NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8809 | 1mvz | 5617 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 -5.423 25.000 2.230 2 2H THR 1 2H THR 1 -4.461 24.081 3.210 3 3H THR 1 3H THR 1 -4.152 25.692 3.014 4 HA THR 1 HA THR 1 -3.967 23.691 0.894 5 HB THR 1 HB THR 1 -2.853 25.542 -0.345 6 HG1 THR 1 HG1 THR 1 -2.436 26.862 1.491 7 1HG2 THR 1 1HG2 THR 1 -4.902 26.670 -1.027 8 2HG2 THR 1 2HG2 THR 1 -5.223 24.944 -0.781 9 3HG2 THR 1 3HG2 THR 1 -5.745 26.131 0.437 10 H LYS 2 H LYS 2 -2.306 22.331 1.347 11 HA LYS 2 HA LYS 2 0.328 23.417 1.736 12 1HB LYS 2 1HB LYS 2 -0.366 23.465 4.083 13 2HB LYS 2 2HB LYS 2 -0.940 21.798 3.992 14 1HG LYS 2 1HG LYS 2 1.224 22.007 5.148 15 2HG LYS 2 2HG LYS 2 1.346 20.969 3.723 16 1HD LYS 2 1HD LYS 2 2.374 22.806 2.436 17 2HD LYS 2 2HD LYS 2 2.146 23.916 3.808 18 1HE LYS 2 1HE LYS 2 3.677 22.509 5.169 19 2HE LYS 2 2HE LYS 2 3.866 21.390 3.804 20 1HZ LYS 2 1HZ LYS 2 5.667 22.921 3.903 21 2HZ LYS 2 2HZ LYS 2 4.787 23.211 2.540 22 3HZ LYS 2 3HZ LYS 2 4.653 24.220 3.836 23 H SER 3 H SER 3 -1.566 20.380 2.205 24 HA SER 3 HA SER 3 -0.327 19.066 -0.047 25 1HB SER 3 1HB SER 3 0.778 17.268 1.275 26 2HB SER 3 2HB SER 3 1.525 18.836 1.577 27 HG SER 3 HG SER 3 0.229 18.982 3.473 28 H THR 4 H THR 4 -0.947 16.474 0.411 29 HA THR 4 HA THR 4 -3.558 16.177 1.652 30 HB THR 4 HB THR 4 -4.087 17.291 -0.521 31 HG1 THR 4 HG1 THR 4 -5.556 15.860 0.384 32 1HG2 THR 4 1HG2 THR 4 -2.213 16.399 -1.890 33 2HG2 THR 4 2HG2 THR 4 -2.934 14.776 -1.814 34 3HG2 THR 4 3HG2 THR 4 -3.795 16.093 -2.627 35 H THR 5 H THR 5 -4.363 13.856 0.480 36 HA THR 5 HA THR 5 -2.502 11.946 1.658 37 HB THR 5 HB THR 5 -4.384 10.365 1.185 38 HG1 THR 5 HG1 THR 5 -5.187 11.539 -0.630 39 1HG2 THR 5 1HG2 THR 5 -4.285 11.577 3.337 40 2HG2 THR 5 2HG2 THR 5 -5.177 12.941 2.626 41 3HG2 THR 5 3HG2 THR 5 -5.961 11.360 2.796 42 H THR 6 H THR 6 -0.785 12.321 0.088 43 HA THR 6 HA THR 6 -1.014 11.457 -2.678 44 HB THR 6 HB THR 6 1.428 11.736 -2.630 45 HG1 THR 6 HG1 THR 6 1.070 12.384 0.107 46 1HG2 THR 6 1HG2 THR 6 -0.033 14.040 -1.278 47 2HG2 THR 6 2HG2 THR 6 1.497 14.125 -2.167 48 3HG2 THR 6 3HG2 THR 6 0.002 13.698 -3.021 49 H ALA 7 H ALA 7 0.858 9.877 -3.333 50 HA ALA 7 HA ALA 7 0.113 7.236 -2.593 51 1HB ALA 7 1HB ALA 7 2.599 8.239 -4.008 52 2HB ALA 7 2HB ALA 7 2.070 6.546 -3.888 53 3HB ALA 7 3HB ALA 7 1.064 7.729 -4.756 54 H CYS 8 H CYS 8 0.411 6.410 -0.656 55 HA CYS 8 HA CYS 8 2.847 7.008 0.995 56 1HB CYS 8 1HB CYS 8 1.391 7.000 2.870 57 2HB CYS 8 2HB CYS 8 0.674 8.062 1.693 58 H CYS 9 H CYS 9 2.480 5.363 2.927 59 HA CYS 9 HA CYS 9 1.572 2.728 2.351 60 1HB CYS 9 1HB CYS 9 3.858 2.884 1.083 61 2HB CYS 9 2HB CYS 9 4.586 2.913 2.677 62 H ASP 10 H ASP 10 2.497 1.289 4.360 63 HA ASP 10 HA ASP 10 3.125 3.008 6.708 64 1HB ASP 10 1HB ASP 10 0.742 2.637 6.930 65 2HB ASP 10 2HB ASP 10 0.921 0.922 6.537 66 HD2 ASP 10 HD2 ASP 10 0.720 0.435 9.949 67 H PHE 11 H PHE 11 2.444 -0.476 6.203 68 HA PHE 11 HA PHE 11 5.197 -1.166 7.029 69 1HB PHE 11 1HB PHE 11 2.985 -3.022 6.174 70 2HB PHE 11 2HB PHE 11 4.376 -3.380 7.189 71 HD1 PHE 11 HD1 PHE 11 0.941 -3.089 7.230 72 HD2 PHE 11 HD2 PHE 11 4.372 -1.647 9.411 73 HE1 PHE 11 HE1 PHE 11 -0.465 -2.790 9.226 74 HE2 PHE 11 HE2 PHE 11 2.959 -1.348 11.419 75 HZ PHE 11 HZ PHE 11 0.533 -1.917 11.342 76 H CYS 12 H CYS 12 6.688 -1.120 5.358 77 HA CYS 12 HA CYS 12 5.785 -1.886 2.634 78 1HB CYS 12 1HB CYS 12 7.355 -0.379 1.728 79 2HB CYS 12 2HB CYS 12 6.225 0.454 2.788 80 HA PRO 13 HA PRO 13 9.151 -4.849 3.793 81 1HB PRO 13 1HB PRO 13 7.889 -7.212 3.354 82 2HB PRO 13 2HB PRO 13 7.648 -6.276 4.858 83 1HG PRO 13 1HG PRO 13 5.884 -6.269 2.392 84 2HG PRO 13 2HG PRO 13 5.384 -6.512 4.093 85 1HD PRO 13 1HD PRO 13 5.236 -4.077 2.869 86 2HD PRO 13 2HD PRO 13 5.675 -4.233 4.599 87 H CYS 14 H CYS 14 10.316 -6.286 2.303 88 HA CYS 14 HA CYS 14 9.523 -6.171 -0.530 89 1HB CYS 14 1HB CYS 14 12.330 -5.549 0.469 90 2HB CYS 14 2HB CYS 14 11.718 -5.381 -1.168 91 H THR 15 H THR 15 10.689 -7.667 -1.885 92 HA THR 15 HA THR 15 11.418 -10.180 -0.574 93 HB THR 15 HB THR 15 11.713 -10.947 -2.895 94 HG1 THR 15 HG1 THR 15 12.435 -9.207 -3.965 95 1HG2 THR 15 1HG2 THR 15 9.118 -9.371 -2.574 96 2HG2 THR 15 2HG2 THR 15 9.407 -10.728 -3.677 97 3HG2 THR 15 3HG2 THR 15 9.438 -10.996 -1.923 98 H ARG 16 H ARG 16 13.537 -11.135 -0.939 99 HA ARG 16 HA ARG 16 15.759 -9.129 -1.135 100 1HB ARG 16 1HB ARG 16 15.635 -11.850 0.208 101 2HB ARG 16 2HB ARG 16 17.053 -10.785 0.112 102 1HG ARG 16 1HG ARG 16 15.830 -9.022 1.362 103 2HG ARG 16 2HG ARG 16 14.413 -10.081 1.473 104 1HD ARG 16 1HD ARG 16 15.613 -10.233 3.563 105 2HD ARG 16 2HD ARG 16 15.751 -11.764 2.703 106 HE ARG 16 HE ARG 16 18.015 -11.497 2.506 107 1HH1 ARG 16 1HH1 ARG 16 16.643 -8.345 3.413 108 2HH1 ARG 16 2HH1 ARG 16 18.195 -7.646 3.796 109 1HH2 ARG 16 1HH2 ARG 16 20.028 -10.570 3.024 110 2HH2 ARG 16 2HH2 ARG 16 20.129 -8.915 3.565 111 H SER 17 H SER 17 14.384 -10.152 -3.445 112 HA SER 17 HA SER 17 16.151 -12.089 -4.743 113 1HB SER 17 1HB SER 17 14.480 -11.496 -6.647 114 2HB SER 17 2HB SER 17 13.870 -12.353 -5.233 115 HG SER 17 HG SER 17 12.553 -10.575 -5.826 116 H ILE 18 H ILE 18 16.562 -11.354 -7.106 117 HA ILE 18 HA ILE 18 17.840 -8.668 -7.155 118 HB ILE 18 HB ILE 18 19.399 -10.423 -6.666 119 1HG1 ILE 18 1HG1 ILE 18 20.189 -8.406 -7.685 120 2HG1 ILE 18 2HG1 ILE 18 21.146 -9.805 -8.164 121 1HG2 ILE 18 1HG2 ILE 18 20.149 -12.101 -8.143 122 2HG2 ILE 18 2HG2 ILE 18 18.412 -12.318 -7.909 123 3HG2 ILE 18 3HG2 ILE 18 19.032 -11.632 -9.421 124 1HD1 ILE 18 1HD1 ILE 18 20.888 -8.374 -10.064 125 2HD1 ILE 18 2HD1 ILE 18 19.924 -9.824 -10.378 126 3HD1 ILE 18 3HD1 ILE 18 19.133 -8.303 -9.885 127 HA PRO 19 HA PRO 19 17.208 -6.840 -8.005 128 1HB PRO 19 1HB PRO 19 15.179 -5.262 -8.808 129 2HB PRO 19 2HB PRO 19 16.603 -5.579 -9.841 130 1HG PRO 19 1HG PRO 19 13.909 -6.969 -9.949 131 2HG PRO 19 2HG PRO 19 14.823 -6.242 -11.306 132 1HD PRO 19 1HD PRO 19 14.953 -8.910 -10.721 133 2HD PRO 19 2HD PRO 19 16.384 -8.024 -11.321 134 HA PRO 20 HA PRO 20 14.054 -7.741 -4.836 135 1HB PRO 20 1HB PRO 20 14.186 -5.571 -3.245 136 2HB PRO 20 2HB PRO 20 15.565 -6.702 -3.405 137 1HG PRO 20 1HG PRO 20 15.165 -4.085 -4.901 138 2HG PRO 20 2HG PRO 20 16.602 -4.592 -3.968 139 1HD PRO 20 1HD PRO 20 16.448 -4.944 -6.667 140 2HD PRO 20 2HD PRO 20 17.217 -6.179 -5.623 141 H GLN 21 H GLN 21 11.844 -7.423 -4.655 142 HA GLN 21 HA GLN 21 10.584 -5.040 -5.953 143 1HB GLN 21 1HB GLN 21 9.633 -7.906 -5.538 144 2HB GLN 21 2HB GLN 21 8.575 -6.557 -5.918 145 1HG GLN 21 1HG GLN 21 8.958 -6.875 -8.093 146 2HG GLN 21 2HG GLN 21 10.631 -6.364 -7.860 147 1HE2 GLN 21 1HE2 GLN 21 12.179 -8.141 -7.084 148 2HE2 GLN 21 2HE2 GLN 21 11.934 -9.735 -7.758 149 H CYS 22 H CYS 22 9.675 -3.688 -4.554 150 HA CYS 22 HA CYS 22 9.102 -4.535 -1.756 151 1HB CYS 22 1HB CYS 22 9.509 -1.809 -2.985 152 2HB CYS 22 2HB CYS 22 9.018 -2.100 -1.318 153 H GLN 23 H GLN 23 7.120 -4.023 -0.842 154 HA GLN 23 HA GLN 23 4.963 -3.040 -2.590 155 1HB GLN 23 1HB GLN 23 3.577 -4.963 -1.841 156 2HB GLN 23 2HB GLN 23 4.944 -5.490 -2.822 157 1HG GLN 23 1HG GLN 23 6.154 -6.240 -0.840 158 2HG GLN 23 2HG GLN 23 4.957 -5.502 0.236 159 1HE2 GLN 23 1HE2 GLN 23 4.633 -7.607 -2.700 160 2HE2 GLN 23 2HE2 GLN 23 3.700 -8.842 -1.886 161 H CYS 24 H CYS 24 2.883 -3.094 -1.131 162 HA CYS 24 HA CYS 24 3.524 -2.098 1.605 163 1HB CYS 24 1HB CYS 24 1.261 -1.380 -0.299 164 2HB CYS 24 2HB CYS 24 1.264 -0.975 1.425 165 H THR 25 H THR 25 2.505 -3.152 3.266 166 HA THR 25 HA THR 25 0.346 -5.126 2.580 167 HB THR 25 HB THR 25 1.010 -6.394 4.581 168 HG1 THR 25 HG1 THR 25 2.116 -4.858 5.727 169 1HG2 THR 25 1HG2 THR 25 1.814 -7.095 2.368 170 2HG2 THR 25 2HG2 THR 25 3.284 -6.114 2.589 171 3HG2 THR 25 3HG2 THR 25 2.960 -7.494 3.664 172 H ASP 26 H ASP 26 0.099 -2.274 2.978 173 HA ASP 26 HA ASP 26 -0.831 -1.934 5.702 174 1HB ASP 26 1HB ASP 26 0.248 -0.090 4.552 175 2HB ASP 26 2HB ASP 26 -1.030 -0.080 3.317 176 HD2 ASP 26 HD2 ASP 26 -2.186 0.966 7.094 177 H VAL 27 H VAL 27 -2.895 -1.439 6.269 178 HA VAL 27 HA VAL 27 -5.179 -2.139 4.532 179 HB VAL 27 HB VAL 27 -4.583 -3.506 7.200 180 1HG1 VAL 27 1HG1 VAL 27 -7.010 -3.487 5.366 181 2HG1 VAL 27 2HG1 VAL 27 -6.661 -4.881 6.396 182 3HG1 VAL 27 3HG1 VAL 27 -6.921 -3.281 7.112 183 1HG2 VAL 27 1HG2 VAL 27 -4.555 -5.611 5.809 184 2HG2 VAL 27 2HG2 VAL 27 -4.508 -4.588 4.359 185 3HG2 VAL 27 3HG2 VAL 27 -3.187 -4.539 5.531 186 H ARG 28 H ARG 28 -6.673 -0.568 4.844 187 HA ARG 28 HA ARG 28 -7.017 0.946 7.328 188 1HB ARG 28 1HB ARG 28 -4.906 1.642 5.444 189 2HB ARG 28 2HB ARG 28 -6.088 2.928 5.491 190 1HG ARG 28 1HG ARG 28 -5.924 3.048 7.944 191 2HG ARG 28 2HG ARG 28 -4.791 1.691 7.958 192 1HD ARG 28 1HD ARG 28 -3.642 3.812 8.223 193 2HD ARG 28 2HD ARG 28 -3.108 3.001 6.755 194 HE ARG 28 HE ARG 28 -4.659 5.493 7.063 195 1HH1 ARG 28 1HH1 ARG 28 -3.421 3.111 4.669 196 2HH1 ARG 28 2HH1 ARG 28 -3.683 4.207 3.341 197 1HH2 ARG 28 1HH2 ARG 28 -4.928 6.844 5.312 198 2HH2 ARG 28 2HH2 ARG 28 -4.612 6.283 3.684 199 H GLU 29 H GLU 29 -7.963 3.304 5.786 200 HA GLU 29 HA GLU 29 -10.449 2.351 4.656 201 1HB GLU 29 1HB GLU 29 -9.841 4.664 5.774 202 2HB GLU 29 2HB GLU 29 -9.259 5.096 4.169 203 1HG GLU 29 1HG GLU 29 -11.605 4.277 3.347 204 2HG GLU 29 2HG GLU 29 -12.052 4.227 5.050 205 HE2 GLU 29 HE2 GLU 29 -11.992 7.755 5.414 206 H LYS 30 H LYS 30 -9.924 4.389 2.257 207 HA LYS 30 HA LYS 30 -9.430 2.275 0.421 208 1HB LYS 30 1HB LYS 30 -9.396 5.237 -0.158 209 2HB LYS 30 2HB LYS 30 -9.583 3.896 -1.280 210 1HG LYS 30 1HG LYS 30 -11.683 3.207 0.030 211 2HG LYS 30 2HG LYS 30 -11.545 4.747 0.882 212 1HD LYS 30 1HD LYS 30 -13.157 4.918 -0.932 213 2HD LYS 30 2HD LYS 30 -11.792 6.011 -1.178 214 1HE LYS 30 1HE LYS 30 -12.558 4.894 -3.266 215 2HE LYS 30 2HE LYS 30 -10.864 4.569 -2.918 216 1HZ LYS 30 1HZ LYS 30 -13.102 2.753 -2.325 217 2HZ LYS 30 2HZ LYS 30 -12.056 2.613 -3.590 218 3HZ LYS 30 3HZ LYS 30 -11.507 2.441 -2.046 219 H CYS 31 H CYS 31 -7.865 2.234 -1.232 220 HA CYS 31 HA CYS 31 -5.172 2.288 -0.234 221 1HB CYS 31 1HB CYS 31 -4.688 1.386 -2.529 222 2HB CYS 31 2HB CYS 31 -5.778 0.464 -1.529 223 H HIS 32 H HIS 32 -3.376 3.193 -1.427 224 HA HIS 32 HA HIS 32 -3.866 6.014 -1.618 225 1HB HIS 32 1HB HIS 32 -1.532 6.326 -1.497 226 2HB HIS 32 2HB HIS 32 -2.065 5.150 -0.353 227 HD1 HIS 32 HD1 HIS 32 -0.004 5.346 -3.576 228 HD2 HIS 32 HD2 HIS 32 -0.909 2.745 -0.402 229 HE1 HIS 32 HE1 HIS 32 1.664 3.408 -3.683 230 HE2 HIS 32 HE2 HIS 32 1.095 1.780 -1.805 231 H SER 33 H SER 33 -2.308 7.244 -3.113 232 HA SER 33 HA SER 33 -3.568 7.077 -5.691 233 1HB SER 33 1HB SER 33 -3.164 9.170 -4.399 234 2HB SER 33 2HB SER 33 -1.434 8.975 -4.745 235 HG SER 33 HG SER 33 -2.054 8.977 -6.996 236 H ALA 34 H ALA 34 -1.414 4.930 -4.977 237 HA ALA 34 HA ALA 34 -0.397 4.829 -7.699 238 1HB ALA 34 1HB ALA 34 1.372 6.228 -6.687 239 2HB ALA 34 2HB ALA 34 1.636 4.987 -5.443 240 3HB ALA 34 3HB ALA 34 1.974 4.629 -7.146 241 H CYS 35 H CYS 35 -2.163 3.196 -7.062 242 HA CYS 35 HA CYS 35 -0.828 0.680 -6.225 243 1HB CYS 35 1HB CYS 35 -3.673 1.528 -5.649 244 2HB CYS 35 2HB CYS 35 -2.958 -0.048 -5.266 245 H LYS 36 H LYS 36 -0.788 -0.824 -7.692 246 HA LYS 36 HA LYS 36 -2.501 -0.691 -10.120 247 1HB LYS 36 1HB LYS 36 0.130 -2.073 -9.402 248 2HB LYS 36 2HB LYS 36 -0.775 -2.413 -10.867 249 1HG LYS 36 1HG LYS 36 0.352 0.326 -10.122 250 2HG LYS 36 2HG LYS 36 1.126 -0.851 -11.195 251 1HD LYS 36 1HD LYS 36 -0.893 -0.734 -12.714 252 2HD LYS 36 2HD LYS 36 -1.557 0.531 -11.666 253 1HE LYS 36 1HE LYS 36 -0.537 1.617 -13.520 254 2HE LYS 36 2HE LYS 36 0.455 1.938 -12.089 255 1HZ LYS 36 1HZ LYS 36 1.967 0.244 -12.846 256 2HZ LYS 36 2HZ LYS 36 1.011 -0.092 -14.147 257 3HZ LYS 36 3HZ LYS 36 1.750 1.374 -14.023 258 H SER 37 H SER 37 -1.410 -2.663 -7.409 259 HA SER 37 HA SER 37 -3.845 -4.375 -7.713 260 1HB SER 37 1HB SER 37 -1.677 -5.587 -7.538 261 2HB SER 37 2HB SER 37 -1.425 -4.834 -5.960 262 HG SER 37 HG SER 37 -3.561 -6.536 -6.740 263 H CYS 38 H CYS 38 -5.411 -3.481 -6.649 264 HA CYS 38 HA CYS 38 -5.076 -2.680 -3.830 265 1HB CYS 38 1HB CYS 38 -5.263 -0.574 -4.976 266 2HB CYS 38 2HB CYS 38 -6.635 -1.139 -5.932 267 H LEU 39 H LEU 39 -6.548 -3.680 -2.586 268 HA LEU 39 HA LEU 39 -9.060 -4.700 -3.631 269 1HB LEU 39 1HB LEU 39 -7.302 -6.381 -4.395 270 2HB LEU 39 2HB LEU 39 -6.938 -6.684 -2.698 271 HG LEU 39 HG LEU 39 -9.279 -7.530 -2.376 272 1HD1 LEU 39 1HD1 LEU 39 -10.592 -8.057 -4.482 273 2HD1 LEU 39 2HD1 LEU 39 -10.548 -6.339 -4.079 274 3HD1 LEU 39 3HD1 LEU 39 -9.502 -6.975 -5.369 275 1HD2 LEU 39 1HD2 LEU 39 -7.433 -9.059 -2.940 276 2HD2 LEU 39 2HD2 LEU 39 -8.971 -9.609 -3.627 277 3HD2 LEU 39 3HD2 LEU 39 -7.765 -8.826 -4.671 278 H CYS 40 H CYS 40 -10.378 -5.640 -1.883 279 HA CYS 40 HA CYS 40 -9.548 -4.657 0.809 280 1HB CYS 40 1HB CYS 40 -12.362 -4.656 -0.311 281 2HB CYS 40 2HB CYS 40 -11.779 -3.817 1.122 282 H THR 41 H THR 41 -10.842 -5.595 2.595 283 HA THR 41 HA THR 41 -11.293 -8.509 2.135 284 HB THR 41 HB THR 41 -9.890 -7.967 4.038 285 HG1 THR 41 HG1 THR 41 -11.089 -9.229 5.482 286 1HG2 THR 41 1HG2 THR 41 -10.880 -6.976 6.076 287 2HG2 THR 41 2HG2 THR 41 -10.788 -5.807 4.756 288 3HG2 THR 41 3HG2 THR 41 -12.348 -6.557 5.174 289 H ARG 42 H ARG 42 -13.244 -9.462 2.653 290 HA ARG 42 HA ARG 42 -15.636 -7.855 2.157 291 1HB ARG 42 1HB ARG 42 -16.724 -9.996 1.910 292 2HB ARG 42 2HB ARG 42 -15.202 -9.988 1.004 293 1HG ARG 42 1HG ARG 42 -14.131 -11.208 2.955 294 2HG ARG 42 2HG ARG 42 -15.729 -11.276 3.720 295 1HD ARG 42 1HD ARG 42 -15.248 -13.372 2.638 296 2HD ARG 42 2HD ARG 42 -16.587 -12.595 1.804 297 HE ARG 42 HE ARG 42 -13.747 -12.896 0.904 298 1HH1 ARG 42 1HH1 ARG 42 -17.066 -11.952 -0.008 299 2HH1 ARG 42 2HH1 ARG 42 -16.674 -11.829 -1.701 300 1HH2 ARG 42 1HH2 ARG 42 -13.276 -12.703 -1.297 301 2HH2 ARG 42 2HH2 ARG 42 -14.518 -12.252 -2.436 302 H SER 43 H SER 43 -13.894 -8.411 4.907 303 HA SER 43 HA SER 43 -15.782 -9.401 6.739 304 1HB SER 43 1HB SER 43 -13.302 -7.688 7.199 305 2HB SER 43 2HB SER 43 -14.088 -8.745 8.379 306 HG SER 43 HG SER 43 -12.872 -9.571 5.958 307 H PHE 44 H PHE 44 -16.007 -7.926 8.869 308 HA PHE 44 HA PHE 44 -17.228 -5.315 8.111 309 1HB PHE 44 1HB PHE 44 -18.893 -7.007 8.669 310 2HB PHE 44 2HB PHE 44 -18.128 -7.275 10.233 311 HD1 PHE 44 HD1 PHE 44 -18.532 -5.739 12.081 312 HD2 PHE 44 HD2 PHE 44 -19.936 -4.796 8.113 313 HE1 PHE 44 HE1 PHE 44 -19.870 -3.863 12.996 314 HE2 PHE 44 HE2 PHE 44 -21.263 -2.914 9.032 315 HZ PHE 44 HZ PHE 44 -21.222 -2.436 11.473 316 HA PRO 45 HA PRO 45 -16.718 -3.243 8.413 317 1HB PRO 45 1HB PRO 45 -14.705 -1.428 8.285 318 2HB PRO 45 2HB PRO 45 -15.895 -1.476 9.618 319 1HG PRO 45 1HG PRO 45 -13.112 -2.682 9.596 320 2HG PRO 45 2HG PRO 45 -13.837 -1.628 10.842 321 1HD PRO 45 1HD PRO 45 -13.817 -4.356 11.056 322 2HD PRO 45 2HD PRO 45 -15.203 -3.395 11.647 323 HA PRO 46 HA PRO 46 -14.159 -4.943 5.041 324 1HB PRO 46 1HB PRO 46 -15.144 -3.597 2.902 325 2HB PRO 46 2HB PRO 46 -16.089 -4.843 3.763 326 1HG PRO 46 1HG PRO 46 -16.272 -1.839 4.091 327 2HG PRO 46 2HG PRO 46 -17.603 -3.013 3.915 328 1HD PRO 46 1HD PRO 46 -16.736 -2.057 6.355 329 2HD PRO 46 2HD PRO 46 -17.415 -3.700 6.149 330 H GLN 47 H GLN 47 -12.048 -4.275 5.335 331 HA GLN 47 HA GLN 47 -11.349 -1.401 5.048 332 1HB GLN 47 1HB GLN 47 -9.964 -3.802 6.321 333 2HB GLN 47 2HB GLN 47 -9.197 -2.236 6.044 334 1HG GLN 47 1HG GLN 47 -11.052 -1.143 7.371 335 2HG GLN 47 2HG GLN 47 -11.673 -2.763 7.733 336 1HE2 GLN 47 1HE2 GLN 47 -8.487 -1.029 7.767 337 2HE2 GLN 47 2HE2 GLN 47 -8.016 -1.585 9.360 338 H CYS 48 H CYS 48 -9.879 -0.736 3.559 339 HA CYS 48 HA CYS 48 -9.390 -2.627 1.331 340 1HB CYS 48 1HB CYS 48 -9.930 0.310 1.467 341 2HB CYS 48 2HB CYS 48 -9.261 -0.453 0.029 342 H ARG 49 H ARG 49 -7.497 -2.508 0.178 343 HA ARG 49 HA ARG 49 -5.112 -1.914 1.856 344 1HB ARG 49 1HB ARG 49 -5.693 -4.602 0.620 345 2HB ARG 49 2HB ARG 49 -4.542 -4.188 1.884 346 1HG ARG 49 1HG ARG 49 -6.401 -3.785 3.398 347 2HG ARG 49 2HG ARG 49 -7.599 -4.182 2.167 348 1HD ARG 49 1HD ARG 49 -5.485 -6.211 2.891 349 2HD ARG 49 2HD ARG 49 -6.943 -5.990 3.861 350 HE ARG 49 HE ARG 49 -8.320 -6.755 2.192 351 1HH1 ARG 49 1HH1 ARG 49 -4.981 -6.721 0.949 352 2HH1 ARG 49 2HH1 ARG 49 -5.374 -7.717 -0.427 353 1HH2 ARG 49 1HH2 ARG 49 -8.806 -7.989 0.339 354 2HH2 ARG 49 2HH2 ARG 49 -7.530 -8.463 -0.748 355 H CYS 50 H CYS 50 -3.194 -1.730 0.669 356 HA CYS 50 HA CYS 50 -3.399 -1.810 -2.319 357 1HB CYS 50 1HB CYS 50 -3.002 0.444 -1.342 358 2HB CYS 50 2HB CYS 50 -1.561 -0.172 -0.545 359 H TYR 51 H TYR 51 -2.079 -3.216 -3.327 360 HA TYR 51 HA TYR 51 0.184 -4.510 -1.867 361 1HB TYR 51 1HB TYR 51 -1.921 -5.888 -1.989 362 2HB TYR 51 2HB TYR 51 -1.825 -5.820 -3.735 363 HD1 TYR 51 HD1 TYR 51 0.125 -6.862 -0.686 364 HD2 TYR 51 HD2 TYR 51 -0.631 -7.542 -4.880 365 HE1 TYR 51 HE1 TYR 51 1.492 -8.923 -0.603 366 HE2 TYR 51 HE2 TYR 51 0.700 -9.628 -4.778 367 HH TYR 51 HH TYR 51 2.306 -10.721 -1.765 368 H ASP 52 H ASP 52 0.303 -2.185 -3.555 369 HA ASP 52 HA ASP 52 0.936 -2.663 -6.227 370 1HB ASP 52 1HB ASP 52 2.060 -0.528 -6.184 371 2HB ASP 52 2HB ASP 52 0.632 -0.451 -5.150 372 HD2 ASP 52 HD2 ASP 52 4.335 -0.054 -3.554 373 H ILE 53 H ILE 53 2.975 -2.784 -7.347 374 HA ILE 53 HA ILE 53 5.248 -3.919 -5.772 375 HB ILE 53 HB ILE 53 4.606 -4.492 -8.682 376 1HG1 ILE 53 1HG1 ILE 53 2.926 -5.592 -7.249 377 2HG1 ILE 53 2HG1 ILE 53 3.992 -6.730 -8.067 378 1HG2 ILE 53 1HG2 ILE 53 7.003 -4.568 -8.209 379 2HG2 ILE 53 2HG2 ILE 53 6.730 -5.534 -6.758 380 3HG2 ILE 53 3HG2 ILE 53 6.415 -6.227 -8.360 381 1HD1 ILE 53 1HD1 ILE 53 3.515 -7.359 -5.716 382 2HD1 ILE 53 2HD1 ILE 53 5.247 -7.140 -6.013 383 3HD1 ILE 53 3HD1 ILE 53 4.323 -5.888 -5.154 384 H THR 54 H THR 54 6.639 -2.328 -5.506 385 HA THR 54 HA THR 54 7.510 -0.745 -7.859 386 HB THR 54 HB THR 54 7.909 1.169 -6.217 387 HG1 THR 54 HG1 THR 54 7.644 0.102 -4.260 388 1HG2 THR 54 1HG2 THR 54 5.611 1.987 -6.305 389 2HG2 THR 54 2HG2 THR 54 6.060 1.207 -7.836 390 3HG2 THR 54 3HG2 THR 54 5.011 0.358 -6.676 391 H ASP 55 H ASP 55 9.782 0.031 -7.529 392 HA ASP 55 HA ASP 55 11.435 -2.068 -6.402 393 1HB ASP 55 1HB ASP 55 12.083 -0.804 -8.390 394 2HB ASP 55 2HB ASP 55 12.097 0.702 -7.468 395 HD2 ASP 55 HD2 ASP 55 15.017 -2.047 -6.705 396 H PHE 56 H PHE 56 9.937 0.774 -5.122 397 HA PHE 56 HA PHE 56 11.783 0.902 -2.770 398 1HB PHE 56 1HB PHE 56 11.424 3.398 -2.975 399 2HB PHE 56 2HB PHE 56 12.330 2.650 -4.262 400 HD1 PHE 56 HD1 PHE 56 8.936 3.958 -3.348 401 HD2 PHE 56 HD2 PHE 56 11.604 2.844 -6.551 402 HE1 PHE 56 HE1 PHE 56 7.333 4.842 -5.002 403 HE2 PHE 56 HE2 PHE 56 9.955 3.673 -8.206 404 HZ PHE 56 HZ PHE 56 7.802 4.651 -7.435 405 H CYS 57 H CYS 57 10.780 2.555 -1.207 406 HA CYS 57 HA CYS 57 7.987 1.756 -0.485 407 1HB CYS 57 1HB CYS 57 9.629 0.901 1.055 408 2HB CYS 57 2HB CYS 57 10.405 2.486 1.188 409 H TYR 58 H TYR 58 6.617 3.368 0.277 410 HA TYR 58 HA TYR 58 7.207 6.169 -0.497 411 1HB TYR 58 1HB TYR 58 4.687 4.629 0.178 412 2HB TYR 58 2HB TYR 58 4.705 6.335 -0.159 413 HD1 TYR 58 HD1 TYR 58 5.345 7.182 -2.448 414 HD2 TYR 58 HD2 TYR 58 4.623 3.012 -1.609 415 HE1 TYR 58 HE1 TYR 58 4.998 6.757 -4.861 416 HE2 TYR 58 HE2 TYR 58 4.317 2.582 -4.032 417 HH TYR 58 HH TYR 58 4.646 5.176 -6.486 418 HA PRO 59 HA PRO 59 7.319 7.364 3.825 419 1HB PRO 59 1HB PRO 59 5.973 9.772 3.882 420 2HB PRO 59 2HB PRO 59 7.596 9.551 3.167 421 1HG PRO 59 1HG PRO 59 4.930 9.476 1.719 422 2HG PRO 59 2HG PRO 59 6.370 10.458 1.306 423 1HD PRO 59 1HD PRO 59 5.942 8.135 0.052 424 2HD PRO 59 2HD PRO 59 7.589 8.509 0.626 425 H SER 60 H SER 60 5.939 7.836 5.764 426 HA SER 60 HA SER 60 3.965 5.899 5.958 427 1HB SER 60 1HB SER 60 3.590 7.270 8.216 428 2HB SER 60 2HB SER 60 4.959 6.200 7.924 429 HG SER 60 HG SER 60 5.621 8.249 8.717 430 H CYS 61 H CYS 61 1.832 5.931 6.116 431 HA CYS 61 HA CYS 61 0.388 8.200 4.928 432 1HB CYS 61 1HB CYS 61 0.197 5.520 4.525 433 2HB CYS 61 2HB CYS 61 -1.086 5.713 5.701 434 H SER 62 H SER 62 -2.029 8.250 5.786 435 HA SER 62 HA SER 62 -2.386 7.757 8.630 436 1HB SER 62 1HB SER 62 -1.573 10.114 8.601 437 2HB SER 62 2HB SER 62 -2.843 10.533 7.431 438 HG SER 62 HG SER 62 -3.347 10.986 9.655 Start of MODEL 2 1 1H THR 1 1H THR 1 -9.520 12.685 10.490 2 2H THR 1 2H THR 1 -10.828 13.577 10.007 3 3H THR 1 3H THR 1 -10.566 12.081 9.363 4 HA THR 1 HA THR 1 -8.800 14.375 9.002 5 HB THR 1 HB THR 1 -7.781 12.937 7.239 6 HG1 THR 1 HG1 THR 1 -8.256 10.718 7.333 7 1HG2 THR 1 1HG2 THR 1 -6.446 11.549 8.729 8 2HG2 THR 1 2HG2 THR 1 -6.730 13.130 9.481 9 3HG2 THR 1 3HG2 THR 1 -7.646 11.704 10.025 10 H LYS 2 H LYS 2 -8.769 15.218 6.806 11 HA LYS 2 HA LYS 2 -11.405 15.277 5.487 12 1HB LYS 2 1HB LYS 2 -8.747 16.617 4.826 13 2HB LYS 2 2HB LYS 2 -10.271 16.864 3.954 14 1HG LYS 2 1HG LYS 2 -11.340 17.626 6.084 15 2HG LYS 2 2HG LYS 2 -9.755 17.512 6.882 16 1HD LYS 2 1HD LYS 2 -8.844 19.087 5.120 17 2HD LYS 2 2HD LYS 2 -10.502 19.333 4.548 18 1HE LYS 2 1HE LYS 2 -9.480 19.877 7.379 19 2HE LYS 2 2HE LYS 2 -9.729 21.109 6.133 20 1HZ LYS 2 1HZ LYS 2 -11.847 19.399 7.236 21 2HZ LYS 2 2HZ LYS 2 -11.557 20.959 7.674 22 3HZ LYS 2 3HZ LYS 2 -12.042 20.613 6.137 23 H SER 3 H SER 3 -11.373 14.988 3.057 24 HA SER 3 HA SER 3 -10.628 12.306 2.444 25 1HB SER 3 1HB SER 3 -12.595 13.476 1.500 26 2HB SER 3 2HB SER 3 -11.513 14.551 0.586 27 HG SER 3 HG SER 3 -12.186 12.783 -0.670 28 H THR 4 H THR 4 -8.557 11.679 2.153 29 HA THR 4 HA THR 4 -6.962 12.892 0.059 30 HB THR 4 HB THR 4 -6.358 14.279 2.033 31 HG1 THR 4 HG1 THR 4 -4.265 12.546 1.265 32 1HG2 THR 4 1HG2 THR 4 -5.211 11.724 3.247 33 2HG2 THR 4 2HG2 THR 4 -5.107 13.367 3.897 34 3HG2 THR 4 3HG2 THR 4 -6.675 12.545 3.827 35 H THR 5 H THR 5 -5.428 11.441 -0.760 36 HA THR 5 HA THR 5 -4.956 8.875 0.525 37 HB THR 5 HB THR 5 -7.221 8.592 -0.445 38 HG1 THR 5 HG1 THR 5 -6.575 6.673 -1.656 39 1HG2 THR 5 1HG2 THR 5 -6.954 10.071 -2.464 40 2HG2 THR 5 2HG2 THR 5 -5.945 8.812 -3.206 41 3HG2 THR 5 3HG2 THR 5 -7.627 8.467 -2.796 42 H THR 6 H THR 6 -3.198 10.881 0.018 43 HA THR 6 HA THR 6 -1.853 10.794 -2.485 44 HB THR 6 HB THR 6 0.003 11.799 -1.150 45 HG1 THR 6 HG1 THR 6 -0.568 10.677 0.822 46 1HG2 THR 6 1HG2 THR 6 -2.741 13.034 -0.646 47 2HG2 THR 6 2HG2 THR 6 -1.179 13.875 -0.636 48 3HG2 THR 6 3HG2 THR 6 -1.802 13.182 -2.147 49 H ALA 7 H ALA 7 0.355 9.930 -2.865 50 HA ALA 7 HA ALA 7 0.292 7.124 -2.512 51 1HB ALA 7 1HB ALA 7 2.597 8.773 -3.534 52 2HB ALA 7 2HB ALA 7 2.320 7.026 -3.734 53 3HB ALA 7 3HB ALA 7 1.208 8.186 -4.489 54 H CYS 8 H CYS 8 0.334 6.443 -0.470 55 HA CYS 8 HA CYS 8 2.773 6.909 1.201 56 1HB CYS 8 1HB CYS 8 1.398 6.973 3.115 57 2HB CYS 8 2HB CYS 8 0.696 8.100 1.987 58 H CYS 9 H CYS 9 2.507 5.282 3.054 59 HA CYS 9 HA CYS 9 1.308 2.753 2.728 60 1HB CYS 9 1HB CYS 9 3.103 2.477 0.999 61 2HB CYS 9 2HB CYS 9 4.319 2.784 2.230 62 H ASP 10 H ASP 10 1.895 1.377 4.648 63 HA ASP 10 HA ASP 10 3.239 2.893 6.865 64 1HB ASP 10 1HB ASP 10 0.911 2.484 7.396 65 2HB ASP 10 2HB ASP 10 1.052 0.783 6.938 66 HD2 ASP 10 HD2 ASP 10 1.293 0.345 10.379 67 H PHE 11 H PHE 11 2.448 -0.558 6.284 68 HA PHE 11 HA PHE 11 5.213 -1.334 6.926 69 1HB PHE 11 1HB PHE 11 2.805 -3.009 6.201 70 2HB PHE 11 2HB PHE 11 4.295 -3.577 6.949 71 HD1 PHE 11 HD1 PHE 11 0.987 -3.137 7.655 72 HD2 PHE 11 HD2 PHE 11 4.823 -1.908 9.207 73 HE1 PHE 11 HE1 PHE 11 -0.002 -2.892 9.899 74 HE2 PHE 11 HE2 PHE 11 3.826 -1.648 11.450 75 HZ PHE 11 HZ PHE 11 1.412 -2.137 11.814 76 H CYS 12 H CYS 12 6.604 -1.214 5.250 77 HA CYS 12 HA CYS 12 5.715 -1.945 2.499 78 1HB CYS 12 1HB CYS 12 7.402 -0.407 1.703 79 2HB CYS 12 2HB CYS 12 6.170 0.388 2.670 80 HA PRO 13 HA PRO 13 9.095 -4.897 3.875 81 1HB PRO 13 1HB PRO 13 7.872 -7.282 3.336 82 2HB PRO 13 2HB PRO 13 7.611 -6.384 4.859 83 1HG PRO 13 1HG PRO 13 5.862 -6.341 2.384 84 2HG PRO 13 2HG PRO 13 5.363 -6.604 4.083 85 1HD PRO 13 1HD PRO 13 5.193 -4.169 2.897 86 2HD PRO 13 2HD PRO 13 5.669 -4.331 4.616 87 H CYS 14 H CYS 14 10.575 -5.822 2.426 88 HA CYS 14 HA CYS 14 9.830 -5.992 -0.438 89 1HB CYS 14 1HB CYS 14 12.374 -4.785 0.709 90 2HB CYS 14 2HB CYS 14 11.976 -4.934 -0.995 91 H THR 15 H THR 15 11.292 -7.226 -1.734 92 HA THR 15 HA THR 15 12.237 -9.641 -0.334 93 HB THR 15 HB THR 15 12.301 -10.577 -2.569 94 HG1 THR 15 HG1 THR 15 11.675 -7.940 -3.410 95 1HG2 THR 15 1HG2 THR 15 10.055 -10.434 -1.471 96 2HG2 THR 15 2HG2 THR 15 9.748 -8.911 -2.328 97 3HG2 THR 15 3HG2 THR 15 9.961 -10.413 -3.237 98 H ARG 16 H ARG 16 14.346 -10.482 -0.857 99 HA ARG 16 HA ARG 16 16.412 -8.407 -1.506 100 1HB ARG 16 1HB ARG 16 16.575 -10.967 0.109 101 2HB ARG 16 2HB ARG 16 17.920 -9.858 -0.237 102 1HG ARG 16 1HG ARG 16 16.786 -8.037 0.955 103 2HG ARG 16 2HG ARG 16 15.402 -9.076 1.319 104 1HD ARG 16 1HD ARG 16 18.252 -9.593 2.283 105 2HD ARG 16 2HD ARG 16 16.983 -8.802 3.208 106 HE ARG 16 HE ARG 16 15.775 -10.756 3.458 107 1HH1 ARG 16 1HH1 ARG 16 18.720 -11.418 1.569 108 2HH1 ARG 16 2HH1 ARG 16 18.630 -13.140 1.824 109 1HH2 ARG 16 1HH2 ARG 16 15.660 -13.006 3.734 110 2HH2 ARG 16 2HH2 ARG 16 16.878 -14.045 3.042 111 H SER 17 H SER 17 14.814 -9.769 -3.518 112 HA SER 17 HA SER 17 16.612 -11.719 -4.773 113 1HB SER 17 1HB SER 17 14.780 -11.793 -6.441 114 2HB SER 17 2HB SER 17 14.226 -12.149 -4.820 115 HG SER 17 HG SER 17 13.358 -10.057 -4.719 116 H ILE 18 H ILE 18 16.529 -11.227 -7.291 117 HA ILE 18 HA ILE 18 17.551 -8.473 -7.793 118 HB ILE 18 HB ILE 18 18.761 -11.094 -8.588 119 1HG1 ILE 18 1HG1 ILE 18 19.382 -10.264 -6.325 120 2HG1 ILE 18 2HG1 ILE 18 20.735 -10.369 -7.447 121 1HG2 ILE 18 1HG2 ILE 18 19.324 -8.327 -9.686 122 2HG2 ILE 18 2HG2 ILE 18 20.496 -9.662 -9.775 123 3HG2 ILE 18 3HG2 ILE 18 18.933 -9.810 -10.575 124 1HD1 ILE 18 1HD1 ILE 18 19.299 -7.803 -6.624 125 2HD1 ILE 18 2HD1 ILE 18 20.916 -8.339 -6.150 126 3HD1 ILE 18 3HD1 ILE 18 20.601 -7.897 -7.831 127 HA PRO 19 HA PRO 19 16.821 -6.837 -8.820 128 1HB PRO 19 1HB PRO 19 14.625 -5.426 -9.610 129 2HB PRO 19 2HB PRO 19 16.003 -5.762 -10.696 130 1HG PRO 19 1HG PRO 19 13.397 -7.297 -10.496 131 2HG PRO 19 2HG PRO 19 14.191 -6.679 -11.974 132 1HD PRO 19 1HD PRO 19 14.484 -9.262 -11.129 133 2HD PRO 19 2HD PRO 19 15.843 -8.386 -11.889 134 HA PRO 20 HA PRO 20 14.087 -7.710 -5.279 135 1HB PRO 20 1HB PRO 20 14.395 -5.511 -3.748 136 2HB PRO 20 2HB PRO 20 15.737 -6.656 -4.037 137 1HG PRO 20 1HG PRO 20 15.206 -4.037 -5.452 138 2HG PRO 20 2HG PRO 20 16.748 -4.612 -4.761 139 1HD PRO 20 1HD PRO 20 16.127 -4.879 -7.428 140 2HD PRO 20 2HD PRO 20 17.107 -6.096 -6.555 141 H GLN 21 H GLN 21 11.894 -7.596 -5.151 142 HA GLN 21 HA GLN 21 10.457 -5.213 -6.204 143 1HB GLN 21 1HB GLN 21 8.524 -6.673 -6.161 144 2HB GLN 21 2HB GLN 21 9.717 -7.082 -7.379 145 1HG GLN 21 1HG GLN 21 9.276 -8.570 -4.748 146 2HG GLN 21 2HG GLN 21 8.525 -8.980 -6.287 147 1HE2 GLN 21 1HE2 GLN 21 11.298 -8.185 -7.631 148 2HE2 GLN 21 2HE2 GLN 21 12.219 -9.645 -7.402 149 H CYS 22 H CYS 22 9.224 -4.061 -4.866 150 HA CYS 22 HA CYS 22 9.150 -4.727 -1.964 151 1HB CYS 22 1HB CYS 22 9.132 -2.107 -3.439 152 2HB CYS 22 2HB CYS 22 8.609 -2.248 -1.766 153 H GLN 23 H GLN 23 7.242 -4.418 -0.883 154 HA GLN 23 HA GLN 23 4.725 -4.163 -2.446 155 1HB GLN 23 1HB GLN 23 5.427 -6.422 -0.505 156 2HB GLN 23 2HB GLN 23 3.819 -6.099 -1.184 157 1HG GLN 23 1HG GLN 23 4.780 -6.367 -3.482 158 2HG GLN 23 2HG GLN 23 6.317 -6.871 -2.758 159 1HE2 GLN 23 1HE2 GLN 23 5.663 -8.763 -4.284 160 2HE2 GLN 23 2HE2 GLN 23 4.764 -10.060 -3.527 161 H CYS 24 H CYS 24 2.862 -4.039 -0.818 162 HA CYS 24 HA CYS 24 3.662 -2.799 1.745 163 1HB CYS 24 1HB CYS 24 1.775 -1.699 -0.326 164 2HB CYS 24 2HB CYS 24 1.532 -1.352 1.390 165 H THR 25 H THR 25 2.634 -3.605 3.444 166 HA THR 25 HA THR 25 0.258 -5.385 3.022 167 HB THR 25 HB THR 25 1.028 -6.612 5.007 168 HG1 THR 25 HG1 THR 25 2.241 -5.056 6.029 169 1HG2 THR 25 1HG2 THR 25 3.231 -6.426 2.909 170 2HG2 THR 25 2HG2 THR 25 2.860 -7.801 3.971 171 3HG2 THR 25 3HG2 THR 25 1.710 -7.321 2.704 172 H ASP 26 H ASP 26 0.521 -2.403 3.453 173 HA ASP 26 HA ASP 26 -0.568 -1.896 6.063 174 1HB ASP 26 1HB ASP 26 0.603 -0.180 4.828 175 2HB ASP 26 2HB ASP 26 -0.570 -0.272 3.501 176 HD2 ASP 26 HD2 ASP 26 -2.176 1.166 6.932 177 H VAL 27 H VAL 27 -2.648 -1.291 6.487 178 HA VAL 27 HA VAL 27 -4.866 -2.150 4.722 179 HB VAL 27 HB VAL 27 -4.471 -3.103 7.598 180 1HG1 VAL 27 1HG1 VAL 27 -6.781 -3.447 5.633 181 2HG1 VAL 27 2HG1 VAL 27 -6.557 -4.455 7.068 182 3HG1 VAL 27 3HG1 VAL 27 -6.812 -2.706 7.228 183 1HG2 VAL 27 1HG2 VAL 27 -3.057 -4.448 6.208 184 2HG2 VAL 27 2HG2 VAL 27 -4.521 -5.396 6.485 185 3HG2 VAL 27 3HG2 VAL 27 -4.286 -4.564 4.937 186 H ARG 28 H ARG 28 -6.403 -0.578 4.735 187 HA ARG 28 HA ARG 28 -6.744 1.372 6.864 188 1HB ARG 28 1HB ARG 28 -4.495 1.657 5.159 189 2HB ARG 28 2HB ARG 28 -5.642 2.777 4.490 190 1HG ARG 28 1HG ARG 28 -4.858 2.619 7.452 191 2HG ARG 28 2HG ARG 28 -4.030 3.633 6.271 192 1HD ARG 28 1HD ARG 28 -6.971 3.898 7.000 193 2HD ARG 28 2HD ARG 28 -5.647 4.901 7.618 194 HE ARG 28 HE ARG 28 -5.455 4.989 4.823 195 1HH1 ARG 28 1HH1 ARG 28 -7.691 6.076 7.352 196 2HH1 ARG 28 2HH1 ARG 28 -8.328 7.392 6.398 197 1HH2 ARG 28 1HH2 ARG 28 -6.256 6.735 3.603 198 2HH2 ARG 28 2HH2 ARG 28 -7.483 7.789 4.262 199 H GLU 29 H GLU 29 -7.569 3.454 5.004 200 HA GLU 29 HA GLU 29 -10.170 2.439 4.214 201 1HB GLU 29 1HB GLU 29 -9.498 4.689 5.332 202 2HB GLU 29 2HB GLU 29 -9.027 5.207 3.710 203 1HG GLU 29 1HG GLU 29 -11.411 4.677 2.990 204 2HG GLU 29 2HG GLU 29 -11.764 4.243 4.666 205 HE2 GLU 29 HE2 GLU 29 -12.896 7.643 4.397 206 H LYS 30 H LYS 30 -9.822 4.592 1.830 207 HA LYS 30 HA LYS 30 -9.621 2.597 -0.170 208 1HB LYS 30 1HB LYS 30 -9.340 5.604 -0.451 209 2HB LYS 30 2HB LYS 30 -9.692 4.473 -1.743 210 1HG LYS 30 1HG LYS 30 -11.550 5.105 0.587 211 2HG LYS 30 2HG LYS 30 -11.694 5.650 -1.088 212 1HD LYS 30 1HD LYS 30 -11.810 3.180 -1.776 213 2HD LYS 30 2HD LYS 30 -11.915 2.796 -0.049 214 1HE LYS 30 1HE LYS 30 -14.141 2.804 -0.852 215 2HE LYS 30 2HE LYS 30 -13.963 4.297 0.083 216 1HZ LYS 30 1HZ LYS 30 -13.826 4.040 -2.849 217 2HZ LYS 30 2HZ LYS 30 -15.097 4.635 -1.990 218 3HZ LYS 30 3HZ LYS 30 -13.669 5.455 -2.016 219 H CYS 31 H CYS 31 -8.168 2.692 -2.034 220 HA CYS 31 HA CYS 31 -5.479 2.203 -1.139 221 1HB CYS 31 1HB CYS 31 -6.243 2.232 -4.030 222 2HB CYS 31 2HB CYS 31 -5.182 1.144 -3.161 223 H HIS 32 H HIS 32 -3.532 3.289 -2.077 224 HA HIS 32 HA HIS 32 -4.039 6.107 -2.189 225 1HB HIS 32 1HB HIS 32 -1.711 6.458 -2.198 226 2HB HIS 32 2HB HIS 32 -2.230 5.443 -0.902 227 HD1 HIS 32 HD1 HIS 32 -0.003 5.514 -3.953 228 HD2 HIS 32 HD2 HIS 32 -1.195 2.849 -0.936 229 HE1 HIS 32 HE1 HIS 32 1.611 3.553 -4.020 230 HE2 HIS 32 HE2 HIS 32 0.926 1.921 -2.160 231 H SER 33 H SER 33 -2.914 7.536 -3.581 232 HA SER 33 HA SER 33 -3.948 7.646 -6.123 233 1HB SER 33 1HB SER 33 -2.972 9.538 -4.852 234 2HB SER 33 2HB SER 33 -1.358 8.889 -5.195 235 HG SER 33 HG SER 33 -1.886 9.123 -7.447 236 H ALA 34 H ALA 34 -0.839 6.328 -5.148 237 HA ALA 34 HA ALA 34 -0.231 5.469 -7.948 238 1HB ALA 34 1HB ALA 34 2.083 5.450 -7.291 239 2HB ALA 34 2HB ALA 34 1.392 6.983 -6.722 240 3HB