TRP 34 45.045 -6.153 -8.904 275 HA TRP 34 HA TRP 34 45.714 -7.986 -10.938 276 HB2 TRP 34 1HB TRP 34 43.203 -6.441 -10.373 277 HB3 TRP 34 2HB TRP 34 43.332 -7.500 -11.762 278 HD1 TRP 34 HD1 TRP 34 42.337 -7.504 -8.251 279 HE1 TRP 34 HE1 TRP 34 42.133 -9.909 -7.347 280 HE3 TRP 34 HE3 TRP 34 44.707 -10.054 -11.986 281 HZ2 TRP 34 HZ2 TRP 34 42.880 -12.567 -8.106 282 HZ3 TRP 34 HZ3 TRP 34 44.948 -12.515 -11.871 283 HH2 TRP 34 HH2 TRP 34 44.039 -13.776 -9.941 284 H ALA 35 H ALA 35 45.258 -4.493 -11.055 285 HA ALA 35 HA ALA 35 45.269 -4.168 -13.850 286 HB1 ALA 35 1HB ALA 35 44.944 -2.412 -11.954 287 HB2 ALA 35 2HB ALA 35 45.718 -1.909 -13.456 288 HB3 ALA 35 3HB ALA 35 46.698 -2.251 -12.031 289 H ALA 36 H ALA 36 47.943 -4.434 -11.538 290 HA ALA 36 HA ALA 36 50.064 -4.257 -13.385 291 HB1 ALA 36 1HB ALA 36 50.052 -4.417 -10.762 292 HB2 ALA 36 2HB ALA 36 51.432 -5.018 -11.680 293 HB3 ALA 36 3HB ALA 36 50.222 -6.146 -11.069 294 H ALA 37 H ALA 37 48.050 -7.005 -12.434 295 HA ALA 37 HA ALA 37 49.423 -9.048 -13.752 296 HB1 ALA 37 1HB ALA 37 47.321 -9.100 -12.196 297 HB2 ALA 37 2HB ALA 37 47.533 -10.350 -13.421 298 HB3 ALA 37 3HB ALA 37 46.428 -9.007 -13.715 299 H TRP 38 H TRP 38 47.178 -6.659 -15.060 300 HA TRP 38 HA TRP 38 46.688 -7.756 -17.559 301 HB2 TRP 38 1HB TRP 38 45.713 -5.651 -16.618 302 HB3 TRP 38 2HB TRP 38 47.213 -4.837 -17.020 303 HD1 TRP 38 HD1 TRP 38 44.138 -6.447 -18.612 304 HE1 TRP 38 HE1 TRP 38 43.940 -5.623 -21.045 305 HE3 TRP 38 HE3 TRP 38 48.541 -3.897 -19.041 306 HZ2 TRP 38 HZ2 TRP 38 45.450 -4.082 -22.929 307 HZ3 TRP 38 HZ3 TRP 38 49.135 -2.761 -21.159 308 HH2 TRP 38 HH2 TRP 38 47.599 -2.850 -23.102 309 H HIS 39 H HIS 39 49.668 -6.309 -16.394 310 HA HIS 39 HA HIS 39 50.960 -5.800 -18.823 311 HB2 HIS 39 1HB HIS 39 52.059 -6.760 -16.183 312 HB3 HIS 39 2HB HIS 39 53.064 -6.267 -17.532 313 HD1 HIS 39 HD1 HIS 39 52.297 -3.681 -18.429 314 HD2 HIS 39 HD2 HIS 39 51.649 -4.694 -14.437 315 HE1 HIS 39 HE1 HIS 39 52.049 -1.500 -17.169 316 H GLY 40 H GLY 40 52.219 -7.043 -20.195 317 HA2 GLY 40 1HA GLY 40 51.555 -9.712 -20.677 318 HA3 GLY 40 2HA GLY 40 53.016 -8.922 -21.266 319 H GLN 41 H GLN 41 52.631 -11.683 -20.237 320 HA GLN 41 