ALA 34 3HB ALA 34 1.663 5.649 -5.577 241 H CYS 35 H CYS 35 -2.136 4.035 -6.240 242 HA CYS 35 HA CYS 35 -0.682 1.497 -5.727 243 1HB CYS 35 1HB CYS 35 -2.182 2.437 -3.938 244 2HB CYS 35 2HB CYS 35 -3.550 2.162 -5.023 245 H LYS 36 H LYS 36 -0.831 -0.110 -7.230 246 HA LYS 36 HA LYS 36 -2.702 0.249 -9.513 247 1HB LYS 36 1HB LYS 36 -0.127 0.182 -9.735 248 2HB LYS 36 2HB LYS 36 -0.276 -1.559 -9.461 249 1HG LYS 36 1HG LYS 36 -1.901 -1.708 -11.349 250 2HG LYS 36 2HG LYS 36 -1.705 0.036 -11.631 251 1HD LYS 36 1HD LYS 36 0.781 -0.387 -11.944 252 2HD LYS 36 2HD LYS 36 0.432 -2.124 -11.919 253 1HE LYS 36 1HE LYS 36 -0.720 -0.065 -13.872 254 2HE LYS 36 2HE LYS 36 0.584 -1.208 -14.230 255 1HZ LYS 36 1HZ LYS 36 -0.940 -2.996 -13.901 256 2HZ LYS 36 2HZ LYS 36 -2.163 -1.960 -13.512 257 3HZ LYS 36 3HZ LYS 36 -1.533 -1.957 -15.033 258 H SER 37 H SER 37 -1.361 -2.173 -7.323 259 HA SER 37 HA SER 37 -3.705 -3.988 -7.834 260 1HB SER 37 1HB SER 37 -1.552 -5.108 -8.149 261 2HB SER 37 2HB SER 37 -1.018 -4.583 -6.546 262 HG SER 37 HG SER 37 -1.834 -6.686 -6.497 263 H CYS 38 H CYS 38 -5.214 -3.998 -6.297 264 HA CYS 38 HA CYS 38 -4.594 -3.421 -3.487 265 1HB CYS 38 1HB CYS 38 -5.153 -1.212 -4.617 266 2HB CYS 38 2HB CYS 38 -6.732 -1.882 -5.015 267 H LEU 39 H LEU 39 -6.026 -4.464 -2.126 268 HA LEU 39 HA LEU 39 -8.458 -5.690 -3.209 269 1HB LEU 39 1HB LEU 39 -6.612 -7.318 -3.711 270 2HB LEU 39 2HB LEU 39 -6.203 -7.346 -1.996 271 HG LEU 39 HG LEU 39 -8.460 -8.308 -1.498 272 1HD1 LEU 39 1HD1 LEU 39 -9.795 -7.462 -3.396 273 2HD1 LEU 39 2HD1 LEU 39 -8.780 -8.375 -4.533 274 3HD1 LEU 39 3HD1 LEU 39 -9.815 -9.224 -3.368 275 1HD2 LEU 39 1HD2 LEU 39 -8.006 -10.528 -2.376 276 2HD2 LEU 39 2HD2 LEU 39 -6.930 -9.858 -3.623 277 3HD2 LEU 39 3HD2 LEU 39 -6.473 -9.773 -1.920 278 H CYS 40 H CYS 40 -9.875 -6.402 -1.526 279 HA CYS 40 HA CYS 40 -9.287 -5.191 1.132 280 1HB CYS 40 1HB CYS 40 -11.973 -5.133 -0.272 281 2HB CYS 40 2HB CYS 40 -11.476 -4.208 1.142 282 H THR 41 H THR 41 -10.818 -5.854 2.826 283 HA THR 41 HA THR 41 -11.259 -8.776 2.786 284 HB THR 41 HB THR 41 -12.043 -8.336 5.112 285 HG1 THR 41 HG1 THR 41 -12.558 -6.067 4.597 286 1HG2 THR 41 1HG2 THR 41 -9.730 -8.991 4.677 287 2HG2 THR 41 2HG2 THR 41 -9.261 -7.284 4.475 288 3HG2 THR 41 3HG2 THR 41 -9.840 -7.876 6.052 289 H ARG 42 H ARG 42 -13.318 -9.694 3.145 290 HA ARG 42 HA ARG 42 -15.622 -8.149 2.145 291 1HB ARG 42 1HB ARG 42 -16.738 -10.253 2.018 292 2HB ARG 42 2HB ARG 42 -15.173 -10.350 1.203 293 1HG ARG 42 1HG ARG 42 -14.236 -11.537 3.169 294 2HG ARG 42 2HG ARG 42 -15.817 -11.422 3.978 295 1HD ARG 42 1HD ARG 42 -16.845 -12.706 2.114 296 2HD ARG 42 2HD ARG 42 -15.245 -12.856 1.352 297 HE ARG 42 HE ARG 42 -15.122 -13.799 4.043 298 1HH1 ARG 42 1HH1 ARG 42 -16.488 -14.729 0.900 299 2HH1 ARG 42 2HH1 ARG 42 -16.452 -16.438 1.246 300 1HH2 ARG 42 1HH2 ARG 42 -15.085 -16.046 4.488 301 2HH2 ARG 42 2HH2 ARG 42 -15.653 -17.190 3.301 302 H SER 43 H SER 43 -14.235 -7.919 5.008 303 HA SER 43 HA SER 43 -16.284 -8.744 6.818 304 1HB SER 43 1HB SER 43 -14.843 -7.567 8.461 305 2HB SER 43 2HB SER 43 -13.963 -8.712 7.485 306 HG SER 43 HG SER 43 -13.074 -7.003 6.342 307 H PHE 44 H PHE 44 -16.700 -6.881 8.520 308 HA PHE 44 HA PHE 44 -17.669 -4.408 7.209 309 1HB PHE 44 1HB PHE 44 -19.548 -5.941 7.371 310 2HB PHE 44 2HB PHE 44 -19.308 -6.090 9.109 311 HD1 PHE 44 HD1 PHE 44 -20.096 -3.659 6.366 312 HD2 PHE 44 HD2 PHE 44 -20.180 -4.411 10.615 313 HE1 PHE 44 HE1 PHE 44 -21.390 -1.571 6.716 314 HE2 PHE 44 HE2 PHE 44 -21.477 -2.327 10.953 315 HZ PHE 44 HZ PHE 44 -22.059 -0.890 9.011 316 HA PRO 45 HA PRO 45 -17.291 -2.299 7.531 317 1HB PRO 45 1HB PRO 45 -15.231 -0.548 7.813 318 2HB PRO 45 2HB PRO 45 -16.732 -0.463 8.781 319 1HG PRO 45 1HG PRO 45 -14.111 -1.757 9.590 320 2HG PRO 45 2HG PRO 45 -15.073 -0.562 10.511 321 1HD PRO 45 1HD PRO 45 -15.317 -3.232 10.977 322 2HD PRO 45 2HD PRO 45 -16.755 -2.175 11.005 323 HA PRO 46 HA PRO 46 -14.223 -4.634 5.115 324 1HB PRO 46 1HB PRO 46 -14.529 -3.533 2.653 325 2HB PRO 46 2HB PRO 46 -15.793 -4.547 3.407 326 1HG PRO 46 1HG PRO 46 -15.652 -1.517 3.379 327 2HG PRO 46 2HG PRO 46 -17.038 -2.554 2.938 328 1HD PRO 46 1HD PRO 46 -16.795 -1.451 5.420 329 2HD PRO 46 2HD PRO 46 -17.463 -3.097 5.199 330 H GLN 47 H GLN 47 -12.059 -4.324 5.239 331 HA GLN 47 HA GLN 47 -10.943 -1.565 5.161 332 1HB GLN 47 1HB GLN 47 -9.953 -4.212 6.314 333 2HB GLN 47 2HB GLN 47 -9.036 -2.708 6.290 334 1HG GLN 47 1HG GLN 47 -11.696 -3.150 7.716 335 2HG GLN 47 2HG GLN 47 -10.108 -3.108 8.487 336 1HE2 GLN 47 1HE2 GLN 47 -8.771 -0.995 7.749 337 2HE2 GLN 47 2HE2 GLN 47 -9.674 0.492 7.945 338 H CYS 48 H CYS 48 -9.629 -1.033 3.499 339 HA CYS 48 HA CYS 48 -9.050 -3.114 1.462 340 1HB CYS 48 1HB CYS 48 -9.492 -0.148 1.312 341 2HB CYS 48 2HB CYS 48 -8.775 -1.065 -0.001 342 H ARG 49 H ARG 49 -7.079 -3.152 0.469 343 HA ARG 49 HA ARG 49 -4.801 -2.245 2.161 344 1HB ARG 49 1HB ARG 49 -5.059 -5.040 1.185 345 2HB ARG 49 2HB ARG 49 -4.152 -4.418 2.548 346 1HG ARG 49 1HG ARG 49 -6.246 -4.111 3.767 347 2HG ARG 49 2HG ARG 49 -7.210 -4.702 2.414 348 1HD ARG 49 1HD ARG 49 -5.031 -6.447 3.560 349 2HD ARG 49 2HD ARG 49 -6.626 -6.324 4.310 350 HE ARG 49 HE ARG 49 -7.684 -7.291 2.507 351 1HH1 ARG 49 1HH1 ARG 49 -4.205 -7.034 1.727 352 2HH1 ARG 49 2HH1 ARG 49 -4.338 -8.137 0.381 353 1HH2 ARG 49 1HH2 ARG 49 -7.800 -8.673 0.744 354 2HH2 ARG 49 2HH2 ARG 49 -6.362 -9.046 -0.173 355 H CYS 50 H CYS 50 -3.236 -1.475 0.851 356 HA CYS 50 HA CYS 50 -3.442 -1.853 -2.063 357 1HB CYS 50 1HB CYS 50 -2.983 0.392 -1.189 358 2HB CYS 50 2HB CYS 50 -1.520 -0.201 -0.385 359 H TYR 51 H TYR 51 -2.319 -3.356 -3.144 360 HA TYR 51 HA TYR 51 0.009 -4.713 -1.865 361 1HB TYR 51 1HB TYR 51 -2.491 -5.814 -2.571 362 2HB TYR 51 2HB TYR 51 -1.481 -6.256 -3.907 363 HD1 TYR 51 HD1 TYR 51 -1.611 -6.267 -0.160 364 HD2 TYR 51 HD2 TYR 51 0.064 -8.087 -3.694 365 HE1 TYR 51 HE1 TYR 51 -0.559 -8.020 1.239 366 HE2 TYR 51 HE2 TYR 51 1.061 -9.873 -2.298 367 HH TYR 51 HH TYR 51 1.315 -10.728 -0.175 368 H ASP 52 H ASP 52 -0.077 -2.319 -3.648 369 HA ASP 52 HA ASP 52 0.571 -2.933 -6.297 370 1HB ASP 52 1HB ASP 52 0.055 -0.684 -5.397 371 2HB ASP 52 2HB ASP 52 1.613 -0.661 -4.553 372 HD2 ASP 52 HD2 ASP 52 2.788 1.026 -7.361 373 H ILE 53 H ILE 53 2.555 -3.207 -7.401 374 HA ILE 53 HA ILE 53 4.777 -4.274 -5.715 375 HB ILE 53 HB ILE 53 4.357 -4.629 -8.696 376 1HG1 ILE 53 1HG1 ILE 53 2.509 -5.758 -7.671 377 2HG1 ILE 53 2HG1 ILE 53 3.699 -6.957 -8.175 378 1HG2 ILE 53 1HG2 ILE 53 6.064 -6.435 -8.373 379 2HG2 ILE 53 2HG2 ILE 53 6.693 -4.833 -7.990 380 3HG2 ILE 53 3HG2 ILE 53 6.251 -5.933 -6.682 381 1HD1 ILE 53 1HD1 ILE 53 2.789 -7.531 -5.989 382 2HD1 ILE 53 2HD1 ILE 53 4.505 -7.124 -5.810 383 3HD1 ILE 53 3HD1 ILE 53 3.248 -5.960 -5.325 384 H THR 54 H THR 54 6.629 -3.219 -5.679 385 HA THR 54 HA THR 54 7.120 -0.880 -7.428 386 HB THR 54 HB THR 54 7.616 0.409 -5.290 387 HG1 THR 54 HG1 THR 54 6.253 -1.782 -4.114 388 1HG2 THR 54 1HG2 THR 54 5.332 0.994 -4.791 389 2HG2 THR 54 2HG2 THR 54 5.472 0.709 -6.535 390 3HG2 THR 54 3HG2 THR 54 4.726 -0.517 -5.485 391 H ASP 55 H ASP 55 9.371 0.051 -6.303 392 HA ASP 55 HA ASP 55 11.204 -2.249 -5.800 393 1HB ASP 55 1HB ASP 55 11.135 -0.962 -8.170 394 2HB ASP 55 2HB ASP 55 12.182 0.163 -7.307 395 HD2 ASP 55 HD2 ASP 55 14.643 -2.500 -6.810 396 H PHE 56 H PHE 56 9.670 0.011 -4.289 397 HA PHE 56 HA PHE 56 11.824 1.060 -2.585 398 1HB PHE 56 1HB PHE 56 10.868 3.398 -3.149 399 2HB PHE 56 2HB PHE 56 11.922 2.633 -4.315 400 HD1 PHE 56 HD1 PHE 56 8.328 3.376 -3.531 401 HD2 PHE 56 HD2 PHE 56 11.167 2.210 -6.565 402 HE1 PHE 56 HE1 PHE 56 6.546 3.450 -5.249 403 HE2 PHE 56 HE2 PHE 56 9.375 2.300 -8.273 404 HZ PHE 56 HZ PHE 56 7.056 2.908 -7.614 405 H CYS 57 H CYS 57 10.736 2.738 -1.096 406 HA CYS 57 HA CYS 57 8.048 1.808 -0.164 407 1HB CYS 57 1HB CYS 57 9.747 0.928 1.324 408 2HB CYS 57 2HB CYS 57 10.474 2.536 1.499 409 H TYR 58 H TYR 58 6.698 3.388 0.575 410 HA TYR 58 HA TYR 58 7.290 6.190 -0.148 411 1HB TYR 58 1HB TYR 58 4.782 4.605 0.545 412 2HB TYR 58 2HB TYR 58 4.782 6.345 0.362 413 HD1 TYR 58 HD1 TYR 58 4.281 3.297 -1.382 414 HD2 TYR 58 HD2 TYR 58 5.805 7.302 -1.881 415 HE1 TYR 58 HE1 TYR 58 3.959 3.122 -3.832 416 HE2 TYR 58 HE2 TYR 58 5.456 7.134 -4.323 417 HH TYR 58 HH TYR 58 4.689 5.833 -6.060 418 HA PRO 59 HA PRO 59 7.624 7.313 4.180 419 1HB PRO 59 1HB PRO 59 6.395 9.775 4.289 420 2HB PRO 59 2HB PRO 59 7.989 9.493 3.529 421 1HG PRO 59 1HG PRO 59 5.288 9.600 2.159 422 2HG PRO 59 2HG PRO 59 6.789 10.465 1.701 423 1HD PRO 59 1HD PRO 59 6.084 8.164 0.487 424 2HD PRO 59 2HD PRO 59 7.795 8.460 0.903 425 H SER 60 H SER 60 6.260 7.742 6.149 426 HA SER 60 HA SER 60 4.241 5.848 6.229 427 1HB SER 60 1HB SER 60 3.893 7.178 8.553 428 2HB SER 60 2HB SER 60 5.118 5.952 8.236 429 HG SER 60 HG SER 60 6.032 7.861 9.121 430 H CYS 61 H CYS 61 2.086 5.896 6.319 431 HA CYS 61 HA CYS 61 0.723 8.211 5.173 432 1HB CYS 61 1HB CYS 61 0.326 5.582 4.849 433 2HB CYS 61 2HB CYS 61 -0.822 5.831 6.151 434 H SER 62 H SER 62 -1.559 8.671 6.119 435 HA SER 62 HA SER 62 -1.800 8.569 9.027 436 1HB SER 62 1HB SER 62 -1.906 11.172 7.428 437 2HB SER 62 2HB SER 62 -2.322 10.954 9.134 438 HG SER 62 HG SER 62 -0.097 10.135 9.356 Start of MODEL 3 1 1H THR 1 1H THR 1 -6.209 15.426 9.990 2 2H THR 1 2H THR 1 -7.417 14.853 9.021 3 3H THR 1 3H THR 1 -5.883 14.966 8.435 4 HA THR 1 HA THR 1 -7.582 17.213 9.207 5 HB THR 1 HB THR 1 -5.785 18.553 8.068 6 HG1 THR 1 HG1 THR 1 -4.126 16.325 8.620 7 1HG2 THR 1 1HG2 THR 1 -6.036 18.597 10.495 8 2HG2 THR 1 2HG2 THR 1 -4.997 17.160 10.658 9 3HG2 THR 1 3HG2 THR 1 -4.328 18.680 10.027 10 H LYS 2 H LYS 2 -8.450 18.436 7.516 11 HA LYS 2 HA LYS 2 -8.934 17.114 4.952 12 1HB LYS 2 1HB LYS 2 -10.683 18.450 6.081 13 2HB LYS 2 2HB LYS 2 -9.633 19.865 6.057 14 1HG LYS 2 1HG LYS 2 -11.218 20.134 4.342 15 2HG LYS 2 2HG LYS 2 -9.688 19.801 3.526 16 1HD LYS 2 1HD LYS 2 -10.365 17.458 3.152 17 2HD LYS 2 2HD LYS 2 -11.878 17.725 4.036 18 1HE LYS 2 1HE LYS 2 -11.043 19.174 1.474 19 2HE LYS 2 2HE LYS 2 -12.142 17.786 1.549 20 1HZ LYS 2 1HZ LYS 2 -13.620 19.096 2.893 21 2HZ LYS 2 2HZ LYS 2 -12.615 20.400 2.797 22 3HZ LYS 2 3HZ LYS 2 -13.341 19.819 1.440 23 H SER 3 H SER 3 -6.770 16.879 4.202 24 HA SER 3 HA SER 3 -5.463 19.291 3.114 25 1HB SER 3 1HB SER 3 -4.075 17.374 5.048 26 2HB SER 3 2HB SER 3 -3.335 18.759 4.221 27 HG SER 3 HG SER 3 -5.006 20.037 5.326 28 H THR 4 H THR 4 -3.384 18.510 1.923 29 HA THR 4 HA THR 4 -4.203 16.741 -0.096 30 HB THR 4 HB THR 4 -2.567 18.521 -0.428 31 HG1 THR 4 HG1 THR 4 -2.622 16.786 -1.856 32 1HG2 THR 4 1HG2 THR 4 -1.227 18.234 1.694 33 2HG2 THR 4 2HG2 THR 4 -0.528 16.753 1.000 34 3HG2 THR 4 3HG2 THR 4 -0.245 18.316 0.222 35 H THR 5 H THR 5 -3.910 14.629 -0.506 36 HA THR 5 HA THR 5 -2.610 12.888 1.548 37 HB THR 5 HB THR 5 -4.914 12.669 1.899 38 HG1 THR 5 HG1 THR 5 -4.058 10.615 0.155 39 1HG2 THR 5 1HG2 THR 5 -6.556 12.066 0.145 40 2HG2 THR 5 2HG2 THR 5 -5.927 13.705 -0.043 41 3HG2 THR 5 3HG2 THR 5 -5.350 12.406 -1.107 42 H THR 6 H THR 6 -0.731 13.290 0.169 43 HA THR 6 HA THR 6 -0.542 12.346 -2.514 44 HB THR 6 HB THR 6 1.866 12.476 -2.115 45 HG1 THR 6 HG1 THR 6 1.144 12.927 0.590 46 1HG2 THR 6 1HG2 THR 6 0.433 14.825 -0.799 47 2HG2 THR 6 2HG2 THR 6 2.048 14.828 -1.524 48 3HG2 THR 6 3HG2 THR 6 0.622 14.573 -2.548 49 H ALA 7 H ALA 7 1.034 10.571 -3.112 50 HA ALA 7 HA ALA 7 0.152 8.001 -2.296 51 1HB ALA 7 1HB ALA 7 2.155 7.208 -3.537 52 2HB ALA 7 2HB ALA 7 1.139 8.337 -4.465 53 3HB ALA 7 3HB ALA 7 2.668 8.893 -3.741 54 H CYS 8 H CYS 8 0.256 7.481 -0.179 55 HA CYS 8 HA CYS 8 2.950 7.510 1.162 56 1HB CYS 8 1HB CYS 8 1.953 7.966 3.189 57 2HB CYS 8 2HB CYS 8 1.212 9.099 2.110 58 H CYS 9 H CYS 9 2.693 6.099 3.128 59 HA CYS 9 HA CYS 9 1.642 3.436 2.989 60 1HB CYS 9 1HB CYS 9 3.168 3.381 1.008 61 2HB CYS 9 2HB CYS 9 4.485 3.987 2.006 62 H ASP 10 H ASP 10 3.067 2.126 4.764 63 HA ASP 10 HA ASP 10 4.920 3.894 6.228 64 1HB ASP 10 1HB ASP 10 2.693 4.149 7.367 65 2HB ASP 10 2HB ASP 10 2.748 2.426 7.753 66 HD2 ASP 10 HD2 ASP 10 4.417 4.884 10.241 67 H PHE 11 H PHE 11 3.366 0.623 6.481 68 HA PHE 11 HA PHE 11 6.040 -0.529 6.997 69 1HB PHE 11 1HB PHE 11 3.967 -2.518 6.926 70 2HB PHE 11 2HB PHE 11 5.053 -2.040 8.203 71 HD1 PHE 11 HD1 PHE 11 1.681 -2.415 7.391 72 HD2 PHE 11 HD2 PHE 11 4.361 0.285 9.424 73 HE1 PHE 11 HE1 PHE 11 -0.152 -1.732 8.895 74 HE2 PHE 11 HE2 PHE 11 2.491 1.062 10.846 75 HZ PHE 11 HZ PHE 11 0.239 0.026 10.625 76 H CYS 12 H CYS 12 7.171 -0.743 5.146 77 HA CYS 12 HA CYS 12 5.893 -2.007 2.778 78 1HB CYS 12 1HB CYS 12 7.605 -0.848 1.465 79 2HB CYS 12 2HB CYS 12 6.403 0.164 2.236 80 HA PRO 13 HA PRO 13 9.201 -5.004 4.098 81 1HB PRO 13 1HB PRO 13 7.702 -7.289 3.896 82 2HB PRO 13 2HB PRO 13 7.747 -6.285 5.373 83 1HG PRO 13 1HG PRO 13 5.693 -6.192 3.145 84 2HG PRO 13 2HG PRO 13 5.392 -6.324 4.907 85 1HD PRO 13 1HD PRO 13 5.278 -3.947 3.635 86 2HD PRO 13 2HD PRO 13 6.015 -4.056 5.258 87 H CYS 14 H CYS 14 10.205 -6.520 2.650 88 HA CYS 14 HA CYS 14 9.294 -6.489 -0.155 89 1HB CYS 14 1HB CYS 14 12.119 -5.804 0.746 90 2HB CYS 14 2HB CYS 14 11.447 -5.630 -0.867 91 H THR 15 H THR 15 10.666 -7.865 -1.544 92 HA THR 15 HA THR 15 11.561 -10.358 -0.247 93 HB THR 15 HB THR 15 11.948 -11.057 -2.585 94 HG1 THR 15 HG1 THR 15 11.595 -9.709 -4.240 95 1HG2 THR 15 1HG2 THR 15 9.692 -11.365 -1.566 96 2HG2 THR 15 2HG2 THR 15 9.187 -9.805 -2.253 97 3HG2 THR 15 3HG2 THR 15 9.629 -11.146 -3.326 98 H ARG 16 H ARG 16 13.738 -11.161 -0.770 99 HA ARG 16 HA ARG 16 15.805 -9.017 -1.151 100 1HB ARG 16 1HB ARG 16 16.011 -11.730 0.201 101 2HB ARG 16 2HB ARG 16 17.334 -10.575 -0.055 102 1HG ARG 16 1HG ARG 16 16.111 -8.882 1.312 103 2HG ARG 16 2HG ARG 16 14.848 -10.085 1.630 104 1HD ARG 16 1HD ARG 16 16.554 -11.569 2.711 105 2HD ARG 16 2HD ARG 16 17.804 -10.376 2.338 106 HE ARG 16 HE ARG 16 17.244 -9.201 4.177 107 1HH1 ARG 16 1HH1 ARG 16 14.415 -11.186 3.349 108 2HH1 ARG 16 2HH1 ARG 16 13.480 -10.643 4.717 109 1HH2 ARG 16 1HH2 ARG 16 16.031 -8.548 5.993 110 2HH2 ARG 16 2HH2 ARG 16 14.415 -9.153 6.241 111 H SER 17 H SER 17 14.252 -10.144 -3.316 112 HA SER 17 HA SER 17 15.900 -12.164 -4.620 113 1HB SER 17 1HB SER 17 14.120 -11.883 -6.388 114 2HB SER 17 2HB SER 17 13.546 -12.367 -4.805 115 HG SER 17 HG SER 17 13.480 -9.772 -5.946 116 H ILE 18 H ILE 18 16.026 -11.617 -7.103 117 HA ILE 18 HA ILE 18 17.580 -9.109 -7.438 118 HB ILE 18 HB ILE 18 19.052 -10.878 -7.170 119 1HG1 ILE 18 1HG1 ILE 18 20.280 -10.944 -9.305 120 2HG1 ILE 18 2HG1 ILE 18 18.870 -10.337 -10.175 121 1HG2 ILE 18 1HG2 ILE 18 17.652 -12.851 -7.607 122 2HG2 ILE 18 2HG2 ILE 18 17.752 -12.537 -9.353 123 3HG2 ILE 18 3HG2 ILE 18 19.207 -12.906 -8.428 124 1HD1 ILE 18 1HD1 ILE 18 20.591 -8.595 -9.669 125 2HD1 ILE 18 2HD1 ILE 18 19.011 -8.198 -8.981 126 3HD1 ILE 18 3HD1 ILE 18 20.301 -8.839 -7.934 127 HA PRO 19 HA PRO 19 16.810 -7.236 -7.981 128 1HB PRO 19 1HB PRO 19 14.904 -5.471 -8.640 129 2HB PRO 19 2HB PRO 19 16.252 -5.857 -9.744 130 1HG PRO 19 1HG PRO 19 13.442 -6.996 -9.792 131 2HG PRO 19 2HG PRO 19 14.364 -6.296 -11.155 132 1HD PRO 19 1HD PRO 19 14.270 -8.996 -10.669 133 2HD PRO 19 2HD PRO 19 15.735 -8.212 -11.327 134 HA PRO 20 HA PRO 20 13.750 -8.004 -4.731 135 1HB PRO 20 1HB PRO 20 14.005 -5.869 -3.117 136 2HB PRO 20 2HB PRO 20 15.350 -7.022 -3.366 137 1HG PRO 20 1HG PRO 20 14.924 -4.377 -4.799 138 2HG PRO 20 2HG PRO 20 16.399 -4.926 -3.951 139 1HD PRO 20 1HD PRO 20 16.094 -5.226 -6.641 140 2HD PRO 20 2HD PRO 20 16.906 -6.483 -5.663 141 H GLN 21 H GLN 21 11.587 -7.509 -4.232 142 HA GLN 21 HA GLN 21 10.302 -5.145 -5.523 143 1HB GLN 21 1HB GLN 21 9.386 -8.038 -5.243 144 2HB GLN 21 2HB GLN 21 8.312 -6.704 -5.627 145 1HG GLN 21 1HG GLN 21 8.860 -6.789 -7.806 146 2HG GLN 21 2HG GLN 21 10.566 -6.554 -7.445 147 1HE2 GLN 21 1HE2 GLN 21 11.836 -8.514 -6.790 148 2HE2 GLN 21 2HE2 GLN 21 11.387 -10.058 -7.478 149 H CYS 22 H CYS 22 9.121 -3.962 -4.148 150 HA CYS 22 HA CYS 22 8.650 -4.917 -1.371 151 1HB CYS 22 1HB CYS 22 8.895 -2.090 -2.425 152 2HB CYS 22 2HB CYS 22 8.542 -2.545 -0.762 153 H GLN 23 H GLN 23 6.668 -4.470 -0.404 154 HA GLN 23 HA GLN 23 4.507 -3.305 -2.053 155 1HB GLN 23 1HB GLN 23 4.307 -5.704 -2.399 156 2HB GLN 23 2HB GLN 23 4.368 -6.019 -0.654 157 1HG GLN 23 1HG GLN 23 2.234 -5.050 -0.269 158 2HG GLN 23 2HG GLN 23 2.248 -4.201 -1.823 159 1HE2 GLN 23 1HE2 GLN 23 2.357 -5.640 -3.814 160 2HE2 GLN 23 2HE2 GLN 23 1.420 -7.120 -3.796 161 H CYS 24 H CYS 24 2.812 -2.443 -0.771 162 HA CYS 24 HA CYS 24 3.668 -1.619 1.967 163 1HB CYS 24 1HB CYS 24 1.975 -0.383 -0.198 164 2HB CYS 24 2HB CYS 24 1.870 0.154 1.483 165 H THR 25 H THR 25 2.721 -2.545 3.567 166 HA THR 25 HA THR 25 0.368 -4.294 3.062 167 HB THR 25 HB THR 25 1.314 -5.583 4.977 168 HG1 THR 25 HG1 THR 25 3.423 -3.685 4.758 169 1HG2 THR 25 1HG2 THR 25 3.280 -5.081 2.706 170 2HG2 THR 25 2HG2 THR 25 3.208 -6.504 3.766 171 3HG2 THR 25 3HG2 THR 25 1.872 -6.161 2.652 172 H ASP 26 H ASP 26 0.518 -1.264 4.111 173 HA ASP 26 HA ASP 26 -0.890 -1.374 6.582 174 1HB ASP 26 1HB ASP 26 -0.817 0.645 4.309 175 2HB ASP 26 2HB ASP 26 -1.600 0.896 5.857 176 HD2 ASP 26 HD2 ASP 26 1.245 1.236 7.769 177 H VAL 27 H VAL 27 -3.119 -1.022 6.867 178 HA VAL 27 HA VAL 27 -4.938 -1.977 4.719 179 HB VAL 27 HB VAL 27 -4.882 -3.034 7.577 180 1HG1 VAL 27 1HG1 VAL 27 -6.632 -3.775 5.186 181 2HG1 VAL 27 2HG1 VAL 27 -6.631 -4.586 6.767 182 3HG1 VAL 27 3HG1 VAL 27 -7.167 -2.911 6.642 183 1HG2 VAL 27 1HG2 VAL 27 -3.041 -4.024 6.303 184 2HG2 VAL 27 2HG2 VAL 27 -4.330 -5.216 6.465 185 3HG2 VAL 27 3HG2 VAL 27 -4.122 -4.348 4.927 186 H ARG 28 H ARG 28 -6.532 -0.526 4.491 187 HA ARG 28 HA ARG 28 -7.436 1.288 6.617 188 1HB ARG 28 1HB ARG 28 -5.141 1.828 4.850 189 2HB ARG 28 2HB ARG 28 -6.367 3.045 4.614 190 1HG ARG 28 1HG ARG 28 -5.315 2.238 7.360 191 2HG ARG 28 2HG ARG 28 -4.607 3.514 6.378 192 1HD ARG 28 1HD ARG 28 -7.519 3.499 7.293 193 2HD ARG 28 2HD ARG 28 -6.222 4.334 8.133 194 HE ARG 28 HE ARG 28 -7.555 5.123 5.667 195 1HH1 ARG 28 1HH1 ARG 28 -4.599 5.575 7.605 196 2HH1 ARG 28 2HH1 ARG 28 -4.187 7.083 6.837 197 1HH2 ARG 28 1HH2 ARG 28 -6.965 7.055 4.640 198 2HH2 ARG 28 2HH2 ARG 28 -5.529 7.918 5.130 199 H GLU 29 H GLU 29 -8.423 3.319 4.885 200 HA GLU 29 HA GLU 29 -10.615 2.021 3.550 201 1HB GLU 29 1HB GLU 29 -10.420 4.314 4.832 202 2HB GLU 29 2HB GLU 29 -9.784 4.938 3.318 203 1HG GLU 29 1HG GLU 29 -12.148 5.382 3.530 204 2HG GLU 29 2HG GLU 29 -11.940 4.210 2.222 205 HE2 GLU 29 HE2 GLU 29 -13.749 3.062 5.669 206 H LYS 30 H LYS 30 -10.317 4.194 1.284 207 HA LYS 30 HA LYS 30 -9.483 2.324 -0.652 208 1HB LYS 30 1HB LYS 30 -9.592 5.327 -0.971 209 2HB LYS 30 2HB LYS 30 -9.691 4.122 -2.237 210 1HG LYS 30 1HG LYS 30 -11.902 4.004 -2.079 211 2HG LYS 30 2HG LYS 30 -11.808 3.497 -0.392 212 1HD LYS 30 1HD LYS 30 -11.724 5.872 0.323 213 2HD LYS 30 2HD LYS 30 -11.763 6.389 -1.377 214 1HE LYS 30 1HE LYS 30 -13.982 5.349 -1.672 215 2HE LYS 30 2HE LYS 30 -13.953 4.771 0.006 216 1HZ LYS 30 1HZ LYS 30 -13.902 7.046 0.724 217 2HZ LYS 30 2HZ LYS 30 -13.926 7.586 -0.833 218 3HZ LYS 30 3HZ LYS 30 -15.218 6.766 -0.225 219 H CYS 31 H CYS 31 -7.722 2.482 -2.157 220 HA CYS 31 HA CYS 31 -5.206 2.749 -0.765 221 1HB CYS 31 1HB CYS 31 -5.896 1.904 -3.597 222 2HB CYS 31 2HB CYS 31 -4.314 1.839 -2.863 223 H HIS 32 H HIS 32 -3.308 3.718 -2.034 224 HA HIS 32 HA HIS 32 -3.964 6.522 -2.468 225 1HB HIS 32 1HB HIS 32 -1.629 6.927 -2.341 226 2HB HIS 32 2HB HIS 32 -2.242 6.109 -0.950 227 HD1 HIS 32 HD1 HIS 32 0.385 5.895 -3.569 228 HD2 HIS 32 HD2 HIS 32 -1.417 3.405 -0.705 229 HE1 HIS 32 HE1 HIS 32 1.945 3.903 -3.232 230 HE2 HIS 32 HE2 HIS 32 0.857 2.353 -1.496 231 H SER 33 H SER 33 -2.569 7.691 -4.021 232 HA SER 33 HA SER 33 -3.490 7.245 -6.617 233 1HB SER 33 1HB SER 33 -2.818 9.429 -5.680 234 2HB SER 33 2HB SER 33 -1.124 8.902 -5.758 235 HG SER 33 HG SER 33 -1.669 10.105 -7.588 236 H ALA 34 H ALA 34 -0.495 6.186 -5.141 237 HA ALA 34 HA ALA 34 0.560 5.181 -7.763 238 1HB ALA 34 1HB ALA 34 2.729 5.235 -6.770 239 2HB ALA 34 2HB ALA 34 1.966 6.812 -6.478 240 3HB ALA 34 3HB ALA 34 2.067 5.613 -5.168 241 H CYS 35 H CYS 35 -1.546 3.833 -6.612 242 HA CYS 35 HA CYS 35 -0.349 1.189 -6.193 243 1HB CYS 35 1HB CYS 35 -0.624 1.878 -3.942 244 2HB CYS 35 2HB CYS 35 -2.229 2.549 -4.247 245 H LYS 36 H LYS 36 -1.203 0.076 -7.801 246 HA LYS 36 HA LYS 36 -3.546 1.140 -9.231 247 1HB LYS 36 1HB LYS 36 -1.258 -0.749 -9.924 248 2HB LYS 36 2HB LYS 36 -2.528 -0.257 -11.038 249 1HG LYS 36 1HG LYS 36 -1.826 2.135 -10.760 250 2HG LYS 36 2HG LYS 36 -0.552 1.616 -9.637 251 1HD LYS 36 1HD LYS 36 0.416 0.172 -11.427 252 2HD LYS 36 2HD LYS 36 -0.798 0.806 -12.561 253 1HE LYS 36 1HE LYS 36 0.078 3.110 -12.189 254 2HE LYS 36 2HE LYS 36 1.294 2.465 -11.068 255 1HZ LYS 36 1HZ LYS 36 2.160 2.801 -13.274 256 2HZ LYS 36 2HZ LYS 36 2.210 1.205 -12.863 257 3HZ LYS 36 3HZ LYS 36 1.057 1.752 -13.906 258 H SER 37 H SER 37 -2.274 -1.836 -7.841 259 HA SER 37 HA SER 37 -4.901 -3.211 -8.253 260 1HB SER 37 1HB SER 37 -2.868 -4.388 -8.999 261 2HB SER 37 2HB SER 37 -2.273 -4.397 -7.322 262 HG SER 37 HG SER 37 -4.253 -5.505 -6.793 263 H CYS 38 H CYS 38 -6.169 -2.699 -6.725 264 HA CYS 38 HA CYS 38 -5.333 -2.487 -3.865 265 1HB CYS 38 1HB CYS 38 -6.034 -0.341 -4.906 266 2HB CYS 38 2HB CYS 38 -7.611 -1.054 -5.274 267 H LEU 39 H LEU 39 -6.346 -3.897 -2.579 268 HA LEU 39 HA LEU 39 -8.630 -5.532 -3.575 269 1HB LEU 39 1HB LEU 39 -5.959 -6.369 -3.554 270 2HB LEU 39 2HB LEU 39 -6.540 -6.959 -2.009 271 HG LEU 39 HG LEU 39 -6.734 -8.699 -3.592 272 1HD1 LEU 39 1HD1 LEU 39 -9.564 -7.644 -3.367 273 2HD1 LEU 39 2HD1 LEU 39 -9.029 -9.321 -3.546 274 3HD1 LEU 39 3HD1 LEU 39 -8.668 -8.444 -2.047 275 1HD2 LEU 39 1HD2 LEU 39 -6.613 -7.323 -5.646 276 2HD2 LEU 39 2HD2 LEU 39 -7.886 -8.553 -5.728 277 3HD2 LEU 39 3HD2 LEU 39 -8.312 -6.856 -5.434 278 H CYS 40 H CYS 40 -9.929 -6.394 -1.874 279 HA CYS 40 HA CYS 40 -9.397 -5.334 0.844 280 1HB CYS 40 1HB CYS 40 -12.102 -5.194 -0.493 281 2HB CYS 40 2HB CYS 40 -11.586 -4.367 0.968 282 H THR 41 H THR 41 -10.678 -6.246 2.511 283 HA THR 41 HA THR 41 -11.015 -9.144 2.060 284 HB THR 41 HB THR 41 -9.741 -8.410 3.999 285 HG1 THR 41 HG1 THR 41 -10.800 -9.776 5.424 286 1HG2 THR 41 1HG2 THR 41 -10.890 -6.346 4.644 287 2HG2 THR 41 2HG2 THR 41 -12.371 -7.247 5.028 288 3HG2 THR 41 3HG2 THR 41 -10.895 -7.494 5.982 289 H ARG 42 H ARG 42 -12.915 -10.280 2.694 290 HA ARG 42 HA ARG 42 -15.427 -8.847 2.120 291 1HB ARG 42 1HB ARG 42 -16.354 -11.055 1.835 292 2HB ARG 42 2HB ARG 42 -14.914 -10.836 0.832 293 1HG ARG 42 1HG ARG 42 -13.581 -12.174 2.400 294 2HG ARG 42 2HG ARG 42 -14.956 -12.276 3.521 295 1HD ARG 42 1HD ARG 42 -14.727 -14.349 2.244 296 2HD ARG 42 2HD ARG 42 -16.257 -13.529 1.875 297 HE ARG 42 HE ARG 42 -14.225 -12.728 0.016 298 1HH1 ARG 42 1HH1 ARG 42 -16.249 -15.540 0.794 299 2HH1 ARG 42 2HH1 ARG 42 -16.333 -16.094 -0.859 300 1HH2 ARG 42 1HH2 ARG 42 -14.352 -13.464 -2.150 301 2HH2 ARG 42 2HH2 ARG 42 -15.243 -14.914 -2.535 302 H SER 43 H SER 43 -13.708 -9.068 4.847 303 HA SER 43 HA SER 43 -15.470 -10.250 6.721 304 1HB SER 43 1HB SER 43 -13.310 -8.135 7.096 305 2HB SER 43 2HB SER 43 -13.960 -9.213 8.336 306 HG SER 43 HG SER 43 -12.550 -10.026 6.015 307 H PHE 44 H PHE 44 -16.033 -8.679 8.700 308 HA PHE 44 HA PHE 44 -17.411 -6.232 7.709 309 1HB PHE 44 1HB PHE 44 -19.053 -7.902 8.256 310 2HB PHE 44 2HB PHE 44 -18.325 -8.163 9.841 311 HD1 PHE 44 HD1 PHE 44 -19.962 -5.552 7.688 312 HD2 PHE 44 HD2 PHE 44 -18.933 -6.772 11.697 313 HE1 PHE 44 HE1 PHE 44 -21.314 -3.688 8.608 314 HE2 PHE 44 HE2 PHE 44 -20.300 -4.918 12.608 315 HZ PHE 44 HZ PHE 44 -21.484 -3.366 11.068 316 HA PRO 45 HA PRO 45 -17.183 -4.107 7.967 317 1HB PRO 45 1HB PRO 45 -15.352 -2.113 7.843 318 2HB PRO 45 2HB PRO 45 -16.572 -2.219 9.143 319 1HG PRO 45 1HG PRO 45 -13.699 -3.186 9.245 320 2HG PRO 45 2HG PRO 45 -14.536 -2.126 10.417 321 1HD PRO 45 1HD PRO 45 -14.336 -4.816 10.815 322 2HD PRO 45 2HD PRO 45 -15.826 -3.938 11.260 323 HA PRO 46 HA PRO 46 -14.223 -5.628 4.784 324 1HB PRO 46 1HB PRO 46 -15.123 -4.329 2.582 325 2HB PRO 46 2HB PRO 46 -16.052 -5.657 3.338 326 1HG PRO 46 1HG PRO 46 -16.461 -2.678 3.699 327 2HG PRO 46 2HG PRO 46 -17.696 -3.923 3.360 328 1HD PRO 46 1HD PRO 46 -17.143 -2.983 5.893 329 2HD PRO 46 2HD PRO 46 -17.683 -4.665 5.597 330 H GLN 47 H GLN 47 -12.213 -4.800 4.216 331 HA GLN 47 HA GLN 47 -11.696 -1.903 4.323 332 1HB GLN 47 1HB GLN 47 -11.727 -2.846 6.680 333 2HB GLN 47 2HB GLN 47 -10.319 -3.833 6.247 334 1HG GLN 47 1HG GLN 47 -9.036 -1.794 5.772 335 2HG GLN 47 2HG GLN 47 -10.465 -0.789 6.085 336 1HE2 GLN 47 1HE2 GLN 47 -7.880 -0.639 7.455 337 2HE2 GLN 47 2HE2 GLN 47 -8.211 -0.966 9.144 338 H CYS 48 H CYS 48 -9.703 -1.334 3.350 339 HA CYS 48 HA CYS 48 -8.961 -3.380 1.359 340 1HB CYS 48 1HB CYS 48 -9.206 -0.392 1.237 341 2HB CYS 48 2HB CYS 48 -8.667 -1.404 -0.100 342 H ARG 49 H ARG 49 -6.977 -3.094 0.214 343 HA ARG 49 HA ARG 49 -4.576 -2.339 1.773 344 1HB ARG 49 1HB ARG 49 -5.202 -4.516 2.625 345 2HB ARG 49 2HB ARG 49 -5.463 -5.132 0.977 346 1HG ARG 49 1HG ARG 49 -3.070 -4.907 0.499 347 2HG ARG 49 2HG ARG 49 -2.777 -4.254 2.116 348 1HD ARG 49 1HD ARG 49 -2.195 -6.629 2.071 349 2HD ARG 49 2HD ARG 49 -3.627 -6.383 3.083 350 HE ARG 49 HE ARG 49 -4.758 -7.808 1.746 351 1HH1 ARG 49 1HH1 ARG 49 -2.142 -6.468 -0.279 352 2HH1 ARG 49 2HH1 ARG 49 -2.652 -7.335 -1.702 353 1HH2 ARG 49 1HH2 ARG 49 -5.404 -8.897 -0.135 354 2HH2 ARG 49 2HH2 ARG 49 -4.489 -8.744 -1.612 355 H CYS 50 H CYS 50 -2.696 -2.470 0.437 356 HA CYS 50 HA CYS 50 -3.164 -2.214 -2.482 357 1HB CYS 50 1HB CYS 50 -0.963 -1.433 -0.574 358 2HB CYS 50 2HB CYS 50 -0.609 -1.657 -2.282 359 H TYR 51 H TYR 51 -2.836 -3.849 -3.785 360 HA TYR 51 HA TYR 51 -1.008 -6.072 -3.024 361 1HB TYR 51 1HB TYR 51 -3.615 -6.208 -3.866 362 2HB TYR 51 2HB TYR 51 -2.803 -6.301 -5.412 363 HD1 TYR 51 HD1 TYR 51 -4.589 -8.378 -4.190 364 HD2 TYR 51 HD2 TYR 51 -0.307 -7.958 -4.188 365 HE1 TYR 51 HE1 TYR 51 -4.353 -10.763 -3.569 366 HE2 TYR 51 HE2 TYR 51 -0.068 -10.324 -3.562 367 HH TYR 51 HH TYR 51 -2.901 -12.441 -2.961 368 H ASP 52 H ASP 52 -0.504 -3.239 -4.127 369 HA ASP 52 HA ASP 52 0.426 -3.641 -6.852 370 1HB ASP 52 1HB ASP 52 -0.688 -1.582 -6.087 371 2HB ASP 52 2HB ASP 52 0.602 -1.300 -4.907 372 HD2 ASP 52 HD2 ASP 52 2.956 -0.299 -7.338 373 H ILE 53 H ILE 53 2.597 -3.478 -7.504 374 HA ILE 53 HA ILE 53 4.670 -4.142 -5.456 375 HB ILE 53 HB ILE 53 4.531 -4.704 -8.444 376 1HG1 ILE 53 1HG1 ILE 53 2.980 -6.160 -7.168 377 2HG1 ILE 53 2HG1 ILE 53 4.292 -7.031 -7.951 378 1HG2 ILE 53 1HG2 ILE 53 6.663 -5.350 -6.380 379 2HG2 ILE 53 2HG2 ILE 53 6.573 -6.117 -7.985 380 3HG2 ILE 53 3HG2 ILE 53 6.839 -4.376 -7.848 381 1HD1 ILE 53 1HD1 ILE 53 3.821 -7.876 -5.677 382 2HD1 ILE 53 2HD1 ILE 53 5.481 -7.284 -5.825 383 3HD1 ILE 53 3HD1 ILE 53 4.253 -6.306 -4.988 384 H THR 54 H THR 54 6.353 -2.759 -5.226 385 HA THR 54 HA THR 54 7.161 -1.065 -7.495 386 HB THR 54 HB THR 54 7.719 0.790 -5.877 387 HG1 THR 54 HG1 THR 54 7.420 -0.240 -3.920 388 1HG2 THR 54 1HG2 THR 54 5.549 1.860 -5.949 389 2HG2 THR 54 2HG2 THR 54 5.765 0.930 -7.448 390 3HG2 THR 54 3HG2 THR 54 4.734 0.301 -6.139 391 H ASP 55 H ASP 55 9.401 -0.666 -7.471 392 HA ASP 55 HA ASP 55 11.095 -2.520 -6.050 393 1HB ASP 55 1HB ASP 55 11.671 0.074 -7.544 394 2HB ASP 55 2HB ASP 55 12.900 -1.052 -6.960 395 HD2 ASP 55 HD2 ASP 55 12.154 -3.529 -9.385 396 H PHE 56 H PHE 56 9.980 0.764 -5.545 397 HA PHE 56 HA PHE 56 11.765 1.233 -3.218 398 1HB PHE 56 1HB PHE 56 11.059 3.637 -3.650 399 2HB PHE 56 2HB PHE 56 11.955 2.856 -4.919 400 HD1 PHE 56 HD1 PHE 56 11.043 2.607 -7.129 401 HD2 PHE 56 HD2 PHE 56 8.496 3.865 -3.876 402 HE1 PHE 56 HE1 PHE 56 9.225 3.102 -8.737 403 HE2 PHE 56 HE2 PHE 56 6.670 4.288 -5.490 404 HZ PHE 56 HZ PHE 56 7.038 3.960 -7.918 405 H CYS 57 H CYS 57 10.528 3.055 -1.840 406 HA CYS 57 HA CYS 57 7.804 2.235 -1.033 407 1HB CYS 57 1HB CYS 57 9.270 0.912 0.349 408 2HB CYS 57 2HB CYS 57 10.279 2.315 0.735 409 H TYR 58 H TYR 58 6.708 3.926 0.056 410 HA TYR 58 HA TYR 58 7.715 6.646 -0.495 411 1HB TYR 58 1HB TYR 58 5.018 5.417 0.199 412 2HB TYR 58 2HB TYR 58 5.278 7.145 0.198 413 HD1 TYR 58 HD1 TYR 58 4.673 4.221 -1.875 414 HD2 TYR 58 HD2 TYR 58 5.999 8.326 -1.928 415 HE1 TYR 58 HE1 TYR 58 4.360 4.298 -4.333 416 HE2 TYR 58 HE2 TYR 58 5.715 8.389 -4.382 417 HH TYR 58 HH TYR 58 5.216 7.182 -6.281 418 HA PRO 59 HA PRO 59 8.565 7.397 3.821 419 1HB PRO 59 1HB PRO 59 7.740 9.990 4.215 420 2HB PRO 59 2HB PRO 59 9.191 9.551 3.266 421 1HG PRO 59 1HG PRO 59 6.403 10.114 2.215 422 2HG PRO 59 2HG PRO 59 7.943 10.837 1.660 423 1HD PRO 59 1HD PRO 59 6.854 8.748 0.358 424 2HD PRO 59 2HD PRO 59 8.617 8.782 0.633 425 H SER 60 H SER 60 7.480 7.716 5.932 426 HA SER 60 HA SER 60 5.206 6.209 6.024 427 1HB SER 60 1HB SER 60 6.068 8.071 8.191 428 2HB SER 60 2HB SER 60 5.239 6.538 8.354 429 HG SER 60 HG SER 60 7.096 5.516 7.448 430 H CYS 61 H CYS 61 3.110 6.595 6.427 431 HA CYS 61 HA CYS 61 1.963 9.167 5.622 432 1HB CYS 61 1HB CYS 61 1.233 6.720 5.008 433 2HB CYS 61 2HB CYS 61 0.303 6.800 6.491 434 H SER 62 H SER 62 -0.007 9.892 6.822 435 HA SER 62 HA SER 62 0.311 9.899 9.788 436 1HB SER 62 1HB SER 62 0.158 12.093 8.704 437 2HB SER 62 2HB SER 62 -1.371 11.625 7.926 438 HG SER 62 HG SER 62 -1.699 12.811 9.844 Start of MODEL 4 1 1H THR 1 1H THR 1 2.730 27.484 -3.835 2 2H THR 1 2H THR 1 2.483 25.877 -4.125 3 3H THR 1 3H THR 1 2.156 26.993 -5.300 4 HA THR 1 HA THR 1 0.759 26.850 -2.737 5 HB THR 1 HB THR 1 -0.848 28.377 -3.835 6 HG1 THR 1 HG1 THR 1 -0.329 27.947 -5.991 7 1HG2 THR 1 1HG2 THR 1 1.997 29.486 -3.788 8 2HG2 THR 1 2HG2 THR 1 0.489 30.402 -3.636 9 3HG2 THR 1 3HG2 THR 1 0.957 29.262 -2.360 10 H LYS 2 H LYS 2 0.724 24.496 -3.082 11 HA LYS 2 HA LYS 2 -1.765 23.695 -4.292 12 1HB LYS 2 1HB LYS 2 -0.308 23.580 -6.284 13 2HB LYS 2 2HB LYS 2 0.862 22.586 -5.401 14 1HG LYS 2 1HG LYS 2 -0.722 20.747 -5.242 15 2HG LYS 2 2HG LYS 2 -2.036 21.765 -5.877 16 1HD LYS 2 1HD LYS 2 -0.797 21.973 -8.024 17 2HD LYS 2 2HD LYS 2 0.478 20.914 -7.377 18 1HE LYS 2 1HE LYS 2 -1.174 19.083 -7.099 19 2HE LYS 2 2HE LYS 2 -2.467 20.150 -7.678 20 1HZ LYS 2 1HZ LYS 2 -1.717 18.754 -9.412 21 2HZ LYS 2 2HZ LYS 2 -1.300 20.308 -9.766 22 3HZ LYS 2 3HZ LYS 2 -0.153 19.246 -9.241 23 H SER 3 H SER 3 -2.398 21.611 -3.493 24 HA SER 3 HA SER 3 -0.591 20.042 -1.840 25 1HB SER 3 1HB SER 3 -3.016 21.462 -0.648 26 2HB SER 3 2HB SER 3 -2.251 20.043 0.093 27 HG SER 3 HG SER 3 -0.774 22.356 -0.573 28 H THR 4 H THR 4 -1.464 17.930 -1.427 29 HA THR 4 HA THR 4 -4.009 17.110 -2.493 30 HB THR 4 HB THR 4 -2.752 17.425 -4.615 31 HG1 THR 4 HG1 THR 4 -3.059 14.679 -4.065 32 1HG2 THR 4 1HG2 THR 4 -0.440 17.005 -3.767 33 2HG2 THR 4 2HG2 THR 4 -0.844 15.285 -3.570 34 3HG2 THR 4 3HG2 THR 4 -0.843 16.019 -5.183 35 H THR 5 H THR 5 -4.199 14.707 -2.345 36 HA THR 5 HA THR 5 -2.893 13.648 0.062 37 HB THR 5 HB THR 5 -5.181 13.225 -0.029 38 HG1 THR 5 HG1 THR 5 -3.825 10.899 -0.892 39 1HG2 THR 5 1HG2 THR 5 -6.321 11.949 -1.821 40 2HG2 THR 5 2HG2 THR 5 -5.797 13.545 -2.355 41 3HG2 THR 5 3HG2 THR 5 -4.889 12.101 -2.851 42 H THR 6 H THR 6 -0.738 13.717 -0.752 43 HA THR 6 HA THR 6 0.246 12.402 -3.032 44 HB THR 6 HB THR 6 2.398 12.438 -1.786 45 HG1 THR 6 HG1 THR 6 1.430 12.123 0.310 46 1HG2 THR 6 1HG2 THR 6 1.618 14.434 -3.041 47 2HG2 THR 6 2HG2 THR 6 0.826 15.041 -1.570 48 3HG2 THR 6 3HG2 THR 6 2.588 14.864 -1.620 49 H ALA 7 H ALA 7 1.334 10.412 -3.309 50 HA ALA 7 HA ALA 7 0.108 8.110 -2.186 51 1HB ALA 7 1HB ALA 7 2.730 8.425 -3.700 52 2HB ALA 7 2HB ALA 7 1.895 6.889 -3.383 53 3HB ALA 7 3HB ALA 7 1.127 8.123 -4.406 54 H CYS 8 H CYS 8 0.343 7.304 -0.207 55 HA CYS 8 HA CYS 8 3.008 7.265 1.093 56 1HB CYS 8 1HB CYS 8 1.937 7.747 3.247 57 2HB CYS 8 2HB CYS 8 2.151 9.077 2.155 58 H CYS 9 H CYS 9 3.105 5.860 2.867 59 HA CYS 9 HA CYS 9 1.402 3.575 3.202 60 1HB CYS 9 1HB CYS 9 2.093 2.973 0.985 61 2HB CYS 9 2HB CYS 9 3.782 3.352 1.322 62 H ASP 10 H ASP 10 2.083 2.414 5.008 63 HA ASP 10 HA ASP 10 4.366 3.574 6.514 64 1HB ASP 10 1HB ASP 10 1.823 2.076 7.294 65 2HB ASP 10 2HB ASP 10 3.145 2.422 8.406 66 HD2 ASP 10 HD2 ASP 10 0.459 5.222 7.698 67 H PHE 11 H PHE 11 2.745 0.332 6.537 68 HA PHE 11 HA PHE 11 5.298 -1.007 6.931 69 1HB PHE 11 1HB PHE 11 2.642 -2.230 6.199 70 2HB PHE 11 2HB PHE 11 4.031 -3.015 6.944 71 HD1 PHE 11 HD1 PHE 11 4.275 -0.445 9.012 72 HD2 PHE 11 HD2 PHE 11 1.274 -3.338 7.888 73 HE1 PHE 11 HE1 PHE 11 3.200 -0.197 11.214 74 HE2 PHE 11 HE2 PHE 11 0.183 -3.059 10.087 75 HZ PHE 11 HZ PHE 11 1.136 -1.477 11.762 76 H CYS 12 H CYS 12 6.653 -1.028 5.223 77 HA CYS 12 HA CYS 12 5.644 -1.738 2.511 78 1HB CYS 12 1HB CYS 12 7.186 -0.095 1.625 79 2HB CYS 12 2HB CYS 12 5.934 0.623 2.627 80 HA PRO 13 HA PRO 13 9.317 -4.362 3.861 81 1HB PRO 13 1HB PRO 13 8.222 -6.855 3.539 82 2HB PRO 13 2HB PRO 13 8.023 -5.896 5.034 83 1HG PRO 13 1HG PRO 13 6.101 -6.072 2.693 84 2HG PRO 13 2HG PRO 13 5.740 -6.315 4.431 85 1HD PRO 13 1HD PRO 13 5.289 -3.927 3.248 86 2HD PRO 13 2HD PRO 13 5.991 -3.998 4.890 87 H CYS 14 H CYS 14 10.605 -5.735 2.448 88 HA CYS 14 HA CYS 14 9.728 -5.877 -0.367 89 1HB CYS 14 1HB CYS 14 12.515 -5.110 0.537 90 2HB CYS 14 2HB CYS 14 11.908 -5.143 -1.110 91 H THR 15 H THR 15 10.742 -7.456 -1.589 92 HA THR 15 HA THR 15 11.317 -9.927 -0.127 93 HB THR 15 HB THR 15 11.297 -10.871 -2.456 94 HG1 THR 15 HG1 THR 15 10.544 -8.235 -3.180 95 1HG2 THR 15 1HG2 THR 15 8.876 -9.122 -1.812 96 2HG2 THR 15 2HG2 THR 15 8.910 -10.533 -2.884 97 3HG2 THR 15 3HG2 THR 15 9.187 -10.738 -1.142 98 H ARG 16 H ARG 16 13.162 -11.276 -0.856 99 HA ARG 16 HA ARG 16 15.660 -9.647 -1.103 100 1HB ARG 16 1HB ARG 16 15.182 -12.436 0.016 101 2HB ARG 16 2HB ARG 16 16.724 -11.564 -0.033 102 1HG ARG 16 1HG ARG 16 15.774 -9.783 1.415 103 2HG ARG 16 2HG ARG 16 14.242 -10.678 1.506 104 1HD ARG 16 1HD ARG 16 15.437 -12.617 2.481 105 2HD ARG 16 2HD ARG 16 16.950 -11.683 2.467 106 HE ARG 16 HE ARG 16 15.082 -10.105 3.818 107 1HH1 ARG 16 1HH1 ARG 16 16.590 -13.285 4.279 108 2HH1 ARG 16 2HH1 ARG 16 16.400 -13.266 6.013 109 1HH2 ARG 16 1HH2 ARG 16 14.839 -10.095 6.105 110 2HH2 ARG 16 2HH2 ARG 16 15.408 -11.445 7.051 111 H SER 17 H SER 17 13.855 -10.592 -3.375 112 HA SER 17 HA SER 17 15.417 -12.602 -4.794 113 1HB SER 17 1HB SER 17 13.693 -12.013 -6.576 114 2HB SER 17 2HB SER 17 13.052 -12.627 -5.061 115 HG SER 17 HG SER 17 13.212 -9.919 -5.904 116 H ILE 18 H ILE 18 15.695 -11.896 -7.197 117 HA ILE 18 HA ILE 18 17.147 -9.306 -7.339 118 HB ILE 18 HB ILE 18 18.612 -11.179 -6.956 119 1HG1 ILE 18 1HG1 ILE 18 19.472 -9.178 -7.923 120 2HG1 ILE 18 2HG1 ILE 18 20.308 -10.602 -8.542 121 1HG2 ILE 18 1HG2 ILE 18 17.454 -12.963 -8.211 122 2HG2 ILE 18 2HG2 ILE 18 18.026 -12.247 -9.730 123 3HG2 ILE 18 3HG2 ILE 18 19.187 -12.833 -8.539 124 1HD1 ILE 18 1HD1 ILE 18 20.015 -9.061 -10.346 125 2HD1 ILE 18 2HD1 ILE 18 18.921 -10.415 -10.658 126 3HD1 ILE 18 3HD1 ILE 18 18.288 -8.875 -10.029 127 HA PRO 19 HA PRO 19 16.643 -7.439 -8.182 128 1HB PRO 19 1HB PRO 19 14.705 -5.695 -8.833 129 2HB PRO 19 2HB PRO 19 16.001 -6.142 -9.980 130 1HG PRO 19 1HG PRO 19 13.209 -7.325 -9.811 131 2HG PRO 19 2HG PRO 19 14.016 -6.644 -11.257 132 1HD PRO 19 1HD PRO 19 14.043 -9.321 -10.727 133 2HD PRO 19 2HD PRO 19 15.484 -8.515 -11.412 134 HA PRO 20 HA PRO 20 13.675 -8.089 -4.794 135 1HB PRO 20 1HB PRO 20 14.076 -5.931 -3.229 136 2HB PRO 20 2HB PRO 20 15.350 -7.165 -3.471 137 1HG PRO 20 1HG PRO 20 15.061 -4.526 -4.941 138 2HG PRO 20 2HG PRO 20 16.516 -5.157 -4.120 139 1HD PRO 20 1HD PRO 20 16.116 -5.479 -6.806 140 2HD PRO 20 2HD PRO 20 16.888 -6.761 -5.826 141 H GLN 21 H GLN 21 11.490 -7.661 -4.612 142 HA GLN 21 HA GLN 21 10.325 -5.226 -5.904 143 1HB GLN 21 1HB GLN 21 9.132 -7.929 -5.165 144 2HB GLN 21 2HB GLN 21 8.234 -6.528 -5.722 145 1HG GLN 21 1HG GLN 21 8.554 -7.188 -7.836 146 2HG GLN 21 2HG GLN 21 10.275 -6.831 -7.664 147 1HE2 GLN 21 1HE2 GLN 21 11.720 -8.597 -6.985 148 2HE2 GLN 21 2HE2 GLN 21 11.239 -10.263 -7.205 149 H CYS 22 H CYS 22 9.307 -3.797 -4.584 150 HA CYS 22 HA CYS 22 8.999 -4.423 -1.680 151 1HB CYS 22 1HB CYS 22 9.252 -1.797 -3.111 152 2HB CYS 22 2HB CYS 22 8.905 -1.979 -1.392 153 H GLN 23 H GLN 23 7.057 -4.052 -0.721 154 HA GLN 23 HA GLN 23 4.693 -3.361 -2.374 155 1HB GLN 23 1HB GLN 23 4.989 -6.014 -0.885 156 2HB GLN 23 2HB GLN 23 3.562 -5.438 -1.762 157 1HG GLN 23 1HG GLN 23 4.909 -5.454 -3.878 158 2HG GLN 23 2HG GLN 23 6.274 -6.135 -2.977 159 1HE2 GLN 23 1HE2 GLN 23 6.497 -8.252 -3.482 160 2HE2 GLN 23 2HE2 GLN 23 5.177 -9.395 -3.607 161 H CYS 24 H CYS 24 2.762 -3.091 -1.027 162 HA CYS 24 HA CYS 24 3.467 -2.173 1.723 163 1HB CYS 24 1HB CYS 24 1.426 -1.240 -0.294 164 2HB CYS 24 2HB CYS 24 1.340 -0.807 1.419 165 H THR 25 H THR 25 2.427 -2.912 3.459 166 HA THR 25 HA THR 25 0.431 -5.117 3.084 167 HB THR 25 HB THR 25 1.465 -6.089 5.131 168 HG1 THR 25 HG1 THR 25 3.546 -5.279 5.667 169 1HG2 THR 25 1HG2 THR 25 3.431 -6.993 4.027 170 2HG2 THR 25 2HG2 THR 25 2.107 -6.854 2.854 171 3HG2 THR 25 3HG2 THR 25 3.433 -5.668 2.841 172 H ASP 26 H ASP 26 0.929 -1.996 4.481 173 HA ASP 26 HA ASP 26 -0.631 -2.341 6.826 174 1HB ASP 26 1HB ASP 26 0.861 -0.464 6.540 175 2HB ASP 26 2HB ASP 26 -0.094 0.140 5.166 176 HD2 ASP 26 HD2 ASP 26 -1.781 0.358 8.876 177 H VAL 27 H VAL 27 -2.689 -1.611 7.265 178 HA VAL 27 HA VAL 27 -4.648 -2.125 5.056 179 HB VAL 27 HB VAL 27 -4.776 -2.999 7.966 180 1HG1 VAL 27 1HG1 VAL 27 -7.003 -2.554 6.974 181 2HG1 VAL 27 2HG1 VAL 27 -6.605 -3.606 5.597 182 3HG1 VAL 27 3HG1 VAL 27 -6.746 -4.287 7.230 183 1HG2 VAL 27 1HG2 VAL 27 -4.555 -5.297 6.980 184 2HG2 VAL 27 2HG2 VAL 27 -4.210 -4.565 5.404 185 3HG2 VAL 27 3HG2 VAL 27 -3.098 -4.326 6.765 186 H ARG 28 H ARG 28 -5.928 -0.448 4.662 187 HA ARG 28 HA ARG 28 -6.652 1.551 6.728 188 1HB ARG 28 1HB ARG 28 -4.948 1.911 4.241 189 2HB ARG 28 2HB ARG 28 -5.936 3.263 4.754 190 1HG ARG 28 1HG ARG 28 -4.173 2.038 6.855 191 2HG ARG 28 2HG ARG 28 -3.411 2.951 5.550 192 1HD ARG 28 1HD ARG 28 -3.921 4.359 7.536 193 2HD ARG 28 2HD ARG 28 -4.667 4.920 6.032 194 HE ARG 28 HE ARG 28 -6.257 3.168 7.812 195 1HH1 ARG 28 1HH1 ARG 28 -5.583 6.571 7.036 196 2HH1 ARG 28 2HH1 ARG 28 -7.245 7.062 7.193 197 1HH2 ARG 28 1HH2 ARG 28 -8.419 3.843 8.083 198 2HH2 ARG 28 2HH2 ARG 28 -8.839 5.529 7.899 199 H GLU 29 H GLU 29 -7.938 3.374 5.065 200 HA GLU 29 HA GLU 29 -10.169 1.901 3.931 201 1HB GLU 29 1HB GLU 29 -10.250 4.027 5.309 202 2HB GLU 29 2HB GLU 29 -9.518 4.888 3.962 203 1HG GLU 29 1HG GLU 29 -11.958 5.155 4.164 204 2HG GLU 29 2HG GLU 29 -11.527 4.456 2.608 205 HE2 GLU 29 HE2 GLU 29 -13.368 2.058 5.331 206 H LYS 30 H LYS 30 -9.854 4.425 1.786 207 HA LYS 30 HA LYS 30 -9.293 2.612 -0.300 208 1HB LYS 30 1HB LYS 30 -9.136 5.627 -0.334 209 2HB LYS 30 2HB LYS 30 -9.177 4.610 -1.752 210 1HG LYS 30 1HG LYS 30 -11.473 4.747 0.245 211 2HG LYS 30 2HG LYS 30 -11.363 5.650 -1.270 212 1HD LYS 30 1HD LYS 30 -11.181 3.506 -2.536 213 2HD LYS 30 2HD LYS 30 -11.425 2.611 -1.019 214 1HE LYS 30 1HE LYS 30 -13.625 3.696 -0.718 215 2HE LYS 30 2HE LYS 30 -13.390 4.611 -2.221 216 1HZ LYS 30 1HZ LYS 30 -13.309 2.540 -3.401 217 2HZ LYS 30 2HZ LYS 30 -13.527 1.686 -2.008 218 3HZ LYS 30 3HZ LYS 30 -14.722 2.674 -2.566 219 H CYS 31 H CYS 31 -7.670 2.592 -1.785 220 HA CYS 31 HA CYS 31 -4.997 2.657 -0.608 221 1HB CYS 31 1HB CYS 31 -4.530 1.350 -2.801 222 2HB CYS 31 2HB CYS 31 -5.310 0.607 -1.411 223 H HIS 32 H HIS 32 -3.197 3.466 -1.778 224 HA HIS 32 HA HIS 32 -3.871 6.160 -2.204 225 1HB HIS 32 1HB HIS 32 -1.482 6.604 -2.321 226 2HB HIS 32 2HB HIS 32 -1.982 5.679 -0.944 227 HD1 HIS 32 HD1 HIS 32 -0.109 5.296 -4.256 228 HD2 HIS 32 HD2 HIS 32 -0.694 3.314 -0.598 229 HE1 HIS 32 HE1 HIS 32 1.592 3.420 -4.168 230 HE2 HIS 32 HE2 HIS 32 1.258 2.173 -1.938 231 H SER 33 H SER 33 -2.763 7.583 -3.687 232 HA SER 33 HA SER 33 -3.911 7.546 -6.201 233 1HB SER 33 1HB SER 33 -3.099 9.545 -5.054 234 2HB SER 33 2HB SER 33 -1.427 8.999 -5.290 235 HG SER 33 HG SER 33 -2.145 10.515 -6.874 236 H ALA 34 H ALA 34 -0.724 6.431 -5.263 237 HA ALA 34 HA ALA 34 -0.079 5.581 -8.054 238 1HB ALA 34 1HB ALA 34 1.518 7.067 -6.799 239 2HB ALA 34 2HB ALA 34 1.716 5.776 -5.597 240 3HB ALA 34 3HB ALA 34 2.228 5.510 -7.275 241 H CYS 35 H CYS 35 -1.996 4.107 -6.385 242 HA CYS 35 HA CYS 35 -0.558 1.531 -6.017 243 1HB CYS 35 1HB CYS 35 -1.906 2.438 -4.072 244 2HB CYS 35 2HB CYS 35 -3.350 2.214 -5.070 245 H LYS 36 H LYS 36 -0.894 -0.022 -7.552 246 HA LYS 36 HA LYS 36 -2.851 0.514 -9.717 247 1HB LYS 36 1HB LYS 36 -0.294 -1.116 -9.586 248 2HB LYS 36 2HB LYS 36 -1.337 -0.928 -10.999 249 1HG LYS 36 1HG LYS 36 -0.996 1.589 -10.814 250 2HG LYS 36 2HG LYS 36 0.245 1.276 -9.591 251 1HD LYS 36 1HD LYS 36 0.247 0.288 -12.478 252 2HD LYS 36 2HD LYS 36 1.204 1.632 -11.832 253 1HE LYS 36 1HE LYS 36 2.413 0.075 -10.327 254 2HE LYS 36 2HE LYS 36 1.474 -1.290 -10.971 255 1HZ LYS 36 1HZ LYS 36 2.383 -0.837 -13.119 256 2HZ LYS 36 2HZ LYS 36 3.277 0.415 -12.525 257 3HZ LYS 36 3HZ LYS 36 3.576 -1.126 -12.020 258 H SER 37 H SER 37 -1.495 -2.096 -7.724 259 HA SER 37 HA SER 37 -3.934 -3.770 -8.213 260 1HB SER 37 1HB SER 37 -1.734 -4.846 -8.683 261 2HB SER 37 2HB SER 37 -1.253 -4.568 -7.008 262 HG SER 37 HG SER 37 -3.473 -6.091 -7.924 263 H CYS 38 H CYS 38 -5.324 -3.973 -6.555 264 HA CYS 38 HA CYS 38 -4.609 -3.406 -3.762 265 1HB CYS 38 1HB CYS 38 -5.019 -1.192 -4.771 266 2HB CYS 38 2HB CYS 38 -6.563 -1.745 -5.409 267 H LEU 39 H LEU 39 -6.142 -4.287 -2.331 268 HA LEU 39 HA LEU 39 -8.593 -5.478 -3.415 269 1HB LEU 39 1HB LEU 39 -6.835 -7.164 -3.863 270 2HB LEU 39 2HB LEU 39 -6.464 -7.257 -2.143 271 HG LEU 39 HG LEU 39 -9.327 -7.709 -2.887 272 1HD1 LEU 39 1HD1 LEU 39 -8.221 -8.920 -4.694 273 2HD1 LEU 39 2HD1 LEU 39 -7.133 -9.716 -3.535 274 3HD1 LEU 39 3HD1 LEU 39 -8.875 -10.064 -3.509 275 1HD2 LEU 39 1HD2 LEU 39 -9.182 -9.378 -1.124 276 2HD2 LEU 39 2HD2 LEU 39 -7.411 -9.288 -1.102 277 3HD2 LEU 39 3HD2 LEU 39 -8.373 -7.926 -0.512 278 H CYS 40 H CYS 40 -10.092 -6.016 -1.819 279 HA CYS 40 HA CYS 40 -9.468 -5.168 0.952 280 1HB CYS 40 1HB CYS 40 -12.092 -4.626 -0.465 281 2HB CYS 40 2HB CYS 40 -11.576 -4.006 1.095 282 H THR 41 H THR 41 -10.940 -5.998 2.544 283 HA THR 41 HA THR 41 -11.399 -8.835 2.041 284 HB THR 41 HB THR 41 -11.926 -8.907 4.441 285 HG1 THR 41 HG1 THR 41 -11.652 -7.003 5.652 286 1HG2 THR 41 1HG2 THR 41 -9.712 -8.357 5.283 287 2HG2 THR 41 2HG2 THR 41 -9.589 -9.107 3.679 288 3HG2 THR 41 3HG2 THR 41 -9.378 -7.349 3.857 289 H ARG 42 H ARG 42 -13.319 -9.901 2.511 290 HA ARG 42 HA ARG 42 -15.860 -8.442 2.009 291 1HB ARG 42 1HB ARG 42 -16.722 -10.818 1.754 292 2HB ARG 42 2HB ARG 42 -15.615 -10.234 0.508 293 1HG ARG 42 1HG ARG 42 -13.790 -11.491 1.375 294 2HG ARG 42 2HG ARG 42 -14.681 -11.896 2.864 295 1HD ARG 42 1HD ARG 42 -16.206 -13.328 1.593 296 2HD ARG 42 2HD ARG 42 -15.556 -12.722 0.065 297 HE ARG 42 HE ARG 42 -13.842 -14.187 0.155 298 1HH1 ARG 42 1HH1 ARG 42 -15.149 -13.938 3.450 299 2HH1 ARG 42 2HH1 ARG 42 -14.107 -15.182 4.088 300 1HH2 ARG 42 1HH2 ARG 42 -12.495 -15.815 1.002 301 2HH2 ARG 42 2HH2 ARG 42 -12.591 -16.258 2.684 302 H SER 43 H SER 43 -14.217 -8.368 4.585 303 HA SER 43 HA SER 43 -15.825 -9.806 6.508 304 1HB SER 43 1HB SER 43 -13.570 -7.796 6.821 305 2HB SER 43 2HB SER 43 -14.209 -8.847 8.082 306 HG SER 43 HG SER 43 -13.553 -10.644 6.858 307 H PHE 44 H PHE 44 -16.329 -8.367 8.537 308 HA PHE 44 HA PHE 44 -17.726 -5.872 7.812 309 1HB PHE 44 1HB PHE 44 -19.288 -6.718 9.595 310 2HB PHE 44 2HB PHE 44 -19.381 -7.425 7.983 311 HD1 PHE 44 HD1 PHE 44 -18.589 -9.748 7.556 312 HD2 PHE 44 HD2 PHE 44 -18.806 -8.099 11.539 313 HE1 PHE 44 HE1 PHE 44 -18.475 -12.030 8.514 314 HE2 PHE 44 HE2 PHE 44 -18.664 -10.382 12.486 315 HZ PHE 44 HZ PHE 44 -18.508 -12.353 10.979 316 HA PRO 45 HA PRO 45 -17.223 -3.823 8.166 317 1HB PRO 45 1HB PRO 45 -15.262 -1.960 8.396 318 2HB PRO 45 2HB PRO 45 -16.647 -2.066 9.522 319 1HG PRO 45 1HG PRO 45 -13.876 -3.242 9.911 320 2HG PRO 45 2HG PRO 45 -14.785 -2.191 11.038 321 1HD PRO 45 1HD PRO 45 -14.819 -4.901 11.288 322 2HD PRO 45 2HD PRO 45 -16.302 -3.949 11.572 323 HA PRO 46 HA PRO 46 -14.224 -5.369 5.126 324 1HB PRO 46 1HB PRO 46 -14.737 -3.779 2.988 325 2HB PRO 46 2HB PRO 46 -15.931 -4.962 3.596 326 1HG PRO 46 1HG PRO 46 -15.817 -1.993 4.205 327 2HG PRO 46 2HG PRO 46 -17.228 -2.944 3.663 328 1HD PRO 46 1HD PRO 46 -16.772 -2.383 6.301 329 2HD PRO 46 2HD PRO 46 -17.485 -3.941 5.785 330 H GLN 47 H GLN 47 -12.049 -4.976 4.991 331 HA GLN 47 HA GLN 47 -11.002 -2.212 5.399 332 1HB GLN 47 1HB GLN 47 -10.022 -4.946 6.343 333 2HB GLN 47 2HB GLN 47 -9.127 -3.440 6.493 334 1HG GLN 47 1HG GLN 47 -11.820 -4.063 7.785 335 2HG GLN 47 2HG GLN 47 -10.258 -4.025 8.604 336 1HE2 GLN 47 1HE2 GLN 47 -9.005 -1.769 7.924 337 2HE2 GLN 47 2HE2 GLN 47 -9.979 -0.357 8.276 338 H CYS 48 H CYS 48 -9.430 -1.533 3.991 339 HA CYS 48 HA CYS 48 -8.912 -3.274 1.641 340 1HB CYS 48 1HB CYS 48 -9.163 -0.326 2.072 341 2HB CYS 48 2HB CYS 48 -8.482 -0.992 0.590 342 H ARG 49 H ARG 49 -6.910 -3.148 0.575 343 HA ARG 49 HA ARG 49 -4.601 -1.955 1.937 344 1HB ARG 49 1HB ARG 49 -4.855 -4.003 3.122 345 2HB ARG 49 2HB ARG 49 -5.001 -4.940 1.630 346 1HG ARG 49 1HG ARG 49 -2.471 -3.377 2.197 347 2HG ARG 49 2HG ARG 49 -2.777 -4.873 3.082 348 1HD ARG 49 1HD ARG 49 -2.491 -4.603 0.075 349 2HD ARG 49 2HD ARG 49 -1.362 -5.319 1.202 350 HE ARG 49 HE ARG 49 -2.803 -7.153 1.597 351 1HH1 ARG 49 1HH1 ARG 49 -4.067 -5.052 -1.002 352 2HH1 ARG 49 2HH1 ARG 49 -4.801 -6.375 -1.854 353 1HH2 ARG 49 1HH2 ARG 49 -3.962 -8.811 0.561 354 2HH2 ARG 49 2HH2 ARG 49 -4.860 -8.486 -0.899 355 H CYS 50 H CYS 50 -2.893 -1.737 0.657 356 HA CYS 50 HA CYS 50 -3.440 -1.767 -2.269 357 1HB CYS 50 1HB CYS 50 -2.781 0.391 -1.341 358 2HB CYS 50 2HB CYS 50 -1.360 -0.327 -0.572 359 H TYR 51 H TYR 51 -2.518 -3.312 -3.526 360 HA TYR 51 HA TYR 51 -0.397 -5.025 -2.357 361 1HB TYR 51 1HB TYR 51 -2.903 -5.657 -3.289 362 2HB TYR 51 2HB TYR 51 -1.995 -5.873 -4.751 363 HD1 TYR 51 HD1 TYR 51 -3.568 -7.972 -3.262 364 HD2 TYR 51 HD2 TYR 51 0.625 -6.935 -3.130 365 HE1 TYR 51 HE1 TYR 51 -3.024 -10.230 -2.411 366 HE2 TYR 51 HE2 TYR 51 1.154 -9.189 -2.310 367 HH TYR 51 HH TYR 51 -1.366 -11.659 -1.691 368 H ASP 52 H ASP 52 -0.134 -2.392 -3.965 369 HA ASP 52 HA ASP 52 0.650 -2.937 -6.598 370 1HB ASP 52 1HB ASP 52 0.072 -0.721 -5.687 371 2HB ASP 52 2HB ASP 52 1.551 -0.718 -4.710 372 HD2 ASP 52 HD2 ASP 52 3.056 1.006 -7.304 373 H ILE 53 H ILE 53 2.712 -3.044 -7.587 374 HA ILE 53 HA ILE 53 4.880 -4.192 -5.884 375 HB ILE 53 HB ILE 53 4.560 -4.439 -8.890 376 1HG1 ILE 53 1HG1 ILE 53 2.634 -5.559 -7.989 377 2HG1 ILE 53 2HG1 ILE 53 3.810 -6.751 -8.530 378 1HG2 ILE 53 1HG2 ILE 53 6.322 -5.865 -6.847 379 2HG2 ILE 53 2HG2 ILE 53 6.194 -6.311 -8.559 380 3HG2 ILE 53 3HG2 ILE 53 6.851 -4.739 -8.099 381 1HD1 ILE 53 1HD1 ILE 53 2.808 -7.433 -6.414 382 2HD1 ILE 53 2HD1 ILE 53 4.535 -7.105 -6.169 383 3HD1 ILE 53 3HD1 ILE 53 3.311 -5.928 -5.636 384 H THR 54 H THR 54 6.625 -3.002 -5.637 385 HA THR 54 HA THR 54 7.319 -0.844 -7.538 386 HB THR 54 HB THR 54 7.742 0.674 -5.645 387 HG1 THR 54 HG1 THR 54 6.693 -1.451 -4.094 388 1HG2 THR 54 1HG2 THR 54 4.902 -0.415 -5.430 389 2HG2 THR 54 2HG2 THR 54 5.462 1.205 -4.990 390 3HG2 THR 54 3HG2 THR 54 5.465 0.704 -6.694 391 H ASP 55 H ASP 55 9.540 0.098 -6.342 392 HA ASP 55 HA ASP 55 11.293 -2.196 -5.595 393 1HB ASP 55 1HB ASP 55 11.781 0.170 -7.458 394 2HB ASP 55 2HB ASP 55 13.014 -0.940 -6.868 395 HD2 ASP 55 HD2 ASP 55 11.862 -3.663 -8.861 396 H PHE 56 H PHE 56 9.743 0.340 -4.368 397 HA PHE 56 HA PHE 56 11.879 1.295 -2.557 398 1HB PHE 56 1HB PHE 56 11.042 3.653 -3.156 399 2HB PHE 56 2HB PHE 56 12.025 2.834 -4.338 400 HD1 PHE 56 HD1 PHE 56 11.220 2.506 -6.574 401 HD2 PHE 56 HD2 PHE 56 8.453 3.602 -3.446 402 HE1 PHE 56 HE1 PHE 56 9.415 2.767 -8.252 403 HE2 PHE 56 HE2 PHE 56 6.652 3.802 -5.126 404 HZ PHE 56 HZ PHE 56 7.126 3.422 -7.531 405 H CYS 57 H CYS 57 10.656 3.136 -1.209 406 HA CYS 57 HA CYS 57 7.932 2.232 -0.414 407 1HB CYS 57 1HB CYS 57 9.449 1.213 1.156 408 2HB CYS 57 2HB CYS 57 10.274 2.757 1.438 409 H TYR 58 H TYR 58 6.624 3.851 0.250 410 HA TYR 58 HA TYR 58 7.376 6.642 -0.375 411 1HB TYR 58 1HB TYR 58 4.754 5.210 0.261 412 2HB TYR 58 2HB TYR 58 4.893 6.935 0.042 413 HD1 TYR 58 HD1 TYR 58 4.335 3.848 -1.683 414 HD2 TYR 58 HD2 TYR 58 5.882 7.845 -2.162 415 HE1 TYR 58 HE1 TYR 58 4.002 3.692 -4.137 416 HE2 TYR 58 HE2 TYR 58 5.547 7.683 -4.608 417 HH TYR 58 HH TYR 58 4.859 6.367 -6.358 418 HA PRO 59 HA PRO 59 7.633 7.679 3.992 419 1HB PRO 59 1HB PRO 59 6.243 10.067 4.188 420 2HB PRO 59 2HB PRO 59 7.891 9.916 3.516 421 1HG PRO 59 1HG PRO 59 5.268 9.971 2.003 422 2HG PRO 59 2HG PRO 59 6.750 10.916 1.665 423 1HD PRO 59 1HD PRO 59 6.216 8.671 0.289 424 2HD PRO 59 2HD PRO 59 7.883 8.978 0.842 425 H SER 60 H SER 60 6.280 7.963 5.947 426 HA SER 60 HA SER 60 4.298 6.069 6.137 427 1HB SER 60 1HB SER 60 3.822 7.570 8.313 428 2HB SER 60 2HB SER 60 5.199 6.482 8.136 429 HG SER 60 HG SER 60 5.788 8.607 8.846 430 H CYS 61 H CYS 61 2.177 6.037 6.177 431 HA CYS 61 HA CYS 61 0.692 8.373 5.101 432 1HB CYS 61 1HB CYS 61 0.679 5.745 4.303 433 2HB CYS 61 2HB CYS 61 -0.713 5.757 5.348 434 H SER 62 H SER 62 -1.695 8.268 5.826 435 HA SER 62 HA SER 62 -1.881 8.077 8.802 436 1HB SER 62 1HB SER 62 -1.374 10.403 8.119 437 2HB SER 62 2HB SER 62 -2.780 10.393 7.034 438 HG SER 62 HG SER 62 -3.198 11.324 9.098 Start of MODEL 5 1 1H THR 1 1H THR 1 -8.047 20.669 5.899 2 2H THR 1 2H THR 1 -7.384 20.857 4.399 3 3H THR 1 3H THR 1 -6.523 20.111 5.589 4 HA THR 1 HA THR 1 -7.359 22.913 5.584 5 HB THR 1 HB THR 1 -5.818 23.125 7.517 6 HG1 THR 1 HG1 THR 1 -6.031 20.325 7.823 7 1HG2 THR 1 1HG2 THR 1 -8.266 22.969 7.859 8 2HG2 THR 1 2HG2 THR 1 -8.140 21.199 7.986 9 3HG2 THR 1 3HG2 THR 1 -7.357 22.235 9.193 10 H LYS 2 H LYS 2 -4.278 21.200 6.085 11 HA LYS 2 HA LYS 2 -2.841 22.872 4.158 12 1HB LYS 2 1HB LYS 2 -2.105 20.466 5.873 13 2HB LYS 2 2HB LYS 2 -0.937 21.313 4.875 14 1HG LYS 2 1HG LYS 2 -2.532 22.570 7.151 15 2HG LYS 2 2HG LYS 2 -0.878 21.992 7.260 16 1HD LYS 2 1HD LYS 2 -1.901 24.346 5.611 17 2HD LYS 2 2HD LYS 2 -0.862 24.388 7.028 18 1HE LYS 2 1HE LYS 2 -0.128 23.357 4.253 19 2HE LYS 2 2HE LYS 2 0.491 24.789 5.078 20 1HZ LYS 2 1HZ LYS 2 1.467 23.342 6.725 21 2HZ LYS 2 2HZ LYS 2 0.934 22.011 5.911 22 3HZ LYS 2 3HZ LYS 2 2.040 23.013 5.215 23 H SER 3 H SER 3 -1.157 21.174 2.876 24 HA SER 3 HA SER 3 -2.524 20.468 0.593 25 1HB SER 3 1HB SER 3 0.105 19.281 1.572 26 2HB SER 3 2HB SER 3 -0.440 19.438 -0.112 27 HG SER 3 HG SER 3 0.947 21.137 0.449 28 H THR 4 H THR 4 -2.854 18.430 -0.463 29 HA THR 4 HA THR 4 -4.429 16.684 1.104 30 HB THR 4 HB THR 4 -4.785 17.261 -1.293 31 HG1 THR 4 HG1 THR 4 -5.801 15.469 -0.408 32 1HG2 THR 4 1HG2 THR 4 -2.566 15.240 -1.872 33 2HG2 THR 4 2HG2 THR 4 -3.587 16.077 -3.050 34 3HG2 THR 4 3HG2 THR 4 -2.415 16.997 -2.091 35 H THR 5 H THR 5 -4.254 14.305 1.091 36 HA THR 5 HA THR 5 -1.641 13.367 2.037 37 HB THR 5 HB THR 5 -3.432 12.654 3.349 38 HG1 THR 5 HG1 THR 5 -2.658 10.539 1.636 39 1HG2 THR 5 1HG2 THR 5 -5.386 12.895 1.885 40 2HG2 THR 5 2HG2 THR 5 -4.856 11.511 0.906 41 3HG2 THR 5 3HG2 THR 5 -5.312 11.282 2.601 42 H THR 6 H THR 6 -0.461 13.684 0.133 43 HA THR 6 HA THR 6 -0.894 12.408 -2.381 44 HB THR 6 HB THR 6 1.541 12.745 -2.634 45 HG1 THR 6 HG1 THR 6 2.127 12.339 -0.456 46 1HG2 THR 6 1HG2 THR 6 1.567 15.170 -2.474 47 2HG2 THR 6 2HG2 THR 6 -0.018 14.629 -3.061 48 3HG2 THR 6 3HG2 THR 6 0.177 15.164 -1.377 49 H ALA 7 H ALA 7 0.734 10.718 -3.173 50 HA ALA 7 HA ALA 7 0.158 8.201 -2.176 51 1HB ALA 7 1HB ALA 7 2.607 9.109 -3.720 52 2HB ALA 7 2HB ALA 7 2.110 7.421 -3.492 53 3HB ALA 7 3HB ALA 7 1.064 8.538 -4.390 54 H CYS 8 H CYS 8 0.437 7.480 -0.199 55 HA CYS 8 HA CYS 8 3.097 7.724 1.155 56 1HB CYS 8 1HB CYS 8 2.029 8.045 3.242 57 2HB CYS 8 2HB CYS 8 1.424 9.283 2.201 58 H CYS 9 H CYS 9 2.830 6.221 3.169 59 HA CYS 9 HA CYS 9 1.258 3.873 3.097 60 1HB CYS 9 1HB CYS 9 2.745 3.284 1.185 61 2HB CYS 9 2HB CYS 9 4.158 3.509 2.210 62 H ASP 10 H ASP 10 1.814 2.510 5.030 63 HA ASP 10 HA ASP 10 3.339 4.055 7.078 64 1HB ASP 10 1HB ASP 10 1.122 1.975 7.216 65 2HB ASP 10 2HB ASP 10 1.992 2.607 8.612 66 HD2 ASP 10 HD2 ASP 10 0.370 5.720 8.563 67 H PHE 11 H PHE 11 2.568 0.628 6.220 68 HA PHE 11 HA PHE 11 5.305 -0.189 7.078 69 1HB PHE 11 1HB PHE 11 2.768 -1.817 6.956 70 2HB PHE 11 2HB PHE 11 4.301 -2.278 7.688 71 HD1 PHE 11 HD1 PHE 11 1.209 -1.880 8.737 72 HD2 PHE 11 HD2 PHE 11 4.989 0.124 9.330 73 HE1 PHE 11 HE1 PHE 11 0.363 -0.888 10.839 74 HE2 PHE 11 HE2 PHE 11 4.132 1.111 11.422 75 HZ PHE 11 HZ PHE 11 1.811 0.631 12.174 76 H CYS 12 H CYS 12 6.565 -0.587 5.406 77 HA CYS 12 HA CYS 12 5.474 -1.758 2.912 78 1HB CYS 12 1HB CYS 12 6.998 -0.301 1.685 79 2HB CYS 12 2HB CYS 12 5.657 0.508 2.475 80 HA PRO 13 HA PRO 13 9.135 -4.291 4.115 81 1HB PRO 13 1HB PRO 13 8.029 -6.761 3.743 82 2HB PRO 13 2HB PRO 13 7.831 -5.828 5.254 83 1HG PRO 13 1HG PRO 13 5.909 -5.974 2.915 84 2HG PRO 13 2HG PRO 13 5.543 -6.221 4.651 85 1HD PRO 13 1HD PRO 13 5.121 -3.843 3.432 86 2HD PRO 13 2HD PRO 13 5.757 -3.895 5.103 87 H CYS 14 H CYS 14 10.348 -5.711 2.687 88 HA CYS 14 HA CYS 14 9.562 -5.685 -0.157 89 1HB CYS 14 1HB CYS 14 12.326 -5.015 0.910 90 2HB CYS 14 2HB CYS 14 11.817 -5.004 -0.772 91 H THR 15 H THR 15 10.697 -7.238 -1.412 92 HA THR 15 HA THR 15 10.927 -9.795 -0.010 93 HB THR 15 HB THR 15 10.987 -10.678 -2.331 94 HG1 THR 15 HG1 THR 15 10.822 -7.934 -3.017 95 1HG2 THR 15 1HG2 THR 15 8.777 -10.232 -1.271 96 2HG2 THR 15 2HG2 THR 15 8.778 -8.600 -1.979 97 3HG2 THR 15 3HG2 THR 15 8.747 -10.026 -3.032 98 H ARG 16 H ARG 16 12.664 -11.292 -0.667 99 HA ARG 16 HA ARG 16 15.338 -9.968 -0.788 100 1HB ARG 16 1HB ARG 16 16.153 -11.967 0.337 101 2HB ARG 16 2HB ARG 16 14.949 -11.083 1.289 102 1HG ARG 16 1HG ARG 16 13.220 -12.725 0.696 103 2HG ARG 16 2HG ARG 16 14.365 -13.596 -0.344 104 1HD ARG 16 1HD ARG 16 15.763 -14.153 1.560 105 2HD ARG 16 2HD ARG 16 14.803 -13.147 2.646 106 HE ARG 16 HE ARG 16 14.226 -15.841 1.709 107 1HH1 ARG 16 1HH1 ARG 16 12.712 -12.878 2.960 108 2HH1 ARG 16 2HH1 ARG 16 11.337 -13.715 3.629 109 1HH2 ARG 16 1HH2 ARG 16 12.410 -16.921 2.590 110 2HH2 ARG 16 2HH2 ARG 16 11.161 -16.020 3.409 111 H SER 17 H SER 17 13.256 -11.322 -2.871 112 HA SER 17 HA SER 17 14.931 -13.199 -4.303 113 1HB SER 17 1HB SER 17 13.056 -12.727 -6.049 114 2HB SER 17 2HB SER 17 12.634 -13.531 -4.542 115 HG SER 17 HG SER 17 11.234 -11.771 -5.129 116 H ILE 18 H ILE 18 15.129 -12.678 -6.733 117 HA ILE 18 HA ILE 18 16.473 -10.052 -7.067 118 HB ILE 18 HB ILE 18 18.041 -11.835 -6.628 119 1HG1 ILE 18 1HG1 ILE 18 19.444 -11.601 -8.746 120 2HG1 ILE 18 2HG1 ILE 18 18.117 -10.657 -9.437 121 1HG2 ILE 18 1HG2 ILE 18 17.265 -13.186 -9.229 122 2HG2 ILE 18 2HG2 ILE 18 18.467 -13.686 -8.040 123 3HG2 ILE 18 3HG2 ILE 18 16.752 -13.753 -7.623 124 1HD1 ILE 18 1HD1 ILE 18 19.918 -9.259 -8.440 125 2HD1 ILE 18 2HD1 ILE 18 18.387 -8.989 -7.598 126 3HD1 ILE 18 3HD1 ILE 18 19.638 -10.010 -6.859 127 HA PRO 19 HA PRO 19 16.262 -8.261 -8.242 128 1HB PRO 19 1HB PRO 19 14.461 -6.453 -9.107 129 2HB PRO 19 2HB PRO 19 15.722 -7.134 -10.176 130 1HG PRO 19 1HG PRO 19 12.840 -8.051 -9.916 131 2HG PRO 19 2HG PRO 19 13.725 -7.644 -11.416 132 1HD PRO 19 1HD PRO 19 13.499 -10.216 -10.537 133 2HD PRO 19 2HD PRO 19 15.010 -9.640 -11.296 134 HA PRO 20 HA PRO 20 13.281 -8.355 -4.815 135 1HB PRO 20 1HB PRO 20 14.147 -6.311 -3.265 136 2HB PRO 20 2HB PRO 20 15.126 -7.783 -3.520 137 1HG PRO 20 1HG PRO 20 15.374 -5.132 -4.972 138 2HG PRO 20 2HG PRO 20 16.677 -6.089 -4.214 139 1HD PRO 20 1HD PRO 20 16.095 -6.232 -6.898 140 2HD PRO 20 2HD PRO 20 16.673 -7.652 -5.973 141 H GLN 21 H GLN 21 11.240 -7.530 -4.613 142 HA GLN 21 HA GLN 21 10.558 -4.838 -5.676 143 1HB GLN 21 1HB GLN 21 8.215 -5.863 -5.331 144 2HB GLN 21 2HB GLN 21 9.117 -6.141 -6.837 145 1HG GLN 21 1HG GLN 21 9.030 -8.138 -4.554 146 2HG GLN 21 2HG GLN 21 7.794 -8.065 -5.807 147 1HE2 GLN 21 1HE2 GLN 21 10.833 -9.408 -5.052 148 2HE2 GLN 21 2HE2 GLN 21 11.318 -9.857 -6.677 149 H CYS 22 H CYS 22 9.314 -3.511 -4.400 150 HA CYS 22 HA CYS 22 8.950 -4.192 -1.520 151 1HB CYS 22 1HB CYS 22 9.366 -1.529 -2.863 152 2HB CYS 22 2HB CYS 22 8.920 -1.731 -1.172 153 H GLN 23 H GLN 23 6.985 -3.714 -0.616 154 HA GLN 23 HA GLN 23 4.775 -2.614 -2.189 155 1HB GLN 23 1HB GLN 23 3.469 -4.696 -1.775 156 2HB GLN 23 2HB GLN 23 4.746 -4.889 -2.989 157 1HG GLN 23 1HG GLN 23 6.190 -5.987 -1.298 158 2HG GLN 23 2HG GLN 23 4.928 -5.779 -0.070 159 1HE2 GLN 23 1HE2 GLN 23 6.050 -8.281 -0.735 160 2HE2 GLN 23 2HE2 GLN 23 4.809 -9.263 -1.486 161 H CYS 24 H CYS 24 2.734 -2.706 -0.741 162 HA CYS 24 HA CYS 24 3.559 -2.086 2.059 163 1HB CYS 24 1HB CYS 24 1.243 -1.095 0.441 164 2HB CYS 24 2HB CYS 24 1.460 -0.796 2.158 165 H THR 25 H THR 25 2.578 -2.909 3.739 166 HA THR 25 HA THR 25 0.757 -5.236 3.328 167 HB THR 25 HB THR 25 2.962 -5.789 4.196 168 HG1 THR 25 HG1 THR 25 2.148 -6.895 6.030 169 1HG2 THR 25 1HG2 THR 25 3.636 -5.097 6.427 170 2HG2 THR 25 2HG2 THR 25 3.406 -3.664 5.420 171 3HG2 THR 25 3HG2 THR 25 2.168 -4.111 6.610 172 H ASP 26 H ASP 26 1.149 -2.081 4.895 173 HA ASP 26 HA ASP 26 -0.688 -2.385 6.976 174 1HB ASP 26 1HB ASP 26 0.768 -0.450 6.825 175 2HB ASP 26 2HB ASP 26 -0.078 0.103 5.361 176 HD2 ASP 26 HD2 ASP 26 -2.053 0.328 8.920 177 H VAL 27 H VAL 27 -2.741 -1.910 7.237 178 HA VAL 27 HA VAL 27 -4.527 -2.215 4.859 179 HB VAL 27 HB VAL 27 -5.072 -3.206 7.680 180 1HG1 VAL 27 1HG1 VAL 27 -6.232 -4.025 4.980 181 2HG1 VAL 27 2HG1 VAL 27 -6.762 -4.582 6.579 182 3HG1 VAL 27 3HG1 VAL 27 -7.000 -2.893 6.103 183 1HG2 VAL 27 1HG2 VAL 27 -3.838 -4.740 5.353 184 2HG2 VAL 27 2HG2 VAL 27 -3.095 -4.441 6.941 185 3HG2 VAL 27 3HG2 VAL 27 -4.512 -5.485 6.814 186 H ARG 28 H ARG 28 -6.199 -0.760 4.671 187 HA ARG 28 HA ARG 28 -7.082 0.980 6.807 188 1HB ARG 28 1HB ARG 28 -4.697 1.802 5.802 189 2HB ARG 28 2HB ARG 28 -5.718 2.434 4.533 190 1HG ARG 28 1HG ARG 28 -5.508 4.219 6.055 191 2HG ARG 28 2HG ARG 28 -7.087 3.552 6.479 192 1HD ARG 28 1HD ARG 28 -5.905 4.009 8.497 193 2HD ARG 28 2HD ARG 28 -5.981 2.247 8.332 194 HE ARG 28 HE ARG 28 -3.564 3.156 7.147 195 1HH1 ARG 28 1HH1 ARG 28 -5.057 2.854 10.346 196 2HH1 ARG 28 2HH1 ARG 28 -3.534 2.864 11.200 197 1HH2 ARG 28 1HH2 ARG 28 -1.584 3.186 8.264 198 2HH2 ARG 28 2HH2 ARG 28 -1.538 3.082 10.010 199 H GLU 29 H GLU 29 -7.855 3.049 4.775 200 HA GLU 29 HA GLU 29 -10.181 1.689 3.646 201 1HB GLU 29 1HB GLU 29 -9.934 4.111 4.738 202 2HB GLU 29 2HB GLU 29 -9.450 4.570 3.105 203 1HG GLU 29 1HG GLU 29 -11.658 3.261 2.411 204 2HG GLU 29 2HG GLU 29 -12.061 3.377 4.121 205 HE2 GLU 29 HE2 GLU 29 -12.431 6.920 4.025 206 H LYS 30 H LYS 30 -10.111 3.584 1.257 207 HA LYS 30 HA LYS 30 -9.098 1.735 -0.610 208 1HB LYS 30 1HB LYS 30 -9.601 4.689 -1.031 209 2HB LYS 30 2HB LYS 30 -9.560 3.434 -2.266 210 1HG LYS 30 1HG LYS 30 -11.512 2.305 -1.156 211 2HG LYS 30 2HG LYS 30 -11.679 3.703 -0.085 212 1HD LYS 30 1HD LYS 30 -11.839 3.774 -3.129 213 2HD LYS 30 2HD LYS 30 -13.214 3.783 -2.013 214 1HE LYS 30 1HE LYS 30 -12.355 5.923 -1.013 215 2HE LYS 30 2HE LYS 30 -11.076 5.950 -2.245 216 1HZ LYS 30 1HZ LYS 30 -12.760 6.025 -3.920 217 2HZ LYS 30 2HZ LYS 30 -13.956 5.993 -2.786 218 3HZ LYS 30 3HZ LYS 30 -12.932 7.280 -2.870 219 H CYS 31 H CYS 31 -7.439 2.127 -2.233 220 HA CYS 31 HA CYS 31 -4.955 2.555 -0.848 221 1HB CYS 31 1HB CYS 31 -5.484 1.770 -3.729 222 2HB CYS 31 2HB CYS 31 -3.984 1.621 -2.831 223 H HIS 32 H HIS 32 -3.118 3.707 -1.931 224 HA HIS 32 HA HIS 32 -3.938 6.457 -2.322 225 1HB HIS 32 1HB HIS 32 -1.591 6.986 -2.216 226 2HB HIS 32 2HB HIS 32 -2.207 6.138 -0.840 227 HD1 HIS 32 HD1 HIS 32 0.346 5.853 -3.602 228 HD2 HIS 32 HD2 HIS 32 -1.180 3.617 -0.384 229 HE1 HIS 32 HE1 HIS 32 1.959 3.917 -3.208 230 HE2 HIS 32 HE2 HIS 32 1.049 2.537 -1.242 231 H SER 33 H SER 33 -2.598 7.764 -3.854 232 HA SER 33 HA SER 33 -3.559 7.405 -6.433 233 1HB SER 33 1HB SER 33 -2.886 9.551 -5.435 234 2HB SER 33 2HB SER 33 -1.188 9.055 -5.570 235 HG SER 33 HG SER 33 -1.914 10.360 -7.328 236 H ALA 34 H ALA 34 -0.616 6.149 -5.067 237 HA ALA 34 HA ALA 34 0.376 5.237 -7.742 238 1HB ALA 34 1HB ALA 34 2.573 5.105 -6.728 239 2HB ALA 34 2HB ALA 34 1.914 6.742 -6.542 240 3HB ALA 34 3HB ALA 34 1.925 5.628 -5.159 241 H CYS 35 H CYS 35 -1.767 3.920 -6.693 242 HA CYS 35 HA CYS 35 -0.510 1.255 -6.438 243 1HB CYS 35 1HB CYS 35 -3.031 2.172 -5.018 244 2HB CYS 35 2HB CYS 35 -2.569 0.479 -5.213 245 H LYS 36 H LYS 36 -1.133 -0.068 -8.050 246 HA LYS 36 HA LYS 36 -3.111 0.888 -10.035 247 1HB LYS 36 1HB LYS 36 -0.847 -1.158 -10.112 248 2HB LYS 36 2HB LYS 36 -1.957 -0.796 -11.430 249 1HG LYS 36 1HG LYS 36 -1.158 1.574 -11.453 250 2HG LYS 36 2HG LYS 36 -0.059 1.205 -10.116 251 1HD LYS 36 1HD LYS 36 1.190 1.215 -12.166 252 2HD LYS 36 2HD LYS 36 1.143 -0.438 -11.531 253 1HE LYS 36 1HE LYS 36 -0.577 -1.060 -13.178 254 2HE LYS 36 2HE LYS 36 -0.712 0.625 -13.719 255 1HZ LYS 36 1HZ LYS 36 0.620 -0.696 -15.175 256 2HZ LYS 36 2HZ LYS 36 1.537 0.488 -14.488 257 3HZ LYS 36 3HZ LYS 36 1.672 -1.070 -13.963 258 H SER 37 H SER 37 -2.092 -1.913 -8.121 259 HA SER 37 HA SER 37 -4.769 -3.194 -8.483 260 1HB SER 37 1HB SER 37 -2.771 -4.563 -9.084 261 2HB SER 37 2HB SER 37 -2.204 -4.432 -7.414 262 HG SER 37 HG SER 37 -4.259 -5.387 -6.819 263 H CYS 38 H CYS 38 -6.086 -3.180 -6.797 264 HA CYS 38 HA CYS 38 -5.153 -2.645 -4.035 265 1HB CYS 38 1HB CYS 38 -5.821 -0.498 -5.103 266 2HB CYS 38 2HB CYS 38 -7.409 -1.187 -5.468 267 H LEU 39 H LEU 39 -6.243 -3.908 -2.617 268 HA LEU 39 HA LEU 39 -8.554 -5.538 -3.550 269 1HB LEU 39 1HB LEU 39 -5.853 -6.419 -3.467 270 2HB LEU 39 2HB LEU 39 -6.560 -7.061 -2.000 271 HG LEU 39 HG LEU 39 -6.653 -8.670 -3.759 272 1HD1 LEU 39 1HD1 LEU 39 -8.592 -8.564 -2.170 273 2HD1 LEU 39 2HD1 LEU 39 -9.506 -7.670 -3.411 274 3HD1 LEU 39 3HD1 LEU 39 -8.959 -9.322 -3.730 275 1HD2 LEU 39 1HD2 LEU 39 -8.323 -6.752 -5.438 276 2HD2 LEU 39 2HD2 LEU 39 -6.604 -7.116 -5.695 277 3HD2 LEU 39 