HA GLN 41 53.518 -12.012 -17.611 321 HB2 GLN 41 1HB GLN 41 52.607 -13.806 -19.094 322 HB3 GLN 41 2HB GLN 41 54.157 -13.834 -19.936 323 HG2 GLN 41 1HG GLN 41 55.310 -14.385 -17.842 324 HG3 GLN 41 2HG GLN 41 53.785 -14.309 -16.965 325 HE21 GLN 41 1HE2 GLN 41 55.117 -16.695 -16.767 326 HE22 GLN 41 2HE2 GLN 41 54.375 -17.889 -17.719 327 H LYS 42 H LYS 42 55.340 -11.211 -20.476 328 HA LYS 42 HA LYS 42 57.602 -11.139 -20.914 329 HB2 LYS 42 1HB LYS 42 58.609 -9.267 -19.685 330 HB3 LYS 42 2HB LYS 42 56.973 -8.918 -20.229 331 HG2 LYS 42 1HG LYS 42 56.177 -9.588 -17.908 332 HG3 LYS 42 2HG LYS 42 57.871 -9.615 -17.421 333 HD2 LYS 42 1HD LYS 42 56.659 -7.211 -18.778 334 HD3 LYS 42 2HD LYS 42 56.570 -7.428 -17.030 335 HE2 LYS 42 1HE LYS 42 58.903 -7.304 -16.769 336 HE3 LYS 42 2HE LYS 42 59.206 -7.663 -18.468 337 HZ1 LYS 42 1HZ LYS 42 58.348 -5.534 -19.086 338 HZ2 LYS 42 2HZ LYS 42 59.530 -5.303 -17.887 339 HZ3 LYS 42 3HZ LYS 42 57.881 -5.194 -17.491 340 HA PRO 43 HA PRO 43 58.839 -14.145 -17.452 341 HB2 PRO 43 1HB PRO 43 59.830 -15.687 -19.800 342 HB3 PRO 43 2HB PRO 43 58.944 -16.249 -18.368 343 HG2 PRO 43 1HG PRO 43 57.777 -16.036 -20.755 344 HG3 PRO 43 2HG PRO 43 56.906 -15.709 -19.246 345 HD2 PRO 43 1HD PRO 43 57.934 -13.779 -21.276 346 HD3 PRO 43 2HD PRO 43 56.503 -13.670 -20.228 347 H GLY 44 H GLY 44 60.914 -14.308 -16.626 348 HA2 GLY 44 1HA GLY 44 62.801 -12.390 -17.366 349 HA3 GLY 44 2HA GLY 44 63.131 -13.773 -16.328 350 H THR 45 H THR 45 64.705 -12.441 -18.514 351 HA THR 45 HA THR 45 64.885 -14.038 -20.802 352 HB THR 45 HB THR 45 67.174 -12.652 -19.388 353 HG1 THR 45 HG1 THR 45 65.863 -11.023 -19.746 354 HG21 THR 45 1HG2 THR 45 68.010 -14.046 -21.138 355 HG22 THR 45 2HG2 THR 45 67.938 -12.417 -21.810 356 HG23 THR 45 3HG2 THR 45 66.692 -13.595 -22.220 357 H HIS 46 H HIS 46 66.075 -15.852 -21.334 358 HA HIS 46 HA HIS 46 66.403 -17.852 -19.404 359 HB2 HIS 46 1HB HIS 46 66.186 -18.253 -21.837 360 HB3 HIS 46 2HB HIS 46 67.797 -17.603 -22.072 361 HD1 HIS 46 HD1 HIS 46 66.183 -20.375 -19.993 362 HD2 HIS 46 HD2 HIS 46 69.687 -19.601 -22.115 363 HE1 HIS 46 HE1 HIS 46 67.571 -22.489 -19.877
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