3HD2 LEU 39 -7.818 -8.397 -5.859 278 H CYS 40 H CYS 40 -9.853 -6.350 -1.887 279 HA CYS 40 HA CYS 40 -9.271 -5.438 0.869 280 1HB CYS 40 1HB CYS 40 -11.984 -5.142 -0.446 281 2HB CYS 40 2HB CYS 40 -11.462 -4.471 1.089 282 H THR 41 H THR 41 -10.607 -6.447 2.482 283 HA THR 41 HA THR 41 -11.135 -9.284 1.771 284 HB THR 41 HB THR 41 -9.763 -8.909 3.738 285 HG1 THR 41 HG1 THR 41 -11.331 -10.095 5.169 286 1HG2 THR 41 1HG2 THR 41 -10.632 -6.797 4.610 287 2HG2 THR 41 2HG2 THR 41 -12.218 -7.532 4.926 288 3HG2 THR 41 3HG2 THR 41 -10.787 -8.062 5.830 289 H ARG 42 H ARG 42 -13.098 -10.310 2.358 290 HA ARG 42 HA ARG 42 -15.510 -8.638 2.074 291 1HB ARG 42 1HB ARG 42 -15.112 -11.663 2.051 292 2HB ARG 42 2HB ARG 42 -16.603 -10.778 1.670 293 1HG ARG 42 1HG ARG 42 -15.341 -9.587 -0.152 294 2HG ARG 42 2HG ARG 42 -13.981 -10.698 0.136 295 1HD ARG 42 1HD ARG 42 -15.416 -12.631 -0.373 296 2HD ARG 42 2HD ARG 42 -16.814 -11.554 -0.600 297 HE ARG 42 HE ARG 42 -14.706 -10.705 -2.308 298 1HH1 ARG 42 1HH1 ARG 42 -17.019 -13.375 -1.974 299 2HH1 ARG 42 2HH1 ARG 42 -17.075 -13.714 -3.685 300 1HH2 ARG 42 1HH2 ARG 42 -14.784 -11.155 -4.552 301 2HH2 ARG 42 2HH2 ARG 42 -15.793 -12.442 -5.160 302 H SER 43 H SER 43 -13.630 -9.360 4.637 303 HA SER 43 HA SER 43 -15.412 -10.417 6.552 304 1HB SER 43 1HB SER 43 -13.112 -8.474 6.994 305 2HB SER 43 2HB SER 43 -13.777 -9.633 8.148 306 HG SER 43 HG SER 43 -13.117 -11.304 6.697 307 H PHE 44 H PHE 44 -15.856 -8.927 8.599 308 HA PHE 44 HA PHE 44 -17.048 -6.330 7.745 309 1HB PHE 44 1HB PHE 44 -18.770 -8.026 8.119 310 2HB PHE 44 2HB PHE 44 -18.185 -8.269 9.763 311 HD1 PHE 44 HD1 PHE 44 -18.705 -6.641 11.522 312 HD2 PHE 44 HD2 PHE 44 -19.801 -5.865 7.423 313 HE1 PHE 44 HE1 PHE 44 -20.107 -4.732 12.254 314 HE2 PHE 44 HE2 PHE 44 -21.203 -3.958 8.163 315 HZ PHE 44 HZ PHE 44 -21.354 -3.385 10.577 316 HA PRO 45 HA PRO 45 -16.695 -4.227 8.209 317 1HB PRO 45 1HB PRO 45 -14.686 -2.389 8.258 318 2HB PRO 45 2HB PRO 45 -15.960 -2.490 9.509 319 1HG PRO 45 1HG PRO 45 -13.184 -3.715 9.619 320 2HG PRO 45 2HG PRO 45 -13.967 -2.668 10.844 321 1HD PRO 45 1HD PRO 45 -14.018 -5.375 11.061 322 2HD PRO 45 2HD PRO 45 -15.462 -4.410 11.486 323 HA PRO 46 HA PRO 46 -14.026 -5.868 4.892 324 1HB PRO 46 1HB PRO 46 -14.982 -4.503 2.746 325 2HB PRO 46 2HB PRO 46 -15.934 -5.759 3.585 326 1HG PRO 46 1HG PRO 46 -16.129 -2.756 3.939 327 2HG PRO 46 2HG PRO 46 -17.454 -3.929 3.720 328 1HD PRO 46 1HD PRO 46 -16.662 -3.010 6.189 329 2HD PRO 46 2HD PRO 46 -17.299 -4.664 5.940 330 H GLN 47 H GLN 47 -11.937 -5.213 5.238 331 HA GLN 47 HA GLN 47 -11.253 -2.328 5.015 332 1HB GLN 47 1HB GLN 47 -10.894 -3.980 7.137 333 2HB GLN 47 2HB GLN 47 -9.408 -4.333 6.259 334 1HG GLN 47 1HG GLN 47 -8.982 -2.539 7.832 335 2HG GLN 47 2HG GLN 47 -8.928 -1.858 6.202 336 1HE2 GLN 47 1HE2 GLN 47 -11.427 -2.519 8.745 337 2HE2 GLN 47 2HE2 GLN 47 -12.195 -0.950 8.613 338 H CYS 48 H CYS 48 -9.372 -1.691 3.852 339 HA CYS 48 HA CYS 48 -8.843 -3.493 1.551 340 1HB CYS 48 1HB CYS 48 -9.265 -0.533 1.859 341 2HB CYS 48 2HB CYS 48 -8.634 -1.247 0.374 342 H ARG 49 H ARG 49 -6.884 -3.145 0.350 343 HA ARG 49 HA ARG 49 -4.542 -2.019 1.737 344 1HB ARG 49 1HB ARG 49 -5.038 -4.339 2.648 345 2HB ARG 49 2HB ARG 49 -4.695 -4.944 1.023 346 1HG ARG 49 1HG ARG 49 -2.406 -3.464 1.528 347 2HG ARG 49 2HG ARG 49 -2.924 -3.829 3.175 348 1HD ARG 49 1HD ARG 49 -1.396 -5.497 2.479 349 2HD ARG 49 2HD ARG 49 -2.987 -6.254 2.566 350 HE ARG 49 HE ARG 49 -1.459 -5.400 0.116 351 1HH1 ARG 49 1HH1 ARG 49 -4.230 -7.266 1.378 352 2HH1 ARG 49 2HH1 ARG 49 -4.456 -8.128 -0.119 353 1HH2 ARG 49 1HH2 ARG 49 -1.766 -6.566 -1.773 354 2HH2 ARG 49 2HH2 ARG 49 -3.057 -7.730 -1.918 355 H CYS 50 H CYS 50 -2.803 -1.853 0.375 356 HA CYS 50 HA CYS 50 -3.332 -1.774 -2.535 357 1HB CYS 50 1HB CYS 50 -2.284 0.131 -1.423 358 2HB CYS 50 2HB CYS 50 -0.976 -0.897 -0.844 359 H TYR 51 H TYR 51 -2.493 -3.095 -4.028 360 HA TYR 51 HA TYR 51 -0.739 -5.332 -3.148 361 1HB TYR 51 1HB TYR 51 -3.290 -5.706 -3.656 362 2HB TYR 51 2HB TYR 51 -2.843 -5.465 -5.323 363 HD1 TYR 51 HD1 TYR 51 -4.228 -7.753 -4.989 364 HD2 TYR 51 HD2 TYR 51 -0.047 -7.231 -4.013 365 HE1 TYR 51 HE1 TYR 51 -3.888 -10.205 -5.056 366 HE2 TYR 51 HE2 TYR 51 0.277 -9.652 -4.114 367 HH TYR 51 HH TYR 51 -0.695 -11.712 -4.456 368 H ASP 52 H ASP 52 -0.301 -2.586 -4.544 369 HA ASP 52 HA ASP 52 0.609 -3.266 -7.212 370 1HB ASP 52 1HB ASP 52 -0.326 -1.064 -6.559 371 2HB ASP 52 2HB ASP 52 1.063 -0.790 -5.496 372 HD2 ASP 52 HD2 ASP 52 2.793 0.683 -8.082 373 H ILE 53 H ILE 53 2.773 -3.286 -7.908 374 HA ILE 53 HA ILE 53 4.810 -3.967 -5.832 375 HB ILE 53 HB ILE 53 4.606 -4.778 -8.761 376 1HG1 ILE 53 1HG1 ILE 53 2.909 -5.963 -7.494 377 2HG1 ILE 53 2HG1 ILE 53 4.219 -7.052 -7.934 378 1HG2 ILE 53 1HG2 ILE 53 6.938 -4.633 -8.149 379 2HG2 ILE 53 2HG2 ILE 53 6.608 -5.405 -6.595 380 3HG2 ILE 53 3HG2 ILE 53 6.506 -6.349 -8.094 381 1HD1 ILE 53 1HD1 ILE 53 5.133 -6.851 -5.596 382 2HD1 ILE 53 2HD1 ILE 53 3.726 -5.846 -5.175 383 3HD1 ILE 53 3HD1 ILE 53 3.500 -7.525 -5.674 384 H THR 54 H THR 54 6.603 -2.775 -5.702 385 HA THR 54 HA THR 54 7.442 -0.993 -7.914 386 HB THR 54 HB THR 54 7.834 0.840 -6.286 387 HG1 THR 54 HG1 THR 54 6.511 -0.928 -4.514 388 1HG2 THR 54 1HG2 THR 54 5.716 0.810 -7.600 389 2HG2 THR 54 2HG2 THR 54 4.908 -0.003 -6.239 390 3HG2 THR 54 3HG2 THR 54 5.565 1.628 -6.033 391 H ASP 55 H ASP 55 9.654 0.078 -6.792 392 HA ASP 55 HA ASP 55 11.246 -2.156 -5.589 393 1HB ASP 55 1HB ASP 55 11.932 0.027 -7.595 394 2HB ASP 55 2HB ASP 55 13.140 -0.875 -6.688 395 HD2 ASP 55 HD2 ASP 55 12.868 -3.775 -8.581 396 H PHE 56 H PHE 56 9.632 0.547 -4.725 397 HA PHE 56 HA PHE 56 11.624 1.463 -2.722 398 1HB PHE 56 1HB PHE 56 10.898 3.821 -3.392 399 2HB PHE 56 2HB PHE 56 11.929 2.969 -4.507 400 HD1 PHE 56 HD1 PHE 56 11.240 2.596 -6.776 401 HD2 PHE 56 HD2 PHE 56 8.352 3.912 -3.852 402 HE1 PHE 56 HE1 PHE 56 9.580 2.974 -8.578 403 HE2 PHE 56 HE2 PHE 56 6.688 4.243 -5.655 404 HZ PHE 56 HZ PHE 56 7.305 3.812 -8.021 405 H CYS 57 H CYS 57 10.415 3.292 -1.451 406 HA CYS 57 HA CYS 57 7.575 2.659 -0.941 407 1HB CYS 57 1HB CYS 57 8.760 1.273 0.634 408 2HB CYS 57 2HB CYS 57 9.765 2.634 1.158 409 H TYR 58 H TYR 58 6.441 4.368 -0.179 410 HA TYR 58 HA TYR 58 7.520 7.044 -0.628 411 1HB TYR 58 1HB TYR 58 4.799 5.887 0.123 412 2HB TYR 58 2HB TYR 58 5.095 7.605 -0.020 413 HD1 TYR 58 HD1 TYR 58 5.744 8.640 -2.203 414 HD2 TYR 58 HD2 TYR 58 4.533 4.514 -1.881 415 HE1 TYR 58 HE1 TYR 58 5.542 8.511 -4.663 416 HE2 TYR 58 HE2 TYR 58 4.326 4.388 -4.351 417 HH TYR 58 HH TYR 58 5.136 7.158 -6.476 418 HA PRO 59 HA PRO 59 8.377 7.970 3.621 419 1HB PRO 59 1HB PRO 59 7.385 10.532 3.981 420 2HB PRO 59 2HB PRO 59 8.878 10.144 3.078 421 1HG PRO 59 1HG PRO 59 6.101 10.574 1.949 422 2HG PRO 59 2HG PRO 59 7.635 11.316 1.399 423 1HD PRO 59 1HD PRO 59 6.634 9.174 0.136 424 2HD PRO 59 2HD PRO 59 8.385 9.242 0.467 425 H SER 60 H SER 60 7.380 8.164 5.751 426 HA SER 60 HA SER 60 5.261 6.447 5.885 427 1HB SER 60 1HB SER 60 5.280 7.515 8.389 428 2HB SER 60 2HB SER 60 6.348 6.249 7.776 429 HG SER 60 HG SER 60 7.469 8.009 8.777 430 H CYS 61 H CYS 61 3.139 6.544 6.249 431 HA CYS 61 HA CYS 61 1.766 9.112 5.832 432 1HB CYS 61 1HB CYS 61 1.198 6.656 4.895 433 2HB CYS 61 2HB CYS 61 0.170 6.635 6.308 434 H SER 62 H SER 62 -0.468 9.053 7.253 435 HA SER 62 HA SER 62 0.164 9.231 10.098 436 1HB SER 62 1HB SER 62 -2.310 9.651 10.237 437 2HB SER 62 2HB SER 62 -1.456 10.771 9.160 438 HG SER 62 HG SER 62 -2.721 8.405 8.257 Start of MODEL 6 1 1H THR 1 1H THR 1 -2.898 17.952 13.248 2 2H THR 1 2H THR 1 -4.408 17.925 12.577 3 3H THR 1 3H THR 1 -3.744 16.538 13.186 4 HA THR 1 HA THR 1 -2.673 18.012 10.904 5 HB THR 1 HB THR 1 -1.334 15.947 10.582 6 HG1 THR 1 HG1 THR 1 -2.650 14.567 11.857 7 1HG2 THR 1 1HG2 THR 1 -0.865 17.256 13.302 8 2HG2 THR 1 2HG2 THR 1 0.328 16.419 12.294 9 3HG2 THR 1 3HG2 THR 1 -0.376 17.949 11.737 10 H LYS 2 H LYS 2 -3.908 17.826 9.111 11 HA LYS 2 HA LYS 2 -5.210 15.246 8.492 12 1HB LYS 2 1HB LYS 2 -6.615 17.959 8.420 13 2HB LYS 2 2HB LYS 2 -7.202 16.478 7.643 14 1HG LYS 2 1HG LYS 2 -7.214 15.343 9.868 15 2HG LYS 2 2HG LYS 2 -6.804 16.891 10.635 16 1HD LYS 2 1HD LYS 2 -8.827 17.932 9.817 17 2HD LYS 2 2HD LYS 2 -9.254 16.512 8.851 18 1HE LYS 2 1HE LYS 2 -8.976 16.458 11.890 19 2HE LYS 2 2HE LYS 2 -10.506 16.745 11.043 20 1HZ LYS 2 1HZ LYS 2 -10.246 14.459 11.640 21 2HZ LYS 2 2HZ LYS 2 -10.296 14.626 10.003 22 3HZ LYS 2 3HZ LYS 2 -8.862 14.331 10.757 23 H SER 3 H SER 3 -5.275 14.809 6.312 24 HA SER 3 HA SER 3 -4.531 16.719 4.263 25 1HB SER 3 1HB SER 3 -2.593 14.523 5.140 26 2HB SER 3 2HB SER 3 -2.520 15.304 3.551 27 HG SER 3 HG SER 3 -2.472 16.793 5.949 28 H THR 4 H THR 4 -4.569 15.645 2.118 29 HA THR 4 HA THR 4 -6.695 13.694 1.895 30 HB THR 4 HB THR 4 -6.184 13.898 -0.545 31 HG1 THR 4 HG1 THR 4 -3.947 14.249 -0.358 32 1HG2 THR 4 1HG2 THR 4 -6.332 16.587 0.891 33 2HG2 THR 4 2HG2 THR 4 -6.784 16.254 -0.791 34 3HG2 THR 4 3HG2 THR 4 -7.711 15.522 0.533 35 H THR 5 H THR 5 -6.360 11.771 0.420 36 HA THR 5 HA THR 5 -4.343 10.035 1.583 37 HB THR 5 HB THR 5 -6.555 9.225 1.353 38 HG1 THR 5 HG1 THR 5 -6.066 7.300 0.270 39 1HG2 THR 5 1HG2 THR 5 -6.353 9.490 -1.681 40 2HG2 THR 5 2HG2 THR 5 -7.638 8.697 -0.763 41 3HG2 THR 5 3HG2 THR 5 -7.412 10.440 -0.617 42 H THR 6 H THR 6 -2.611 11.505 0.738 43 HA THR 6 HA THR 6 -1.782 11.404 -2.006 44 HB THR 6 HB THR 6 0.372 12.151 -1.097 45 HG1 THR 6 HG1 THR 6 -0.858 11.881 1.444 46 1HG2 THR 6 1HG2 THR 6 -1.454 13.792 -1.488 47 2HG2 THR 6 2HG2 THR 6 -1.943 13.631 0.215 48 3HG2 THR 6 3HG2 THR 6 -0.346 14.279 -0.192 49 H ALA 7 H ALA 7 0.306 10.377 -2.667 50 HA ALA 7 HA ALA 7 0.141 7.527 -2.357 51 1HB ALA 7 1HB ALA 7 2.200 9.270 -3.721 52 2HB ALA 7 2HB ALA 7 2.094 7.496 -3.825 53 3HB ALA 7 3HB ALA 7 0.766 8.502 -4.450 54 H CYS 8 H CYS 8 0.349 7.216 -0.147 55 HA CYS 8 HA CYS 8 3.080 7.507 1.089 56 1HB CYS 8 1HB CYS 8 1.953 7.790 3.162 57 2HB CYS 8 2HB CYS 8 1.187 8.886 2.047 58 H CYS 9 H CYS 9 2.765 6.016 3.180 59 HA CYS 9 HA CYS 9 1.629 3.401 2.744 60 1HB CYS 9 1HB CYS 9 3.954 3.567 1.424 61 2HB CYS 9 2HB CYS 9 4.643 3.478 3.038 62 H ASP 10 H ASP 10 2.543 1.967 4.767 63 HA ASP 10 HA ASP 10 3.768 3.631 6.859 64 1HB ASP 10 1HB ASP 10 1.264 1.923 7.156 65 2HB ASP 10 2HB ASP 10 2.282 2.453 8.485 66 HD2 ASP 10 HD2 ASP 10 1.300 5.874 8.157 67 H PHE 11 H PHE 11 2.571 0.312 6.012 68 HA PHE 11 HA PHE 11 5.056 -0.895 7.108 69 1HB PHE 11 1HB PHE 11 2.570 -2.158 5.942 70 2HB PHE 11 2HB PHE 11 3.904 -2.992 6.727 71 HD1 PHE 11 HD1 PHE 11 1.211 -3.611 7.498 72 HD2 PHE 11 HD2 PHE 11 3.830 -0.513 8.988 73 HE1 PHE 11 HE1 PHE 11 -0.099 -3.500 9.593 74 HE2 PHE 11 HE2 PHE 11 2.516 -0.404 11.061 75 HZ PHE 11 HZ PHE 11 0.534 -1.874 11.374 76 H CYS 12 H CYS 12 6.683 -0.915 5.731 77 HA CYS 12 HA CYS 12 6.271 -1.340 2.798 78 1HB CYS 12 1HB CYS 12 8.437 0.092 4.368 79 2HB CYS 12 2HB CYS 12 8.574 -0.316 2.655 80 HA PRO 13 HA PRO 13 8.842 -4.971 4.181 81 1HB PRO 13 1HB PRO 13 7.255 -7.086 3.682 82 2HB PRO 13 2HB PRO 13 7.059 -6.122 5.178 83 1HG PRO 13 1HG PRO 13 5.499 -5.847 2.590 84 2HG PRO 13 2HG PRO 13 4.869 -6.031 4.257 85 1HD PRO 13 1HD PRO 13 5.175 -3.572 3.034 86 2HD PRO 13 2HD PRO 13 5.405 -3.806 4.798 87 H CYS 14 H CYS 14 9.660 -6.635 2.676 88 HA CYS 14 HA CYS 14 8.937 -6.455 -0.123 89 1HB CYS 14 1HB CYS 14 10.374 -4.455 0.335 90 2HB CYS 14 2HB CYS 14 11.693 -5.523 0.835 91 H THR 15 H THR 15 10.299 -7.893 -1.429 92 HA THR 15 HA THR 15 10.934 -10.402 -0.048 93 HB THR 15 HB THR 15 11.582 -11.193 -2.268 94 HG1 THR 15 HG1 THR 15 11.713 -9.863 -3.966 95 1HG2 THR 15 1HG2 THR 15 9.480 -10.843 -3.522 96 2HG2 THR 15 2HG2 THR 15 9.217 -11.322 -1.838 97 3HG2 THR 15 3HG2 THR 15 8.977 -9.632 -2.324 98 H ARG 16 H ARG 16 13.127 -11.433 -0.710 99 HA ARG 16 HA ARG 16 15.392 -9.511 -0.360 100 1HB ARG 16 1HB ARG 16 16.660 -11.397 0.411 101 2HB ARG 16 2HB ARG 16 15.218 -11.163 1.416 102 1HG ARG 16 1HG ARG 16 14.082 -13.025 0.307 103 2HG ARG 16 2HG ARG 16 15.433 -13.250 -0.818 104 1HD ARG 16 1HD ARG 16 15.617 -13.539 2.206 105 2HD ARG 16 2HD ARG 16 15.425 -14.880 1.058 106 HE ARG 16 HE ARG 16 17.667 -13.361 0.248 107 1HH1 ARG 16 1HH1 ARG 16 16.703 -15.494 2.916 108 2HH1 ARG 16 2HH1 ARG 16 18.333 -16.020 3.253 109 1HH2 ARG 16 1HH2 ARG 16 19.809 -14.038 0.724 110 2HH2 ARG 16 2HH2 ARG 16 20.102 -15.186 2.003 111 H SER 17 H SER 17 13.726 -10.869 -2.798 112 HA SER 17 HA SER 17 15.794 -12.274 -4.238 113 1HB SER 17 1HB SER 17 13.967 -12.445 -5.947 114 2HB SER 17 2HB SER 17 13.525 -13.029 -4.354 115 HG SER 17 HG SER 17 11.948 -11.654 -5.365 116 H ILE 18 H ILE 18 15.740 -11.741 -6.665 117 HA ILE 18 HA ILE 18 16.524 -8.926 -7.128 118 HB ILE 18 HB ILE 18 18.429 -10.261 -6.524 119 1HG1 ILE 18 1HG1 ILE 18 19.847 -9.962 -8.594 120 2HG1 ILE 18 2HG1 ILE 18 18.389 -9.493 -9.477 121 1HG2 ILE 18 1HG2 ILE 18 18.144 -12.029 -8.959 122 2HG2 ILE 18 2HG2 ILE 18 19.277 -12.140 -7.612 123 3HG2 ILE 18 3HG2 ILE 18 17.574 -12.518 -7.346 124 1HD1 ILE 18 1HD1 ILE 18 19.488 -8.111 -6.978 125 2HD1 ILE 18 2HD1 ILE 18 19.735 -7.562 -8.648 126 3HD1 ILE 18 3HD1 ILE 18 18.109 -7.550 -7.952 127 HA PRO 19 HA PRO 19 15.715 -7.364 -8.377 128 1HB PRO 19 1HB PRO 19 13.356 -6.278 -9.210 129 2HB PRO 19 2HB PRO 19 14.783 -6.494 -10.264 130 1HG PRO 19 1HG PRO 19 12.385 -8.336 -10.006 131 2HG PRO 19 2HG PRO 19 13.105 -7.678 -11.506 132 1HD PRO 19 1HD PRO 19 13.740 -10.159 -10.591 133 2HD PRO 19 2HD PRO 19 14.996 -9.109 -11.309 134 HA PRO 20 HA PRO 20 13.210 -7.944 -4.702 135 1HB PRO 20 1HB PRO 20 13.279 -5.480 -3.573 136 2HB PRO 20 2HB PRO 20 14.762 -6.446 -3.806 137 1HG PRO 20 1HG PRO 20 13.687 -4.250 -5.609 138 2HG PRO 20 2HG PRO 20 15.330 -4.394 -4.927 139 1HD PRO 20 1HD PRO 20 14.734 -5.298 -7.435 140 2HD PRO 20 2HD PRO 20 15.883 -6.169 -6.377 141 H GLN 21 H GLN 21 11.009 -7.999 -4.284 142 HA GLN 21 HA GLN 21 9.175 -6.182 -5.767 143 1HB GLN 21 1HB GLN 21 8.504 -8.797 -4.369 144 2HB GLN 21 2HB GLN 21 7.541 -7.851 -5.497 145 1HG GLN 21 1HG GLN 21 10.000 -9.531 -6.081 146 2HG GLN 21 2HG GLN 21 8.335 -9.834 -6.586 147 1HE2 GLN 21 1HE2 GLN 21 11.299 -8.310 -7.380 148 2HE2 GLN 21 2HE2 GLN 21 10.750 -7.417 -8.789 149 H CYS 22 H CYS 22 8.987 -4.436 -4.424 150 HA CYS 22 HA CYS 22 8.521 -4.868 -1.514 151 1HB CYS 22 1HB CYS 22 9.340 -2.301 -2.877 152 2HB CYS 22 2HB CYS 22 9.238 -2.642 -1.160 153 H GLN 23 H GLN 23 6.776 -3.963 -0.540 154 HA GLN 23 HA GLN 23 4.637 -2.820 -2.303 155 1HB GLN 23 1HB GLN 23 4.375 -5.248 -0.467 156 2HB GLN 23 2HB GLN 23 3.043 -4.451 -1.322 157 1HG GLN 23 1HG GLN 23 4.250 -4.924 -3.484 158 2HG GLN 23 2HG GLN 23 5.346 -5.983 -2.583 159 1HE2 GLN 23 1HE2 GLN 23 4.389 -7.863 -1.437 160 2HE2 GLN 23 2HE2 GLN 23 2.887 -8.541 -2.029 161 H CYS 24 H CYS 24 2.651 -2.382 -0.923 162 HA CYS 24 HA CYS 24 3.340 -1.349 1.780 163 1HB CYS 24 1HB CYS 24 1.205 -0.494 -0.206 164 2HB CYS 24 2HB CYS 24 1.114 -0.119 1.520 165 H THR 25 H THR 25 2.410 -2.473 3.436 166 HA THR 25 HA THR 25 0.221 -4.430 2.760 167 HB THR 25 HB THR 25 1.172 -5.856 4.538 168 HG1 THR 25 HG1 THR 25 3.212 -5.347 5.312 169 1HG2 THR 25 1HG2 THR 25 2.973 -6.742 3.188 170 2HG2 THR 25 2HG2 THR 25 1.681 -6.186 2.119 171 3HG2 THR 25 3HG2 THR 25 3.146 -5.202 2.310 172 H ASP 26 H ASP 26 0.749 -1.527 4.427 173 HA ASP 26 HA ASP 26 -0.751 -2.074 6.762 174 1HB ASP 26 1HB ASP 26 -0.998 0.420 6.733 175 2HB ASP 26 2HB ASP 26 0.628 -0.243 6.787 176 HD2 ASP 26 HD2 ASP 26 -0.525 2.141 3.758 177 H VAL 27 H VAL 27 -2.816 -1.878 7.175 178 HA VAL 27 HA VAL 27 -4.691 -1.995 4.862 179 HB VAL 27 HB VAL 27 -5.035 -3.339 7.564 180 1HG1 VAL 27 1HG1 VAL 27 -6.627 -4.736 6.312 181 2HG1 VAL 27 2HG1 VAL 27 -7.048 -3.030 6.143 182 3HG1 VAL 27 3HG1 VAL 27 -6.246 -3.871 4.807 183 1HG2 VAL 27 1HG2 VAL 27 -3.005 -4.315 6.645 184 2HG2 VAL 27 2HG2 VAL 27 -4.329 -5.443 6.370 185 3HG2 VAL 27 3HG2 VAL 27 -3.743 -4.437 5.030 186 H ARG 28 H ARG 28 -6.145 -0.407 4.766 187 HA ARG 28 HA ARG 28 -6.880 1.285 7.082 188 1HB ARG 28 1HB ARG 28 -4.748 1.807 5.096 189 2HB ARG 28 2HB ARG 28 -5.919 3.095 5.081 190 1HG ARG 28 1HG ARG 28 -4.627 2.060 7.638 191 2HG ARG 28 2HG ARG 28 -3.933 3.348 6.650 192 1HD ARG 28 1HD ARG 28 -6.719 3.465 7.881 193 2HD ARG 28 2HD ARG 28 -5.284 4.181 8.602 194 HE ARG 28 HE ARG 28 -6.793 5.094 6.250 195 1HH1 ARG 28 1HH1 ARG 28 -3.774 5.544 8.106 196 2HH1 ARG 28 2HH1 ARG 28 -3.519 7.159 7.493 197 1HH2 ARG 28 1HH2 ARG 28 -6.381 7.145 5.422 198 2HH2 ARG 28 2HH2 ARG 28 -4.974 8.047 5.938 199 H GLU 29 H GLU 29 -7.904 3.407 5.492 200 HA GLU 29 HA GLU 29 -10.219 2.265 4.179 201 1HB GLU 29 1HB GLU 29 -9.799 4.619 5.384 202 2HB GLU 29 2HB GLU 29 -9.293 5.107 3.769 203 1HG GLU 29 1HG GLU 29 -11.578 4.183 2.974 204 2HG GLU 29 2HG GLU 29 -11.963 3.907 4.673 205 HE2 GLU 29 HE2 GLU 29 -13.496 7.040 4.318 206 H LYS 30 H LYS 30 -10.025 4.187 1.835 207 HA LYS 30 HA LYS 30 -9.268 2.236 0.036 208 1HB LYS 30 1HB LYS 30 -9.344 3.977 -1.683 209 2HB LYS 30 2HB LYS 30 -10.760 3.903 -0.663 210 1HG LYS 30 1HG LYS 30 -10.104 5.905 0.546 211 2HG LYS 30 2HG LYS 30 -8.482 5.894 -0.151 212 1HD LYS 30 1HD LYS 30 -11.036 6.326 -1.757 213 2HD LYS 30 2HD LYS 30 -10.003 7.612 -1.110 214 1HE LYS 30 1HE LYS 30 -8.064 6.668 -2.423 215 2HE LYS 30 2HE LYS 30 -9.184 5.536 -3.198 216 1HZ LYS 30 1HZ LYS 30 -10.405 7.397 -4.031 217 2HZ LYS 30 2HZ LYS 30 -9.355 8.454 -3.325 218 3HZ LYS 30 3HZ LYS 30 -8.833 7.449 -4.519 219 H CYS 31 H CYS 31 -7.734 2.041 -1.479 220 HA CYS 31 HA CYS 31 -5.019 2.339 -0.646 221 1HB CYS 31 1HB CYS 31 -4.621 1.536 -3.074 222 2HB CYS 31 2HB CYS 31 -5.310 0.490 -1.855 223 H HIS 32 H HIS 32 -3.365 3.525 -1.515 224 HA HIS 32 HA HIS 32 -4.156 6.240 -1.634 225 1HB HIS 32 1HB HIS 32 -1.802 6.785 -1.605 226 2HB HIS 32 2HB HIS 32 -2.274 5.647 -0.395 227 HD1 HIS 32 HD1 HIS 32 -0.312 5.771 -3.694 228 HD2 HIS 32 HD2 HIS 32 -0.858 3.392 -0.270 229 HE1 HIS 32 HE1 HIS 32 1.540 4.011 -3.692 230 HE2 HIS 32 HE2 HIS 32 1.209 2.535 -1.629 231 H SER 33 H SER 33 -2.834 7.796 -3.006 232 HA SER 33 HA SER 33 -3.928 7.636 -5.648 233 1HB SER 33 1HB SER 33 -3.811 9.672 -4.216 234 2HB SER 33 2HB SER 33 -2.062 9.701 -4.501 235 HG SER 33 HG SER 33 -2.585 9.791 -6.764 236 H ALA 34 H ALA 34 -1.696 5.638 -5.044 237 HA ALA 34 HA ALA 34 -0.549 5.819 -7.698 238 1HB ALA 34 1HB ALA 34 1.811 5.671 -7.018 239 2HB ALA 34 2HB ALA 34 1.112 7.215 -6.508 240 3HB ALA 34 3HB ALA 34 1.355 5.914 -5.322 241 H CYS 35 H CYS 35 -2.268 4.031 -7.200 242 HA CYS 35 HA CYS 35 -0.806 1.541 -6.488 243 1HB CYS 35 1HB CYS 35 -3.669 2.267 -5.826 244 2HB CYS 35 2HB CYS 35 -2.927 0.679 -5.570 245 H LYS 36 H LYS 36 -0.840 0.004 -7.959 246 HA LYS 36 HA LYS 36 -2.427 0.347 -10.456 247 1HB LYS 36 1HB LYS 36 0.224 -0.975 -9.756 248 2HB LYS 36 2HB LYS 36 -0.663 -1.353 -11.225 249 1HG LYS 36 1HG LYS 36 1.060 0.274 -11.690 250 2HG LYS 36 2HG LYS 36 -0.539 0.962 -11.998 251 1HD LYS 36 1HD LYS 36 -0.451 2.288 -9.989 252 2HD LYS 36 2HD LYS 36 0.988 1.419 -9.401 253 1HE LYS 36 1HE LYS 36 2.290 2.367 -11.302 254 2HE LYS 36 2HE LYS 36 0.840 3.234 -11.848 255 1HZ LYS 36 1HZ LYS 36 2.267 4.617 -10.531 256 2HZ LYS 36 2HZ LYS 36 0.827 4.395 -9.762 257 3HZ LYS 36 3HZ LYS 36 2.167 3.586 -9.250 258 H SER 37 H SER 37 -1.303 -1.971 -8.006 259 HA SER 37 HA SER 37 -3.740 -3.634 -8.482 260 1HB SER 37 1HB SER 37 -1.545 -4.849 -8.714 261 2HB SER 37 2HB SER 37 -1.205 -4.459 -7.033 262 HG SER 37 HG SER 37 -3.212 -5.547 -6.533 263 H CYS 38 H CYS 38 -5.147 -3.774 -6.815 264 HA CYS 38 HA CYS 38 -4.507 -3.012 -4.071 265 1HB CYS 38 1HB CYS 38 -4.986 -0.866 -5.060 266 2HB CYS 38 2HB CYS 38 -6.411 -1.481 -5.895 267 H LEU 39 H LEU 39 -6.056 -3.857 -2.637 268 HA LEU 39 HA LEU 39 -8.485 -5.043 -3.637 269 1HB LEU 39 1HB LEU 39 -6.618 -6.779 -4.150 270 2HB LEU 39 2HB LEU 39 -6.482 -6.979 -2.406 271 HG LEU 39 HG LEU 39 -8.856 -7.732 -2.309 272 1HD1 LEU 39 1HD1 LEU 39 -8.680 -7.463 -5.347 273 2HD1 LEU 39 2HD1 LEU 39 -9.919 -8.410 -4.500 274 3HD1 LEU 39 3HD1 LEU 39 -9.850 -6.663 -4.273 275 1HD2 LEU 39 1HD2 LEU 39 -7.099 -9.248 -4.273 276 2HD2 LEU 39 2HD2 LEU 39 -6.987 -9.325 -2.501 277 3HD2 LEU 39 3HD2 LEU 39 -8.441 -9.918 -3.319 278 H CYS 40 H CYS 40 -9.848 -5.843 -1.892 279 HA CYS 40 HA CYS 40 -9.046 -4.898 0.802 280 1HB CYS 40 1HB CYS 40 -11.830 -4.630 -0.361 281 2HB CYS 40 2HB CYS 40 -11.211 -3.907 1.117 282 H THR 41 H THR 41 -10.337 -5.824 2.531 283 HA THR 41 HA THR 41 -10.324 -8.705 2.215 284 HB THR 41 HB THR 41 -10.888 -8.662 4.634 285 HG1 THR 41 HG1 THR 41 -11.436 -6.846 5.580 286 1HG2 THR 41 1HG2 THR 41 -8.628 -6.757 3.894 287 2HG2 THR 41 2HG2 THR 41 -8.800 -7.675 5.404 288 3HG2 THR 41 3HG2 THR 41 -8.530 -8.532 3.872 289 H ARG 42 H ARG 42 -12.044 -10.113 2.735 290 HA ARG 42 HA ARG 42 -14.736 -9.136 2.006 291 1HB ARG 42 1HB ARG 42 -15.304 -11.421 1.717 292 2HB ARG 42 2HB ARG 42 -13.822 -11.072 0.821 293 1HG ARG 42 1HG ARG 42 -12.492 -12.157 2.601 294 2HG ARG 42 2HG ARG 42 -13.983 -12.472 3.524 295 1HD ARG 42 1HD ARG 42 -14.862 -13.820 1.649 296 2HD ARG 42 2HD ARG 42 -13.358 -13.543 0.742 297 HE ARG 42 HE ARG 42 -12.597 -14.595 3.220 298 1HH1 ARG 42 1HH1 ARG 42 -14.546 -15.693 0.457 299 2HH1 ARG 42 2HH1 ARG 42 -14.173 -17.378 0.708 300 1HH2 ARG 42 1HH2 ARG 42 -12.106 -16.809 3.519 301 2HH2 ARG 42 2HH2 ARG 42 -12.778 -18.013 2.453 302 H SER 43 H SER 43 -13.137 -8.933 4.815 303 HA SER 43 HA SER 43 -14.890 -10.292 6.622 304 1HB SER 43 1HB SER 43 -13.641 -8.750 8.271 305 2HB SER 43 2HB SER 43 -12.706 -9.939 7.386 306 HG SER 43 HG SER 43 -11.874 -7.722 7.466 307 H PHE 44 H PHE 44 -15.738 -8.828 8.434 308 HA PHE 44 HA PHE 44 -17.197 -6.461 7.373 309 1HB PHE 44 1HB PHE 44 -18.706 -8.381 7.454 310 2HB PHE 44 2HB PHE 44 -18.391 -8.569 9.178 311 HD1 PHE 44 HD1 PHE 44 -19.912 -6.397 6.571 312 HD2 PHE 44 HD2 PHE 44 -19.383 -7.013 10.808 313 HE1 PHE 44 HE1 PHE 44 -21.628 -4.668 7.041 314 HE2 PHE 44 HE2 PHE 44 -21.083 -5.271 11.270 315 HZ PHE 44 HZ PHE 44 -22.192 -4.080 9.390 316 HA PRO 45 HA PRO 45 -17.129 -4.349 7.840 317 1HB PRO 45 1HB PRO 45 -15.347 -2.324 8.192 318 2HB PRO 45 2HB PRO 45 -16.800 -2.532 9.211 319 1HG PRO 45 1HG PRO 45 -13.983 -3.473 9.823 320 2HG PRO 45 2HG PRO 45 -15.060 -2.501 10.869 321 1HD PRO 45 1HD PRO 45 -14.887 -5.201 11.142 322 2HD PRO 45 2HD PRO 45 -16.464 -4.377 11.304 323 HA PRO 46 HA PRO 46 -13.715 -5.706 5.109 324 1HB PRO 46 1HB PRO 46 -14.292 -4.361 2.835 325 2HB PRO 46 2HB PRO 46 -15.378 -5.638 3.456 326 1HG PRO 46 1HG PRO 46 -15.643 -2.644 3.886 327 2HG PRO 46 2HG PRO 46 -16.891 -3.768 3.272 328 1HD PRO 46 1HD PRO 46 -16.739 -3.050 5.905 329 2HD PRO 46 2HD PRO 46 -17.221 -4.704 5.422 330 H GLN 47 H GLN 47 -11.711 -4.792 4.292 331 HA GLN 47 HA GLN 47 -11.158 -1.961 4.871 332 1HB GLN 47 1HB GLN 47 -10.899 -3.625 6.962 333 2HB GLN 47 2HB GLN 47 -9.416 -4.092 6.131 334 1HG GLN 47 1HG GLN 47 -8.837 -2.441 7.728 335 2HG GLN 47 2HG GLN 47 -8.747 -1.650 6.147 336 1HE2 GLN 47 1HE2 GLN 47 -10.230 0.014 5.647 337 2HE2 GLN 47 2HE2 GLN 47 -11.399 0.621 6.807 338 H CYS 48 H CYS 48 -9.431 -1.137 3.678 339 HA CYS 48 HA CYS 48 -8.739 -2.894 1.402 340 1HB CYS 48 1HB CYS 48 -9.175 0.065 1.714 341 2HB CYS 48 2HB CYS 48 -8.529 -0.660 0.248 342 H ARG 49 H ARG 49 -6.804 -2.690 0.281 343 HA ARG 49 HA ARG 49 -4.508 -1.372 1.560 344 1HB ARG 49 1HB ARG 49 -4.675 -3.400 2.793 345 2HB ARG 49 2HB ARG 49 -4.864 -4.372 1.335 346 1HG ARG 49 1HG ARG 49 -2.330 -2.767 1.819 347 2HG ARG 49 2HG ARG 49 -2.603 -4.274 2.688 348 1HD ARG 49 1HD ARG 49 -2.427 -4.024 -0.340 349 2HD ARG 49 2HD ARG 49 -1.237 -4.694 0.750 350 HE ARG 49 HE ARG 49 -2.547 -6.576 1.180 351 1HH1 ARG 49 1HH1 ARG 49 -4.148 -4.477 -1.232 352 2HH1 ARG 49 2HH1 ARG 49 -5.054 -5.786 -1.918 353 1HH2 ARG 49 1HH2 ARG 49 -3.805 -8.247 0.279 354 2HH2 ARG 49 2HH2 ARG 49 -4.922 -7.910 -1.016 355 H CYS 50 H CYS 50 -2.767 -1.239 0.234 356 HA CYS 50 HA CYS 50 -3.376 -1.280 -2.689 357 1HB CYS 50 1HB CYS 50 -2.838 0.900 -1.688 358 2HB CYS 50 2HB CYS 50 -1.374 0.250 -0.974 359 H TYR 51 H TYR 51 -2.396 -2.857 -3.880 360 HA TYR 51 HA TYR 51 -0.173 -4.400 -2.632 361 1HB TYR 51 1HB TYR 51 -2.530 -5.375 -3.177 362 2HB TYR 51 2HB TYR 51 -2.024 -5.315 -4.839 363 HD1 TYR 51 HD1 TYR 51 -0.819 -6.505 -1.465 364 HD2 TYR 51 HD2 TYR 51 -0.966 -7.268 -5.709 365 HE1 TYR 51 HE1 TYR 51 0.403 -8.629 -1.126 366 HE2 TYR 51 HE2 TYR 51 0.269 -9.385 -5.367 367 HH TYR 51 HH TYR 51 1.316 -10.497 -2.127 368 H ASP 52 H ASP 52 0.127 -1.887 -4.301 369 HA ASP 52 HA ASP 52 1.002 -2.533 -6.898 370 1HB ASP 52 1HB ASP 52 0.446 -0.283 -6.110 371 2HB ASP 52 2HB ASP 52 1.853 -0.272 -5.038 372 HD2 ASP 52 HD2 ASP 52 3.013 -0.427 -8.904 373 H ILE 53 H ILE 53 2.958 -3.111 -7.747 374 HA ILE 53 HA ILE 53 4.999 -4.248 -5.890 375 HB ILE 53 HB ILE 53 4.279 -4.810 -8.797 376 1HG1 ILE 53 1HG1 ILE 53 2.621 -5.684 -7.119 377 2HG1 ILE 53 2HG1 ILE 53 3.377 -6.886 -8.157 378 1HG2 ILE 53 1HG2 ILE 53 5.853 -6.760 -8.546 379 2HG2 ILE 53 2HG2 ILE 53 6.641 -5.179 -8.575 380 3HG2 ILE 53 3HG2 ILE 53 6.436 -6.027 -7.033 381 1HD1 ILE 53 1HD1 ILE 53 3.173 -7.626 -5.796 382 2HD1 ILE 53 2HD1 ILE 53 4.850 -7.628 -6.361 383 3HD1 ILE 53 3HD1 ILE 53 4.274 -6.321 -5.310 384 H THR 54 H THR 54 6.649 -2.835 -5.604 385 HA THR 54 HA THR 54 7.856 -1.526 -7.986 386 HB THR 54 HB THR 54 8.209 0.511 -6.496 387 HG1 THR 54 HG1 THR 54 7.604 -0.378 -4.512 388 1HG2 THR 54 1HG2 THR 54 6.555 0.520 -8.342 389 2HG2 THR 54 2HG2 THR 54 5.319 -0.128 -7.241 390 3HG2 THR 54 3HG2 THR 54 5.999 1.483 -6.958 391 H ASP 55 H ASP 55 10.070 -0.839 -7.598 392 HA ASP 55 HA ASP 55 11.585 -2.718 -5.962 393 1HB ASP 55 1HB ASP 55 12.378 -0.290 -7.628 394 2HB ASP 55 2HB ASP 55 13.507 -1.370 -6.810 395 HD2 ASP 55 HD2 ASP 55 12.733 -4.143 -8.962 396 H PHE 56 H PHE 56 10.166 0.396 -5.487 397 HA PHE 56 HA PHE 56 11.757 0.925 -3.011 398 1HB PHE 56 1HB PHE 56 11.106 3.316 -3.431 399 2HB PHE 56 2HB PHE 56 12.140 2.620 -4.642 400 HD1 PHE 56 HD1 PHE 56 8.649 3.721 -3.917 401 HD2 PHE 56 HD2 PHE 56 11.412 2.370 -6.945 402 HE1 PHE 56 HE1 PHE 56 6.984 4.237 -5.671 403 HE2 PHE 56 HE2 PHE 56 9.751 2.928 -8.699 404 HZ PHE 56 HZ PHE 56 7.525 3.837 -8.063 405 H CYS 57 H CYS 57 10.235 2.654 -1.768 406 HA CYS 57 HA CYS 57 7.414 1.876 -1.741 407 1HB CYS 57 1HB CYS 57 8.625 0.339 -0.124 408 2HB CYS 57 2HB CYS 57 9.039 1.770 0.827 409 H TYR 58 H TYR 58 6.115 3.467 -0.584 410 HA TYR 58 HA TYR 58 7.207 6.160 -0.839 411 1HB TYR 58 1HB TYR 58 4.473 4.968 -0.239 412 2HB TYR 58 2HB TYR 58 4.774 6.690 -0.275 413 HD1 TYR 58 HD1 TYR 58 5.536 7.814 -2.392 414 HD2 TYR 58 HD2 TYR 58 4.217 3.708 -2.300 415 HE1 TYR 58 HE1 TYR 58 5.254 7.852 -4.848 416 HE2 TYR 58 HE2 TYR 58 3.960 3.742 -4.768 417 HH TYR 58 HH TYR 58 4.672 6.661 -6.717 418 HA PRO 59 HA PRO 59 8.004 6.676 3.472 419 1HB PRO 59 1HB PRO 59 7.488 9.327 3.954 420 2HB PRO 59 2HB PRO 59 8.817 8.767 2.902 421 1HG PRO 59 1HG PRO 59 6.041 9.639 2.052 422 2HG PRO 59 2HG PRO 59 7.611 10.220 1.419 423 1HD PRO 59 1HD PRO 59 6.226 8.285 0.150 424 2HD PRO 59 2HD PRO 59 8.001 8.171 0.278 425 H SER 60 H SER 60 6.980 7.637 5.614 426 HA SER 60 HA SER 60 4.634 6.218 6.078 427 1HB SER 60 1HB SER 60 4.751 7.680 8.259 428 2HB SER 60 2HB SER 60 5.899 6.386 7.913 429 HG SER 60 HG SER 60 6.270 9.158 7.356 430 H CYS 61 H CYS 61 2.602 6.763 6.354 431 HA CYS 61 HA CYS 61 1.566 9.173 5.077 432 1HB CYS 61 1HB CYS 61 0.667 6.596 5.257 433 2HB CYS 61 2HB CYS 61 -0.291 7.329 6.528 434 H SER 62 H SER 62 -0.698 9.821 6.381 435 HA SER 62 HA SER 62 -0.239 10.186 9.250 436 1HB SER 62 1HB SER 62 0.593 12.297 8.198 437 2HB SER 62 2HB SER 62 -0.986 12.507 7.412 438 HG SER 62 HG SER 62 -1.837 12.357 9.626 Start of MODEL 7 1 1H THR 1 1H THR 1 -0.924 14.104 7.599 2 2H THR 1 2H THR 1 -0.952 15.310 6.481 3 3H THR 1 3H THR 1 -0.834 15.676 8.089 4 HA THR 1 HA THR 1 -3.148 14.420 6.815 5 HB THR 1 HB THR 1 -4.241 14.874 9.011 6 HG1 THR 1 HG1 THR 1 -2.779 15.141 10.780 7 1HG2 THR 1 1HG2 THR 1 -1.880 12.990 9.275 8 2HG2 THR 1 2HG2 THR 1 -3.443 12.894 10.092 9 3HG2 THR 1 3HG2 THR 1 -3.346 12.605 8.345 10 H LYS 2 H LYS 2 -2.722 16.240 5.217 11 HA LYS 2 HA LYS 2 -4.659 18.279 5.714 12 1HB LYS 2 1HB LYS 2 -2.768 19.326 6.928 13 2HB LYS 2 2HB LYS 2 -1.770 19.244 5.479 14 1HG LYS 2 1HG LYS 2 -3.190 20.753 4.288 15 2HG LYS 2 2HG LYS 2 -4.468 20.687 5.505 16 1HD LYS 2 1HD LYS 2 -1.709 21.675 6.287 17 2HD LYS 2 2HD LYS 2 -2.780 22.720 5.353 18 1HE LYS 2 1HE LYS 2 -2.982 23.214 7.723 19 2HE LYS 2 2HE LYS 2 -4.517 22.639 7.055 20 1HZ LYS 2 1HZ LYS 2 -4.079 20.512 8.033 21 2HZ LYS 2 2HZ LYS 2 -2.622 21.021 8.611 22 3HZ LYS 2 3HZ LYS 2 -4.015 21.685 9.185 23 H SER 3 H SER 3 -1.693 17.702 3.743 24 HA SER 3 HA SER 3 -2.743 18.577 1.277 25 1HB SER 3 1HB SER 3 -0.585 16.495 1.831 26 2HB SER 3 2HB SER 3 -0.820 17.389 0.314 27 HG SER 3 HG SER 3 0.766 18.347 1.663 28 H THR 4 H THR 4 -3.954 17.587 -0.288 29 HA THR 4 HA THR 4 -5.755 15.608 0.267 30 HB THR 4 HB THR 4 -4.656 16.364 -2.444 31 HG1 THR 4 HG1 THR 4 -6.367 17.874 -2.360 32 1HG2 THR 4 1HG2 THR 4 -6.945 15.783 -3.246 33 2HG2 THR 4 2HG2 THR 4 -6.101 14.371 -2.599 34 3HG2 THR 4 3HG2 THR 4 -7.350 15.181 -1.625 35 H THR 5 H THR 5 -5.610 13.516 0.584 36 HA THR 5 HA THR 5 -4.201 11.625 1.043 37 HB THR 5 HB THR 5 -5.302 10.012 -0.529 38 HG1 THR 5 HG1 THR 5 -6.397 12.397 -1.608 39 1HG2 THR 5 1HG2 THR 5 -6.391 10.717 1.564 40 2HG2 THR 5 2HG2 THR 5 -7.152 12.086 0.721 41 3HG2 THR 5 3HG2 THR 5 -7.568 10.423 0.269 42 H THR 6 H THR 6 -1.967 12.234 0.699 43 HA THR 6 HA THR 6 -0.775 12.154 -1.893 44 HB THR 6 HB THR 6 1.333 12.179 -0.608 45 HG1 THR 6 HG1 THR 6 1.159 12.287 1.668 46 1HG2 THR 6 1HG2 THR 6 0.099 14.285 -1.091 47 2HG2 THR 6 2HG2 THR 6 -0.747 14.136 0.466 48 3HG2 THR 6 3HG2 THR 6 1.013 14.368 0.428 49 H ALA 7 H ALA 7 0.869 10.655 -2.617 50 HA ALA 7 HA ALA 7 0.100 7.876 -2.337 51 1HB ALA 7 1HB ALA 7 0.903 8.713 -4.464 52 2HB ALA 7 2HB ALA 7 2.467 9.154 -3.740 53 3HB ALA 7 3HB ALA 7 1.981 7.447 -3.830 54 H CYS 8 H CYS 8 0.344 7.343 -0.154 55 HA CYS 8 HA CYS 8 3.131 6.815 0.673 56 1HB CYS 8 1HB CYS 8 2.704 7.633 2.936 57 2HB CYS 8 2HB CYS 8 2.835 8.852 1.707 58 H CYS 9 H CYS 9 3.190 5.602 2.651 59 HA CYS 9 HA CYS 9 1.214 3.454 2.976 60 1HB CYS 9 1HB CYS 9 2.212 2.800 0.899 61 2HB CYS 9 2HB CYS 9 3.834 3.222 1.444 62 H ASP 10 H ASP 10 1.913 2.031 4.765 63 HA ASP 10 HA ASP 10 3.596 3.590 6.687 64 1HB ASP 10 1HB ASP 10 1.298 3.536 7.314 65 2HB ASP 10 2HB ASP 10 1.185 1.792 7.050 66 HD2 ASP 10 HD2 ASP 10 3.287 3.071 10.297 67 H PHE 11 H PHE 11 2.537 0.145 6.409 68 HA PHE 11 HA PHE 11 5.272 -0.761 7.140 69 1HB PHE 11 1HB PHE 11 2.711 -2.282 6.628 70 2HB PHE 11 2HB PHE 11 4.223 -2.962 7.223 71 HD1 PHE 11 HD1 PHE 11 4.824 -0.712 9.318 72 HD2 PHE 11 HD2 PHE 11 1.324 -3.067 8.385 73 HE1 PHE 11 HE1 PHE 11 4.032 -0.459 11.630 74 HE2 PHE 11 HE2 PHE 11 0.541 -2.815 10.710 75 HZ PHE 11 HZ PHE 11 1.870 -1.469 12.339 76 H CYS 12 H CYS 12 6.615 -0.831 5.452 77 HA CYS 12 HA CYS 12 5.605 -1.955 2.898 78 1HB CYS 12 1HB CYS 12 5.956 0.537 2.855 79 2HB CYS 12 2HB CYS 12 7.685 0.216 2.907 80 HA PRO 13 HA PRO 13 9.326 -4.401 4.264 81 1HB PRO 13 1HB PRO 13 8.216 -6.900 4.148 82 2HB PRO 13 2HB PRO 13 8.083 -5.844 5.585 83 1HG PRO 13 1HG PRO 13 6.062 -6.167 3.345 84 2HG PRO 13 2HG PRO 13 5.774 -6.291 5.110 85 1HD PRO 13 1HD PRO 13 5.278 -3.995 3.771 86 2HD PRO 13 2HD PRO 13 6.029 -3.944 5.393 87 H CYS 14 H CYS 14 10.542 -5.846 2.891 88 HA CYS 14 HA CYS 14 9.611 -6.099 0.102 89 1HB CYS 14 1HB CYS 14 12.392 -5.162 0.904 90 2HB CYS 14 2HB CYS 14 11.693 -5.197 -0.708 91 H THR 15 H THR 15 10.837 -7.601 -1.181 92 HA THR 15 HA THR 15 11.703 -9.964 0.318 93 HB THR 15 HB THR 15 11.940 -10.932 -1.920 94 HG1 THR 15 HG1 THR 15 11.908 -9.746 -3.668 95 1HG2 THR 15 1HG2 THR 15 9.624 -10.881 -2.654 96 2HG2 THR 15 2HG2 THR 15 9.670 -10.898 -0.880 97 3HG2 THR 15 3HG2 THR 15 9.314 -9.388 -1.751 98 H ARG 16 H ARG 16 13.783 -10.964 -0.263 99 HA ARG 16 HA ARG 16 15.959 -9.008 -0.920 100 1HB ARG 16 1HB ARG 16 16.100 -11.477 0.846 101 2HB ARG 16 2HB ARG 16 17.427 -10.381 0.412 102 1HG ARG 16 1HG ARG 16 16.128 -8.489 1.496 103 2HG ARG 16 2HG ARG 16 14.941 -9.683 2.046 104 1HD ARG 16 1HD ARG 16 16.436 -9.318 3.883 105 2HD ARG 16 2HD ARG 16 16.783 -10.915 3.225 106 HE ARG 16 HE ARG 16 18.876 -10.231 2.569 107 1HH1 ARG 16 1HH1 ARG 16 16.979 -7.333 3.371 108 2HH1 ARG 16 2HH1 ARG 16 18.365 -6.274 3.363 109 1HH2 ARG 16 1HH2 ARG 16 20.677 -8.824 2.551 110 2HH2 ARG 16 2HH2 ARG 16 20.473 -7.124 2.885 111 H SER 17 H SER 17 14.236 -10.456 -2.796 112 HA SER 17 HA SER 17 15.975 -12.416 -4.089 113 1HB SER 17 1HB SER 17 14.193 -12.042 -5.915 114 2HB SER 17 2HB SER 17 13.680 -12.797 -4.412 115 HG SER 17 HG SER 17 12.296 -11.106 -5.183 116 H ILE 18 H ILE 18 16.240 -11.853 -6.512 117 HA ILE 18 HA ILE 18 17.272 -9.087 -6.872 118 HB ILE 18 HB ILE 18 18.637 -11.642 -7.655 119 1HG1 ILE 18 1HG1 ILE 18 19.016 -10.987 -5.296 120 2HG1 ILE 18 2HG1 ILE 18 20.473 -10.920 -6.281 121 1HG2 ILE 18 1HG2 ILE 18 19.211 -8.775 -8.464 122 2HG2 ILE 18 2HG2 ILE 18 20.422 -10.073 -8.561 123 3HG2 ILE 18 3HG2 ILE 18 18.939 -10.177 -9.513 124 1HD1 ILE 18 1HD1 ILE 18 18.815 -8.483 -5.474 125 2HD1 ILE 18 2HD1 ILE 18 20.337 -9.010 -4.753 126 3HD1 ILE 18 3HD1 ILE 18 20.309 -8.462 -6.435 127 HA PRO 19 HA PRO 19 16.666 -7.454 -8.011 128 1HB PRO 19 1HB PRO 19 14.438 -6.087 -8.851 129 2HB PRO 19 2HB PRO 19 15.872 -6.371 -9.878 130 1HG PRO 19 1HG PRO 19 13.298 -7.970 -9.812 131 2HG PRO 19 2HG PRO 19 14.156 -7.326 -11.243 132 1HD PRO 19 1HD PRO 19 14.459 -9.908 -10.411 133 2HD PRO 19 2HD PRO 19 15.841 -8.991 -11.073 134 HA PRO 20 HA PRO 20 13.757 -8.099 -4.551 135 1HB PRO 20 1HB PRO 20 14.126 -5.883 -3.070 136 2HB PRO 20 2HB PRO 20 15.442 -7.066 -3.329 137 1HG PRO 20 1HG PRO 20 14.974 -4.472 -4.837 138 2HG PRO 20 2HG PRO 20 16.494 -5.039 -4.087 139 1HD PRO 20 1HD PRO 20 15.927 -5.403 -6.754 140 2HD PRO 20 2HD PRO 20 16.866 -6.597 -5.808 141 H GLN 21 H GLN 21 11.654 -7.598 -3.972 142 HA GLN 21 HA GLN 21 10.227 -5.399 -5.408 143 1HB GLN 21 1HB GLN 21 9.478 -8.288 -4.789 144 2HB GLN 21 2HB GLN 21 8.274 -7.040 -5.063 145 1HG GLN 21 1HG GLN 21 8.644 -8.230 -7.138 146 2HG GLN 21 2HG GLN 21 9.188 -6.555 -7.299 147 1HE2 GLN 21 1HE2 GLN 21 10.586 -9.684 -6.107 148 2HE2 GLN 21 2HE2 GLN 21 12.112 -9.495 -6.957 149 H CYS 22 H CYS 22 9.223 -4.014 -4.094 150 HA CYS 22 HA CYS 22 8.855 -4.648 -1.208 151 1HB CYS 22 1HB CYS 22 8.976 -1.981 -2.613 152 2HB CYS 22 2HB CYS 22 8.647 -2.223 -0.909 153 H GLN 23 H GLN 23 6.888 -4.369 -0.297 154 HA GLN 23 HA GLN 23 4.544 -3.691 -1.979 155 1HB GLN 23 1HB GLN 23 3.453 -5.699 -1.207 156 2HB GLN 23 2HB GLN 23 4.930 -6.139 -2.080 157 1HG GLN 23 1HG GLN 23 6.087 -6.601 0.036 158 2HG GLN 23 2HG GLN 23 4.689 -6.040 0.965 159 1HE2 GLN 23 1HE2 GLN 23 5.700 -8.525 -1.421 160 2HE2 GLN 23 2HE2 GLN 23 4.522 -9.717 -0.909 161 H CYS 24 H CYS 24 2.622 -3.307 -0.641 162 HA CYS 24 HA CYS 24 3.306 -2.189 2.040 163 1HB CYS 24 1HB CYS 24 1.250 -1.475 -0.045 164 2HB CYS 24 2HB CYS 24 1.172 -0.883 1.623 165 H THR 25 H THR 25 2.496 -3.138 3.777 166 HA THR 25 HA THR 25 0.487 -5.321 3.441 167 HB THR 25 HB THR 25 1.519 -6.175 5.545 168 HG1 THR 25 HG1 THR 25 3.506 -5.227 6.141 169 1HG2 THR 25 1HG2 THR 25 2.249 -6.958 3.299 170 2HG2 THR 25 2HG2 THR 25 3.498 -5.692 3.276 171 3HG2 THR 25 3HG2 THR 25 3.559 -6.986 4.496 172 H ASP 26 H ASP 26 0.909 -2.153 4.924 173 HA ASP 26 HA ASP 26 -0.818 -2.475 7.115 174 1HB ASP 26 1HB ASP 26 -1.037 0.012 6.867 175 2HB ASP 26 2HB ASP 26 0.593 -0.618 7.027 176 HD2 ASP 26 HD2 ASP 26 -0.630 1.086 3.537 177 H VAL 27 H VAL 27 -2.928 -2.071 7.382 178 HA VAL 27 HA VAL 27 -4.705 -2.236 4.977 179 HB VAL 27 HB VAL 27 -5.044 -3.426 7.766 180 1HG1 VAL 27 1HG1 VAL 27 -7.044 -4.540 6.704 181 2HG1 VAL 27 2HG1 VAL 27 -7.208 -2.791 6.904 182 3HG1 VAL 27 3HG1 VAL 27 -6.835 -3.472 5.299 183 1HG2 VAL 27 1HG2 VAL 27 -3.407 -4.691 6.429 184 2HG2 VAL 27 2HG2 VAL 27 -4.916 -5.596 6.557 185 3HG2 VAL 27 3HG2 VAL 27 -4.533 -4.731 5.055 186 H ARG 28 H ARG 28 -6.405 -0.775 4.859 187 HA ARG 28 HA ARG 28 -7.117 0.945 7.100 188 1HB ARG 28 1HB ARG 28 -4.810 1.689 5.902 189 2HB ARG 28 2HB ARG 28 -5.924 2.452 4.773 190 1HG ARG 28 1HG ARG 28 -6.980 3.623 6.786 191 2HG ARG 28 2HG ARG 28 -5.765 2.850 7.807 192 1HD ARG 28 1HD ARG 28 -5.145 4.737 5.482 193 2HD ARG 28 2HD ARG 28 -5.231 5.202 7.175 194 HE ARG 28 HE ARG 28 -3.274 4.104 7.699 195 1HH1 ARG 28 1HH1 ARG 28 -4.005 3.596 4.247 196 2HH1 ARG 28 2HH1 ARG 28 -2.394 3.047 3.874 197 1HH2 ARG 28 1HH2 ARG 28 -1.196 3.339 7.183 198 2HH2 ARG 28 2HH2 ARG 28 -0.813 2.864 5.547 199 H GLU 29 H GLU 29 -8.096 3.095 5.312 200 HA GLU 29 HA GLU 29 -10.352 1.807 4.029 201 1HB GLU 29 1HB GLU 29 -10.022 4.179 5.302 202 2HB GLU 29 2HB GLU 29 -9.612 4.716 3.682 203 1HG GLU 29 1HG GLU 29 -11.930 5.083 4.041 204 2HG GLU 29 2HG GLU 29 -11.847 3.689 2.942 205 HE2 GLU 29 HE2 GLU 29 -13.448 1.546 5.160 206 H LYS 30 H LYS 30 -10.280 3.778 1.761 207 HA LYS 30 HA LYS 30 -9.376 1.963 -0.137 208 1HB LYS 30 1HB LYS 30 -9.628 4.932 -0.590 209 2HB LYS 30 2HB LYS 30 -9.807 3.643 -1.771 210 1HG LYS 30 1HG LYS 30 -12.023 3.681 -1.449 211 2HG LYS 30 2HG LYS 30 -11.731 2.956 0.122 212 1HD LYS 30 1HD LYS 30 -13.020 4.794 0.678 213 2HD LYS 30 2HD LYS 30 -11.405 5.451 0.949 214 1HE LYS 30 1HE LYS 30 -13.148 5.825 -1.545 215 2HE LYS 30 2HE LYS 30 -12.906 7.021 -0.264 216 1HZ LYS 30 1HZ LYS 30 -10.617 7.145 -0.849 217 2HZ LYS 30 2HZ LYS 30 -10.786 5.980 -2.004 218 3HZ LYS 30 3HZ LYS 30 -11.542 7.431 -2.184 219 H CYS 31 H CYS 31 -7.776 2.230 -1.830 220 HA CYS 31 HA CYS 31 -5.179 2.514 -0.692 221 1HB CYS 31 1HB CYS 31 -6.024 2.060 -3.570 222 2HB CYS 31 2HB CYS 31 -4.435 1.809 -2.875 223 H HIS 32 H HIS 32 -3.402 3.690 -1.869 224 HA HIS 32 HA HIS 32 -4.109 6.469 -1.712 225 1HB HIS 32 1HB HIS 32 -1.761 6.917 -1.821 226 2HB HIS 32 2HB HIS 32 -2.130 5.709 -0.645 227 HD1 HIS 32 HD1 HIS 32 -0.168 6.288 -3.806 228 HD2 HIS 32 HD2 HIS 32 -1.134 3.142 -1.193 229 HE1 HIS 32 HE1 HIS 32 1.368 4.339 -4.386 230 HE2 HIS 32 HE2 HIS 32 0.801 2.404 -2.797 231 H SER 33 H SER 33 -3.035 8.025 -3.123 232 HA SER 33 HA SER 33 -4.455 8.124 -5.519 233 1HB SER 33 1HB SER 33 -3.718 10.075 -4.240 234 2HB SER 33 2HB SER 33 -2.044 9.758 -4.740 235 HG SER 33 HG SER 33 -2.854 9.970 -6.938 236 H ALA 34 H ALA 34 -1.337 6.712 -4.991 237 HA ALA 34 HA ALA 34 -0.916 6.379 -7.936 238 1HB ALA 34 1HB ALA 34 0.746 7.909 -6.773 239 2HB ALA 34 2HB ALA 34 1.244 6.502 -5.805 240 3HB ALA 34 3HB ALA 34 1.461 6.491 -7.566 241 H CYS 35 H CYS 35 -2.453 4.658 -6.098 242 HA CYS 35 HA CYS 35 -0.802 2.200 -6.015 243 1HB CYS 35 1HB CYS 35 -2.369 2.762 -4.136 244 2HB CYS 35 2HB CYS 35 -3.714 2.570 -5.269 245 H LYS 36 H LYS 36 -1.057 0.553 -7.525 246 HA LYS 36 HA LYS 36 -2.639 1.158 -9.954 247 1HB LYS 36 1HB LYS 36 -0.300 -0.724 -9.420 248 2HB LYS 36 2HB LYS 36 -1.130 -0.493 -10.960 249 1HG LYS 36 1HG LYS 36 -0.492 1.963 -10.855 250 2HG LYS 36 2HG LYS 36 0.507 1.573 -9.436 251 1HD LYS 36 1HD LYS 36 1.712 -0.149 -10.834 252 2HD LYS 36 2HD LYS 36 0.753 0.371 -12.234 253 1HE LYS 36 1HE LYS 36 1.686 2.688 -11.963 254 2HE LYS 36 2HE LYS 36 2.708 2.090 -10.640 255 1HZ LYS 36 1HZ LYS 36 3.718 0.581 -12.204 256 2HZ LYS 36 2HZ LYS 36 2.767 1.148 -13.424 257 3HZ LYS 36 3HZ LYS 36 3.874 2.140 -12.715 258 H SER 37 H SER 37 -1.770 -1.560 -7.814 259 HA SER 37 HA SER 37 -4.316 -2.968 -8.539 260 1HB SER 37 1HB SER 37 -2.275 -4.269 -8.984 261 2HB SER 37 2HB SER 37 -1.778 -4.085 -7.291 262 HG SER 37 HG SER 37 -4.143 -5.326 -8.269 263 H CYS 38 H CYS 38 -5.822 -2.732 -7.065 264 HA CYS 38 HA CYS 38 -5.168 -2.354 -4.168 265 1HB CYS 38 1HB CYS 38 -5.859 -0.220 -5.239 266 2HB CYS 38 2HB CYS 38 -7.349 -0.995 -5.792 267 H LEU 39 H LEU 39 -6.421 -3.596 -2.792 268 HA LEU 39 HA LEU 39 -8.784 -4.998 -3.855 269 1HB LEU 39 1HB LEU 39 -6.599 -6.437 -4.201 270 2HB LEU 39 2HB LEU 39 -6.635 -6.590 -2.442 271 HG LEU 39 HG LEU 39 -8.948 -7.597 -2.630 272 1HD1 LEU 39 1HD1 LEU 39 -8.214 -7.650 -5.597 273 2HD1 LEU 39 2HD1 LEU 39 -9.540 -8.567 -4.856 274 3HD1 LEU 39 3HD1 LEU 39 -9.603 -6.802 -4.882 275 1HD2 LEU 39 1HD2 LEU 39 -6.674 -9.019 -4.064 276 2HD2 LEU 39 2HD2 LEU 39 -6.913 -8.945 -2.305 277 3HD2 LEU 39 3HD2 LEU 39 -8.092 -9.787 -3.321 278 H CYS 40 H CYS 40 -10.154 -5.823 -2.183 279 HA CYS 40 HA CYS 40 -9.534 -4.902 0.562 280 1HB CYS 40 1HB CYS 40 -12.257 -4.672 -0.738 281 2HB CYS 40 2HB CYS 40 -11.740 -3.943 0.771 282 H THR 41 H THR 41 -10.798 -5.941 2.203 283 HA THR 41 HA THR 41 -11.110 -8.813 1.507 284 HB THR 41 HB THR 41 -9.629 -8.272 3.377 285 HG1 THR 41 HG1 THR 41 -10.985 -9.661 4.887 286 1HG2 THR 41 1HG2 THR 41 -12.152 -7.274 4.777 287 2HG2 THR 41 2HG2 THR 41 -10.579 -7.570 5.541 288 3HG2 THR 41 3HG2 THR 41 -10.742 -6.296 4.326 289 H ARG 42 H ARG 42 -12.944 -10.008 2.149 290 HA ARG 42 HA ARG 42 -15.479 -8.508 2.111 291 1HB ARG 42 1HB ARG 42 -16.493 -10.645 1.671 292 2HB ARG 42 2HB ARG 42 -15.201 -10.297 0.516 293 1HG ARG 42 1HG ARG 42 -13.695 -11.828 1.699 294 2HG ARG 42 2HG ARG 42 -14.951 -12.152 2.922 295 1HD ARG 42 1HD ARG 42 -16.417 -13.109 1.218 296 2HD ARG 42 2HD ARG 42 -15.278 -12.639 -0.065 297 HE ARG 42 HE ARG 42 -13.960 -14.307 1.846 298 1HH1 ARG 42 1HH1 ARG 42 -16.349 -14.471 -0.777 299 2HH1 ARG 42 2HH1 ARG 42 -15.937 -16.106 -1.225 300 1HH2 ARG 42 1HH2 ARG 42 -13.429 -16.459 1.248 301 2HH2 ARG 42 2HH2 ARG 42 -14.272 -17.243 -0.063 302 H SER 43 H SER 43 -13.444 -8.964 4.558 303 HA SER 43 HA SER 43 -14.987 -10.255 6.536 304 1HB SER 43 1HB SER 43 -12.955 -8.021 6.879 305 2HB SER 43 2HB SER 43 -13.416 -9.250 8.057 306 HG SER 43 HG SER 43 -11.499 -9.853 7.057 307 H PHE 44 H PHE 44 -15.638 -8.884 8.547 308 HA PHE 44 HA PHE 44 -17.157 -6.451 7.739 309 1HB PHE 44 1HB PHE 44 -18.678 -8.326 7.926 310 2HB PHE 44 2HB PHE 44 -18.135 -8.639 9.572 311 HD1 PHE 44 HD1 PHE 44 -18.943 -7.270 11.428 312 HD2 PHE 44 HD2 PHE 44 -19.837 -6.165 7.354 313 HE1 PHE 44 HE1 PHE 44 -20.543 -5.560 12.238 314 HE2 PHE 44 HE2 PHE 44 -21.435 -4.455 8.173 315 HZ PHE 44 HZ PHE 44 -21.791 -4.149 10.615 316 HA PRO 45 HA PRO 45 -17.052 -4.355 8.221 317 1HB PRO 45 1HB PRO 45 -15.289 -2.301 8.484 318 2HB PRO 45 2HB PRO 45 -16.673 -2.565 9.578 319 1HG PRO 45 1HG PRO 45 -13.806 -3.458 10.030 320 2HG PRO 45 2HG PRO 45 -14.848 -2.521 11.142 321 1HD PRO 45 1HD PRO 45 -14.601 -5.217 11.365 322 2HD PRO 45 2HD PRO 45 -16.194 -4.440 11.598 323 HA PRO 46 HA PRO 46 -13.843 -5.520 5.184 324 1HB PRO 46 1HB PRO 46 -14.764 -4.290 2.971 325 2HB PRO 46 2HB PRO 46 -15.695 -5.593 3.761 326 1HG PRO 46 1HG PRO 46 -16.113 -2.606 4.053 327 2HG PRO 46 2HG PRO 46 -17.336 -3.863 3.729 328 1HD PRO 46 1HD PRO 46 -16.805 -2.896 6.260 329 2HD PRO 46 2HD PRO 46 -17.337 -4.577 5.949 330 H GLN 47 H GLN 47 -11.785 -4.689 5.069 331 HA GLN 47 HA GLN 47 -11.371 -1.740 4.808 332 1HB GLN 47 1HB GLN 47 -9.746 -3.930 6.168 333 2HB GLN 47 2HB GLN 47 -9.067 -2.394 5.649 334 1HG GLN 47 1HG GLN 47 -9.606 -2.212 7.988 335 2HG GLN 47 2HG GLN 47 -10.654 -1.138 7.052 336 1HE2 GLN 47 1HE2 GLN 47 -10.584 -4.558 8.247 337 2HE2 GLN 47 2HE2 GLN 47 -12.288 -4.614 8.663 338 H CYS 48 H CYS 48 -9.555 -1.140 3.484 339 HA CYS 48 HA CYS 48 -9.048 -3.006 1.231 340 1HB CYS 48 1HB CYS 48 -9.365 -0.018 1.343 341 2HB CYS 48 2HB CYS 48 -8.781 -0.888 -0.069 342 H ARG 49 H ARG 49 -7.017 -2.746 0.148 343 HA ARG 49 HA ARG 49 -4.763 -1.568 1.597 344 1HB ARG 49 1HB ARG 49 -5.123 -3.587 2.825 345 2HB ARG 49 2HB ARG 49 -5.214 -4.555 1.349 346 1HG ARG 49 1HG ARG 49 -2.683 -3.039 2.041 347 2HG ARG 49 2HG ARG 49 -3.078 -4.525 2.905 348 1HD ARG 49 1HD ARG 49 -2.629 -4.289 -0.083 349 2HD ARG 49 2HD ARG 49 -1.572 -5.014 1.101 350 HE ARG 49 HE ARG 49 -3.030 -6.827 1.427 351 1HH1 ARG 49 1HH1 ARG 49 -4.217 -4.707 -1.194 352 2HH1 ARG 49 2HH1 ARG 49 -4.841 -6.036 -2.121 353 1HH2 ARG 49 1HH2 ARG 49 -4.064 -8.505 0.272 354 2HH2 ARG 49 2HH2 ARG 49 -4.895 -8.163 -1.224 355 H CYS 50 H CYS 50 -2.975 -1.464 0.362 356 HA CYS 50 HA CYS 50 -3.493 -1.507 -2.566 357 1HB CYS 50 1HB CYS 50 -2.767 0.624 -1.595 358 2HB CYS 50 2HB CYS 50 -1.295 -0.145 -0.991 359 H TYR 51 H TYR 51 -2.710 -3.036 -3.800 360 HA TYR 51 HA TYR 51 -0.731 -4.966 -2.738 361 1HB TYR 51 1HB TYR 51 -3.149 -5.520 -3.575 362 2HB TYR 51 2HB TYR 51 -2.527 -5.209 -5.169 363 HD1 TYR 51 HD1 TYR 51 -1.732 -7.207 -2.076 364 HD2 TYR 51 HD2 TYR 51 -1.628 -7.047 -6.385 365 HE1 TYR 51 HE1 TYR 51 -0.906 -9.540 -2.143 366 HE2 TYR 51 HE2 TYR 51 -0.764 -9.365 -6.447 367 HH TYR 51 HH TYR 51 -0.175 -11.274 -3.473 368 H ASP 52 H ASP 52 -0.563 -2.204 -4.552 369 HA ASP 52 HA ASP 52 0.762 -2.929 -6.923 370 1HB ASP 52 1HB ASP 52 -0.139 -0.703 -6.431 371 2HB ASP 52 2HB ASP 52 1.061 -0.467 -5.154 372 HD2 ASP 52 HD2 ASP 52 2.894 -0.738 -8.729 373 H ILE 53 H ILE 53 2.755 -3.704 -7.301 374 HA ILE 53 HA ILE 53 4.707 -3.961 -5.064 375 HB ILE 53 HB ILE 53 4.547 -5.483 -7.695 376 1HG1 ILE 53 1HG1 ILE 53 2.548 -6.069 -6.475 377 2HG1 ILE 53 2HG1 ILE 53 3.690 -7.404 -6.464 378 1HG2 ILE 53 1HG2 ILE 53 6.074 -7.068 -6.506 379 2HG2 ILE 53 2HG2 ILE 53 6.783 -5.469 -6.765 380 3HG2 ILE 53 3HG2 ILE 53 6.175 -5.909 -5.161 381 1HD1 ILE 53 1HD1 ILE 53 3.256 -5.482 -4.132 382 2HD1 ILE 53 2HD1 ILE 53 2.597 -7.119 -4.277 383 3HD1 ILE 53 3HD1 ILE 53 4.349 -6.891 -4.159 384 H THR 54 H THR 54 6.586 -2.825 -5.237 385 HA THR 54 HA THR 54 7.547 -1.961 -7.897 386 HB THR 54 HB THR 54 8.075 0.319 -6.779 387 HG1 THR 54 HG1 THR 54 7.391 -0.261 -4.685 388 1HG2 THR 54 1HG2 THR 54 6.474 0.108 -8.629 389 2HG2 THR 54 2HG2 THR 54 5.175 -0.294 -7.475 390 3HG2 THR 54 3HG2 THR 54 5.936 1.307 -7.433 391 H ASP 55 H ASP 55 9.774 -1.461 -7.930 392 HA ASP 55 HA ASP 55 11.439 -2.911 -6.113 393 1HB ASP 55 1HB ASP 55 12.080 -0.685 -8.094 394 2HB ASP 55 2HB ASP 55 13.266 -1.720 -7.293 395 HD2 ASP 55 HD2 ASP 55 12.595 -4.517 -9.312 396 H PHE 56 H PHE 56 10.410 0.454 -6.345 397 HA PHE 56 HA PHE 56 11.906 1.259 -3.904 398 1HB PHE 56 1HB PHE 56 11.022 3.509 -4.422 399 2HB PHE 56 2HB PHE 56 11.965 2.827 -5.709 400 HD1 PHE 56 HD1 PHE 56 10.904 2.183 -7.867 401 HD2 PHE 56 HD2 PHE 56 8.589 3.890 -4.649 402 HE1 PHE 56 HE1 PHE 56 9.028 2.604 -9.431 403 HE2 PHE 56 HE2 PHE 56 6.725 4.310 -6.219 404 HZ PHE 56 HZ PHE 56 6.937 3.672 -8.612 405 H CYS 57 H CYS 57 10.382 2.843 -2.579 406 HA CYS 57 HA CYS 57 7.586 2.139 -2.565 407 1HB CYS 57 1HB CYS 57 8.645 0.437 -1.045 408 2HB CYS 57 2HB CYS 57 9.079 1.749 0.059 409 H TYR 58 H TYR 58 6.312 3.665 -1.436 410 HA TYR 58 HA TYR 58 7.383 6.341 -1.359 411 1HB TYR 58 1HB TYR 58 4.687 5.156 -0.571 412 2HB TYR 58 2HB TYR 58 5.047 6.867 -0.705 413 HD1 TYR 58 HD1 TYR 58 5.434 7.946 -2.896 414 HD2 TYR 58 HD2 TYR 58 4.358 3.779 -2.591 415 HE1 TYR 58 HE1 TYR 58 4.899 7.903 -5.318 416 HE2 TYR 58 HE2 TYR 58 3.880 3.725 -5.017 417 HH TYR 58 HH TYR 58 3.779 4.925 -6.971 418 HA PRO 59 HA PRO 59 8.429 6.322 2.958 419 1HB PRO 59 1HB PRO 59 8.191 8.942 3.701 420 2HB PRO 59 2HB PRO 59 9.397 8.381 2.512 421 1HG PRO 59 1HG PRO 59 6.655 9.543 1.940 422 2HG PRO 59 2HG PRO 59 8.224 10.078 1.263 423 1HD PRO 59 1HD PRO 59 6.608 8.373 -0.085 424 2HD PRO 59 2HD PRO 59 8.378 8.137 -0.107 425 H SER 60 H SER 60 7.546 7.311 5.204 426 HA SER 60 HA SER 60 5.288 5.863 5.811 427 1HB SER 60 1HB SER 60 5.399 7.607 7.866 428 2HB SER 60 2HB SER 60 6.410 6.174 7.673 429 HG SER 60 HG SER 60 7.575 8.159 8.121 430 H CYS 61 H CYS 61 3.218 6.235 5.988 431 HA CYS 61 HA CYS 61 2.078 8.707 4.888 432 1HB CYS 61 1HB CYS 61 1.395 6.075 4.642 433 2HB CYS 61 2HB CYS 61 0.305 6.511 5.930 434 H SER 62 H SER 62 0.009 9.383 5.910 435 HA SER 62 HA SER 62 -1.137 9.766 8.100 436 1HB SER 62 1HB SER 62 0.704 9.363 9.597 437 2HB SER 62 2HB SER 62 1.669 10.676 8.866 438 HG SER 62 HG SER 62 0.001 12.089 9.531 Start of MODEL 8 1 1H THR 1 1H THR 1 5.356 23.197 -8.849 2 2H THR 1 2H THR 1 3.714 23.006 -8.938 3 3H THR 1 3H THR 1 4.470 22.953 -7.476 4 HA THR 1 HA THR 1 4.892 21.016 -9.615 5 HB THR 1 HB THR 1 5.993 19.711 -7.798 6 HG1 THR 1 HG1 THR 1 6.592 20.933 -5.937 7 1HG2 THR 1 1HG2 THR 1 7.333 21.051 -9.408 8 2HG2 THR 1 2HG2 THR 1 7.279 22.435 -8.294 9 3HG2 THR 1 3HG2 THR 1 8.095 20.940 -7.812 10 H LYS 2 H LYS 2 4.178 18.750 -8.754 11 HA LYS 2 HA LYS 2 1.315 18.914 -8.461 12 1HB LYS 2 1HB LYS 2 3.224 16.552 -8.462 13 2HB LYS 2 2HB LYS 2 1.452 16.447 -8.533 14 1HG LYS 2 1HG LYS 2 1.498 17.854 -10.616 15 2HG LYS 2 2HG LYS 2 3.267 17.757 -10.615 16 1HD LYS 2 1HD LYS 2 1.342 15.391 -10.754 17 2HD LYS 2 2HD LYS 2 2.202 16.111 -12.126 18 1HE LYS 2 1HE LYS 2 4.386 15.539 -11.016 19 2HE LYS 2 2HE LYS 2 3.483 14.701 -9.737 20 1HZ LYS 2 1HZ LYS 2 3.421 14.022 -12.585 21 2HZ LYS 2 2HZ LYS 2 4.223 13.201 -11.404 22 3HZ LYS 2 3HZ LYS 2 2.578 13.258 -11.393 23 H SER 3 H SER 3 0.731 19.754 -6.494 24 HA SER 3 HA SER 3 1.630 18.383 -3.994 25 1HB SER 3 1HB SER 3 1.078 20.534 -2.923 26 2HB SER 3 2HB SER 3 2.318 20.711 -4.180 27 HG SER 3 HG SER 3 -0.451 21.210 -4.513 28 H THR 4 H THR 4 -0.007 16.697 -4.569 29 HA THR 4 HA THR 4 -2.463 17.240 -3.136 30 HB THR 4 HB THR 4 -3.027 17.986 -5.462 31 HG1 THR 4 HG1 THR 4 -4.561 17.086 -4.029 32 1HG2 THR 4 1HG2 THR 4 -1.557 16.337 -6.686 33 2HG2 THR 4 2HG2 THR 4 -2.712 15.057 -6.250 34 3HG2 THR 4 3HG2 THR 4 -3.228 16.409 -7.274 35 H THR 5 H THR 5 -3.771 15.163 -3.065 36 HA THR 5 HA THR 5 -3.283 13.243 -1.627 37 HB THR 5 HB THR 5 -4.301 11.529 -3.087 38 HG1 THR 5 HG1 THR 5 -3.240 12.252 -5.013 39 1HG2 THR 5 1HG2 THR 5 -5.714 13.197 -1.923 40 2HG2 THR 5 2HG2 THR 5 -5.632 14.258 -3.349 41 3HG2 THR 5 3HG2 THR 5 -6.414 12.672 -3.465 42 H THR 6 H THR 6 -1.081 13.047 -1.084 43 HA THR 6 HA THR 6 0.845 12.006 -2.965 44 HB THR 6 HB THR 6 2.314 12.038 -0.964 45 HG1 THR 6 HG1 THR 6 0.663 11.672 0.591 46 1HG2 THR 6 1HG2 THR 6 0.743 14.625 -1.354 47 2HG2 THR 6 2HG2 THR 6 2.406 14.455 -0.758 48 3HG2 THR 6 3HG2 THR 6 2.024 14.034 -2.439 49 H ALA 7 H ALA 7 1.916 10.038 -2.907 50 HA ALA 7 HA ALA 7 0.482 7.666 -2.136 51 1HB ALA 7 1HB ALA 7 2.112 7.718 -3.985 52 2HB ALA 7 2HB ALA 7 3.412 8.140 -2.849 53 3HB ALA 7 3HB ALA 7 2.626 6.559 -2.728 54 H CYS 8 H CYS 8 0.574 6.509 -0.220 55 HA CYS 8 HA CYS 8 2.935 6.646 1.401 56 1HB CYS 8 1HB CYS 8 1.885 7.286 3.492 57 2HB CYS 8 2HB CYS 8 1.985 8.586 2.356 58 H CYS 9 H CYS 9 2.790 5.348 3.291 59 HA CYS 9 HA CYS 9 0.939 3.134 3.529 60 1HB CYS 9 1HB CYS 9 1.999 2.403 1.494 61 2HB CYS 9 2HB CYS 9 3.600 2.853 2.105 62 H ASP 10 H ASP 10 1.605 1.768 5.346 63 HA ASP 10 HA ASP 10 3.593 3.088 7.153 64 1HB ASP 10 1HB ASP 10 1.304 2.965 8.003 65 2HB ASP 10 2HB ASP 10 1.259 1.218 7.739 66 HD2 ASP 10 HD2 ASP 10 2.022 1.255 11.163 67 H PHE 11 H PHE 11 2.305 -0.263 6.638 68 HA PHE 11 HA PHE 11 4.947 -1.402 7.188 69 1HB PHE 11 1HB PHE 11 2.434 -2.776 6.285 70 2HB PHE 11 2HB PHE 11 3.816 -3.491 7.120 71 HD1 PHE 11 HD1 PHE 11 4.105 -1.386 9.360 72 HD2 PHE 11 HD2 PHE 11 0.662 -3.411 7.716 73 HE1 PHE 11 HE1 PHE 11 2.888 -1.054 11.478 74 HE2 PHE 11 HE2 PHE 11 -0.561 -3.035 9.826 75 HZ PHE 11 HZ PHE 11 0.539 -1.842 11.713 76 H CYS 12 H CYS 12 6.301 -0.959 5.529 77 HA CYS 12 HA CYS 12 5.547 -1.860 2.774 78 1HB CYS 12 1HB CYS 12 5.883 0.577 2.928 79 2HB CYS 12 2HB CYS 12 7.548 0.310 3.428 80 HA PRO 13 HA PRO 13 9.147 -4.506 3.945 81 1HB PRO 13 1HB PRO 13 8.112 -6.951 3.364 82 2HB PRO 13 2HB PRO 13 7.812 -6.134 4.925 83 1HG PRO 13 1HG PRO 13 6.008 -6.187 2.497 84 2HG PRO 13 2HG PRO 13 5.568 -6.527 4.196 85 1HD PRO 13 1HD PRO 13 5.181 -4.079 3.042 86 2HD PRO 13 2HD PRO 13 5.627 -4.243 4.767 87 H CYS 14 H CYS 14 10.454 -5.672 2.413 88 HA CYS 14 HA CYS 14 9.613 -5.676 -0.405 89 1HB CYS 14 1HB CYS 14 12.360 -4.784 0.553 90 2HB CYS 14 2HB CYS 14 11.770 -4.813 -1.100 91 H THR 15 H THR 15 10.834 -7.193 -1.675 92 HA THR 15 HA THR 15 11.413 -9.627 -0.191 93 HB THR 15 HB THR 15 11.665 -10.595 -2.424 94 HG1 THR 15 HG1 THR 15 11.718 -9.380 -4.197 95 1HG2 THR 15 1HG2 THR 15 9.260 -8.707 -2.347 96 2HG2 THR 15 2HG2 THR 15 9.413 -10.201 -3.289 97 3HG2 THR 15 3HG2 THR 15 9.363 -10.272 -1.518 98 H ARG 16 H ARG 16 13.388 -10.885 -0.886 99 HA ARG 16 HA ARG 16 15.836 -9.183 -0.725 100 1HB ARG 16 1HB ARG 16 16.862 -11.056 0.350 101 2HB ARG 16 2HB ARG 16 15.389 -10.568 1.212 102 1HG ARG 16 1HG ARG 16 14.160 -12.464 0.159 103 2HG ARG 16 2HG ARG 16 15.649 -12.959 -0.675 104 1HD ARG 16 1HD ARG 16 16.756 -13.332 1.486 105 2HD ARG 16 2HD ARG 16 15.310 -12.748 2.343 106 HE ARG 16 HE ARG 16 14.595 -14.881 0.584 107 1HH1 ARG 16 1HH1 ARG 16 16.279 -14.319 3.659 108 2HH1 ARG 16 2HH1 ARG 16 15.925 -15.907 4.288 109 1HH2 ARG 16 1HH2 ARG 16 14.138 -16.956 1.416 110 2HH2 ARG 16 2HH2 ARG 16 14.699 -17.419 3.001 111 H SER 17 H SER 17 14.144 -10.500 -3.095 112 HA SER 17 HA SER 17 15.990 -12.223 -4.466 113 1HB SER 17 1HB SER 17 14.277 -11.753 -6.344 114 2HB SER 17 2HB SER 17 13.683 -12.512 -4.874 115 HG SER 17 HG SER 17 12.429 -10.689 -5.655 116 H ILE 18 H ILE 18 16.307 -11.586 -6.877 117 HA ILE 18 HA ILE 18 17.668 -8.960 -7.065 118 HB ILE 18 HB ILE 18 19.236 -10.653 -6.535 119 1HG1 ILE 18 1HG1 ILE 18 20.808 -10.492 -8.431 120 2HG1 ILE 18 2HG1 ILE 18 19.519 -9.888 -9.477 121 1HG2 ILE 18 1HG2 ILE 18 18.638 -12.222 -9.056 122 2HG2 ILE 18 2HG2 ILE 18 19.767 -12.591 -7.756 123 3HG2 ILE 18 3HG2 ILE 18 18.033 -12.674 -7.446 124 1HD1 ILE 18 1HD1 ILE 18 19.348 -7.845 -8.147 125 2HD1 ILE 18 2HD1 ILE 18 20.440 -8.514 -6.908 126 3HD1 ILE 18 3HD1 ILE 18 21.052 -8.127 -8.528 127 HA PRO 19 HA PRO 19 17.007 -7.153 -7.946 128 1HB PRO 19 1HB PRO 19 15.050 -5.562 -8.849 129 2HB PRO 19 2HB PRO 19 16.479 -5.963 -9.844 130 1HG PRO 19 1HG PRO 19 13.752 -7.294 -9.934 131 2HG PRO 19 2HG PRO 19 14.687 -6.628 -11.308 132 1HD PRO 19 1HD PRO 19 14.774 -9.279 -10.635 133 2HD PRO 19 2HD PRO 19 16.226 -8.431 -11.238 134 HA PRO 20 HA PRO 20 13.736 -7.942 -4.897 135 1HB PRO 20 1HB PRO 20 14.125 -5.948 -3.118 136 2HB PRO 20 2HB PRO 20 15.349 -7.223 -3.372 137 1HG PRO 20 1HG PRO 20 15.306 -4.444 -4.581 138 2HG PRO 20 2HG PRO 20 16.669 -5.274 -3.777 139 1HD PRO 20 1HD PRO 20 16.320 -5.233 -6.520 140 2HD PRO 20 2HD PRO 20 17.093 -6.599 -5.661 141 H GLN 21 H GLN 21 11.592 -7.359 -4.702 142 HA GLN 21 HA GLN 21 10.632 -4.813 -5.915 143 1HB GLN 21 1HB GLN 21 8.450 -6.126 -5.807 144 2HB GLN 21 2HB GLN 21 9.536 -6.408 -7.158 145 1HG GLN 21 1HG GLN 21 9.254 -8.177 -4.690 146 2HG GLN 21 2HG GLN 21 8.381 -8.419 -6.199 147 1HE2 GLN 21 1HE2 GLN 21 11.069 -7.512 -7.649 148 2HE2 GLN 21 2HE2 GLN 21 12.018 -8.975 -7.604 149 H CYS 22 H CYS 22 9.375 -3.525 -4.681 150 HA CYS 22 HA CYS 22 9.033 -4.183 -1.797 151 1HB CYS 22 1HB CYS 22 9.260 -1.585 -3.266 152 2HB CYS 22 2HB CYS 22 8.759 -1.699 -1.580 153 H GLN 23 H GLN 23 7.108 -3.895 -0.862 154 HA GLN 23 HA GLN 23 4.690 -3.356 -2.467 155 1HB GLN 23 1HB GLN 23 3.759 -5.483 -1.736 156 2HB GLN 23 2HB GLN 23 5.229 -5.782 -2.671 157 1HG GLN 23 1HG GLN 23 6.483 -6.038 -0.490 158 2HG GLN 23 2HG GLN 23 4.941 -5.885 0.372 159 1HE2 GLN 23 1HE2 GLN 23 3.150 -7.456 -0.587 160 2HE2 GLN 23 2HE2 GLN 23 3.704 -9.097 -0.847 161 H CYS 24 H CYS 24 2.753 -3.746 -0.759 162 HA CYS 24 HA CYS 24 3.584 -2.840 1.928 163 1HB CYS 24 1HB CYS 24 1.761 -1.377 0.034 164 2HB CYS 24 2HB CYS 24 1.465 -1.319 1.775 165 H THR 25 H THR 25 2.353 -3.398 3.583 166 HA THR 25 HA THR 25 0.087 -5.291 3.100 167 HB THR 25 HB THR 25 0.854 -6.507 5.083 168 HG1 THR 25 HG1 THR 25 1.939 -4.906 6.184 169 1HG2 THR 25 1HG2 THR 25 2.842 -7.556 4.157 170 2HG2 THR 25 2HG2 THR 25 1.688 -7.207 2.852 171 3HG2 THR 25 3HG2 THR 25 3.126 -6.183 3.073 172 H ASP 26 H ASP 26 0.422 -2.236 3.729 173 HA ASP 26 HA ASP 26 -0.901 -1.937 6.271 174 1HB ASP 26 1HB ASP 26 0.605 -0.277 5.255 175 2HB ASP 26 2HB ASP 26 -0.580 0.024 3.966 176 HD2 ASP 26 HD2 ASP 26 -1.103 2.713 6.226 177 H VAL 27 H VAL 27 -3.018 -1.160 6.493 178 HA VAL 27 HA VAL 27 -5.005 -1.920 4.408 179 HB VAL 27 HB VAL 27 -4.931 -3.115 7.211 180 1HG1 VAL 27 1HG1 VAL 27 -6.921 -3.268 4.912 181 2HG1 VAL 27 2HG1 VAL 27 -6.856 -4.507 6.183 182 3HG1 VAL 27 3HG1 VAL 27 -7.217 -2.822 6.594 183 1HG2 VAL 27 1HG2 VAL 27 -4.679 -5.291 5.974 184 2HG2 VAL 27 2HG2 VAL 27 -4.381 -4.362 4.490 185 3HG2 VAL 27 3HG2 VAL 27 -3.271 -4.240 5.867 186 H ARG 28 H ARG 28 -6.296 -0.186 4.245 187 HA ARG 28 HA ARG 28 -7.142 1.340 6.664 188 1HB ARG 28 1HB ARG 28 -5.658 2.549 4.309 189 2HB ARG 28 2HB ARG 28 -6.434 3.443 5.638 190 1HG ARG 28 1HG ARG 28 -4.977 2.427 7.289 191 2HG ARG 28 2HG ARG 28 -4.146 1.497 6.029 192 1HD ARG 28 1HD ARG 28 -2.927 3.476 6.741 193 2HD ARG 28 2HD ARG 28 -3.240 3.414 5.002 194 HE ARG 28 HE ARG 28 -4.373 5.256 7.048 195 1HH1 ARG 28 1HH1 ARG 28 -4.396 4.292 3.614 196 2HH1 ARG 28 2HH1 ARG 28 -5.000 5.832 3.070 197 1HH2 ARG 28 1HH2 ARG 28 -5.133 7.263 6.300 198 2HH2 ARG 28 2HH2 ARG 28 -5.427 7.521 4.600 199 H GLU 29 H GLU 29 -8.196 3.504 4.978 200 HA GLU 29 HA GLU 29 -10.534 2.233 3.811 201 1HB GLU 29 1HB GLU 29 -10.426 4.464 5.116 202 2HB GLU 29 2HB GLU 29 -9.770 5.172 3.639 203 1HG GLU 29 1HG GLU 29 -11.865 4.061 2.483 204 2HG GLU 29 2HG GLU 29 -12.444 3.784 4.124 205 HE2 GLU 29 HE2 GLU 29 -12.303 7.562 2.620 206 H LYS 30 H LYS 30 -10.013 4.705 1.671 207 HA LYS 30 HA LYS 30 -9.575 2.919 -0.455 208 1HB LYS 30 1HB LYS 30 -9.268 5.936 -0.412 209 2HB LYS 30 2HB LYS 30 -9.444 4.928 -1.845 210 1HG LYS 30 1HG LYS 30 -11.669 4.166 -1.102 211 2HG LYS 30 2HG LYS 30 -11.557 5.216 0.325 212 1HD LYS 30 1HD LYS 30 -11.368 7.202 -1.104 213 2HD LYS 30 2HD LYS 30 -11.427 6.185 -2.562 214 1HE LYS 30 1HE LYS 30 -13.690 5.401 -1.946 215 2HE LYS 30 2HE LYS 30 -13.636 6.366 -0.458 216 1HZ LYS 30 1HZ LYS 30 -14.834 7.485 -2.161 217 2HZ LYS 30 2HZ LYS 30 -13.456 8.327 -1.831 218 3HZ LYS 30 3HZ LYS 30 -13.557 7.414 -3.200 219 H CYS 31 H CYS 31 -7.940 3.182 -2.143 220 HA CYS 31 HA CYS 31 -5.341 2.678 -0.960 221 1HB CYS 31 1HB CYS 31 -5.971 2.429 -3.881 222 2HB CYS 31 2HB CYS 31 -4.910 1.476 -2.868 223 H HIS 32 H HIS 32 -3.367 3.669 -1.813 224 HA HIS 32 HA HIS 32 -3.803 6.509 -2.244 225 1HB HIS 32 1HB HIS 32 -1.499 6.809 -1.750 226 2HB HIS 32 2HB HIS 32 -2.271 5.846 -0.553 227 HD1 HIS 32 HD1 HIS 32 0.538 5.798 -3.020 228 HD2 HIS 32 HD2 HIS 32 -1.473 3.171 -0.437 229 HE1 HIS 32 HE1 HIS 32 2.013 3.743 -2.759 230 HE2 HIS 32 HE2 HIS 32 0.827 2.125 -1.159 231 H SER 33 H SER 33 -2.079 7.623 -3.518 232 HA SER 33 HA SER 33 -2.805 7.456 -6.201 233 1HB SER 33 1HB SER 33 -2.088 9.474 -5.055 234 2HB SER 33 2HB SER 33 -0.430 8.843 -4.964 235 HG SER 33 HG SER 33 -0.844 10.292 -6.739 236 H ALA 34 H ALA 34 -0.056 6.015 -4.596 237 HA ALA 34 HA ALA 34 0.992 4.934 -7.205 238 1HB ALA 34 1HB ALA 34 3.160 4.720 -6.153 239 2HB ALA 34 2HB ALA 34 2.599 6.398 -6.035 240 3HB ALA 34 3HB ALA 34 2.519 5.327 -4.617 241 H CYS 35 H CYS 35 -1.241 3.813 -6.133 242 HA CYS 35 HA CYS 35 -0.278 1.082 -5.641 243 1HB CYS 35 1HB CYS 35 -0.646 1.735 -3.434 244 2HB CYS 35 2HB CYS 35 -2.140 2.602 -3.810 245 H LYS 36 H LYS 36 -0.897 0.317 -7.521 246 HA LYS 36 HA LYS 36 -3.272 1.349 -8.925 247 1HB LYS 36 1HB LYS 36 -0.924 1.352 -9.838 248 2HB LYS 36 2HB LYS 36 -0.948 -0.407 -9.845 249 1HG LYS 36 1HG LYS 36 -2.768 -0.478 -11.443 250 2HG LYS 36 2HG LYS 36 -2.964 1.287 -11.373 251 1HD LYS 36 1HD LYS 36 -0.702 1.598 -12.290 252 2HD LYS 36 2HD LYS 36 -0.442 -0.158 -12.308 253 1HE LYS 36 1HE LYS 36 -2.280 -0.436 -13.936 254 2HE LYS 36 2HE LYS 36 -2.615 1.305 -13.878 255 1HZ LYS 36 1HZ LYS 36 -0.420 1.689 -14.744 256 2HZ LYS 36 2HZ LYS 36 -0.131 0.069 -14.837 257 3HZ LYS 36 3HZ LYS 36 -1.308 0.753 -15.766 258 H SER 37 H SER 37 -1.751 -1.579 -7.761 259 HA SER 37 HA SER 37 -4.223 -3.193 -8.277 260 1HB SER 37 1HB SER 37 -2.049 -4.131 -9.037 261 2HB SER 37 2HB SER 37 -1.485 -4.143 -7.357 262 HG SER 37 HG SER 37 -2.390 -6.139 -7.937 263 H CYS 38 H CYS 38 -5.542 -3.492 -6.623 264 HA CYS 38 HA CYS 38 -4.714 -3.339 -3.817 265 1HB CYS 38 1HB CYS 38 -5.062 -0.949 -4.712 266 2HB CYS 38 2HB CYS 38 -6.759 -1.379 -4.927 267 H LEU 39 H LEU 39 -6.258 -4.318 -2.482 268 HA LEU 39 HA LEU 39 -8.772 -5.318 -3.670 269 1HB LEU 39 1HB LEU 39 -7.062 -6.984 -4.271 270 2HB LEU 39 2HB LEU 39 -6.569 -7.104 -2.576 271 HG LEU 39 HG LEU 39 -8.752 -8.094 -1.997 272 1HD1 LEU 39 1HD1 LEU 39 -9.350 -7.897 -4.987 273 2HD1 LEU 39 2HD1 LEU 39 -10.299 -8.821 -3.806 274 3HD1 LEU 39 3HD1 LEU 39 -10.233 -7.062 -3.694 275 1HD2 LEU 39 1HD2 LEU 39 -7.446 -9.452 -4.394 276 2HD2 LEU 39 2HD2 LEU 39 -6.833 -9.519 -2.736 277 3HD2 LEU 39 3HD2 LEU 39 -8.406 -10.239 -3.126 278 H CYS 40 H CYS 40 -10.313 -5.723 -2.170 279 HA CYS 40 HA CYS 40 -9.682 -4.931 0.628 280 1HB CYS 40 1HB CYS 40 -12.368 -4.656 -0.702 281 2HB CYS 40 2HB CYS 40 -11.799 -3.826 0.737 282 H THR 41 H THR 41 -10.935 -5.767 2.306 283 HA THR 41 HA THR 41 -11.258 -8.679 1.887 284 HB THR 41 HB THR 41 -9.785 -7.912 3.680 285 HG1 THR 41 HG1 THR 41 -10.769 -9.885 3.894 286 1HG2 THR 41 1HG2 THR 41 -10.728 -7.015 5.765 287 2HG2 THR 41 2HG2 THR 41 -10.922 -5.876 4.430 288 3HG2 THR 41 3HG2 THR 41 -12.315 -6.820 4.994 289 H ARG 42 H ARG 42 -13.040 -9.835 2.721 290 HA ARG 42 HA ARG 42 -15.638 -8.449 2.531 291 1HB ARG 42 1HB ARG 42 -16.514 -10.751 2.447 292 2HB ARG 42 2HB ARG 42 -15.389 -10.376 1.137 293 1HG ARG 42 1HG ARG 42 -13.631 -11.641 2.107 294 2HG ARG 42 2HG ARG 42 -14.481 -11.802 3.658 295 1HD ARG 42 1HD ARG 42 -15.465 -12.945 1.006 296 2HD ARG 42 2HD ARG 42 -14.507 -13.870 2.162 297 HE ARG 42 HE ARG 42 -17.332 -13.199 2.312 298 1HH1 ARG 42 1HH1 ARG 42 -14.500 -14.055 4.281 299 2HH1 ARG 42 2HH1 ARG 42 -15.452 -14.604 5.635 300 1HH2 ARG 42 1HH2 ARG 42 -18.564 -13.904 4.108 301 2HH2 ARG 42 2HH2 ARG 42 -17.770 -14.515 5.535 302 H SER 43 H SER 43 -13.573 -8.502 4.982 303 HA SER 43 HA SER 43 -15.107 -9.663 7.094 304 1HB SER 43 1HB SER 43 -12.907 -7.560 7.233 305 2HB SER 43 2HB SER 43 -13.440 -8.664 8.504 306 HG SER 43 HG SER 43 -12.129 -9.353 6.091 307 H PHE 44 H PHE 44 -15.495 -8.016 9.036 308 HA PHE 44 HA PHE 44 -16.840 -5.548 8.074 309 1HB PHE 44 1HB PHE 44 -18.512 -7.233 8.574 310 2HB PHE 44 2HB PHE 44 -17.838 -7.464 10.184 311 HD1 PHE 44 HD1 PHE 44 -18.525 -6.049 11.993 312 HD2 PHE 44 HD2 PHE 44 -19.428 -4.913 7.930 313 HE1 PHE 44 HE1 PHE 44 -19.958 -4.204 12.823 314 HE2 PHE 44 HE2 PHE 44 -20.838 -3.052 8.769 315 HZ PHE 44 HZ PHE 44 -21.105 -2.696 11.214 316 HA PRO 45 HA PRO 45 -16.647 -3.438 8.450 317 1HB PRO 45 1HB PRO 45 -14.837 -1.415 8.380 318 2HB PRO 45 2HB PRO 45 -16.068 -1.589 9.664 319 1HG PRO 45 1HG PRO 45 -13.171 -2.469 9.752 320 2HG PRO 45 2HG PRO 45 -14.068 -1.518 10.973 321 1HD PRO 45 1HD PRO 45 -13.744 -4.226 11.201 322 2HD PRO 45 2HD PRO 45 -15.254 -3.426 11.721 323 HA PRO 46 HA PRO 46 -13.885 -4.978 5.188 324 1HB PRO 46 1HB PRO 46 -15.005 -3.869 2.982 325 2HB PRO 46 2HB PRO 46 -15.820 -5.139 3.938 326 1HG PRO 46 1HG PRO 46 -16.279 -2.145 4.100 327 2HG PRO 46 2HG PRO 46 -17.497 -3.443 3.967 328 1HD PRO 46 1HD PRO 46 -16.762 -2.320 6.371 329 2HD PRO 46 2HD PRO 46 -17.242 -4.037 6.222 330 H GLN 47 H GLN 47 -11.837 -4.193 4.997 331 HA GLN 47 HA GLN 47 -11.344 -1.320 4.366 332 1HB GLN 47 1HB GLN 47 -9.838 -3.361 6.056 333 2HB GLN 47 2HB GLN 47 -9.166 -1.809 5.574 334 1HG GLN 47 1HG GLN 47 -11.682 -2.184 7.267 335 2HG GLN 47 2HG GLN 47 -10.068 -1.858 7.898 336 1HE2 GLN 47 1HE2 GLN 47 -12.771 -0.500 6.010 337 2HE2 GLN 47 2HE2 GLN 47 -12.262 1.167 6.176 338 H CYS 48 H CYS 48 -9.462 -0.907 3.068 339 HA CYS 48 HA CYS 48 -9.027 -3.072 1.102 340 1HB CYS 48 1HB CYS 48 -8.896 -0.109 0.737 341 2HB CYS 48 2HB CYS 48 -8.579 -1.325 -0.479 342 H ARG 49 H ARG 49 -7.111 -3.545 0.362 343 HA ARG 49 HA ARG 49 -4.755 -2.862 2.050 344 1HB ARG 49 1HB ARG 49 -5.170 -5.535 0.801 345 2HB ARG 49 2HB ARG 49 -4.267 -5.104 2.248 346 1HG ARG 49 1HG ARG 49 -6.498 -4.714 3.389 347 2HG ARG 49 2HG ARG 49 -7.315 -5.287 1.939 348 1HD ARG 49 1HD ARG 49 -5.401 -6.813 3.715 349 2HD ARG 49 2HD ARG 49 -7.142 -7.091 3.555 350 HE ARG 49 HE ARG 49 -5.020 -8.137 1.928 351 1HH1 ARG 49 1HH1 ARG 49 -8.372 -6.994 1.581 352 2HH1 ARG 49 2HH1 ARG 49 -8.674 -7.961 0.161 353 1HH2 ARG 49 1HH2 ARG 49 -5.421 -9.328 0.051 354 2HH2 ARG 49 2HH2 ARG 49 -6.993 -9.293 -0.707 355 H CYS 50 H CYS 50 -2.911 -2.355 0.764 356 HA CYS 50 HA CYS 50 -3.275 -2.223 -2.122 357 1HB CYS 50 1HB CYS 50 -1.182 -1.323 -0.151 358 2HB CYS 50 2HB CYS 50 -0.755 -1.479 -1.851 359 H TYR 51 H TYR 51 -2.445 -3.481 -3.650 360 HA TYR 51 HA TYR 51 -0.931 -5.935 -2.872 361 1HB TYR 51 1HB TYR 51 -3.539 -5.663 -3.961 362 2HB TYR 51 2HB TYR 51 -2.545 -6.053 -5.337 363 HD1 TYR 51 HD1 TYR 51 -3.894 -7.210 -2.117 364 HD2 TYR 51 HD2 TYR 51 -1.402 -8.258 -5.477 365 HE1 TYR 51 HE1 TYR 51 -4.103 -9.615 -1.533 366 HE2 TYR 51 HE2 TYR 51 -1.633 -10.656 -4.899 367 HH TYR 51 HH TYR 51 -2.569 -12.203 -3.450 368 H ASP 52 H ASP 52 -0.224 -3.066 -3.907 369 HA ASP 52 HA ASP 52 0.559 -3.426 -6.647 370 1HB ASP 52 1HB ASP 52 -0.345 -1.334 -5.588 371 2HB ASP 52 2HB ASP 52 1.184 -1.156 -4.713 372 HD2 ASP 52 HD2 ASP 52 2.840 0.147 -7.481 373 H ILE 53 H ILE 53 2.641 -3.252 -7.508 374 HA ILE 53 HA ILE 53 4.944 -3.847 -5.704 375 HB ILE 53 HB ILE 53 4.448 -4.693 -8.586 376 1HG1 ILE 53 1HG1 ILE 53 3.169 -6.101 -7.040 377 2HG1 ILE 53 2HG1 ILE 53 4.479 -6.978 -7.826 378 1HG2 ILE 53 1HG2 ILE 53 6.635 -5.971 -8.234 379 2HG2 ILE 53 2HG2 ILE 53 6.776 -4.218 -8.402 380 3HG2 ILE 53 3HG2 ILE 53 6.875 -4.950 -6.796 381 1HD1 ILE 53 1HD1 ILE 53 4.478 -5.965 -4.951 382 2HD1 ILE 53 2HD1 ILE 53 4.326 -7.640 -5.501 383 3HD1 ILE 53 3HD1 ILE 53 5.852 -6.779 -5.741 384 H THR 54 H THR 54 6.508 -2.371 -5.749 385 HA THR 54 HA THR 54 7.162 -1.034 -8.281 386 HB THR 54 HB THR 54 7.886 1.028 -6.875 387 HG1 THR 54 HG1 THR 54 7.477 0.217 -4.830 388 1HG2 THR 54 1HG2 THR 54 6.094 1.154 -8.537 389 2HG2 THR 54 2HG2 THR 54 4.918 0.605 -7.321 390 3HG2 THR 54 3HG2 THR 54 5.752 2.155 -7.114 391 H ASP 55 H ASP 55 9.548 -0.078 -7.852 392 HA ASP 55 HA ASP 55 11.087 -2.285 -6.693 393 1HB ASP 55 1HB ASP 55 11.693 -0.983 -8.815 394 2HB ASP 55 2HB ASP 55 12.166 0.344 -7.742 395 HD2 ASP 55 HD2 ASP 55 14.270 -3.159 -7.791 396 H PHE 56 H PHE 56 9.761 0.726 -5.641 397 HA PHE 56 HA PHE 56 11.599 0.973 -3.302 398 1HB PHE 56 1HB PHE 56 11.045 3.431 -3.540 399 2HB PHE 56 2HB PHE 56 11.996 2.735 -4.822 400 HD1 PHE 56 HD1 PHE 56 11.103 2.564 -7.111 401 HD2 PHE 56 HD2 PHE 56 8.626 4.015 -3.891 402 HE1 PHE 56 HE1 PHE 56 9.382 3.275 -8.748 403 HE2 PHE 56 HE2 PHE 56 6.928 4.753 -5.535 404 HZ PHE 56 HZ PHE 56 7.297 4.377 -7.964 405 H CYS 57 H CYS 57 10.590 2.450 -1.630 406 HA CYS 57 HA CYS 57 7.818 1.581 -0.973 407 1HB CYS 57 1HB CYS 57 10.306 2.196 0.643 408 2HB CYS 57 2HB CYS 57 8.721 2.411 1.354 409 H TYR 58 H TYR 58 6.484 3.076 0.068 410 HA TYR 58 HA TYR 58 6.723 5.847 -0.894 411 1HB TYR 58 1HB TYR 58 4.299 4.614 0.392 412 2HB TYR 58 2HB TYR 58 4.382 5.808 -0.891 413 HD1 TYR 58 HD1 TYR 58 3.705 2.428 -0.129 414 HD2 TYR 58 HD2 TYR 58 5.405 4.899 -3.219 415 HE1 TYR 58 HE1 TYR 58 3.389 0.595 -1.755 416 HE2 TYR 58 HE2 TYR 58 5.160 3.026 -4.831 417 HH TYR 58 HH TYR 58 4.751 0.701 -5.015 418 HA PRO 59 HA PRO 59 7.446 7.204 3.290 419 1HB PRO 59 1HB PRO 59 6.144 9.625 3.489 420 2HB PRO 59 2HB PRO 59 7.598 9.359 2.488 421 1HG PRO 59 1HG PRO 59 4.702 9.292 1.615 422 2HG PRO 59 2HG PRO 59 6.050 10.191 0.856 423 1HD PRO 59 1HD PRO 59 5.259 7.785 -0.114 424 2HD PRO 59 2HD PRO 59 6.996 8.191 -0.029 425 H SER 60 H SER 60 6.270 8.058 5.398 426 HA SER 60 HA SER 60 4.466 6.071 6.147 427 1HB SER 60 1HB SER 60 4.264 7.567 8.210 428 2HB SER 60 2HB SER 60 5.806 6.827 7.799 429 HG SER 60 HG SER 60 5.989 9.074 8.319 430 H CYS 61 H CYS 61 2.378 6.100 6.685 431 HA CYS 61 HA CYS 61 0.653 8.142 5.362 432 1HB CYS 61 1HB CYS 61 0.898 5.455 4.881 433 2HB CYS 61 2HB CYS 61 -0.438 5.423 5.982 434 H SER 62 H SER 62 -1.704 7.809 6.153 435 HA SER 62 HA SER 62 -3.271 8.263 7.695 436 1HB SER 62 1HB SER 62 -2.650 6.001 8.534 437 2HB SER 62 2HB SER 62 -1.490 6.743 9.647 438 HG SER 62 HG SER 62 -3.234 7.917 10.531 Start of MODEL 9 1 1H THR 1 1H THR 1 2.293 27.427 5.571 2 2H THR 1 2H THR 1 3.128 26.004 5.487 3 3H THR 1 3H THR 1 3.011 26.964 4.157 4 HA THR 1 HA THR 1 0.843 25.553 5.479 5 HB THR 1 HB THR 1 -0.106 27.549 4.755 6 HG1 THR 1 HG1 THR 1 -1.300 25.724 4.234 7 1HG2 THR 1 1HG2 THR 1 1.189 27.103 2.039 8 2HG2 THR 1 2HG2 THR 1 0.019 28.370 2.459 9 3HG2 THR 1 3HG2 THR 1 1.620 28.367 3.221 10 H LYS 2 H LYS 2 0.614 23.471 4.862 11 HA LYS 2 HA LYS 2 1.086 22.535 2.209 12 1HB LYS 2 1HB LYS 2 3.469 22.663 2.951 13 2HB LYS 2 2HB LYS 2 3.077 21.636 4.340 14 1HG LYS 2 1HG LYS 2 2.526 19.769 2.845 15 2HG LYS 2 2HG LYS 2 2.628 20.831 1.432 16 1HD LYS 2 1HD LYS 2 4.606 19.460 1.551 17 2HD LYS 2 2HD LYS 2 5.045 21.156 1.808 18 1HE LYS 2 1HE LYS 2 5.188 20.741 4.263 19 2HE LYS 2 2HE LYS 2 4.683 19.059 4.004 20 1HZ LYS 2 1HZ LYS 2 7.025 19.226 4.226 21 2HZ LYS 2 2HZ LYS 2 6.672 18.767 2.684 22 3HZ LYS 2 3HZ LYS 2 7.136 20.318 2.997 23 H SER 3 H SER 3 -0.594 21.144 2.053 24 HA SER 3 HA SER 3 -1.030 19.069 4.087 25 1HB SER 3 1HB SER 3 -3.213 21.051 3.287 26 2HB SER 3 2HB SER 3 -3.443 19.578 4.248 27 HG SER 3 HG SER 3 -1.757 20.574 5.662 28 H THR 4 H THR 4 -1.341 17.206 3.000 29 HA THR 4 HA THR 4 -2.866 16.990 0.575 30 HB THR 4 HB THR 4 -0.794 17.998 -0.355 31 HG1 THR 4 HG1 THR 4 -1.868 16.560 -1.625 32 1HG2 THR 4 1HG2 THR 4 0.860 17.250 1.313 33 2HG2 THR 4 2HG2 THR 4 0.640 15.565 0.798 34 3HG2 THR 4 3HG2 THR 4 1.323 16.759 -0.322 35 H THR 5 H THR 5 -2.254 14.631 -0.356 36 HA THR 5 HA THR 5 -1.528 12.689 1.686 37 HB THR 5 HB THR 5 -3.781 12.992 2.382 38 HG1 THR 5 HG1 THR 5 -3.003 10.872 2.243 39 1HG2 THR 5 1HG2 THR 5 -5.737 12.630 0.960 40 2HG2 THR 5 2HG2 THR 5 -4.816 14.037 0.410 41 3HG2 THR 5 3HG2 THR 5 -4.721 12.507 -0.480 42 H THR 6 H THR 6 0.099 12.901 -0.061 43 HA THR 6 HA THR 6 -0.411 11.892 -2.708 44 HB THR 6 HB THR 6 2.016 12.011 -2.915 45 HG1 THR 6 HG1 THR 6 1.986 12.559 -0.132 46 1HG2 THR 6 1HG2 THR 6 0.985 14.419 -1.374 47 2HG2 THR 6 2HG2 THR 6 2.351 14.368 -2.498 48 3HG2 THR 6 3HG2 THR 6 0.702 14.104 -3.100 49 H ALA 7 H ALA 7 1.224 10.129 -3.468 50 HA ALA 7 HA ALA 7 0.462 7.567 -2.610 51 1HB ALA 7 1HB ALA 7 2.441 6.782 -3.834 52 2HB ALA 7 2HB ALA 7 1.512 7.983 -4.764 53 3HB ALA 7 3HB ALA 7 3.031 8.454 -3.968 54 H CYS 8 H CYS 8 0.816 6.540 -0.774 55 HA CYS 8 HA CYS 8 3.334 6.839 0.771 56 1HB CYS 8 1HB CYS 8 2.208 7.367 2.761 57 2HB CYS 8 2HB CYS 8 1.693 8.545 1.593 58 H CYS 9 H CYS 9 3.005 5.475 2.754 59 HA CYS 9 HA CYS 9 1.271 3.230 2.837 60 1HB CYS 9 1HB CYS 9 2.767 2.501 0.943 61 2HB CYS 9 2HB CYS 9 4.152 2.618 2.023 62 H ASP 10 H ASP 10 1.728 1.990 4.873 63 HA ASP 10 HA ASP 10 3.317 3.623 6.792 64 1HB ASP 10 1HB ASP 10 0.915 1.788 7.039 65 2HB ASP 10 2HB ASP 10 1.847 2.365 8.422 66 HD2 ASP 10 HD2 ASP 10 0.741 5.693 8.186 67 H PHE 11 H PHE 11 2.406 0.127 6.427 68 HA PHE 11 HA PHE 11 5.173 -0.637 7.266 69 1HB PHE 11 1HB PHE 11 2.716 -2.345 6.921 70 2HB PHE 11 2HB PHE 11 4.251 -2.816 7.639 71 HD1 PHE 11 HD1 PHE 11 4.436 -0.167 9.425 72 HD2 PHE 11 HD2 PHE 11 1.421 -3.182 8.738 73 HE1 PHE 11 HE1 PHE 11 3.395 0.370 11.589 74 HE2 PHE 11 HE2 PHE 11 0.390 -2.649 10.906 75 HZ PHE 11 HZ PHE 11 1.347 -0.838 12.338 76 H CYS 12 H CYS 12 6.464 -0.816 5.497 77 HA CYS 12 HA CYS 12 5.347 -2.127 3.062 78 1HB CYS 12 1HB CYS 12 5.531 0.353 2.838 79 2HB CYS 12 2HB CYS 12 7.275 0.184 2.925 80 HA PRO 13 HA PRO 13 9.274 -4.294 4.201 81 1HB PRO 13 1HB PRO 13 8.356 -6.868 4.140 82 2HB PRO 13 2HB PRO 13 8.190 -5.810 5.571 83 1HG PRO 13 1HG PRO 13 6.118 -6.327 3.420 84 2HG PRO 13 2HG PRO 13 5.911 -6.427 5.197 85 1HD PRO 13 1HD PRO 13 5.198 -4.209 3.808 86 2HD PRO 13 2HD PRO 13 5.950 -4.067 5.417 87 H CYS 14 H CYS 14 10.556 -5.633 2.794 88 HA CYS 14 HA CYS 14 9.571 -6.001 0.037 89 1HB CYS 14 1HB CYS 14 12.271 -4.815 0.784 90 2HB CYS 14 2HB CYS 14 11.603 -4.989 -0.830 91 H THR 15 H THR 15 10.830 -7.444 -1.230 92 HA THR 15 HA THR 15 12.178 -9.582 0.291 93 HB THR 15 HB THR 15 12.283 -10.660 -1.932 94 HG1 THR 15 HG1 THR 15 12.380 -9.049 -3.365 95 1HG2 THR 15 1HG2 THR 15 9.490 -9.602 -1.307 96 2HG2 THR 15 2HG2 THR 15 9.893 -11.049 -2.250 97 3HG2 THR 15 3HG2 THR 15 10.271 -10.992 -0.518 98 H ARG 16 H ARG 16 14.350 -10.225 -0.376 99 HA ARG 16 HA ARG 16 16.070 -7.924 -1.238 100 1HB ARG 16 1HB ARG 16 16.758 -10.418 0.344 101 2HB ARG 16 2HB ARG 16 17.855 -9.090 -0.091 102 1HG ARG 16 1HG ARG 16 16.370 -7.501 1.189 103 2HG ARG 16 2HG ARG 16 15.428 -8.892 1.755 104 1HD ARG 16 1HD ARG 16 18.393 -8.391 2.238 105 2HD ARG 16 2HD ARG 16 17.085 -8.216 3.426 106 HE ARG 16 HE ARG 16 16.934 -10.841 2.424 107 1HH1 ARG 16 1HH1 ARG 16 19.226 -8.893 4.304 108 2HH1 ARG 16 2HH1 ARG 16 19.881 -10.264 5.163 109 1HH2 ARG 16 1HH2 ARG 16 17.813 -12.633 3.538 110 2HH2 ARG 16 2HH2 ARG 16 19.071 -12.402 4.725 111 H SER 17 H SER 17 14.492 -9.668 -3.032 112 HA SER 17 HA SER 17 16.345 -11.399 -4.435 113 1HB SER 17 1HB SER 17 14.356 -11.211 -6.122 114 2HB SER 17 2HB SER 17 14.094 -12.002 -4.570 115 HG SER 17 HG SER 17 12.445 -10.521 -4.944 116 H ILE 18 H ILE 18 16.381 -10.900 -6.891 117 HA ILE 18 HA ILE 18 17.276 -8.092 -7.356 118 HB ILE 18 HB ILE 18 18.606 -10.630 -8.218 119 1HG1 ILE 18 1HG1 ILE 18 19.164 -9.933 -5.907 120 2HG1 ILE 18 2HG1 ILE 18 20.539 -9.860 -7.005 121 1HG2 ILE 18 1HG2 ILE 18 18.742 -9.184 -10.121 122 2HG2 ILE 18 2HG2 ILE 18 19.139 -7.779 -9.120 123 3HG2 ILE 18 3HG2 ILE 18 20.301 -9.112 -9.305 124 1HD1 ILE 18 1HD1 ILE 18 20.516 -7.926 -5.524 125 2HD1 ILE 18 2HD1 ILE 18 20.287 -7.397 -7.194 126 3HD1 ILE 18 3HD1 ILE 18 18.908 -7.448 -6.075 127 HA PRO 19 HA PRO 19 16.344 -6.508 -8.253 128 1HB PRO 19 1HB PRO 19 14.037 -5.240 -8.968 129 2HB PRO 19 2HB PRO 19 15.404 -5.457 -10.099 130 1HG PRO 19 1HG PRO 19 12.923 -7.186 -9.847 131 2HG PRO 19 2HG PRO 19 13.607 -6.462 -11.335 132 1HD PRO 19 1HD PRO 19 14.142 -9.038 -10.587 133 2HD PRO 19 2HD PRO 19 15.394 -8.025 -11.364 134 HA PRO 20 HA PRO 20 13.713 -7.486 -4.684 135 1HB PRO 20 1HB PRO 20 13.580 -5.155 -3.338 136 2HB PRO 20 2HB PRO 20 15.122 -6.034 -3.561 137 1HG PRO 20 1HG PRO 20 14.071 -3.724 -5.232 138 2HG PRO 20 2HG PRO 20 15.674 -3.851 -4.450 139 1HD PRO 20 1HD PRO 20 15.294 -4.530 -7.060 140 2HD PRO 20 2HD PRO 20 16.401 -5.477 -6.022 141 H GLN 21 H GLN 21 11.541 -7.363 -3.974 142 HA GLN 21 HA GLN 21 9.664 -5.605 -5.492 143 1HB GLN 21 1HB GLN 21 9.449 -8.516 -4.625 144 2HB GLN 21 2HB GLN 21 8.069 -7.522 -5.058 145 1HG GLN 21 1HG GLN 21 8.396 -7.921 -7.240 146 2HG GLN 21 2HG GLN 21 10.005 -7.207 -7.175 147 1HE2 GLN 21 1HE2 GLN 21 11.852 -8.618 -6.673 148 2HE2 GLN 21 2HE2 GLN 21 11.727 -10.334 -6.973 149 H CYS 22 H CYS 22 8.821 -4.173 -4.166 150 HA CYS 22 HA CYS 22 8.562 -4.708 -1.250 151 1HB CYS 22 1HB CYS 22 8.479 -2.133 -2.800 152 2HB CYS 22 2HB CYS 22 8.276 -2.286 -1.064 153 H GLN 23 H GLN 23 6.645 -4.589 -0.298 154 HA GLN 23 HA GLN 23 4.238 -3.711 -1.747 155 1HB GLN 23 1HB GLN 23 5.013 -6.434 -1.510 156 2HB GLN 23 2HB GLN 23 3.828 -6.234 -0.220 157 1HG GLN 23 1HG GLN 23 3.453 -5.311 -3.085 158 2HG GLN 23 2HG GLN 23 3.008 -6.922 -2.502 159 1HE2 GLN 23 1HE2 GLN 23 1.285 -7.062 -0.816 160 2HE2 GLN 23 2HE2 GLN 23 0.083 -5.790 -0.726 161 H CYS 24 H CYS 24 2.371 -3.530 -0.345 162 HA CYS 24 HA CYS 24 3.133 -2.464 2.311 163 1HB CYS 24 1HB CYS 24 0.841 -2.005 0.393 164 2HB CYS 24 2HB CYS 24 0.849 -1.375 2.044 165 H THR 25 H THR 25 2.423 -3.372 4.122 166 HA THR 25 HA THR 25 0.516 -5.664 3.977 167 HB THR 25 HB THR 25 1.558 -6.341 6.117 168 HG1 THR 25 HG1 THR 25 2.400 -4.447 6.881 169 1HG2 THR 25 1HG2 THR 25 2.334 -7.211 3.923 170 2HG2 THR 25 2HG2 THR 25 3.547 -5.914 3.850 171 3HG2 THR 25 3HG2 THR 25 3.629 -7.140 5.138 172 H ASP 26 H ASP 26 1.025 -2.444 5.382 173 HA ASP 26 HA ASP 26 -0.887 -2.682 7.465 174 1HB ASP 26 1HB ASP 26 0.670 -0.812 7.333 175 2HB ASP 26 2HB ASP 26 -0.144 -0.214 5.864 176 HD2 ASP 26 HD2 ASP 26 -2.714 1.302 7.651 177 H VAL 27 H VAL 27 -2.971 -2.102 7.537 178 HA VAL 27 HA VAL 27 -4.562 -2.134 5.003 179 HB VAL 27 HB VAL 27 -5.421 -3.427 7.616 180 1HG1 VAL 27 1HG1 VAL 27 -7.091 -4.513 6.181 181 2HG1 VAL 27 2HG1 VAL 27 -7.164 -2.759 5.937 182 3HG1 VAL 27 3HG1 VAL 27 -6.371 -3.786 4.733 183 1HG2 VAL 27 1HG2 VAL 27 -4.954 -5.626 6.536 184 2HG2 VAL 27 2HG2 VAL 27 -4.106 -4.793 5.223 185 3HG2 VAL 27 3HG2 VAL 27 -3.475 -4.728 6.884 186 H ARG 28 H ARG 28 -6.332 -0.702 4.991 187 HA ARG 28 HA ARG 28 -6.901 1.055 7.263 188 1HB ARG 28 1HB ARG 28 -4.647 1.608 5.619 189 2HB ARG 28 2HB ARG 28 -5.855 2.722 5.047 190 1HG ARG 28 1HG ARG 28 -5.047 2.311 7.971 191 2HG ARG 28 2HG ARG 28 -4.336 3.520 6.910 192 1HD ARG 28 1HD ARG 28 -7.291 3.407 7.669 193 2HD ARG 28 2HD ARG 28 -6.094 4.433 8.452 194 HE ARG 28 HE ARG 28 -7.425 4.884 5.934 195 1HH1 ARG 28 1HH1 ARG 28 -4.450 5.679 7.733 196 2HH1 ARG 28 2HH1 ARG 28 -4.117 7.100 6.781 197 1HH2 ARG 28 1HH2 ARG 28 -6.946 6.672 4.675 198 2HH2 ARG 28 2HH2 ARG 28 -5.545 7.660 5.018 199 H GLU 29 H GLU 29 -7.833 3.173 5.405 200 HA GLU 29 HA GLU 29 -10.138 1.922 4.163 201 1HB GLU 29 1HB GLU 29 -9.781 4.323 5.298 202 2HB GLU 29 2HB GLU 29 -9.199 4.770 3.702 203 1HG GLU 29 1HG GLU 29 -11.540 5.280 3.952 204 2HG GLU 29 2HG GLU 29 -11.400 3.961 2.774 205 HE2 GLU 29 HE2 GLU 29 -13.378 1.799 4.611 206 H LYS 30 H LYS 30 -9.767 3.830 1.766 207 HA LYS 30 HA LYS 30 -8.897 1.760 0.074 208 1HB LYS 30 1HB LYS 30 -9.186 4.689 -0.620 209 2HB LYS 30 2HB LYS 30 -9.162 3.326 -1.733 210 1HG LYS 30 1HG LYS 30 -11.215 2.396 -0.634 211 2HG LYS 30 2HG LYS 30 -11.321 3.879 0.339 212 1HD LYS 30 1HD LYS 30 -11.443 5.239 -1.728 213 2HD LYS 30 2HD LYS 30 -11.348 3.759 -2.706 214 1HE LYS 30 1HE LYS 30 -13.442 2.930 -1.708 215 2HE LYS 30 2HE LYS 30 -13.541 4.365 -0.669 216 1HZ LYS 30 1HZ LYS 30 -13.787 5.710 -2.588 217 2HZ LYS 30 2HZ LYS 30 -13.573 4.430 -3.606 218 3HZ LYS 30 3HZ LYS 30 -14.909 4.505 -2.645 219 H CYS 31 H CYS 31 -7.318 1.853 -1.547 220 HA CYS 31 HA CYS 31 -4.636 2.229 -0.637 221 1HB CYS 31 1HB CYS 31 -4.126 1.560 -3.008 222 2HB CYS 31 2HB CYS 31 -5.056 0.430 -2.054 223 H HIS 32 H HIS 32 -3.015 3.386 -1.877 224 HA HIS 32 HA HIS 32 -3.761 6.179 -1.977 225 1HB HIS 32 1HB HIS 32 -1.387 6.610 -2.077 226 2HB HIS 32 2HB HIS 32 -1.807 5.540 -0.788 227 HD1 HIS 32 HD1 HIS 32 0.306 5.741 -3.878 228 HD2 HIS 32 HD2 HIS 32 -0.971 2.882 -1.083 229 HE1 HIS 32 HE1 HIS 32 1.771 3.675 -4.197 230 HE2 HIS 32 HE2 HIS 32 1.010 1.911 -2.505 231 H SER 33 H SER 33 -2.535 7.564 -3.508 232 HA SER 33 HA SER 33 -3.875 7.518 -5.940 233 1HB SER 33 1HB SER 33 -2.964 9.521 -4.772 234 2HB SER 33 2HB SER 33 -1.347 9.040 -5.325 235 HG SER 33 HG SER 33 -2.253 9.129 -7.492 236 H ALA 34 H ALA 34 -0.714 6.224 -5.191 237 HA ALA 34 HA ALA 34 -0.190 5.585 -8.081 238 1HB ALA 34 1HB ALA 34 2.154 5.410 -7.476 239 2HB ALA 34 2HB ALA 34 1.528 7.000 -7.010 240 3HB ALA 34 3HB ALA 34 1.776 5.737 -5.777 241 H CYS 35 H CYS 35 -2.080 4.058 -6.657 242 HA CYS 35 HA CYS 35 -0.661 1.437 -6.497 243 1HB CYS 35 1HB CYS 35 -1.735 2.201 -4.352 244 2HB CYS 35 2HB CYS 35 -3.291 2.170 -5.196 245 H LYS 36 H LYS 36 -1.199 0.034 -8.080 246 HA LYS 36 HA LYS 36 -3.264 0.868 -10.027 247 1HB LYS 36 1HB LYS 36 -0.737 0.516 -10.512 248 2HB LYS 36 2HB LYS 36 -1.095 -1.209 -10.478 249 1HG LYS 36 1HG LYS 36 -2.749 -0.949 -12.276 250 2HG LYS 36 2HG LYS 36 -2.589 0.819 -12.196 251 1HD LYS 36 1HD LYS 36 -0.200 0.635 -12.878 252 2HD LYS 36 2HD LYS 36 -0.380 -1.124 -12.990 253 1HE LYS 36 1HE LYS 36 -0.530 -0.131 -15.211 254 2HE LYS 36 2HE LYS 36 -2.094 -0.836 -14.773 255 1HZ LYS 36 1HZ LYS 36 -1.379 2.013 -14.601 256 2HZ LYS 36 2HZ LYS 36 -2.309 1.317 -15.771 257 3HZ LYS 36 3HZ LYS 36 -2.847 1.368 -14.216 258 H SER 37 H SER 37 -2.012 -2.069 -8.403 259 HA SER 37 HA SER 37 -4.593 -3.476 -8.754 260 1HB SER 37 1HB SER 37 -3.122 -5.312 -7.778 261 2HB SER 37 2HB SER 37 -2.761 -4.814 -9.432 262 HG SER 37 HG SER 37 -1.029 -3.633 -8.662 263 H CYS 38 H CYS 38 -5.911 -3.521 -7.029 264 HA CYS 38 HA CYS 38 -4.981 -2.840 -4.298 265 1HB CYS 38 1HB CYS 38 -5.331 -0.746 -5.461 266 2HB CYS 38 2HB CYS 38 -6.889 -1.281 -6.083 267 H LEU 39 H LEU 39 -6.361 -3.622 -2.714 268 HA LEU 39 HA LEU 39 -8.634 -5.334 -3.569 269 1HB LEU 39 1HB LEU 39 -5.932 -6.218 -2.970 270 2HB LEU 39 2HB LEU 39 -6.945 -6.694 -1.624 271 HG LEU 39 HG LEU 39 -6.745 -8.469 -3.216 272 1HD1 LEU 39 1HD1 LEU 39 -8.888 -8.247 -1.989 273 2HD1 LEU 39 2HD1 LEU 39 -9.588 -7.379 -3.373 274 3HD1 LEU 39 3HD1 LEU 39 -9.069 -9.060 -3.553 275 1HD2 LEU 39 1HD2 LEU 39 -8.100 -6.739 -5.320 276 2HD2 LEU 39 2HD2 LEU 39 -6.353 -7.058 -5.248 277 3HD2 LEU 39 3HD2 LEU 39 -7.497 -8.392 -5.496 278 H CYS 40 H CYS 40 -9.972 -6.042 -1.797 279 HA CYS 40 HA CYS 40 -9.492 -4.810 0.823 280 1HB CYS 40 1HB CYS 40 -12.166 -4.683 -0.606 281 2HB CYS 40 2HB CYS 40 -11.783 -3.998 0.966 282 H THR 41 H THR 41 -10.886 -5.732 2.482 283 HA THR 41 HA THR 41 -10.990 -8.652 2.151 284 HB THR 41 HB THR 41 -11.394 -8.592 4.604 285 HG1 THR 41 HG1 THR 41 -12.354 -6.619 4.853 286 1HG2 THR 41 1HG2 THR 41 -9.154 -7.859 5.224 287 2HG2 THR 41 2HG2 THR 41 -9.112 -8.758 3.694 288 3HG2 THR 41 3HG2 THR 41 -8.981 -6.982 3.686 289 H ARG 42 H ARG 42 -12.798 -9.898 2.619 290 HA ARG 42 HA ARG 42 -15.383 -8.669 1.973 291 1HB ARG 42 1HB ARG 42 -16.167 -10.894 1.704 292 2HB ARG 42 2HB ARG 42 -14.631 -10.718 0.844 293 1HG ARG 42 1HG ARG 42 -13.459 -11.884 2.673 294 2HG ARG 42 2HG ARG 42 -14.985 -12.010 3.583 295 1HD ARG 42 1HD ARG 42 -15.977 -13.303 1.715 296 2HD ARG 42 2HD ARG 42 -14.414 -13.256 0.864 297 HE ARG 42 HE ARG 42 -13.857 -14.271 3.396 298 1HH1 ARG 42 1HH1 ARG 42 -15.906 -15.241 0.660 299 2HH1 ARG 42 2HH1 ARG 42 -15.821 -16.942 1.038 300 1HH2 ARG 42 1HH2 ARG 42 -13.751 -16.511 3.873 301 2HH2 ARG 42 2HH2 ARG 42 -14.587 -17.665 2.868 302 H SER 43 H SER 43 -13.803 -8.583 4.787 303 HA SER 43 HA SER 43 -15.625 -9.729 6.655 304 1HB SER 43 1HB SER 43 -14.253 -8.189 8.209 305 2HB SER 43 2HB SER 43 -13.383 -9.428 7.322 306 HG SER 43 HG SER 43 -12.450 -7.268 7.235 307 H PHE 44 H PHE 44 -16.381 -8.151 8.410 308 HA PHE 44 HA PHE 44 -17.562 -5.669 7.291 309 1HB PHE 44 1HB PHE 44 -19.287 -7.440 7.374 310 2HB PHE 44 2HB PHE 44 -19.112 -7.495 9.125 311 HD1 PHE 44 HD1 PHE 44 -19.739 -5.462 10.510 312 HD2 PHE 44 HD2 PHE 44 -20.394 -5.613 6.247 313 HE1 PHE 44 HE1 PHE 44 -21.140 -3.422 10.648 314 HE2 PHE 44 HE2 PHE 44 -21.821 -3.593 6.399 315 HZ PHE 44 HZ PHE 44 -22.168 -2.472 8.593 316 HA PRO 45 HA PRO 45 -17.410 -3.563 7.787 317 1HB PRO 45 1HB PRO 45 -15.500 -1.660 8.179 318 2HB PRO 45 2HB PRO 45 -16.988 -1.781 9.159 319 1HG PRO 45 1HG PRO 45 -14.255 -2.908 9.845 320 2HG PRO 45 2HG PRO 45 -15.294 -1.868 10.864 321 1HD PRO 45 1HD PRO 45 -15.303 -4.572 11.132 322 2HD PRO 45 2HD PRO 45 -16.832 -3.656 11.239 323 HA PRO 46 HA PRO 46 -14.174 -5.277 5.091 324 1HB PRO 46 1HB PRO 46 -14.717 -4.019 2.748 325 2HB PRO 46 2HB PRO 46 -15.820 -5.232 3.453 326 1HG PRO 46 1HG PRO 46 -16.034 -2.217 3.661 327 2HG PRO 46 2HG PRO 46 -17.312 -3.384 3.220 328 1HD PRO 46 1HD PRO 46 -17.015 -2.408 5.767 329 2HD PRO 46 2HD PRO 46 -17.575 -4.079 5.451 330 H GLN 47 H GLN 47 -12.035 -4.704 5.159 331 HA GLN 47 HA GLN 47 -11.276 -1.829 5.217 332 1HB GLN 47 1HB GLN 47 -9.901 -4.343 6.267 333 2HB GLN 47 2HB GLN 47 -9.301 -2.687 6.381 334 1HG GLN 47 1HG GLN 47 -11.786 -3.813 7.723 335 2HG GLN 47 2HG GLN 47 -10.274 -3.347 8.505 336 1HE2 GLN 47 1HE2 GLN 47 -9.629 -0.893 7.536 337 2HE2 GLN 47 2HE2 GLN 47 -10.905 0.260 7.873 338 H CYS 48 H CYS 48 -9.611 -1.115 3.874 339 HA CYS 48 HA CYS 48 -9.139 -2.853 1.509 340 1HB CYS 48 1HB CYS 48 -9.703 0.071 1.846 341 2HB CYS 48 2HB CYS 48 -9.010 -0.594 0.364 342 H ARG 49 H ARG 49 -7.256 -2.399 0.225 343 HA ARG 49 HA ARG 49 -4.855 -1.418 1.582 344 1HB ARG 49 1HB ARG 49 -5.594 -3.893 2.311 345 2HB ARG 49 2HB ARG 49 -4.948 -4.309 0.735 346 1HG ARG 49 1HG ARG 49 -2.933 -2.706 1.969 347 2HG ARG 49 2HG ARG 49 -3.676 -3.588 3.293 348 1HD ARG 49 1HD ARG 49 -1.996 -4.608 1.041 349 2HD ARG 49 2HD ARG 49 -1.920 -4.950 2.750 350 HE ARG 49 HE ARG 49 -3.649 -6.532 2.596 351 1HH1 ARG 49 1HH1 ARG 49 -2.815 -5.227 -0.631 352 2HH1 ARG 49 2HH1 ARG 49 -3.624 -6.520 -1.472 353 1HH2 ARG 49 1HH2 ARG 49 -4.681 -8.198 1.449 354 2HH2 ARG 49 2HH2 ARG 49 -4.677 -8.211 -0.296 355 H CYS 50 H CYS 50 -2.952 -1.787 0.206 356 HA CYS 50 HA CYS 50 -3.566 -1.647 -2.709 357 1HB CYS 50 1HB CYS 50 -2.391 0.281 -1.715 358 2HB CYS 50 2HB CYS 50 -1.117 -0.794 -1.127 359 H TYR 51 H TYR 51 -2.564 -3.104 -4.161 360 HA TYR 51 HA TYR 51 -1.057 -5.382 -2.957 361 1HB TYR 51 1HB TYR 51 -3.358 -5.824 -3.951 362 2HB TYR 51 2HB TYR 51 -2.690 -5.362 -5.501 363 HD1 TYR 51 HD1 TYR 51 -1.620 -7.017 -6.852 364 HD2 TYR 51 HD2 TYR 51 -2.127 -7.720 -2.626 365 HE1 TYR 51 HE1 TYR 51 -0.692 -9.293 -7.117 366 HE2 TYR 51 HE2 TYR 51 -1.217 -10.005 -2.900 367 HH TYR 51 HH TYR 51 -0.352 -11.567 -4.370 368 H ASP 52 H ASP 52 -0.824 -2.641 -5.017 369 HA ASP 52 HA ASP 52 0.758 -3.563 -7.092 370 1HB ASP 52 1HB ASP 52 -0.409 -1.380 -6.945 371 2HB ASP 52 2HB ASP 52 0.811 -0.812 -5.793 372 HD2 ASP 52 HD2 ASP 52 2.072 -1.520 -9.605 373 H ILE 53 H ILE 53 2.851 -3.656 -7.584 374 HA ILE 53 HA ILE 53 4.712 -4.116 -5.328 375 HB ILE 53 HB ILE 53 4.931 -4.983 -8.235 376 1HG1 ILE 53 1HG1 ILE 53 2.844 -5.938 -7.513 377 2HG1 ILE 53 2HG1 ILE 53 4.080 -7.184 -7.651 378 1HG2 ILE 53 1HG2 ILE 53 6.267 -5.985 -5.687 379 2HG2 ILE 53 2HG2 ILE 53 6.419 -6.727 -7.293 380 3HG2 ILE 53 3HG2 ILE 53 7.029 -5.093 -7.010 381 1HD1 ILE 53 1HD1 ILE 53 3.078 -5.897 -5.098 382 2HD1 ILE 53 2HD1 ILE 53 2.736 -7.542 -5.642 383 3HD1 ILE 53 3HD1 ILE 53 4.383 -7.104 -5.146 384 H THR 54 H THR 54 6.534 -2.839 -5.159 385 HA THR 54 HA THR 54 7.377 -1.249 -7.544 386 HB THR 54 HB THR 54 8.025 0.538 -5.792 387 HG1 THR 54 HG1 THR 54 7.540 -0.725 -3.952 388 1HG2 THR 54 1HG2 THR 54 5.850 1.620 -5.806 389 2HG2 THR 54 2HG2 THR 54 6.225 0.952 -7.408 390 3HG2 THR 54 3HG2 THR 54 5.062 0.118 -6.337 391 H ASP 55 H ASP 55 9.563 -0.563 -7.546 392 HA ASP 55 HA ASP 55 11.461 -2.481 -6.478 393 1HB ASP 55 1HB ASP 55 13.093 -1.093 -7.649 394 2HB ASP 55 2HB ASP 55 11.770 -1.582 -8.711 395 HD2 ASP 55 HD2 ASP 55 12.684 2.139 -8.802 396 H PHE 56 H PHE 56 10.526 0.876 -5.916 397 HA PHE 56 HA PHE 56 12.166 1.072 -3.410 398 1HB PHE 56 1HB PHE 56 11.339 3.495 -3.521 399 2HB PHE 56 2HB PHE 56 12.486 2.968 -4.714 400 HD1 PHE 56 HD1 PHE 56 8.723 3.244 -4.288 401 HD2 PHE 56 HD2 PHE 56 12.112 3.583 -6.942 402 HE1 PHE 56 HE1 PHE 56 7.223 3.920 -6.124 403 HE2 PHE 56 HE2 PHE 56 10.596 4.270 -8.773 404 HZ PHE 56 HZ PHE 56 8.149 4.443 -8.370 405 H CYS 57 H CYS 57 10.580 2.617 -1.880 406 HA CYS 57 HA CYS 57 7.797 2.040 -2.325 407 1HB CYS 57 1HB CYS 57 8.583 0.184 -0.793 408 2HB CYS 57 2HB CYS 57 8.820 1.406 0.461 409 H TYR 58 H TYR 58 6.416 3.513 -1.217 410 HA TYR 58 HA TYR 58 7.515 6.145 -0.996 411 1HB TYR 58 1HB TYR 58 4.755 5.030 -0.354 412 2HB TYR 58 2HB TYR 58 5.156 6.728 -0.571 413 HD1 TYR 58 HD1 TYR 58 4.370 3.597 -2.271 414 HD2 TYR 58 HD2 TYR 58 5.854 7.611 -2.812 415 HE1 TYR 58 HE1 TYR 58 4.164 3.346 -4.727 416 HE2 TYR 58 HE2 TYR 58 5.563 7.385 -5.261 417 HH TYR 58 HH TYR 58 5.021 5.975 -7.001 418 HA PRO 59 HA PRO 59 8.343 6.160 3.345 419 1HB PRO 59 1HB PRO 59 8.036 8.771 4.083 420 2HB PRO 59 2HB PRO 59 9.291 8.240 2.928 421 1HG PRO 59 1HG PRO 59 6.544 9.349 2.270 422 2HG PRO 59 2HG PRO 59 8.124 9.919 1.650 423 1HD PRO 59 1HD PRO 59 6.600 8.191 0.240 424 2HD PRO 59 2HD PRO 59 8.375 7.982 0.289 425 H SER 60 H SER 60 7.421 6.944 5.563 426 HA SER 60 HA SER 60 5.096 5.583 6.045 427 1HB SER 60 1HB SER 60 5.293 7.410 8.137 428 2HB SER 60 2HB SER 60 5.912 5.761 8.037 429 HG SER 60 HG SER 60 7.512 7.395 8.546 430 H CYS 61 H CYS 61 3.017 6.003 6.024 431 HA CYS 61 HA CYS 61 2.012 8.597 5.067 432 1HB CYS 61 1HB CYS 61 1.216 6.145 4.468 433 2HB CYS 61 2HB CYS 61 0.184 6.357 5.873 434 H SER 62 H SER 62 0.001 9.423 6.094 435 HA SER 62 HA SER 62 0.115 9.501 9.071 436 1HB SER 62 1HB SER 62 0.158 11.670 7.854 437 2HB SER 62 2HB SER 62 -1.414 11.275 7.130 438 HG SER 62 HG SER 62 -1.571 12.548 9.045 Start of MODEL 10 1 1H THR 1 1H THR 1 -5.643 22.799 10.520 2 2H THR 1 2H THR 1 -6.505 22.114 9.290 3 3H THR 1 3H THR 1 -6.916 21.796 10.852 4 HA THR 1 HA THR 1 -4.423 20.997 9.561 5 HB THR 1 HB THR 1 -4.100 19.645 11.625 6 HG1 THR 1 HG1 THR 1 -6.013 21.362 12.815 7 1HG2 THR 1 1HG2 THR 1 -3.281 21.504 13.016 8 2HG2 THR 1 2HG2 THR 1 -2.887 21.767 11.306 9 3HG2 THR 1 3HG2 THR 1 -4.221 22.667 12.063 10 H LYS 2 H LYS 2 -4.310 18.864 8.826 11 HA LYS 2 HA LYS 2 -6.381 16.930 9.309 12 1HB LYS 2 1HB LYS 2 -7.532 18.378 7.635 13 2HB LYS 2 2HB LYS 2 -6.194 18.121 6.503 14 1HG LYS 2 1HG LYS 2 -6.647 15.687 6.520 15 2HG LYS 2 2HG LYS 2 -7.961 15.920 7.677 16 1HD LYS 2 1HD LYS 2 -7.893 17.199 4.901 17 2HD LYS 2 2HD LYS 2 -8.634 15.629 5.257 18 1HE LYS 2 1HE LYS 2 -10.085 16.752 6.988 19 2HE LYS 2 2HE LYS 2 -9.471 18.320 6.429 20 1HZ LYS 2 1HZ LYS 2 -11.557 17.684 5.436 21 2HZ LYS 2 2HZ LYS 2 -10.383 17.861 4.292 22 3HZ LYS 2 3HZ LYS 2 -10.865 16.353 4.757 23 H SER 3 H SER 3 -5.345 14.980 9.231 24 HA SER 3 HA SER 3 -2.570 14.877 8.336 25 1HB SER 3 1HB SER 3 -2.641 12.649 9.402 26 2HB SER 3 2HB SER 3 -3.193 13.944 10.478 27 HG SER 3 HG SER 3 -4.844 12.201 8.971 28 H THR 4 H THR 4 -3.341 15.336 6.066 29 HA THR 4 HA THR 4 -3.525 12.784 4.550 30 HB THR 4 HB THR 4 -4.947 14.094 2.885 31 HG1 THR 4 HG1 THR 4 -6.081 15.859 3.781 32 1HG2 THR 4 1HG2 THR 4 -6.193 13.526 5.614 33 2HG2 THR 4 2HG2 THR 4 -7.062 13.684 4.076 34 3HG2 THR 4 3HG2 THR 4 -5.923 12.348 4.314 35 H THR 5 H THR 5 -2.334 12.822 2.610 36 HA THR 5 HA THR 5 -0.909 15.202 1.761 37 HB THR 5 HB THR 5 0.411 14.495 3.714 38 HG1 THR 5 HG1 THR 5 2.374 14.326 2.661 39 1HG2 THR 5 1HG2 THR 5 0.770 11.816 2.297 40 2HG2 THR 5 2HG2 THR 5 1.647 12.368 3.732 41 3HG2 THR 5 3HG2 THR 5 -0.100 12.096 3.820 42 H THR 6 H THR 6 1.072 13.521 0.472 43 HA THR 6 HA THR 6 -0.359 12.829 -1.973 44 HB THR 6 HB THR 6 1.932 12.422 -2.779 45 HG1 THR 6 HG1 THR 6 2.730 11.611 -0.743 46 1HG2 THR 6 1HG2 THR 6 1.813 14.983 -1.135 47 2HG2 THR 6 2HG2 THR 6 2.794 14.671 -2.577 48 3HG2 THR 6 3HG2 THR 6 1.027 14.750 -2.712 49 H ALA 7 H ALA 7 0.649 10.770 -3.049 50 HA ALA 7 HA ALA 7 -0.259 8.329 -2.041 51 1HB ALA 7 1HB ALA 7 0.483 8.561 -4.323 52 2HB ALA 7 2HB ALA 7 2.130 8.987 -3.811 53 3HB ALA 7 3HB ALA 7 1.519 7.347 -3.536 54 H CYS 8 H CYS 8 0.238 7.185 -0.299 55 HA CYS 8 HA CYS 8 2.979 7.241 0.882 56 1HB CYS 8 1HB CYS 8 2.155 7.686 3.047 57 2HB CYS 8 2HB CYS 8 1.588 8.969 2.024 58 H CYS 9 H CYS 9 2.838 5.790 2.855 59 HA CYS 9 HA CYS 9 1.197 3.458 2.938 60 1HB CYS 9 1HB CYS 9 2.300 2.873 0.857 61 2HB CYS 9 2HB CYS 9 3.889 3.260 1.510 62 H ASP 10 H ASP 10 1.860 2.179 4.831 63 HA ASP 10 HA ASP 10 3.699 3.699 6.617 64 1HB ASP 10 1HB ASP 10 1.332 1.850 7.124 65 2HB ASP 10 2HB ASP 10 2.399 2.503 8.367 66 HD2 ASP 10 HD2 ASP 10 -0.547 4.739 6.902 67 H PHE 11 H PHE 11 2.574 0.271 6.423 68 HA PHE 11 HA PHE 11 5.293 -0.694 7.009 69 1HB PHE 11 1HB PHE 11 2.846 -2.305 6.287 70 2HB PHE 11 2HB PHE 11 4.287 -2.840 7.141 71 HD1 PHE 11 HD1 PHE 11 1.334 -3.257 7.848 72 HD2 PHE 11 HD2 PHE 11 4.264 -0.372 9.163 73 HE1 PHE 11 HE1 PHE 11 0.028 -2.871 9.904 74 HE2 PHE 11 HE2 PHE 11 2.954 0.006 11.221 75 HZ PHE 11 HZ PHE 11 0.815 -1.210 11.591 76 H CYS 12 H CYS 12 6.645 -0.607 5.247 77 HA CYS 12 HA CYS 12 5.644 -1.817 2.716 78 1HB CYS 12 1HB CYS 12 5.876 0.658 2.497 79 2HB CYS 12 2HB CYS 12 7.616 0.458 2.660 80 HA PRO 13 HA PRO 13 9.417 -4.098 4.108 81 1HB PRO 13 1HB PRO 13 8.407 -6.632 3.970 82 2HB PRO 13 2HB PRO 13 8.184 -5.585 5.402 83 1HG PRO 13 1HG PRO 13 6.252 -5.974 3.095 84 2HG PRO 13 2HG PRO 13 5.909 -6.137 4.846 85 1HD PRO 13 1HD PRO 13 5.361 -3.846 3.534 86 2HD PRO 13 2HD PRO 13 6.065 -3.780 5.172 87 H CYS 14 H CYS 14 10.652 -5.585 2.736 88 HA CYS 14 HA CYS 14 9.753 -5.800 -0.064 89 1HB CYS 14 1HB CYS 14 12.526 -4.895 0.789 90 2HB CYS 14 2HB CYS 14 11.883 -4.964 -0.844 91 H THR 15 H THR 15 10.960 -7.359 -1.294 92 HA THR 15 HA THR 15 11.768 -9.709 0.269 93 HB THR 15 HB THR 15 11.975 -10.749 -1.933 94 HG1 THR 15 HG1 THR 15 11.857 -9.621 -3.752 95 1HG2 THR 15 1HG2 THR 15 9.707 -10.612 -0.921 96 2HG2 THR 15 2HG2 THR 15 9.416 -9.088 -1.781 97 3HG2 THR 15 3HG2 THR 15 9.649 -10.590 -2.692 98 H ARG 16 H ARG 16 13.843 -10.778 -0.262 99 HA ARG 16 HA ARG 16 16.076 -8.840 -0.765 100 1HB ARG 16 1HB ARG 16 16.077 -11.480 0.739 101 2HB ARG 16 2HB ARG 16 17.450 -10.384 0.491 102 1HG ARG 16 1HG ARG 16 16.241 -8.585 1.711 103 2HG ARG 16 2HG ARG 16 14.913 -9.708 2.058 104 1HD ARG 16 1HD ARG 16 17.813 -10.095 2.903 105 2HD ARG 16 2HD ARG 16 16.507 -9.489 3.945 106 HE ARG 16 HE ARG 16 15.637 -11.941 2.870 107 1HH1 ARG 16 1HH1 ARG 16 18.172 -10.784 5.066 108 2HH1 ARG 16 2HH1 ARG 16 18.244 -12.272 5.974 109 1HH2 ARG 16 1HH2 ARG 16 15.743 -13.893 4.065 110 2HH2 ARG 16 2HH2 ARG 16 16.853 -14.047 5.403 111 H SER 17 H SER 17 14.442 -10.137 -2.879 112 HA SER 17 HA SER 17 16.163 -12.197 -4.037 113 1HB SER 17 1HB SER 17 14.353 -12.120 -5.796 114 2HB SER 17 2HB SER 17 13.808 -12.502 -4.175 115 HG SER 17 HG SER 17 13.608 -10.035 -5.554 116 H ILE 18 H ILE 18 16.265 -11.827 -6.545 117 HA ILE 18 HA ILE 18 17.541 -9.209 -7.114 118 HB ILE 18 HB ILE 18 19.204 -10.785 -6.615 119 1HG1 ILE 18 1HG1 ILE 18 20.529 -10.817 -8.710 120 2HG1 ILE 18 2HG1 ILE 18 19.097 -10.368 -9.641 121 1HG2 ILE 18 1HG2 ILE 18 18.054 -12.931 -7.053 122 2HG2 ILE 18 2HG2 ILE 18 18.269 -12.673 -8.799 123 3HG2 ILE 18 3HG2 ILE 18 19.671 -12.835 -7.747 124 1HD1 ILE 18 1HD1 ILE 18 19.011 -8.191 -8.544 125 2HD1 ILE 18 2HD1 ILE 18 20.267 -8.683 -7.379 126 3HD1 ILE 18 3HD1 ILE 18 20.670 -8.472 -9.095 127 HA PRO 19 HA PRO 19 16.726 -7.482 -8.019 128 1HB PRO 19 1HB PRO 19 14.598 -6.038 -8.796 129 2HB PRO 19 2HB PRO 19 15.950 -6.407 -9.903 130 1HG PRO 19 1HG PRO 19 13.302 -7.869 -9.680 131 2HG PRO 19 2HG PRO 19 14.088 -7.245 -11.162 132 1HD PRO 19 1HD PRO 19 14.351 -9.848 -10.370 133 2HD PRO 19 2HD PRO 19 15.706 -8.974 -11.136 134 HA PRO 20 HA PRO 20 13.732 -8.102 -4.636 135 1HB PRO 20 1HB PRO 20 14.091 -5.897 -3.136 136 2HB PRO 20 2HB PRO 20 15.397 -7.102 -3.345 137 1HG PRO 20 1HG PRO 20 15.029 -4.512 -4.884 138 2HG PRO 20 2HG PRO 20 16.504 -5.092 -4.058 139 1HD PRO 20 1HD PRO 20 16.056 -5.478 -6.746 140 2HD PRO 20 2HD PRO 20 16.934 -6.675 -5.751 141 H GLN 21 H GLN 21 11.580 -7.508 -4.192 142 HA GLN 21 HA GLN 21 10.402 -5.166 -5.606 143 1HB GLN 21 1HB GLN 21 8.309 -6.539 -5.311 144 2HB GLN 21 2HB GLN 21 9.368 -6.909 -6.673 145 1HG GLN 21 1HG GLN 21 9.241 -8.474 -4.065 146 2HG GLN 21 2HG GLN 21 8.278 -8.845 -5.491 147 1HE2 GLN 21 1HE2 GLN 21 10.850 -8.040 -7.201 148 2HE2 GLN 21 2HE2 GLN 21 11.792 -9.507 -7.114 149 H CYS 22 H CYS 22 9.295 -3.797 -4.322 150 HA CYS 22 HA CYS 22 8.975 -4.405 -1.428 151 1HB CYS 22 1HB CYS 22 9.110 -1.731 -2.819 152 2HB CYS 22 2HB CYS 22 8.813 -1.985 -1.111 153 H GLN 23 H GLN 23 7.030 -4.062 -0.501 154 HA GLN 23 HA GLN 23 4.650 -3.444 -2.125 155 1HB GLN 23 1HB GLN 23 5.140 -5.815 -2.552 156 2HB GLN 23 2HB GLN 23 5.289 -6.139 -0.818 157 1HG GLN 23 1HG GLN 23 2.964 -5.809 -0.431 158 2HG GLN 23 2HG GLN 23 2.729 -5.032 -2.006 159 1HE2 GLN 23 1HE2 GLN 23 3.006 -6.376 -3.964 160 2HE2 GLN 23 2HE2 GLN 23 2.609 -8.082 -3.873 161 H CYS 24 H CYS 24 2.751 -3.205 -0.748 162 HA CYS 24 HA CYS 24 3.532 -2.238 1.945 163 1HB CYS 24 1HB CYS 24 1.327 -1.501 0.027 164 2HB CYS 24 2HB CYS 24 1.333 -0.992 1.717 165 H THR 25 H THR 25 2.783 -3.199 3.725 166 HA THR 25 HA THR 25 0.683 -5.316 3.457 167 HB THR 25 HB THR 25 1.742 -6.277 5.483 168 HG1 THR 25 HG1 THR 25 3.770 -5.490 6.064 169 1HG2 THR 25 1HG2 THR 25 3.609 -5.871 3.103 170 2HG2 THR 25 2HG2 THR 25 3.714 -7.163 4.318 171 3HG2 THR 25 3HG2 THR 25 2.318 -7.085 3.225 172 H ASP 26 H ASP 26 0.886 -2.124 4.392 173 HA ASP 26 HA ASP 26 -0.727 -2.285 6.775 174 1HB ASP 26 1HB ASP 26 0.633 -0.338 6.304 175 2HB ASP 26 2HB ASP 26 -0.279 -0.012 4.812 176 HD2 ASP 26 HD2 ASP 26 -2.406 2.022 6.626 177 H VAL 27 H VAL 27 -2.900 -1.634 6.886 178 HA VAL 27 HA VAL 27 -4.645 -2.074 4.530 179 HB VAL 27 HB VAL 27 -4.747 -3.718 7.107 180 1HG1 VAL 27 1HG1 VAL 27 -6.668 -3.465 4.768 181 2HG1 VAL 27 2HG1 VAL 27 -6.640 -4.897 5.819 182 3HG1 VAL 27 3HG1 VAL 27 -7.000 -3.299 6.489 183 1HG2 VAL 27 1HG2 VAL 27 -4.101 -4.481 4.232 184 2HG2 VAL 27 2HG2 VAL 27 -3.041 -4.622 5.641 185 3HG2 VAL 27 3HG2 VAL 27 -4.462 -5.656 5.515 186 H ARG 28 H ARG 28 -6.410 -0.722 4.632 187 HA ARG 28 HA ARG 28 -7.284 0.455 7.156 188 1HB ARG 28 1HB ARG 28 -5.044 1.628 6.257 189 2HB ARG 28 2HB ARG 28 -6.187 2.500 5.248 190 1HG ARG 28 1HG ARG 28 -7.485 2.947 7.484 191 2HG ARG 28 2HG ARG 28 -6.107 2.204 8.293 192 1HD ARG 28 1HD ARG 28 -5.822 4.600 8.391 193 2HD ARG 28 2HD ARG 28 -4.596 3.919 7.320 194 HE ARG 28 HE ARG 28 -5.446 5.123 5.582 195 1HH1 ARG 28 1HH1 ARG 28 -7.958 5.018 8.103 196 2HH1 ARG 28 2HH1 ARG 28 -9.074 6.002 7.187 197 1HH2 ARG 28 1HH2 ARG 28 -6.931 6.405 4.422 198 2HH2 ARG 28 2HH2 ARG 28 -8.507 6.761 5.097 199 H GLU 29 H GLU 29 -8.180 2.849 5.584 200 HA GLU 29 HA GLU 29 -10.813 1.928 5.012 201 1HB GLU 29 1HB GLU 29 -10.156 4.079 6.017 202 2HB GLU 29 2HB GLU 29 -9.411 4.572 4.496 203 1HG GLU 29 1HG GLU 29 -11.695 4.424 3.420 204 2HG GLU 29 2HG GLU 29 -12.355 3.985 5.005 205 HE2 GLU 29 HE2 GLU 29 -12.986 7.472 4.991 206 H LYS 30 H LYS 30 -9.316 4.088 2.654 207 HA LYS 30 HA LYS 30 -9.557 2.076 0.491 208 1HB LYS 30 1HB LYS 30 -9.343 5.104 0.371 209 2HB LYS 30 2HB LYS 30 -9.514 3.989 -0.993 210 1HG LYS 30 1HG LYS 30 -11.721 3.235 0.128 211 2HG LYS 30 2HG LYS 30 -11.592 4.716 1.083 212 1HD LYS 30 1HD LYS 30 -11.766 4.502 -1.962 213 2HD LYS 30 2HD LYS 30 -13.035 5.013 -0.852 214 1HE LYS 30 1HE LYS 30 -12.264 7.017 -1.745 215 2HE LYS 30 2HE LYS 30 -11.487 6.951 -0.158 216 1HZ LYS 30 1HZ LYS 30 -10.259 6.229 -2.738 217 2HZ LYS 30 2HZ LYS 30 -10.004 7.631 -1.913 218 3HZ LYS 30 3HZ LYS 30 -9.488 6.201 -1.284 219 H CYS 31 H CYS 31 -7.853 2.391 -1.167 220 HA CYS 31 HA CYS 31 -5.153 2.623 -0.083 221 1HB CYS 31 1HB CYS 31 -4.561 1.951 -2.427 222 2HB CYS 31 2HB CYS 31 -5.505 0.801 -1.506 223 H HIS 32 H HIS 32 -3.574 3.807 -1.543 224 HA HIS 32 HA HIS 32 -4.443 6.590 -1.754 225 1HB HIS 32 1HB HIS 32 -2.106 7.111 -2.052 226 2HB HIS 32 2HB HIS 32 -2.457 6.256 -0.586 227 HD1 HIS 32 HD1 HIS 32 -0.292 6.154 -3.602 228 HD2 HIS 32 HD2 HIS 32 -1.555 3.578 -0.529 229 HE1 HIS 32 HE1 HIS 32 1.323 4.173 -3.577 230 HE2 HIS 32 HE2 HIS 32 0.577 2.591 -1.704 231 H SER 33 H SER 33 -3.305 7.808 -3.561 232 HA SER 33 HA SER 33 -4.697 7.261 -5.947 233 1HB SER 33 1HB SER 33 -4.089 9.508 -5.222 234 2HB SER 33 2HB SER 33 -2.373 9.122 -5.469 235 HG SER 33 HG SER 33 -4.362 9.021 -7.490 236 H ALA 34 H ALA 34 -1.472 6.328 -4.978 237 HA ALA 34 HA ALA 34 -0.770 5.467 -7.760 238 1HB ALA 34 1HB ALA 34 1.093 5.954 -5.415 239 2HB ALA 34 2HB ALA 34 1.521 5.633 -7.108 240 3HB ALA 34 3HB ALA 34 0.712 7.149 -6.670 241 H CYS 35 H CYS 35 -2.594 3.932 -6.396 242 HA CYS 35 HA CYS 35 -1.075 1.391 -6.253 243 1HB CYS 35 1HB CYS 35 -2.976 2.486 -4.230 244 2HB CYS 35 2HB CYS 35 -3.225 0.805 -4.700 245 H LYS 36 H LYS 36 -1.665 0.104 -7.804 246 HA LYS 36 HA LYS 36 -4.209 0.504 -9.290 247 1HB LYS 36 1HB LYS 36 -1.486 -0.705 -9.955 248 2HB LYS 36 2HB LYS 36 -2.918 -0.900 -10.961 249 1HG LYS 36 1HG LYS 36 -3.116 1.605 -11.120 250 2HG LYS 36 2HG LYS 36 -1.614 1.751 -10.184 251 1HD LYS 36 1HD LYS 36 -0.423 0.456 -11.975 252 2HD LYS 36 2HD LYS 36 -1.935 0.409 -12.906 253 1HE LYS 36 1HE LYS 36 -1.971 2.912 -12.931 254 2HE LYS 36 2HE LYS 36 -0.432 2.930 -12.047 255 1HZ LYS 36 1HZ LYS 36 -0.871 1.788 -14.718 256 2HZ LYS 36 2HZ LYS 36 -0.113 3.209 -14.379 257 3HZ LYS 36 3HZ LYS 36 0.561 1.786 -13.899 258 H SER 37 H SER 37 -2.188 -1.835 -7.564 259 HA SER 37 HA SER 37 -4.004 -4.081 -8.062 260 1HB SER 37 1HB SER 37 -2.143 -5.225 -6.879 261 2HB SER 37 2HB SER 37 -1.632 -4.327 -8.318 262 HG SER 37 HG SER 37 -1.451 -3.423 -5.633 263 H CYS 38 H CYS 38 -5.401 -2.425 -6.868 264 HA CYS 38 HA CYS 38 -5.257 -2.613 -3.897 265 1HB CYS 38 1HB CYS 38 -5.231 -0.380 -4.800 266 2HB CYS 38 2HB CYS 38 -6.687 -0.698 -5.754 267 H LEU 39 H LEU 39 -6.796 -3.664 -2.774 268 HA LEU 39 HA LEU 39 -9.333 -4.486 -3.987 269 1HB LEU 39 1HB LEU 39 -7.686 -6.126 -4.868 270 2HB LEU 39 2HB LEU 39 -7.159 -6.471 -3.217 271 HG LEU 39 HG LEU 39 -9.365 -7.438 -2.692 272 1HD1 LEU 39 1HD1 LEU 39 -10.983 -7.894 -4.529 273 2HD1 LEU 39 2HD1 LEU 39 -10.856 -6.168 -4.184 274 3HD1 LEU 39 3HD1 LEU 39 -10.040 -6.846 -5.610 275 1HD2 LEU 39 1HD2 LEU 39 -9.122 -9.450 -4.050 276 2HD2 LEU 39 2HD2 LEU 39 -8.190 -8.557 -5.271 277 3HD2 LEU 39 3HD2 LEU 39 -7.512 -8.821 -3.656 278 H CYS 40 H CYS 40 -10.810 -5.063 -2.438 279 HA CYS 40 HA CYS 40 -9.972 -4.725 0.391 280 1HB CYS 40 1HB CYS 40 -12.702 -3.933 -0.545 281 2HB CYS 40 2HB CYS 40 -11.768 -3.309 0.805 282 H THR 41 H THR 41 -11.228 -5.737 2.020 283 HA THR 41 HA THR 41 -11.984 -8.427 1.084 284 HB THR 41 HB THR 41 -10.426 -8.154 2.967 285 HG1 THR 41 HG1 THR 41 -12.890 -9.427 3.526 286 1HG2 THR 41 1HG2 THR 41 -11.374 -6.199 4.108 287 2HG2 THR 41 2HG2 THR 41 -12.849 -7.100 4.500 288 3HG2 THR 41 3HG2 THR 41 -11.293 -7.584 5.199 289 H ARG 42 H ARG 42 -13.956 -9.454 1.687 290 HA ARG 42 HA ARG 42 -16.298 -7.660 1.755 291 1HB ARG 42 1HB ARG 42 -16.045 -10.671 1.375 292 2HB ARG 42 2HB ARG 42 -17.508 -9.682 1.169 293 1HG ARG 42 1HG ARG 42 -16.265 -8.349 -0.567 294 2HG ARG 42 2HG ARG 42 -14.965 -9.555 -0.488 295 1HD ARG 42 1HD ARG 42 -17.876 -10.109 -1.252 296 2HD ARG 42 2HD ARG 42 -16.522 -9.958 -2.364 297 HE ARG 42 HE ARG 42 -15.635 -11.993 -1.743 298 1HH1 ARG 42 1HH1 ARG 42 -18.557 -11.374 0.209 299 2HH1 ARG 42 2HH1 ARG 42 -18.736 -13.048 0.658 300 1HH2 ARG 42 1HH2 ARG 42 -15.900 -14.153 -1.128 301 2HH2 ARG 42 2HH2 ARG 42 -17.223 -14.628 -0.097 302 H SER 43 H SER 43 -14.349 -8.599 4.127 303 HA SER 43 HA SER 43 -16.098 -9.874 5.997 304 1HB SER 43 1HB SER 43 -13.572 -8.245 6.503 305 2HB SER 43 2HB SER 43 -14.306 -9.457 7.556 306 HG SER 43 HG SER 43 -12.836 -9.819 5.213 307 H PHE 44 H PHE 44 -16.241 -8.565 8.244 308 HA PHE 44 HA PHE 44 -17.028 -5.751 7.719 309 1HB PHE 44 1HB PHE 44 -18.987 -7.275 8.059 310 2HB PHE 44 2HB PHE 44 -18.438 -7.509 9.716 311 HD1 PHE 44 HD1 PHE 44 -18.434 -5.552 11.312 312 HD2 PHE 44 HD2 PHE 44 -19.967 -5.197 7.293 313 HE1 PHE 44 HE1 PHE 44 -19.501 -3.391 11.902 314 HE2 PHE 44 HE2 PHE 44 -21.037 -3.044 7.895 315 HZ PHE 44 HZ PHE 44 -20.803 -2.136 10.196 316 HA PRO 45 HA PRO 45 -16.554 -3.786 8.526 317 1HB PRO 45 1HB PRO 45 -14.441 -2.091 8.720 318 2HB PRO 45 2HB PRO 45 -15.626 -2.346 10.033 319 1HG PRO 45 1HG PRO 45 -12.923 -3.686 9.721 320 2HG PRO 45 2HG PRO 45 -13.567 -2.846 11.163 321 1HD PRO 45 1HD PRO 45 -13.745 -5.553 10.891 322 2HD PRO 45 2HD PRO 45 -15.081 -4.619 11.623 323 HA PRO 46 HA PRO 46 -14.277 -5.108 4.814 324 1HB PRO 46 1HB PRO 46 -15.396 -3.509 2.935 325 2HB PRO 46 2HB PRO 46 -16.313 -4.801 3.754 326 1HG PRO 46 1HG PRO 46 -16.319 -1.846 4.426 327 2HG PRO 46 2HG PRO 46 -17.718 -2.934 4.222 328 1HD PRO 46 1HD PRO 46 -16.637 -2.330 6.677 329 2HD PRO 46 2HD PRO 46 -17.383 -3.916 6.315 330 H GLN 47 H GLN 47 -12.129 -4.539 5.011 331 HA GLN 47 HA GLN 47 -11.303 -1.681 4.811 332 1HB GLN 47 1HB GLN 47 -10.100 -4.144 6.143 333 2HB GLN 47 2HB GLN 47 -9.200 -2.660 5.819 334 1HG GLN 47 1HG GLN 47 -10.938 -1.375 7.137 335 2HG GLN 47 2HG GLN 47 -11.692 -2.921 7.553 336 1HE2 GLN 47 1HE2 GLN 47 -8.354 -1.497 7.482 337 2HE2 GLN 47 2HE2 GLN 47 -7.899 -2.078 9.069 338 H CYS 48 H CYS 48 -9.544 -1.172 3.472 339 HA CYS 48 HA CYS 48 -9.125 -3.119 1.284 340 1HB CYS 48 1HB CYS 48 -10.266 -0.776 0.985 341 2HB CYS 48 2HB CYS 48 -8.579 -0.252 0.802 342 H ARG 49 H ARG 49 -7.264 -3.374 0.285 343 HA ARG 49 HA ARG 49 -4.768 -2.605 1.709 344 1HB ARG 49 1HB ARG 49 -5.028 -5.289 0.403 345 2HB ARG 49 2HB ARG 49 -3.942 -4.735 1.666 346 1HG ARG 49 1HG ARG 49 -5.222 -6.154 2.878 347 2HG ARG 49 2HG ARG 49 -6.173 -4.684 3.108 348 1HD ARG 49 1HD ARG 49 -7.586 -6.625 2.618 349 2HD ARG 49 2HD ARG 49 -7.720 -5.422 1.332 350 HE ARG 49 HE ARG 49 -5.644 -7.377 0.806 351 1HH1 ARG 49 1HH1 ARG 49 -9.150 -6.958 0.655 352 2HH1 ARG 49 2HH1 ARG 49 -9.363 -8.081 -0.666 353 1HH2 ARG 49 1HH2 ARG 49 -5.905 -8.785 -0.966 354 2HH2 ARG 49 2HH2 ARG 49 -7.499 -9.135 -1.583 355 H CYS 50 H CYS 50 -2.845 -2.998 0.250 356 HA CYS 50 HA CYS 50 -3.416 -2.935 -2.656 357 1HB CYS 50 1HB CYS 50 -3.185 -0.606 -2.039 358 2HB CYS 50 2HB CYS 50 -1.681 -0.945 -1.169 359 H TYR 51 H TYR 51 -2.070 -4.112 -3.820 360 HA TYR 51 HA TYR 51 0.099 -5.611 -2.431 361 1HB TYR 51 1HB TYR 51 -2.115 -6.671 -3.272 362 2HB TYR 51 2HB TYR 51 -1.482 -6.450 -4.885 363 HD1 TYR 51 HD1 TYR 51 -0.001 -8.142 -5.791 364 HD2 TYR 51 HD2 TYR 51 -0.760 -7.990 -1.548 365 HE1 TYR 51 HE1 TYR 51 1.244 -10.262 -5.488 366 HE2 TYR 51 HE2 TYR 51 0.441 -10.135 -1.258 367 HH TYR 51 HH TYR 51 1.662 -11.793 -2.276 368 H ASP 52 H ASP 52 0.756 -3.061 -3.486 369 HA ASP 52 HA ASP 52 1.529 -3.086 -6.193 370 1HB ASP 52 1HB ASP 52 2.767 -1.091 -5.740 371 2HB ASP 52 2HB ASP 52 1.273 -1.038 -4.808 372 HD2 ASP 52 HD2 ASP 52 3.007 -1.488 -1.711 373 H ILE 53 H ILE 53 3.634 -2.998 -7.139 374 HA ILE 53 HA ILE 53 5.828 -4.491 -5.789 375 HB ILE 53 HB ILE 53 4.719 -4.965 -8.581 376 1HG1 ILE 53 1HG1 ILE 53 3.435 -6.153 -6.815 377 2HG1 ILE 53 2HG1 ILE 53 4.251 -7.212 -7.952 378 1HG2 ILE 53 1HG2 ILE 53 6.553 -6.719 -8.703 379 2HG2 ILE 53 2HG2 ILE 53 7.117 -5.045 -8.757 380 3HG2 ILE 53 3HG2 ILE 53 7.256 -5.964 -7.258 381 1HD1 ILE 53 1HD1 ILE 53 6.014 -7.706 -6.311 382 2HD1 ILE 53 2HD1 ILE 53 5.263 -6.599 -5.141 383 3HD1 ILE 53 3HD1 ILE 53 4.411 -8.062 -5.662 384 H THR 54 H THR 54 7.158 -2.749 -5.520 385 HA THR 54 HA THR 54 8.128 -1.441 -8.017 386 HB THR 54 HB THR 54 8.398 0.681 -6.577 387 HG1 THR 54 HG1 THR 54 7.709 -0.187 -4.606 388 1HG2 THR 54 1HG2 THR 54 6.889 0.596 -8.505 389 2HG2 THR 54 2HG2 THR 54 5.603 -0.109 -7.489 390 3HG2 THR 54 3HG2 THR 54 6.183 1.540 -7.178 391 H ASP 55 H ASP 55 10.284 -0.768 -7.931 392 HA ASP 55 HA ASP 55 12.036 -2.244 -6.170 393 1HB ASP 55 1HB ASP 55 12.507 0.077 -8.088 394 2HB ASP 55 2HB ASP 55 13.777 -0.813 -7.245 395 HD2 ASP 55 HD2 ASP 55 13.284 -3.801 -9.120 396 H PHE 56 H PHE 56 10.775 1.040 -6.328 397 HA PHE 56 HA PHE 56 12.076 1.849 -3.778 398 1HB PHE 56 1HB PHE 56 11.093 4.057 -4.275 399 2HB PHE 56 2HB PHE 56 12.112 3.481 -5.554 400 HD1 PHE 56 HD1 PHE 56 11.146 2.795 -7.755 401 HD2 PHE 56 HD2 PHE 56 8.657 4.342 -4.585 402 HE1 PHE 56 HE1 PHE 56 9.280 3.102 -9.357 403 HE2 PHE 56 HE2 PHE 56 6.806 4.649 -6.194 404 HZ PHE 56 HZ PHE 56 7.117 4.051 -8.586 405 H CYS 57 H CYS 57 10.288 3.313 -2.563 406 HA CYS 57 HA CYS 57 7.580 2.404 -2.783 407 1HB CYS 57 1HB CYS 57 8.708 0.687 -1.261 408 2HB CYS 57 2HB CYS 57 8.846 1.967 -0.053 409 H TYR 58 H TYR 58 6.128 3.759 -1.435 410 HA TYR 58 HA TYR 58 7.064 6.479 -1.300 411 1HB TYR 58 1HB TYR 58 4.438 5.141 -0.527 412 2HB TYR 58 2HB TYR 58 4.722 6.875 -0.556 413 HD1 TYR 58 HD1 TYR 58 4.155 3.892 -2.630 414 HD2 TYR 58 HD2 TYR 58 5.055 8.110 -2.673 415 HE1 TYR 58 HE1 TYR 58 3.835 3.937 -5.085 416 HE2 TYR 58 HE2 TYR 58 4.680 8.161 -5.123 417 HH TYR 58 HH TYR 58 3.936 5.210 -7.005 418 HA PRO 59 HA PRO 59 8.364 6.373 2.914 419 1HB PRO 59 1HB PRO 59 8.092 8.965 3.745 420 2HB PRO 59 2HB PRO 59 9.251 8.473 2.479 421 1HG PRO 59 1HG PRO 59 6.458 9.585 2.083 422 2HG PRO 59 2HG PRO 59 7.978 10.159 1.332 423 1HD PRO 59 1HD PRO 59 6.314 8.448 0.043 424 2HD PRO 59 2HD PRO 59 8.089 8.257 -0.087 425 H SER 60 H SER 60 7.667 6.966 5.222 426 HA SER 60 HA SER 60 5.338 5.649 5.832 427 1HB SER 60 1HB SER 60 5.842 7.270 8.035 428 2HB SER 60 2HB SER 60 6.374 5.615 7.724 429 HG SER 60 HG SER 60 8.108 7.091 8.185 430 H CYS 61 H CYS 61 3.283 6.162 6.080 431 HA CYS 61 HA CYS 61 2.330 8.867 5.447 432 1HB CYS 61 1HB CYS 61 1.244 6.466 4.903 433 2HB CYS 61 2HB CYS 61 0.419 6.784 6.421 434 H SER 62 H SER 62 0.378 9.547 6.935 435 HA SER 62 HA SER 62 1.238 9.747 9.751 436 1HB SER 62 1HB SER 62 -0.773 11.212 9.885 437 2HB SER 62 2HB SER 62 0.418 11.776 8.695 438 HG SER 62 HG SER 62 -1.782 10.125 8.021 Start of MODEL 11 1 1H THR 1 1H THR 1 -9.146 24.815 -2.133 2 2H THR 1 2H THR 1 -9.550 23.489 -1.237 3 3H THR 1 3H THR 1 -8.304 23.402 -2.304 4 HA THR 1 HA THR 1 -11.108 23.820 -3.001 5 HB THR 1 HB THR 1 -10.403 23.486 -5.315 6 HG1 THR 1 HG1 THR 1 -7.720 23.635 -4.424 7 1HG2 THR 1 1HG2 THR 1 -10.450 25.809 -4.412 8 2HG2 THR 1 2HG2 THR 1 -8.716 25.686 -4.035 9 3HG2 THR 1 3HG2 THR 1 -9.268 25.591 -5.715 10 H LYS 2 H LYS 2 -11.875 21.904 -4.457 11 HA LYS 2 HA LYS 2 -11.484 19.416 -2.999 12 1HB LYS 2 1HB LYS 2 -12.985 20.005 -5.585 13 2HB LYS 2 2HB LYS 2 -12.997 18.481 -4.681 14 1HG LYS 2 1HG LYS 2 -13.871 19.804 -2.674 15 2HG LYS 2 2HG LYS 2 -14.088 21.176 -3.784 16 1HD LYS 2 1HD LYS 2 -15.518 19.702 -5.241 17 2HD LYS 2 2HD LYS 2 -15.340 18.402 -4.044 18 1HE LYS 2 1HE LYS 2 -16.381 19.899 -2.316 19 2HE LYS 2 2HE LYS 2 -16.629 21.128 -3.572 20 1HZ LYS 2 1HZ LYS 2 -18.582 19.834 -3.245 21 2HZ LYS 2 2HZ LYS 2 -17.984 19.524 -4.747 22 3HZ LYS 2 3HZ LYS 2 -17.780 18.426 -3.536 23 H SER 3 H SER 3 -9.345 18.749 -3.192 24 HA SER 3 HA SER 3 -8.548 17.556 -5.733 25 1HB SER 3 1HB SER 3 -7.780 19.906 -6.006 26 2HB SER 3 2HB SER 3 -6.910 19.800 -4.462 27 HG SER 3 HG SER 3 -5.585 19.399 -6.302 28 H THR 4 H THR 4 -7.060 15.896 -5.412 29 HA THR 4 HA THR 4 -5.550 15.539 -3.009 30 HB THR 4 HB THR 4 -7.729 14.934 -2.062 31 HG1 THR 4 HG1 THR 4 -6.219 12.601 -2.559 32 1HG2 THR 4 1HG2 THR 4 -8.895 14.221 -4.170 33 2HG2 THR 4 2HG2 THR 4 -7.919 12.736 -4.173 34 3HG2 THR 4 3HG2 THR 4 -9.044 13.059 -2.843 35 H THR 5 H THR 5 -3.979 13.984 -3.300 36 HA THR 5 HA THR 5 -4.087 11.895 -5.233 37 HB THR 5 HB THR 5 -3.810 13.708 -6.853 38 HG1 THR 5 HG1 THR 5 -2.019 12.881 -7.866 39 1HG2 THR 5 1HG2 THR 5 -1.825 15.096 -6.966 40 2HG2 THR 5 2HG2 THR 5 -2.690 15.409 -5.456 41 3HG2 THR 5 3HG2 THR 5 -1.207 14.435 -5.446 42 H THR 6 H THR 6 -3.697 11.935 -2.519 43 HA THR 6 HA THR 6 -0.975 12.185 -1.706 44 HB THR 6 HB THR 6 -1.775 11.094 0.352 45 HG1 THR 6 HG1 THR 6 -4.313 11.022 -0.902 46 1HG2 THR 6 1HG2 THR 6 -3.348 12.848 1.027 47 2HG2 THR 6 2HG2 THR 6 -2.025 13.527 0.060 48 3HG2 THR 6 3HG2 THR 6 -3.630 13.290 -0.668 49 H ALA 7 H ALA 7 0.539 10.597 -1.144 50 HA ALA 7 HA ALA 7 0.070 7.788 -1.921 51 1HB ALA 7 1HB ALA 7 2.319 9.434 -3.091 52 2HB ALA 7 2HB ALA 7 2.104 7.673 -3.216 53 3HB ALA 7 3HB ALA 7 0.915 8.763 -3.960 54 H CYS 8 H CYS 8 0.199 7.084 0.132 55 HA CYS 8 HA CYS 8 2.882 7.230 1.443 56 1HB CYS 8 1HB CYS 8 1.956 7.604 3.560 57 2HB CYS 8 2HB CYS 8 1.311 8.847 2.532 58 H CYS 9 H CYS 9 2.640 5.740 3.422 59 HA CYS 9 HA CYS 9 1.089 3.340 3.244 60 1HB CYS 9 1HB CYS 9 2.822 2.946 1.402 61 2HB CYS 9 2HB CYS 9 4.067 3.099 2.643 62 H ASP 10 H ASP 10 1.835 1.851 5.117 63 HA ASP 10 HA ASP 10 3.535 3.292 7.116 64 1HB ASP 10 1HB ASP 10 1.095 3.020 7.736 65 2HB ASP 10 2HB ASP 10 1.371 1.277 7.800 66 HD2 ASP 10 HD2 ASP 10 3.624 1.630 10.599 67 H PHE 11 H PHE 11 2.369 -0.057 6.454 68 HA PHE 11 HA PHE 11 4.949 -1.220 7.115 69 1HB PHE 11 1HB PHE 11 2.537 -2.474 5.805 70 2HB PHE 11 2HB PHE 11 3.853 -3.315 6.624 71 HD1 PHE 11 HD1 PHE 11 0.893 -3.715 7.051 72 HD2 PHE 11 HD2 PHE 11 3.787 -1.253 9.100 73 HE1 PHE 11 HE1 PHE 11 -0.547 -3.691 9.058 74 HE2 PHE 11 HE2 PHE 11 2.373 -1.281 11.117 75 HZ PHE 11 HZ PHE 11 0.181 -2.461 11.102 76 H CYS 12 H CYS 12 6.576 -1.008 5.709 77 HA CYS 12 HA CYS 12 6.125 -1.418 2.771 78 1HB CYS 12 1HB CYS 12 8.034 0.379 4.286 79 2HB CYS 12 2HB CYS 12 8.315 -0.110 2.615 80 HA PRO 13 HA PRO 13 9.048 -4.749 4.122 81 1HB PRO 13 1HB PRO 13 7.655 -6.980 3.484 82 2HB PRO 13 2HB PRO 13 7.384 -6.110 5.024 83 1HG PRO 13 1HG PRO 13 5.801 -5.832 2.454 84 2HG PRO 13 2HG PRO 13 5.173 -6.152 4.100 85 1HD PRO 13 1HD PRO 13 5.263 -3.629 3.039 86 2HD PRO 13 2HD PRO 13 5.585 -3.927 4.776 87 H CYS 14 H CYS 14 10.132 -6.220 2.634 88 HA CYS 14 HA CYS 14 9.475 -6.143 -0.189 89 1HB CYS 14 1HB CYS 14 10.639 -4.001 0.162 90 2HB CYS 14 2HB CYS 14 12.034 -4.847 0.859 91 H THR 15 H THR 15 10.901 -7.450 -1.447 92 HA THR 15 HA THR 15 11.789 -9.845 0.070 93 HB THR 15 HB THR 15 11.823 -10.891 -2.178 94 HG1 THR 15 HG1 THR 15 10.658 -8.468 -3.042 95 1HG2 THR 15 1HG2 THR 15 9.769 -11.016 -0.794 96 2HG2 THR 15 2HG2 THR 15 9.175 -9.513 -1.531 97 3HG2 THR 15 3HG2 THR 15 9.398 -10.962 -2.528 98 H ARG 16 H ARG 16 13.834 -10.828 -0.496 99 HA ARG 16 HA ARG 16 15.959 -8.780 -0.986 100 1HB ARG 16 1HB ARG 16 15.971 -11.425 0.493 101 2HB ARG 16 2HB ARG 16 17.359 -10.328 0.305 102 1HG ARG 16 1HG ARG 16 16.117 -8.529 1.464 103 2HG ARG 16 2HG ARG 16 14.752 -9.623 1.738 104 1HD ARG 16 1HD ARG 16 17.587 -10.068 2.788 105 2HD ARG 16 2HD ARG 16 16.249 -9.380 3.700 106 HE ARG 16 HE ARG 16 15.134 -11.398 3.818 107 1HH1 ARG 16 1HH1 ARG 16 18.162 -11.854 1.986 108 2HH1 ARG 16 2HH1 ARG 16 18.123 -13.589 2.154 109 1HH2 ARG 16 1HH2 ARG 16 15.128 -13.649 4.025 110 2HH2 ARG 16 2HH2 ARG 16 16.394 -14.612 3.308 111 H SER 17 H SER 17 14.619 -9.843 -3.214 112 HA SER 17 HA SER 17 16.400 -11.837 -4.440 113 1HB SER 17 1HB SER 17 14.547 -11.525 -6.252 114 2HB SER 17 2HB SER 17 14.150 -12.342 -4.740 115 HG SER 17 HG SER 17 12.580 -10.799 -5.210 116 H ILE 18 H ILE 18 16.589 -11.282 -6.891 117 HA ILE 18 HA ILE 18 17.612 -8.514 -7.258 118 HB ILE 18 HB ILE 18 19.344 -10.056 -6.575 119 1HG1 ILE 18 1HG1 ILE 18 19.968 -8.080 -7.719 120 2HG1 ILE 18 2HG1 ILE 18 21.027 -9.410 -8.182 121 1HG2 ILE 18 1HG2 ILE 18 18.561 -12.140 -7.680 122 2HG2 ILE 18 2HG2 ILE 18 19.198 -11.518 -9.217 123 3HG2 ILE 18 3HG2 ILE 18 20.281 -11.776 -7.850 124 1HD1 ILE 18 1HD1 ILE 18 20.554 -8.072 -10.122 125 2HD1 ILE 18 2HD1 ILE 18 19.734 -9.625 -10.341 126 3HD1 ILE 18 3HD1 ILE 18 18.813 -8.176 -9.869 127 HA PRO 19 HA PRO 19 16.710 -6.887 -8.299 128 1HB PRO 19 1HB PRO 19 14.394 -5.756 -9.124 129 2HB PRO 19 2HB PRO 19 15.818 -5.920 -10.191 130 1HG PRO 19 1HG PRO 19 13.413 -7.763 -10.034 131 2HG PRO 19 2HG PRO 19 14.134 -7.027 -11.498 132 1HD PRO 19 1HD PRO 19 14.760 -9.557 -10.704 133 2HD PRO 19 2HD PRO 19 16.007 -8.487 -11.408 134 HA PRO 20 HA PRO 20 13.912 -7.895 -4.827 135 1HB PRO 20 1HB PRO 20 13.838 -5.546 -3.495 136 2HB PRO 20 2HB PRO 20 15.311 -6.549 -3.584 137 1HG PRO 20 1HG PRO 20 14.602 -4.135 -5.275 138 2HG PRO 20 2HG PRO 20 16.134 -4.458 -4.412 139 1HD PRO 20 1HD PRO 20 15.806 -5.016 -7.070 140 2HD PRO 20 2HD PRO 20 16.798 -6.062 -6.011 141 H GLN 21 H GLN 21 11.711 -7.909 -4.533 142 HA GLN 21 HA GLN 21 9.993 -5.946 -5.994 143 1HB GLN 21 1HB GLN 21 9.424 -8.747 -4.897 144 2HB GLN 21 2HB GLN 21 8.215 -7.594 -5.410 145 1HG GLN 21 1HG GLN 21 8.345 -8.593 -7.395 146 2HG GLN 21 2HG GLN 21 9.772 -7.589 -7.657 147 1HE2 GLN 21 1HE2 GLN 21 11.925 -8.620 -7.090 148 2HE2 GLN 21 2HE2 GLN 21 12.074 -10.348 -7.267 149 H CYS 22 H CYS 22 9.609 -4.283 -4.678 150 HA CYS 22 HA CYS 22 9.148 -4.702 -1.763 151 1HB CYS 22 1HB CYS 22 9.810 -2.179 -3.288 152 2HB CYS 22 2HB CYS 22 9.621 -2.332 -1.546 153 H GLN 23 H GLN 23 7.323 -3.807 -0.779 154 HA GLN 23 HA GLN 23 5.152 -2.853 -2.536 155 1HB GLN 23 1HB GLN 23 3.787 -4.788 -1.741 156 2HB GLN 23 2HB GLN 23 5.086 -5.225 -2.860 157 1HG GLN 23 1HG GLN 23 6.457 -6.069 -1.004 158 2HG GLN 23 2HG GLN 23 5.251 -5.515 0.167 159 1HE2 GLN 23 1HE2 GLN 23 5.606 -7.623 -2.742 160 2HE2 GLN 23 2HE2 GLN 23 4.472 -8.843 -2.200 161 H CYS 24 H CYS 24 3.172 -2.441 -1.347 162 HA CYS 24 HA CYS 24 3.656 -1.510 1.452 163 1HB CYS 24 1HB CYS 24 3.134 0.306 -0.091 164 2HB CYS 24 2HB CYS 24 1.667 -0.535 -0.627 165 H THR 25 H THR 25 2.559 -2.544 2.994 166 HA THR 25 HA THR 25 0.357 -4.418 2.199 167 HB THR 25 HB THR 25 1.269 -5.898 3.950 168 HG1 THR 25 HG1 THR 25 3.348 -5.354 4.767 169 1HG2 THR 25 1HG2 THR 25 3.406 -5.061 1.936 170 2HG2 THR 25 2HG2 THR 25 3.228 -6.639 2.730 171 3HG2 THR 25 3HG2 THR 25 2.007 -6.094 1.565 172 H ASP 26 H ASP 26 0.636 -1.494 3.711 173 HA ASP 26 HA ASP 26 -0.633 -2.086 6.186 174 1HB ASP 26 1HB ASP 26 0.539 0.011 5.758 175 2HB ASP 26 2HB ASP 26 -0.776 0.529 4.677 176 HD2 ASP 26 HD2 ASP 26 -2.818 1.454 7.337 177 H VAL 27 H VAL 27 -2.655 -1.901 6.837 178 HA VAL 27 HA VAL 27 -4.825 -2.341 4.825 179 HB VAL 27 HB VAL 27 -4.667 -3.354 7.693 180 1HG1 VAL 27 1HG1 VAL 27 -6.592 -4.779 6.945 181 2HG1 VAL 27 2HG1 VAL 27 -6.965 -3.051 6.937 182 3HG1 VAL 27 3HG1 VAL 27 -6.626 -3.892 5.409 183 1HG2 VAL 27 1HG2 VAL 27 -4.342 -5.586 6.709 184 2HG2 VAL 27 2HG2 VAL 27 -4.268 -4.883 5.085 185 3HG2 VAL 27 3HG2 VAL 27 -2.996 -4.529 6.276 186 H ARG 28 H ARG 28 -6.409 -0.806 4.824 187 HA ARG 28 HA ARG 28 -6.957 0.991 7.033 188 1HB ARG 28 1HB ARG 28 -4.669 1.481 5.359 189 2HB ARG 28 2HB ARG 28 -5.852 2.632 4.828 190 1HG ARG 28 1HG ARG 28 -5.018 2.193 7.740 191 2HG ARG 28 2HG ARG 28 -4.297 3.395 6.663 192 1HD ARG 28 1HD ARG 28 -7.239 3.343 7.457 193 2HD ARG 28 2HD ARG 28 -5.985 4.355 8.191 194 HE ARG 28 HE ARG 28 -5.822 4.837 5.446 195 1HH1 ARG 28 1HH1 ARG 28 -8.193 5.317 8.039 196 2HH1 ARG 28 2HH1 ARG 28 -8.909 6.726 7.298 197 1HH2 ARG 28 1HH2 ARG 28 -6.754 6.690 4.487 198 2HH2 ARG 28 2HH2 ARG 28 -8.074 7.520 5.271 199 H GLU 29 H GLU 29 -7.846 3.158 5.403 200 HA GLU 29 HA GLU 29 -10.208 2.093 4.091 201 1HB GLU 29 1HB GLU 29 -9.718 4.375 5.407 202 2HB GLU 29 2HB GLU 29 -9.289 4.951 3.797 203 1HG GLU 29 1HG GLU 29 -11.601 4.039 3.074 204 2HG GLU 29 2HG GLU 29 -11.917 3.743 4.785 205 HE2 GLU 29 HE2 GLU 29 -11.679 7.347 5.460 206 H LYS 30 H LYS 30 -10.002 4.138 1.869 207 HA LYS 30 HA LYS 30 -9.325 2.276 -0.069 208 1HB LYS 30 1HB LYS 30 -9.337 5.260 -0.519 209 2HB LYS 30 2HB LYS 30 -9.662 3.983 -1.686 210 1HG LYS 30 1HG LYS 30 -11.689 3.313 -0.339 211 2HG LYS 30 2HG LYS 30 -11.439 4.757 0.664 212 1HD LYS 30 1HD LYS 30 -11.589 6.186 -1.362 213 2HD LYS 30 2HD LYS 30 -11.934 4.739 -2.337 214 1HE LYS 30 1HE LYS 30 -13.958 4.295 -0.976 215 2HE LYS 30 2HE LYS 30 -13.609 5.717 0.026 216 1HZ LYS 30 1HZ LYS 30 -14.163 5.773 -2.857 217 2HZ LYS 30 2HZ LYS 30 -15.231 6.164 -1.665 218 3HZ LYS 30 3HZ LYS 30 -13.884 7.083 -1.896 219 H CYS 31 H CYS 31 -7.757 2.237 -1.662 220 HA CYS 31 HA CYS 31 -5.064 2.507 -0.696 221 1HB CYS 31 1HB CYS 31 -4.592 1.691 -3.108 222 2HB CYS 31 2HB CYS 31 -5.267 0.621 -1.887 223 H HIS 32 H HIS 32 -3.378 3.650 -1.624 224 HA HIS 32 HA HIS 32 -4.147 6.369 -2.034 225 1HB HIS 32 1HB HIS 32 -1.815 6.878 -1.959 226 2HB HIS 32 2HB HIS 32 -2.338 5.916 -0.626 227 HD1 HIS 32 HD1 HIS 32 0.092 5.981 -3.479 228 HD2 HIS 32 HD2 HIS 32 -1.305 3.305 -0.558 229 HE1 HIS 32 HE1 HIS 32 1.702 4.006 -3.448 230 HE2 HIS 32 HE2 HIS 32 0.859 2.341 -1.680 231 H SER 33 H SER 33 -2.867 7.759 -3.536 232 HA SER 33 HA SER 33 -3.938 7.413 -6.117 233 1HB SER 33 1HB SER 33 -3.437 9.573 -5.008 234 2HB SER 33 2HB SER 33 -1.708 9.270 -5.295 235 HG SER 33 HG SER 33 -2.646 10.560 -6.928 236 H ALA 34 H ALA 34 -0.793 6.579 -4.843 237 HA ALA 34 HA ALA 34 0.228 5.834 -7.557 238 1HB ALA 34 1HB ALA 34 1.770 6.183 -4.967 239 2HB ALA 34 2HB ALA 34 2.414 6.011 -6.615 240 3HB ALA 34 3HB ALA 34 1.528 7.478 -6.162 241 H CYS 35 H CYS 35 -1.719 4.200 -6.241 242 HA CYS 35 HA CYS 35 -0.168 1.705 -5.742 243 1HB CYS 35 1HB CYS 35 -1.505 2.507 -3.815 244 2HB CYS 35 2HB CYS 35 -2.961 2.437 -4.806 245 H LYS 36 H LYS 36 -0.609 0.038 -7.133 246 HA LYS 36 HA LYS 36 -2.138 0.768 -9.569 247 1HB LYS 36 1HB LYS 36 0.311 0.365 -9.624 248 2HB LYS 36 2HB LYS 36 0.050 -1.301 -9.110 249 1HG LYS 36 1HG LYS 36 -1.405 -1.670 -11.123 250 2HG LYS 36 2HG LYS 36 -1.035 -0.027 -11.669 251 1HD LYS 36 1HD LYS 36 1.029 -2.229 -11.174 252 2HD LYS 36 2HD LYS 36 0.314 -1.846 -12.750 253 1HE LYS 36 1HE LYS 36 1.224 0.468 -12.607 254 2HE LYS 36 2HE LYS 36 2.016 0.056 -11.071 255 1HZ LYS 36 1HZ LYS 36 3.486 -0.133 -12.930 256 2HZ LYS 36 2HZ LYS 36 3.272 -1.597 -12.205 257 3HZ LYS 36 3HZ LYS 36 2.521 -1.266 -13.637 258 H SER 37 H SER 37 -1.341 -2.054 -7.588 259 HA SER 37 HA SER 37 -3.927 -3.379 -8.323 260 1HB SER 37 1HB SER 37 -1.824 -4.650 -8.799 261 2HB SER 37 2HB SER 37 -1.428 -4.590 -7.079 262 HG SER 37 HG SER 37 -3.720 -5.759 -8.293 263 H CYS 38 H CYS 38 -5.383 -3.781 -6.713 264 HA CYS 38 HA CYS 38 -4.810 -3.143 -3.897 265 1HB CYS 38 1HB CYS 38 -5.115 -0.991 -4.975 266 2HB CYS 38 2HB CYS 38 -6.597 -1.529 -5.761 267 H LEU 39 H LEU 39 -6.353 -3.998 -2.504 268 HA LEU 39 HA LEU 39 -8.716 -5.395 -3.547 269 1HB LEU 39 1HB LEU 39 -6.840 -6.983 -3.909 270 2HB LEU 39 2HB LEU 39 -6.353 -6.783 -2.221 271 HG LEU 39 HG LEU 39 -8.476 -7.849 -1.475 272 1HD1 LEU 39 1HD1 LEU 39 -8.941 -8.302 -4.464 273 2HD1 LEU 39 2HD1 LEU 39 -9.863 -9.058 -3.147 274 3HD1 LEU 39 3HD1 LEU 39 -9.960 -7.314 -3.399 275 1HD2 LEU 39 1HD2 LEU 39 -6.423 -9.160 -1.796 276 2HD2 LEU 39 2HD2 LEU 39 -7.873 -10.113 -2.150 277 3HD2 LEU 39 3HD2 LEU 39 -6.883 -9.479 -3.483 278 H CYS 40 H CYS 40 -10.152 -6.014 -1.831 279 HA CYS 40 HA CYS 40 -9.498 -4.973 0.864 280 1HB CYS 40 1HB CYS 40 -12.181 -4.602 -0.503 281 2HB CYS 40 2HB CYS 40 -11.651 -3.885 1.013 282 H THR 41 H THR 41 -11.013 -5.708 2.538 283 HA THR 41 HA THR 41 -11.294 -8.610 2.296 284 HB THR 41 HB THR 41 -11.828 -8.464 4.699 285 HG1 THR 41 HG1 THR 41 -11.922 -6.534 5.705 286 1HG2 THR 41 1HG2 THR 41 -9.374 -6.795 4.024 287 2HG2 THR 41 2HG2 THR 41 -9.658 -7.764 5.485 288 3HG2 THR 41 3HG2 THR 41 -9.454 -8.569 3.914 289 H ARG 42 H ARG 42 -13.207 -9.720 2.911 290 HA ARG 42 HA ARG 42 -15.726 -8.406 2.080 291 1HB ARG 42 1HB ARG 42 -16.584 -10.616 1.842 292 2HB ARG 42 2HB ARG 42 -15.059 -10.474 0.960 293 1HG ARG 42 1HG ARG 42 -13.898 -11.662 2.807 294 2HG ARG 42 2HG ARG 42 -15.447 -11.795 3.677 295 1HD ARG 42 1HD ARG 42 -16.400 -13.052 1.769 296 2HD ARG 42 2HD ARG 42 -14.833 -12.969 0.932 297 HE ARG 42 HE ARG 42 -14.256 -14.078 3.406 298 1HH1 ARG 42 1HH1 ARG 42 -16.392 -14.955 0.702 299 2HH1 ARG 42 2HH1 ARG 42 -16.275 -16.668 1.006 300 1HH2 ARG 42 1HH2 ARG 42 -14.102 -16.332 3.774 301 2HH2 ARG 42 2HH2 ARG 42 -14.963 -17.453 2.752 302 H SER 43 H SER 43 -14.166 -8.282 4.887 303 HA SER 43 HA SER 43 -15.995 -9.494 6.716 304 1HB SER 43 1HB SER 43 -14.511 -8.224 8.363 305 2HB SER 43 2HB SER 43 -13.719 -9.373 7.309 306 HG SER 43 HG SER 43 -13.834 -6.548 7.028 307 H PHE 44 H PHE 44 -16.537 -7.951 8.625 308 HA PHE 44 HA PHE 44 -17.810 -5.434 7.678 309 1HB PHE 44 1HB PHE 44 -19.508 -7.183 7.809 310 2HB PHE 44 2HB PHE 44 -19.122 -7.455 9.505 311 HD1 PHE 44 HD1 PHE 44 -20.064 -6.015 11.211 312 HD2 PHE 44 HD2 PHE 44 -20.357 -4.911 7.050 313 HE1 PHE 44 HE1 PHE 44 -21.545 -4.120 11.813 314 HE2 PHE 44 HE2 PHE 44 -21.830 -3.011 7.662 315 HZ PHE 44 HZ PHE 44 -22.404 -2.597 10.045 316 HA PRO 45 HA PRO 45 -17.341 -3.372 8.105 317 1HB PRO 45 1HB PRO 45 -15.236 -1.662 8.350 318 2HB PRO 45 2HB PRO 45 -16.660 -1.626 9.429 319 1HG PRO 45 1HG PRO 45 -14.010 -3.009 9.936 320 2HG PRO 45 2HG PRO 45 -14.870 -1.868 11.015 321 1HD PRO 45 1HD PRO 45 -15.128 -4.558 11.320 322 2HD PRO 45 2HD PRO 45 -16.544 -3.487 11.525 323 HA PRO 46 HA PRO 46 -14.278 -5.140 5.192 324 1HB PRO 46 1HB PRO 46 -14.709 -3.623 2.999 325 2HB PRO 46 2HB PRO 46 -15.958 -4.751 3.601 326 1HG PRO 46 1HG PRO 46 -15.757 -1.772 4.148 327 2HG PRO 46 2HG PRO 46 -17.181 -2.674 3.552 328 1HD PRO 46 1HD PRO 46 -16.809 -2.078 6.201 329 2HD PRO 46 2HD PRO 46 -17.583 -3.610 5.688 330 H GLN 47 H GLN 47 -12.184 -4.505 4.378 331 HA GLN 47 HA GLN 47 -11.215 -1.792 4.998 332 1HB GLN 47 1HB GLN 47 -11.095 -3.690 6.976 333 2HB GLN 47 2HB GLN 47 -9.629 -4.105 6.098 334 1HG GLN 47 1HG GLN 47 -9.134 -2.549 7.901 335 2HG GLN 47 2HG GLN 47 -8.829 -1.772 6.340 336 1HE2 GLN 47 1HE2 GLN 47 -11.801 -2.281 8.378 337 2HE2 GLN 47 2HE2 GLN 47 -12.258 -0.592 8.409 338 H CYS 48 H CYS 48 -9.542 -1.178 3.676 339 HA CYS 48 HA CYS 48 -9.021 -3.032 1.428 340 1HB CYS 48 1HB CYS 48 -9.244 -0.050 1.672 341 2HB CYS 48 2HB CYS 48 -8.613 -0.843 0.231 342 H ARG 49 H ARG 49 -7.031 -2.900 0.301 343 HA ARG 49 HA ARG 49 -4.619 -2.047 1.781 344 1HB ARG 49 1HB ARG 49 -5.389 -4.241 2.703 345 2HB ARG 49 2HB ARG 49 -5.209 -4.930 1.089 346 1HG ARG 49 1HG ARG 49 -2.675 -3.926 1.447 347 2HG ARG 49 2HG ARG 49 -3.172 -4.038 3.129 348 1HD ARG 49 1HD ARG 49 -2.038 -6.027 2.539 349 2HD ARG 49 2HD ARG 49 -3.743 -6.447 2.723 350 HE ARG 49 HE ARG 49 -2.202 -6.042 0.162 351 1HH1 ARG 49 1HH1 ARG 49 -5.103 -7.444 1.706 352 2HH1 ARG 49 2HH1 ARG 49 -5.576 -8.307 0.269 353 1HH2 ARG 49 1HH2 ARG 49 -2.842 -7.182 -1.663 354 2HH2 ARG 49 2HH2 ARG 49 -4.286 -8.161 -1.660 355 H CYS 50 H CYS 50 -2.778 -2.175 0.474 356 HA CYS 50 HA CYS 50 -3.221 -2.172 -2.451 357 1HB CYS 50 1HB CYS 50 -1.108 -1.117 -0.575 358 2HB CYS 50 2HB CYS 50 -0.694 -1.445 -2.251 359 H TYR 51 H TYR 51 -2.012 -3.380 -3.830 360 HA TYR 51 HA TYR 51 -0.297 -5.572 -2.806 361 1HB TYR 51 1HB TYR 51 -2.697 -6.279 -3.502 362 2HB TYR 51 2HB TYR 51 -2.250 -5.829 -5.121 363 HD1 TYR 51 HD1 TYR 51 -1.406 -7.550 -6.520 364 HD2 TYR 51 HD2 TYR 51 -0.952 -7.918 -2.244 365 HE1 TYR 51 HE1 TYR 51 -0.532 -9.847 -6.806 366 HE2 TYR 51 HE2 TYR 51 -0.094 -10.218 -2.536 367 HH TYR 51 HH TYR 51 0.458 -11.887 -4.036 368 H ASP 52 H ASP 52 0.034 -2.756 -3.952 369 HA ASP 52 HA ASP 52 0.955 -2.894 -6.635 370 1HB ASP 52 1HB ASP 52 0.212 -0.836 -5.496 371 2HB ASP 52 2HB ASP 52 1.565 -0.950 -4.364 372 HD2 ASP 52 HD2 ASP 52 3.255 1.213 -6.473 373 H ILE 53 H ILE 53 2.837 -3.708 -7.410 374 HA ILE 53 HA ILE 53 5.101 -4.250 -5.537 375 HB ILE 53 HB ILE 53 4.554 -5.502 -8.249 376 1HG1 ILE 53 1HG1 ILE 53 2.782 -6.284 -6.843 377 2HG1 ILE 53 2HG1 ILE 53 3.972 -7.566 -7.028 378 1HG2 ILE 53 1HG2 ILE 53 6.280 -7.139 -7.458 379 2HG2 ILE 53 2HG2 ILE 53 6.910 -5.504 -7.680 380 3HG2 ILE 53 3HG2 ILE 53 6.571 -6.096 -6.048 381 1HD1 ILE 53 1HD1 ILE 53 3.613 -5.792 -4.579 382 2HD1 ILE 53 2HD1 ILE 53 3.191 -7.499 -4.733 383 3HD1 ILE 53 3HD1 ILE 53 4.895 -7.012 -4.767 384 H THR 54 H THR 54 6.762 -2.924 -5.723 385 HA THR 54 HA THR 54 7.552 -1.773 -8.325 386 HB THR 54 HB THR 54 7.969 0.427 -7.013 387 HG1 THR 54 HG1 THR 54 7.523 -0.445 -4.930 388 1HG2 THR 54 1HG2 THR 54 6.200 0.244 -8.724 389 2HG2 THR 54 2HG2 THR 54 5.071 -0.358 -7.485 390 3HG2 THR 54 3HG2 THR 54 5.727 1.283 -7.366 391 H ASP 55 H ASP 55 9.778 -0.532 -7.808 392 HA ASP 55 HA ASP 55 11.549 -2.487 -6.531 393 1HB ASP 55 1HB ASP 55 12.057 -1.224 -8.655 394 2HB ASP 55 2HB ASP 55 12.217 0.245 -7.685 395 HD2 ASP 55 HD2 ASP 55 15.011 -2.711 -7.447 396 H PHE 56 H PHE 56 9.628 0.090 -5.445 397 HA PHE 56 HA PHE 56 11.267 0.641 -3.021 398 1HB PHE 56 1HB PHE 56 10.617 3.055 -3.394 399 2HB PHE 56 2HB PHE 56 11.699 2.399 -4.585 400 HD1 PHE 56 HD1 PHE 56 11.046 2.184 -6.922 401 HD2 PHE 56 HD2 PHE 56 8.185 3.474 -3.960 402 HE1 PHE 56 HE1 PHE 56 9.437 2.758 -8.719 403 HE2 PHE 56 HE2 PHE 56 6.576 4.000 -5.760 404 HZ PHE 56 HZ PHE 56 7.196 3.667 -8.138 405 H CYS 57 H CYS 57 9.692 2.353 -1.786 406 HA CYS 57 HA CYS 57 6.862 1.716 -1.895 407 1HB CYS 57 1HB CYS 57 7.827 -0.100 -0.489 408 2HB CYS 57 2HB CYS 57 8.459 1.113 0.622 409 H TYR 58 H TYR 58 5.640 3.290 -0.652 410 HA TYR 58 HA TYR 58 6.941 5.877 -0.670 411 1HB TYR 58 1HB TYR 58 4.105 4.913 -0.155 412 2HB TYR 58 2HB TYR 58 4.574 6.601 -0.068 413 HD1 TYR 58 HD1 TYR 58 5.175 7.901 -2.047 414 HD2 TYR 58 HD2 TYR 58 4.069 3.744 -2.356 415 HE1 TYR 58 HE1 TYR 58 5.254 8.063 -4.515 416 HE2 TYR 58 HE2 TYR 58 4.137 3.915 -4.828 417 HH TYR 58 HH TYR 58 5.217 6.896 -6.503 418 HA PRO 59 HA PRO 59 8.002 6.062 3.548 419 1HB PRO 59 1HB PRO 59 7.842 8.728 4.202 420 2HB PRO 59 2HB PRO 59 9.035 8.064 3.052 421 1HG PRO 59 1HG PRO 59 6.358 9.328 2.411 422 2HG PRO 59 2HG PRO 59 7.953 9.728 1.704 423 1HD PRO 59 1HD PRO 59 6.238 8.056 0.447 424 2HD PRO 59 2HD PRO 59 7.990 7.705 0.451 425 H SER 60 H SER 60 7.320 6.943 5.805 426 HA SER 60 HA SER 60 4.963 5.679 6.442 427 1HB SER 60 1HB SER 60 5.352 7.073 8.650 428 2HB SER 60 2HB SER 60 6.314 5.678 8.171 429 HG SER 60 HG SER 60 6.946 8.414 7.661 430 H CYS 61 H CYS 61 2.989 6.222 6.697 431 HA CYS 61 HA CYS 61 1.980 8.859 5.905 432 1HB CYS 61 1HB CYS 61 1.042 6.404 5.426 433 2HB CYS 61 2HB CYS 61 0.157 6.688 6.913 434 H SER 62 H SER 62 -0.029 9.592 7.229 435 HA SER 62 HA SER 62 0.642 10.024 10.057 436 1HB SER 62 1HB SER 62 -1.458 11.355 10.006 437 2HB SER 62 2HB SER 62 -0.289 11.875 8.777 438 HG SER 62 HG SER 62 -2.371 10.030 8.264 Start of MODEL 12 1 1H THR 1 1H THR 1 3.694 20.571 9.423 2 2H THR 1 2H THR 1 4.907 19.842 8.565 3 3H THR 1 3H THR 1 3.776 20.749 7.782 4 HA THR 1 HA THR 1 3.216 18.261 9.202 5 HB THR 1 HB THR 1 1.023 18.421 8.065 6 HG1 THR 1 HG1 THR 1 0.482 20.390 7.090 7 1HG2 THR 1 1HG2 THR 1 1.261 19.265 10.394 8 2HG2 THR 1 2HG2 THR 1 1.612 20.891 9.762 9 3HG2 THR 1 3HG2 THR 1 0.031 20.147 9.470 10 H LYS 2 H LYS 2 2.465 16.520 7.652 11 HA LYS 2 HA LYS 2 4.296 16.174 5.452 12 1HB LYS 2 1HB LYS 2 2.972 14.418 6.970 13 2HB LYS 2 2HB LYS 2 1.724 14.616 5.745 14 1HG LYS 2 1HG LYS 2 3.708 14.074 4.039 15 2HG LYS 2 2HG LYS 2 4.592 13.644 5.492 16 1HD LYS 2 1HD LYS 2 3.836 11.622 4.809 17 2HD LYS 2 2HD LYS 2 2.540 12.027 5.942 18 1HE LYS 2 1HE LYS 2 2.493 12.402 2.889 19 2HE LYS 2 2HE LYS 2 1.773 11.039 3.749 20 1HZ LYS 2 1HZ LYS 2 0.950 13.841 4.046 21 2HZ LYS 2 2HZ LYS 2 0.166 12.695 3.185 22 3HZ LYS 2 3HZ LYS 2 0.285 12.547 4.825 23 H SER 3 H SER 3 3.408 15.705 3.181 24 HA SER 3 HA SER 3 1.721 17.668 2.007 25 1HB SER 3 1HB SER 3 1.812 16.055 0.084 26 2HB SER 3 2HB SER 3 3.407 16.368 0.780 27 HG SER 3 HG SER 3 2.735 14.071 0.407 28 H THR 4 H THR 4 -0.203 16.543 0.553 29 HA THR 4 HA THR 4 -2.311 15.820 2.432 30 HB THR 4 HB THR 4 -3.719 15.979 0.402 31 HG1 THR 4 HG1 THR 4 -2.668 16.515 -1.549 32 1HG2 THR 4 1HG2 THR 4 -1.747 18.286 0.599 33 2HG2 THR 4 2HG2 THR 4 -3.370 18.316 -0.111 34 3HG2 THR 4 3HG2 THR 4 -3.174 18.036 1.628 35 H THR 5 H THR 5 -3.659 14.075 0.408 36 HA THR 5 HA THR 5 -2.612 11.526 1.339 37 HB THR 5 HB THR 5 -4.968 11.896 1.388 38 HG1 THR 5 HG1 THR 5 -4.227 10.052 -0.617 39 1HG2 THR 5 1HG2 THR 5 -5.341 13.483 -0.460 40 2HG2 THR 5 2HG2 THR 5 -4.944 12.226 -1.650 41 3HG2 THR 5 3HG2 THR 5 -6.370 12.057 -0.616 42 H THR 6 H THR 6 -0.537 12.421 0.048 43 HA THR 6 HA THR 6 -0.343 11.668 -2.744 44 HB THR 6 HB THR 6 2.068 11.970 -2.284 45 HG1 THR 6 HG1 THR 6 1.965 11.237 -0.081 46 1HG2 THR 6 1HG2 THR 6 0.346 14.210 -1.132 47 2HG2 THR 6 2HG2 THR 6 1.998 14.354 -1.767 48 3HG2 THR 6 3HG2 THR 6 0.668 13.927 -2.857 49 H ALA 7 H ALA 7 1.461 10.044 -3.281 50 HA ALA 7 HA ALA 7 0.720 7.408 -2.622 51 1HB ALA 7 1HB ALA 7 2.767 6.751 -3.733 52 2HB ALA 7 2HB ALA 7 1.995 8.094 -4.613 53 3HB ALA 7 3HB ALA 7 3.420 8.401 -3.602 54 H CYS 8 H CYS 8 0.886 6.391 -0.701 55 HA CYS 8 HA CYS 8 3.211 6.788 1.076 56 1HB CYS 8 1HB CYS 8 1.859 7.510 2.919 57 2HB CYS 8 2HB CYS 8 1.552 8.595 1.599 58 H CYS 9 H CYS 9 2.298 5.644 3.244 59 HA CYS 9 HA CYS 9 0.980 3.108 2.968 60 1HB CYS 9 1HB CYS 9 3.196 2.819 1.644 61 2HB CYS 9 2HB CYS 9 4.012 2.987 3.194 62 H ASP 10 H ASP 10 1.877 1.778 5.101 63 HA ASP 10 HA ASP 10 2.182 3.735 7.350 64 1HB ASP 10 1HB ASP 10 0.082 2.363 7.263 65 2HB ASP 10 2HB ASP 10 1.064 0.909 7.517 66 HD2 ASP 10 HD2 ASP 10 1.937 2.032 10.851 67 H PHE 11 H PHE 11 2.970 0.410 6.246 68 HA PHE 11 HA PHE 11 5.777 1.050 6.382 69 1HB PHE 11 1HB PHE 11 5.601 0.161 8.623 70 2HB PHE 11 2HB PHE 11 4.631 -1.205 8.064 71 HD1 PHE 11 HD1 PHE 11 5.789 -3.253 8.035 72 HD2 PHE 11 HD2 PHE 11 7.980 0.376 7.240 73 HE1 PHE 11 HE1 PHE 11 7.820 -4.580 7.565 74 HE2 PHE 11 HE2 PHE 11 9.993 -0.965 6.698 75 HZ PHE 11 HZ PHE 11 9.912 -3.446 6.835 76 H CYS 12 H CYS 12 6.956 -0.166 4.930 77 HA CYS 12 HA CYS 12 5.507 -2.081 3.241 78 1HB CYS 12 1HB CYS 12 6.886 -0.739 1.355 79 2HB CYS 12 2HB CYS 12 5.216 -0.459 1.786 80 HA PRO 13 HA PRO 13 9.624 -3.892 3.997 81 1HB PRO 13 1HB PRO 13 8.903 -6.520 3.998 82 2HB PRO 13 2HB PRO 13 8.624 -5.455 5.401 83 1HG PRO 13 1HG PRO 13 6.654 -6.196 3.224 84 2HG PRO 13 2HG PRO 13 6.402 -6.262 4.993 85 1HD PRO 13 1HD PRO 13 5.574 -4.184 3.461 86 2HD PRO 13 2HD PRO 13 6.178 -3.907 5.122 87 H CYS 14 H CYS 14 10.881 -5.411 2.645 88 HA CYS 14 HA CYS 14 9.899 -5.693 -0.133 89 1HB CYS 14 1HB CYS 14 12.683 -4.861 0.728 90 2HB CYS 14 2HB CYS 14 12.147 -5.090 -0.925 91 H THR 15 H THR 15 10.891 -7.324 -1.324 92 HA THR 15 HA THR 15 11.346 -9.770 0.226 93 HB THR 15 HB THR 15 11.132 -10.800 -2.054 94 HG1 THR 15 HG1 THR 15 10.518 -8.149 -2.861 95 1HG2 THR 15 1HG2 THR 15 9.121 -10.500 -0.634 96 2HG2 THR 15 2HG2 THR 15 8.860 -8.886 -1.331 97 3HG2 THR 15 3HG2 THR 15 8.738 -10.328 -2.356 98 H ARG 16 H ARG 16 13.128 -11.201 -0.365 99 HA ARG 16 HA ARG 16 15.654 -9.700 -0.935 100 1HB ARG 16 1HB ARG 16 15.122 -12.311 0.517 101 2HB ARG 16 2HB ARG 16 16.708 -11.546 0.284 102 1HG ARG 16 1HG ARG 16 15.953 -9.562 1.559 103 2HG ARG 16 2HG ARG 16 14.390 -10.338 1.861 104 1HD ARG 16 1HD ARG 16 17.101 -11.411 2.780 105 2HD ARG 16 2HD ARG 16 15.942 -10.532 3.768 106 HE ARG 16 HE ARG 16 14.473 -12.310 3.835 107 1HH1 ARG 16 1HH1 ARG 16 17.290 -13.216 1.843 108 2HH1 ARG 16 2HH1 ARG 16 16.948 -14.922 1.949 109 1HH2 ARG 16 1HH2 ARG 16 14.055 -14.533 3.936 110 2HH2 ARG 16 2HH2 ARG 16 15.099 -15.671 3.127 111 H SER 17 H SER 17 13.877 -10.541 -3.069 112 HA SER 17 HA SER 17 15.202 -12.802 -4.389 113 1HB SER 17 1HB SER 17 13.394 -12.073 -6.139 114 2HB SER 17 2HB SER 17 12.892 -12.851 -4.636 115 HG SER 17 HG SER 17 11.660 -10.987 -5.074 116 H ILE 18 H ILE 18 15.466 -12.298 -6.809 117 HA ILE 18 HA ILE 18 17.072 -9.834 -7.200 118 HB ILE 18 HB ILE 18 18.503 -11.598 -6.590 119 1HG1 ILE 18 1HG1 ILE 18 20.017 -11.751 -8.501 120 2HG1 ILE 18 2HG1 ILE 18 18.737 -11.256 -9.615 121 1HG2 ILE 18 1HG2 ILE 18 17.490 -13.388 -8.824 122 2HG2 ILE 18 2HG2 ILE 18 18.824 -13.691 -7.718 123 3HG2 ILE 18 3HG2 ILE 18 17.180 -13.601 -7.089 124 1HD1 ILE 18 1HD1 ILE 18 19.706 -9.533 -7.290 125 2HD1 ILE 18 2HD1 ILE 18 20.379 -9.445 -8.930 126 3HD1 ILE 18 3HD1 ILE 18 18.681 -9.031 -8.658 127 HA PRO 19 HA PRO 19 16.521 -8.021 -8.201 128 1HB PRO 19 1HB PRO 19 14.566 -6.375 -9.060 129 2HB PRO 19 2HB PRO 19 15.919 -6.892 -10.107 130 1HG PRO 19 1HG PRO 19 13.136 -8.098 -9.986 131 2HG PRO 19 2HG PRO 19 14.029 -7.555 -11.436 132 1HD PRO 19 1HD PRO 19 14.038 -10.162 -10.646 133 2HD PRO 19 2HD PRO 19 15.508 -9.407 -11.324 134 HA PRO 20 HA PRO 20 13.562 -8.406 -4.774 135 1HB PRO 20 1HB PRO 20 14.169 -6.260 -3.268 136 2HB PRO 20 2HB PRO 20 15.346 -7.579 -3.535 137 1HG PRO 20 1HG PRO 20 15.187 -4.937 -5.018 138 2HG PRO 20 2HG PRO 20 16.623 -5.681 -4.256 139 1HD PRO 20 1HD PRO 20 16.051 -5.960 -6.930 140 2HD PRO 20 2HD PRO 20 16.831 -7.266 -5.985 141 H GLN 21 H GLN 21 11.453 -7.820 -4.460 142 HA GLN 21 HA GLN 21 10.374 -5.355 -5.762 143 1HB GLN 21 1HB GLN 21 9.064 -7.972 -4.892 144 2HB GLN 21 2HB GLN 21 8.225 -6.558 -5.514 145 1HG GLN 21 1HG GLN 21 8.517 -7.305 -7.599 146 2HG GLN 21 2HG GLN 21 10.252 -7.057 -7.438 147 1HE2 GLN 21 1HE2 GLN 21 11.607 -8.907 -6.817 148 2HE2 GLN 21 2HE2 GLN 21 11.002 -10.528 -7.065 149 H CYS 22 H CYS 22 8.731 -4.237 -4.516 150 HA CYS 22 HA CYS 22 8.865 -4.557 -1.567 151 1HB CYS 22 1HB CYS 22 9.090 -1.983 -3.112 152 2HB CYS 22 2HB CYS 22 8.896 -2.100 -1.364 153 H GLN 23 H GLN 23 7.051 -4.088 -0.504 154 HA GLN 23 HA GLN 23 4.586 -3.350 -2.006 155 1HB GLN 23 1HB GLN 23 4.881 -5.904 -0.357 156 2HB GLN 23 2HB GLN 23 3.429 -5.335 -1.199 157 1HG GLN 23 1HG GLN 23 4.647 -5.562 -3.378 158 2HG GLN 23 2HG GLN 23 6.036 -6.235 -2.503 159 1HE2 GLN 23 1HE2 GLN 23 5.937 -8.196 -3.675 160 2HE2 GLN 23 2HE2 GLN 23 4.704 -9.390 -3.332 161 H CYS 24 H CYS 24 2.706 -3.327 -0.316 162 HA CYS 24 HA CYS 24 3.664 -2.069 2.225 163 1HB CYS 24 1HB CYS 24 1.114 -1.857 0.646 164 2HB CYS 24 2HB CYS 24 1.187 -1.426 2.337 165 H THR 25 H THR 25 2.860 -2.760 4.164 166 HA THR 25 HA THR 25 1.156 -5.228 4.199 167 HB THR 25 HB THR 25 3.227 -5.617 5.353 168 HG1 THR 25 HG1 THR 25 1.224 -6.344 6.261 169 1HG2 THR 25 1HG2 THR 25 3.716 -4.263 7.435 170 2HG2 THR 25 2HG2 THR 25 4.040 -3.464 5.892 171 3HG2 THR 25 3HG2 THR 25 2.585 -3.032 6.824 172 H ASP 26 H ASP 26 1.222 -1.830 4.502 173 HA ASP 26 HA ASP 26 -0.715 -1.254 6.399 174 1HB ASP 26 1HB ASP 26 0.669 0.352 5.244 175 2HB ASP 26 2HB ASP 26 -0.138 0.016 3.700 176 HD2 ASP 26 HD2 ASP 26 -2.599 1.773 6.369 177 H VAL 27 H VAL 27 -2.796 -0.793 6.257 178 HA VAL 27 HA VAL 27 -4.557 -1.535 4.055 179 HB VAL 27 HB VAL 27 -4.700 -2.820 6.823 180 1HG1 VAL 27 1HG1 VAL 27 -6.828 -3.922 5.749 181 2HG1 VAL 27 2HG1 VAL 27 -6.926 -2.301 6.456 182 3HG1 VAL 27 3HG1 VAL 27 -6.832 -2.489 4.706 183 1HG2 VAL 27 1HG2 VAL 27 -4.838 -4.948 5.368 184 2HG2 VAL 27 2HG2 VAL 27 -4.257 -3.934 4.033 185 3HG2 VAL 27 3HG2 VAL 27 -3.273 -4.146 5.482 186 H ARG 28 H ARG 28 -6.509 -0.304 4.205 187 HA ARG 28 HA ARG 28 -6.865 1.588 6.424 188 1HB ARG 28 1HB ARG 28 -4.990 2.349 4.648 189 2HB ARG 28 2HB ARG 28 -6.370 2.710 3.644 190 1HG ARG 28 1HG ARG 28 -6.452 4.713 4.670 191 2HG ARG 28 2HG ARG 28 -7.023 3.903 6.136 192 1HD ARG 28 1HD ARG 28 -4.144 4.525 5.363 193 2HD ARG 28 2HD ARG 28 -5.113 5.296 6.631 194 HE ARG 28 HE ARG 28 -4.702 2.367 6.834 195 1HH1 ARG 28 1HH1 ARG 28 -3.607 5.592 7.947 196 2HH1 ARG 28 2HH1 ARG 28 -2.701 4.931 9.272 197 1HH2 ARG 28 1HH2 ARG 28 -3.440 1.555 8.520 198 2HH2 ARG 28 2HH2 ARG 28 -2.527 2.633 9.551 199 H GLU 29 H GLU 29 -8.465 3.395 4.714 200 HA GLU 29 HA GLU 29 -10.623 1.673 3.740 201 1HB GLU 29 1HB GLU 29 -11.049 3.800 4.953 202 2HB GLU 29 2HB GLU 29 -10.219 4.707 3.695 203 1HG GLU 29 1HG GLU 29 -12.693 4.713 3.591 204 2HG GLU 29 2HG GLU 29 -11.953 4.135 2.094 205 HE2 GLU 29 HE2 GLU 29 -14.075 1.538 4.387 206 H LYS 30 H LYS 30 -9.996 4.321 1.617 207 HA LYS 30 HA LYS 30 -9.288 2.476 -0.455 208 1HB LYS 30 1HB LYS 30 -9.088 5.499 -0.506 209 2HB LYS 30 2HB LYS 30 -9.132 4.411 -1.885 210 1HG LYS 30 1HG LYS 30 -11.427 4.991 0.017 211 2HG LYS 30 2HG LYS 30 -11.271 5.419 -1.688 212 1HD LYS 30 1HD LYS 30 -11.174 2.907 -2.209 213 2HD LYS 30 2HD LYS 30 -11.571 2.619 -0.504 214 1HE LYS 30 1HE LYS 30 -13.611 2.477 -1.729 215 2HE LYS 30 2HE LYS 30 -13.660 3.984 -0.799 216 1HZ LYS 30 1HZ LYS 30 -13.023 5.139 -2.813 217 2HZ LYS 30 2HZ LYS 30 -12.983 3.720 -3.651 218 3HZ LYS 30 3HZ LYS 30 -14.409 4.281 -3.046 219 H CYS 31 H CYS 31 -7.504 2.638 -1.845 220 HA CYS 31 HA CYS 31 -4.951 2.561 -0.456 221 1HB CYS 31 1HB CYS 31 -4.202 1.709 -2.720 222 2HB CYS 31 2HB CYS 31 -5.308 0.723 -1.789 223 H HIS 32 H HIS 32 -3.024 3.467 -1.571 224 HA HIS 32 HA HIS 32 -3.433 6.267 -1.508 225 1HB HIS 32 1HB HIS 32 -1.048 6.501 -1.692 226 2HB HIS 32 2HB HIS 32 -1.501 5.311 -0.527 227 HD1 HIS 32 HD1 HIS 32 0.172 5.652 -3.920 228 HD2 HIS 32 HD2 HIS 32 -0.582 2.767 -0.975 229 HE1 HIS 32 HE1 HIS 32 1.438 3.559 -4.606 230 HE2 HIS 32 HE2 HIS 32 1.046 1.787 -2.786 231 H SER 33 H SER 33 -2.271 7.759 -2.895 232 HA SER 33 HA SER 33 -3.706 8.196 -5.207 233 1HB SER 33 1HB SER 33 -2.495 9.911 -3.926 234 2HB SER 33 2HB SER 33 -0.966 9.286 -4.571 235 HG SER 33 HG SER 33 -1.842 9.766 -6.682 236 H ALA 34 H ALA 34 -0.602 6.626 -4.898 237 HA ALA 34 HA ALA 34 -0.384 6.241 -7.858 238 1HB ALA 34 1HB ALA 34 1.485 7.440 -6.715 239 2HB ALA 34 2HB ALA 34 1.744 5.995 -5.699 240 3HB ALA 34 3HB ALA 34 2.021 5.917 -7.446 241 H CYS 35 H CYS 35 -2.041 4.576 -5.976 242 HA CYS 35 HA CYS 35 -0.670 1.954 -6.170 243 1HB CYS 35 1HB CYS 35 -1.926 2.585 -4.086 244 2HB CYS 35 2HB CYS 35 -3.407 2.571 -5.049 245 H LYS 36 H LYS 36 -1.054 0.638 -7.903 246 HA LYS 36 HA LYS 36 -3.059 1.522 -9.898 247 1HB LYS 36 1HB LYS 36 -0.467 1.223 -10.282 248 2HB LYS 36 2HB LYS 36 -0.881 -0.483 -10.474 249 1HG LYS 36 1HG LYS 36 -2.583 0.164 -12.210 250 2HG LYS 36 2HG LYS 36 -2.116 1.861 -11.993 251 1HD LYS 36 1HD LYS 36 0.235 1.250 -12.685 252 2HD LYS 36 2HD LYS 36 -0.334 -0.401 -12.984 253 1HE LYS 36 1HE LYS 36 -0.296 0.745 -15.098 254 2HE LYS 36 2HE LYS 36 -1.995 0.524 -14.652 255 1HZ LYS 36 1HZ LYS 36 -0.439 2.991 -14.262 256 2HZ LYS 36 2HZ LYS 36 -1.503 2.720 -15.489 257 3HZ LYS 36 3HZ LYS 36 -2.043 2.796 -13.937 258 H SER 37 H SER 37 -1.825 -1.394 -8.314 259 HA SER 37 HA SER 37 -4.357 -2.871 -8.946 260 1HB SER 37 1HB SER 37 -2.172 -3.949 -9.533 261 2HB SER 37 2HB SER 37 -1.754 -3.984 -7.819 262 HG SER 37 HG SER 37 -3.707 -5.220 -7.528 263 H CYS 38 H CYS 38 -5.755 -3.177 -7.292 264 HA CYS 38 HA CYS 38 -4.993 -2.675 -4.473 265 1HB CYS 38 1HB CYS 38 -5.346 -0.498 -5.540 266 2HB CYS 38 2HB CYS 38 -6.934 -0.997 -6.113 267 H LEU 39 H LEU 39 -6.417 -3.626 -3.021 268 HA LEU 39 HA LEU 39 -8.747 -5.119 -4.006 269 1HB LEU 39 1HB LEU 39 -6.609 -6.414 -4.592 270 2HB LEU 39 2HB LEU 39 -6.295 -6.531 -2.861 271 HG LEU 39 HG LEU 39 -8.390 -7.850 -2.578 272 1HD1 LEU 39 1HD1 LEU 39 -9.836 -7.057 -4.350 273 2HD1 LEU 39 2HD1 LEU 39 -8.639 -7.480 -5.595 274 3HD1 LEU 39 3HD1 LEU 39 -9.478 -8.752 -4.685 275 1HD2 LEU 39 1HD2 LEU 39 -7.580 -9.872 -3.648 276 2HD2 LEU 39 2HD2 LEU 39 -6.592 -8.927 -4.784 277 3HD2 LEU 39 3HD2 LEU 39 -6.197 -8.936 -3.054 278 H CYS 40 H CYS 40 -9.886 -6.228 -2.168 279 HA CYS 40 HA CYS 40 -9.299 -4.915 0.454 280 1HB CYS 40 1HB CYS 40 -12.023 -5.488 -0.722 281 2HB CYS 40 2HB CYS 40 -11.686 -4.573 0.742 282 H THR 41 H THR 41 -10.459 -5.959 2.306 283 HA THR 41 HA THR 41 -10.296 -8.926 2.057 284 HB THR 41 HB THR 41 -8.910 -8.053 3.840 285 HG1 THR 41 HG1 THR 41 -9.983 -10.035 4.076 286 1HG2 THR 41 1HG2 THR 41 -9.947 -7.088 5.870 287 2HG2 THR 41 2HG2 THR 41 -10.057 -6.002 4.478 288 3HG2 THR 41 3HG2 THR 41 -11.490 -6.921 5.010 289 H ARG 42 H ARG 42 -12.036 -10.169 2.787 290 HA ARG 42 HA ARG 42 -14.680 -8.924 2.387 291 1HB ARG 42 1HB ARG 42 -15.451 -11.174 2.077 292 2HB ARG 42 2HB ARG 42 -14.070 -10.851 1.021 293 1HG ARG 42 1HG ARG 42 -12.589 -12.118 2.487 294 2HG ARG 42 2HG ARG 42 -13.897 -12.334 3.677 295 1HD ARG 42 1HD ARG 42 -15.228 -13.556 2.018 296 2HD ARG 42 2HD ARG 42 -13.924 -13.382 0.817 297 HE ARG 42 HE ARG 42 -12.658 -14.536 2.961 298 1HH1 ARG 42 1HH1 ARG 42 -15.507 -15.411 1.032 299 2HH1 ARG 42 2HH1 ARG 42 -15.327 -17.125 1.307 300 1HH2 ARG 42 1HH2 ARG 42 -12.421 -16.785 3.303 301 2HH2 ARG 42 2HH2 ARG 42 -13.555 -17.910 2.599 302 H SER 43 H SER 43 -12.857 -8.926 5.021 303 HA SER 43 HA SER 43 -14.340 -10.325 6.975 304 1HB SER 43 1HB SER 43 -12.652 -7.818 7.304 305 2HB SER 43 2HB SER 43 -13.035 -9.027 8.528 306 HG SER 43 HG SER 43 -11.457 -9.445 6.209 307 H PHE 44 H PHE 44 -15.322 -9.002 8.849 308 HA PHE 44 HA PHE 44 -17.011 -6.741 7.889 309 1HB PHE 44 1HB PHE 44 -18.407 -8.674 8.178 310 2HB PHE 44 2HB PHE 44 -17.789 -8.938 9.806 311 HD1 PHE 44 HD1 PHE 44 -19.672 -6.504 7.657 312 HD2 PHE 44 HD2 PHE 44 -18.741 -7.752 11.682 313 HE1 PHE 44 HE1 PHE 44 -21.379 -4.937 8.544 314 HE2 PHE 44 HE2 PHE 44 -20.459 -6.194 12.557 315 HZ PHE 44 HZ PHE 44 -21.773 -4.779 10.993 316 HA PRO 45 HA PRO 45 -16.985 -4.636 8.225 317 1HB PRO 45 1HB PRO 45 -15.442 -2.425 8.402 318 2HB PRO 45 2HB PRO 45 -16.766 -2.785 9.547 319 1HG PRO 45 1HG PRO 45 -13.816 -3.363 9.955 320 2HG PRO 45 2HG PRO 45 -14.925 -2.493 11.053 321 1HD PRO 45 1HD PRO 45 -14.381 -5.160 11.326 322 2HD PRO 45 2HD PRO 45 -16.011 -4.512 11.663 323 HA PRO 46 HA PRO 46 -13.597 -5.670 5.291 324 1HB PRO 46 1HB PRO 46 -14.579 -4.641 3.003 325 2HB PRO 46 2HB PRO 46 -15.371 -6.014 3.827 326 1HG PRO 46 1HG PRO 46 -16.147 -3.088 3.986 327 2HG PRO 46 2HG PRO 46 -17.198 -4.494 3.662 328 1HD PRO 46 1HD PRO 46 -16.904 -3.399 6.175 329 2HD PRO 46 2HD PRO 46 -17.182 -5.147 5.910 330 H GLN 47 H GLN 47 -11.674 -4.670 5.011 331 HA GLN 47 HA GLN 47 -11.479 -1.696 4.807 332 1HB GLN 47 1HB GLN 47 -9.657 -3.829 6.010 333 2HB GLN 47 2HB GLN 47 -9.099 -2.235 5.524 334 1HG GLN 47 1HG GLN 47 -9.528 -2.201 7.893 335 2HG GLN 47 2HG GLN 47 -10.659 -1.131 7.057 336 1HE2 GLN 47 1HE2 GLN 47 -10.387 -4.558 8.216 337 2HE2 GLN 47 2HE2 GLN 47 -12.074 -4.692 8.675 338 H CYS 48 H CYS 48 -9.955 -0.931 3.205 339 HA CYS 48 HA CYS 48 -9.356 -2.904 1.066 340 1HB CYS 48 1HB CYS 48 -10.295 -0.064 0.906 341 2HB CYS 48 2HB CYS 48 -9.544 -0.917 -0.436 342 H ARG 49 H ARG 49 -7.521 -2.539 -0.213 343 HA ARG 49 HA ARG 49 -5.180 -1.659 1.412 344 1HB ARG 49 1HB ARG 49 -5.540 -4.420 0.249 345 2HB ARG 49 2HB ARG 49 -4.378 -3.868 1.457 346 1HG ARG 49 1HG ARG 49 -6.223 -3.646 3.061 347 2HG ARG 49 2HG ARG 49 -7.401 -4.202 1.870 348 1HD ARG 49 1HD ARG 49 -5.003 -5.900 2.588 349 2HD ARG 49 2HD ARG 49 -6.490 -5.903 3.535 350 HE ARG 49 HE ARG 49 -7.724 -6.836 1.824 351 1HH1 ARG 49 1HH1 ARG 49 -4.366 -6.403 0.708 352 2HH1 ARG 49 2HH1 ARG 49 -4.562 -7.492 -0.638 353 1HH2 ARG 49 1HH2 ARG 49 -7.975 -8.151 -0.012 354 2HH2 ARG 49 2HH2 ARG 49 -6.612 -8.479 -1.046 355 H CYS 50 H CYS 50 -3.242 -1.416 0.145 356 HA CYS 50 HA CYS 50 -3.612 -1.352 -2.779 357 1HB CYS 50 1HB CYS 50 -2.394 0.482 -1.603 358 2HB CYS 50 2HB CYS 50 -1.154 -0.684 -1.120 359 H TYR 51 H TYR 51 -2.754 -2.841 -4.195 360 HA TYR 51 HA TYR 51 -1.378 -5.246 -3.084 361 1HB TYR 51 1HB TYR 51 -3.641 -5.437 -4.284 362 2HB TYR 51 2HB TYR 51 -2.812 -4.923 -5.731 363 HD1 TYR 51 HD1 TYR 51 -1.162 -6.393 -6.867 364 HD2 TYR 51 HD2 TYR 51 -3.284 -7.675 -3.333 365 HE1 TYR 51 HE1 TYR 51 -0.409 -8.715 -7.256 366 HE2 TYR 51 HE2 TYR 51 -2.569 -10.011 -3.762 367 HH TYR 51 HH TYR 51 -0.434 -10.887 -6.500 368 H ASP 52 H ASP 52 -1.121 -2.492 -5.223 369 HA ASP 52 HA ASP 52 0.470 -3.221 -7.246 370 1HB ASP 52 1HB ASP 52 -0.518 -0.981 -6.836 371 2HB ASP 52 2HB ASP 52 0.736 -0.654 -5.633 372 HD2 ASP 52 HD2 ASP 52 1.992 -0.970 -9.491 373 H ILE 53 H ILE 53 2.595 -3.372 -7.787 374 HA ILE 53 HA ILE 53 4.511 -3.977 -5.590 375 HB ILE 53 HB ILE 53 4.605 -4.767 -8.529 376 1HG1 ILE 53 1HG1 ILE 53 2.581 -5.778 -7.687 377 2HG1 ILE 53 2HG1 ILE 53 3.826 -6.997 -7.921 378 1HG2 ILE 53 1HG2 ILE 53 6.096 -5.795 -6.083 379 2HG2 ILE 53 2HG2 ILE 53 6.183 -6.508 -7.707 380 3HG2 ILE 53 3HG2 ILE 53 6.775 -4.866 -7.429 381 1HD1 ILE 53 1HD1 ILE 53 3.093 -5.773 -5.225 382 2HD1 ILE 53 2HD1 ILE 53 2.549 -7.342 -5.836 383 3HD1 ILE 53 3HD1 ILE 53 4.271 -7.074 -5.515 384 H THR 54 H THR 54 6.213 -2.608 -5.346 385 HA THR 54 HA THR 54 7.129 -1.012 -7.686 386 HB THR 54 HB THR 54 7.693 0.817 -5.971 387 HG1 THR 54 HG1 THR 54 7.354 -0.211 -4.045 388 1HG2 THR 54 1HG2 THR 54 4.740 0.268 -6.418 389 2HG2 THR 54 2HG2 THR 54 5.521 1.838 -6.115 390 3HG2 THR 54 3HG2 THR 54 5.837 0.971 -7.626 391 H ASP 55 H ASP 55 9.403 -0.123 -7.176 392 HA ASP 55 HA ASP 55 11.068 -2.387 -6.256 393 1HB ASP 55 1HB ASP 55 11.480 -1.249 -8.427 394 2HB ASP 55 2HB ASP 55 11.827 0.254 -7.563 395 HD2 ASP 55 HD2 ASP 55 14.429 -2.859 -7.054 396 H PHE 56 H PHE 56 9.672 0.418 -4.940 397 HA PHE 56 HA PHE 56 11.678 0.615 -2.741 398 1HB PHE 56 1HB PHE 56 11.213 3.077 -2.808 399 2HB PHE 56 2HB PHE 56 12.047 2.465 -4.211 400 HD1 PHE 56 HD1 PHE 56 10.960 2.495 -6.436 401 HD2 PHE 56 HD2 PHE 56 8.829 3.794 -2.916 402 HE1 PHE 56 HE1 PHE 56 9.088 3.294 -7.854 403 HE2 PHE 56 HE2 PHE 56 6.968 4.589 -4.339 404 HZ PHE 56 HZ PHE 56 7.082 4.322 -6.808 405 H CYS 57 H CYS 57 10.745 1.978 -1.004 406 HA CYS 57 HA CYS 57 7.925 1.220 -0.332 407 1HB CYS 57 1HB CYS 57 9.431 0.123 1.118 408 2HB CYS 57 2HB CYS 57 10.383 1.598 1.346 409 H TYR 58 H TYR 58 6.610 2.775 0.235 410 HA TYR 58 HA TYR 58 7.092 5.492 -0.571 411 1HB TYR 58 1HB TYR 58 4.716 4.298 0.903 412 2HB TYR 58 2HB TYR 58 4.729 5.732 -0.101 413 HD1 TYR 58 HD1 TYR 58 4.632 5.628 -2.527 414 HD2 TYR 58 HD2 TYR 58 4.689 2.036 -0.139 415 HE1 TYR 58 HE1 TYR 58 3.895 4.304 -4.488 416 HE2 TYR 58 HE2 TYR 58 3.958 0.719 -2.097 417 HH TYR 58 HH TYR 58 3.474 0.754 -4.356 418 HA PRO 59 HA PRO 59 7.777 7.111 3.624 419 1HB PRO 59 1HB PRO 59 6.599 9.578 3.542 420 2HB PRO 59 2HB PRO 59 8.113 9.199 2.676 421 1HG PRO 59 1HG PRO 59 5.291 9.181 1.561 422 2HG PRO 59 2HG PRO 59 6.725 9.996 0.873 423 1HD PRO 59 1HD PRO 59 5.907 7.567 0.001 424 2HD PRO 59 2HD PRO 59 7.647 7.923 0.147 425 H SER 60 H SER 60 6.515 7.545 5.619 426 HA SER 60 HA SER 60 4.178 5.987 5.714 427 1HB SER 60 1HB SER 60 4.096 7.046 8.089 428 2HB SER 60 2HB SER 60 5.371 5.918 7.639 429 HG SER 60 HG SER 60 5.535 8.763 7.591 430 H CYS 61 H CYS 61 2.084 6.575 6.211 431 HA CYS 61 HA CYS 61 1.210 9.163 5.085 432 1HB CYS 61 1HB CYS 61 0.318 6.594 4.667 433 2HB CYS 61 2HB CYS 61 -0.875 7.182 5.800 434 H SER 62 H SER 62 -1.237 9.538 6.228 435 HA SER 62 HA SER 62 -0.775 10.085 9.110 436 1HB SER 62 1HB SER 62 -3.049 10.801 7.218 437 2HB SER 62 2HB SER 62 -2.969 11.228 8.939 438 HG SER 62 HG SER 62 -1.029 11.955 7.001 Start of MODEL 13 1 1H THR 1 1H THR 1 1.199 28.859 3.303 2 2H THR 1 2H THR 1 1.630 27.274 3.147 3 3H THR 1 3H THR 1 2.228 28.397 2.099 4 HA THR 1 HA THR 1 -0.556 27.600 2.365 5 HB THR 1 HB THR 1 -0.641 29.838 1.859 6 HG1 THR 1 HG1 THR 1 -1.980 28.584 0.565 7 1HG2 THR 1 1HG2 THR 1 1.656 30.289 1.206 8 2HG2 THR 1 2HG2 THR 1 1.425 29.412 -0.327 9 3HG2 THR 1 3HG2 THR 1 0.512 30.901 -0.001 10 H LYS 2 H LYS 2 0.059 25.391 2.186 11 HA LYS 2 HA LYS 2 -0.068 24.471 -0.507 12 1HB LYS 2 1HB LYS 2 1.954 23.053 -0.490 13 2HB LYS 2 2HB LYS 2 2.329 24.776 -0.533 14 1HG LYS 2 1HG LYS 2 2.896 24.757 1.865 15 2HG LYS 2 2HG LYS 2 2.383 23.067 1.996 16 1HD LYS 2 1HD LYS 2 4.790 23.181 1.890 17 2HD LYS 2 2HD LYS 2 4.165 22.369 0.445 18 1HE LYS 2 1HE LYS 2 4.526 24.391 -0.902 19 2HE LYS 2 2HE LYS 2 4.970 25.316 0.547 20 1HZ LYS 2 1HZ LYS 2 6.867 24.606 -0.693 21 2HZ LYS 2 2HZ LYS 2 6.864 23.885 0.788 22 3HZ LYS 2 3HZ LYS 2 6.437 23.022 -0.551 23 H SER 3 H SER 3 -0.338 22.104 -0.560 24 HA SER 3 HA SER 3 -1.380 20.970 2.004 25 1HB SER 3 1HB SER 3 -3.163 19.932 0.659 26 2HB SER 3 2HB SER 3 -3.227 21.698 0.542 27 HG SER 3 HG SER 3 -2.176 21.539 -1.465 28 H THR 4 H THR 4 -1.634 18.518 1.758 29 HA THR 4 HA THR 4 0.134 17.239 -0.161 30 HB THR 4 HB THR 4 1.749 17.777 1.576 31 HG1 THR 4 HG1 THR 4 2.377 15.612 1.981 32 1HG2 THR 4 1HG2 THR 4 1.625 16.875 3.834 33 2HG2 THR 4 2HG2 THR 4 0.237 17.939 3.558 34 3HG2 THR 4 3HG2 THR 4 0.030 16.172 3.522 35 H THR 5 H THR 5 -0.550 15.263 -0.661 36 HA THR 5 HA THR 5 -2.127 13.547 1.008 37 HB THR 5 HB THR 5 -3.951 15.046 0.474 38 HG1 THR 5 HG1 THR 5 -4.014 12.710 -1.100 39 1HG2 THR 5 1HG2 THR 5 -4.701 15.465 -1.840 40 2HG2 THR 5 2HG2 THR 5 -3.128 16.205 -1.513 41 3HG2 THR 5 3HG2 THR 5 -3.226 14.714 -2.473 42 H THR 6 H THR 6 0.311 13.207 -0.049 43 HA THR 6 HA THR 6 0.297 12.305 -2.795 44 HB THR 6 HB THR 6 2.694 11.986 -2.370 45 HG1 THR 6 HG1 THR 6 2.590 11.295 -0.220 46 1HG2 THR 6 1HG2 THR 6 1.659 14.614 -1.221 47 2HG2 THR 6 2HG2 THR 6 3.275 14.305 -1.877 48 3HG2 THR 6 3HG2 THR 6 1.860 14.233 -2.945 49 H ALA 7 H ALA 7 1.569 10.279 -3.302 50 HA ALA 7 HA ALA 7 0.360 7.868 -2.444 51 1HB ALA 7 1HB ALA 7 1.628 8.056 -4.530 52 2HB ALA 7 2HB ALA 7 3.117 8.429 -3.637 53 3HB ALA 7 3HB ALA 7 2.382 6.824 -3.488 54 H CYS 8 H CYS 8 0.477 6.900 -0.475 55 HA CYS 8 HA CYS 8 2.987 7.014 1.075 56 1HB CYS 8 1HB CYS 8 1.815 7.647 3.105 57 2HB CYS 8 2HB CYS 8 1.938 8.900 1.911 58 H CYS 9 H CYS 9 2.899 5.739 2.991 59 HA CYS 9 HA CYS 9 1.350 3.285 3.078 60 1HB CYS 9 1HB CYS 9 2.548 3.045 0.892 61 2HB CYS 9 2HB CYS 9 4.079 3.321 1.732 62 H ASP 10 H ASP 10 1.965 2.080 4.902 63 HA ASP 10 HA ASP 10 3.906 3.428 6.722 64 1HB ASP 10 1HB ASP 10 1.632 3.371 7.518 65 2HB ASP 10 2HB ASP 10 1.507 1.632 7.230 66 HD2 ASP 10 HD2 ASP 10 2.852 0.808 10.293 67 H PHE 11 H PHE 11 2.645 0.057 6.232 68 HA PHE 11 HA PHE 11 5.312 -1.070 6.795 69 1HB PHE 11 1HB PHE 11 2.733 -2.415 5.996 70 2HB PHE 11 2HB PHE 11 4.194 -3.190 6.607 71 HD1 PHE 11 HD1 PHE 11 4.977 -1.913 9.012 72 HD2 PHE 11 HD2 PHE 11 0.981 -2.598 7.532 73 HE1 PHE 11 HE1 PHE 11 4.106 -1.895 11.325 74 HE2 PHE 11 HE2 PHE 11 0.117 -2.552 9.836 75 HZ PHE 11 HZ PHE 11 1.667 -2.166 11.750 76 H CYS 12 H CYS 12 6.673 -0.833 5.119 77 HA CYS 12 HA CYS 12 5.781 -1.494 2.350 78 1HB CYS 12 1HB CYS 12 7.361 0.154 1.563 79 2HB CYS 12 2HB CYS 12 6.101 0.873 2.558 80 HA PRO 13 HA PRO 13 9.408 -4.163 3.710 81 1HB PRO 13 1HB PRO 13 8.323 -6.653 3.516 82 2HB PRO 13 2HB PRO 13 8.093 -5.624 4.961 83 1HG PRO 13 1HG PRO 13 6.213 -5.912 2.593 84 2HG PRO 13 2HG PRO 13 5.815 -6.106 4.328 85 1HD PRO 13 1HD PRO 13 5.381 -3.757 3.052 86 2HD PRO 13 2HD PRO 13 6.028 -3.783 4.721 87 H CYS 14 H CYS 14 10.657 -5.573 2.313 88 HA CYS 14 HA CYS 14 9.741 -5.771 -0.496 89 1HB CYS 14 1HB CYS 14 12.558 -5.107 0.408 90 2HB CYS 14 2HB CYS 14 11.955 -5.128 -1.242 91 H THR 15 H THR 15 10.783 -7.406 -1.739 92 HA THR 15 HA THR 15 11.103 -9.874 -0.254 93 HB THR 15 HB THR 15 11.424 -10.843 -2.494 94 HG1 THR 15 HG1 THR 15 11.616 -9.608 -4.251 95 1HG2 THR 15 1HG2 THR 15 9.248 -10.380 -3.417 96 2HG2 THR 15 2HG2 THR 15 9.116 -10.375 -1.647 97 3HG2 THR 15 3HG2 THR 15 9.127 -8.841 -2.543 98 H ARG 16 H ARG 16 12.978 -11.318 -0.946 99 HA ARG 16 HA ARG 16 15.579 -9.886 -0.633 100 1HB ARG 16 1HB ARG 16 16.399 -11.967 0.246 101 2HB ARG 16 2HB ARG 16 15.010 -11.378 1.179 102 1HG ARG 16 1HG ARG 16 13.542 -13.021 0.055 103 2HG ARG 16 2HG ARG 16 14.905 -13.585 -0.933 104 1HD ARG 16 1HD ARG 16 16.103 -14.285 1.105 105 2HD ARG 16 2HD ARG 16 14.747 -13.713 2.105 106 HE ARG 16 HE ARG 16 13.692 -15.500 0.202 107 1HH1 ARG 16 1HH1 ARG 16 15.931 -15.621 2.952 108 2HH1 ARG 16 2HH1 ARG 16 15.541 -17.270 3.364 109 1HH2 ARG 16 1HH2 ARG 16 13.178 -17.659 0.753 110 2HH2 ARG 16 2HH2 ARG 16 13.963 -18.437 2.103 111 H SER 17 H SER 17 13.790 -10.823 -3.127 112 HA SER 17 HA SER 17 15.529 -12.591 -4.580 113 1HB SER 17 1HB SER 17 13.985 -11.991 -6.466 114 2HB SER 17 2HB SER 17 13.195 -12.613 -5.032 115 HG SER 17 HG SER 17 13.405 -9.916 -5.894 116 H ILE 18 H ILE 18 16.152 -11.935 -6.800 117 HA ILE 18 HA ILE 18 17.581 -9.334 -6.882 118 HB ILE 18 HB ILE 18 19.083 -10.985 -6.172 119 1HG1 ILE 18 1HG1 ILE 18 20.805 -10.962 -7.921 120 2HG1 ILE 18 2HG1 ILE 18 19.610 -10.513 -9.143 121 1HG2 ILE 18 1HG2 ILE 18 19.717 -13.001 -7.318 122 2HG2 ILE 18 2HG2 ILE 18 18.016 -13.078 -6.868 123 3HG2 ILE 18 3HG2 ILE 18 18.484 -12.770 -8.554 124 1HD1 ILE 18 1HD1 ILE 18 21.021 -8.616 -8.285 125 2HD1 ILE 18 2HD1 ILE 18 19.285 -8.338 -8.095 126 3HD1 ILE 18 3HD1 ILE 18 20.269 -8.819 -6.689 127 HA PRO 19 HA PRO 19 17.086 -7.503 -7.921 128 1HB PRO 19 1HB PRO 19 15.051 -5.993 -8.898 129 2HB PRO 19 2HB PRO 19 16.567 -6.295 -9.794 130 1HG PRO 19 1HG PRO 19 13.923 -7.752 -10.085 131 2HG PRO 19 2HG PRO 19 14.948 -7.065 -11.383 132 1HD PRO 19 1HD PRO 19 15.059 -9.703 -10.704 133 2HD PRO 19 2HD PRO 19 16.538 -8.811 -11.162 134 HA PRO 20 HA PRO 20 13.781 -8.112 -4.881 135 1HB PRO 20 1HB PRO 20 14.079 -5.979 -3.261 136 2HB PRO 20 2HB PRO 20 15.331 -7.249 -3.394 137 1HG PRO 20 1HG PRO 20 15.272 -4.567 -4.788 138 2HG PRO 20 2HG PRO 20 16.635 -5.313 -3.917 139 1HD PRO 20 1HD PRO 20 16.325 -5.467 -6.665 140 2HD PRO 20 2HD PRO 20 17.109 -6.754 -5.701 141 H GLN 21 H GLN 21 11.666 -7.514 -4.578 142 HA GLN 21 HA GLN 21 10.531 -5.184 -6.074 143 1HB GLN 21 1HB GLN 21 9.529 -7.997 -5.506 144 2HB GLN 21 2HB GLN 21 8.429 -6.658 -5.819 145 1HG GLN 21 1HG GLN 21 8.860 -7.906 -7.878 146 2HG GLN 21 2HG GLN 21 9.413 -6.232 -8.001 147 1HE2 GLN 21 1HE2 GLN 21 10.765 -9.398 -6.835 148 2HE2 GLN 21 2HE2 GLN 21 12.307 -9.200 -7.648 149 H CYS 22 H CYS 22 9.543 -3.705 -4.778 150 HA CYS 22 HA CYS 22 9.167 -4.323 -1.879 151 1HB CYS 22 1HB CYS 22 9.484 -1.726 -3.331 152 2HB CYS 22 2HB CYS 22 9.091 -1.868 -1.621 153 H GLN 23 H GLN 23 7.246 -3.886 -0.915 154 HA GLN 23 HA GLN 23 4.878 -3.316 -2.613 155 1HB GLN 23 1HB GLN 23 5.261 -5.831 -0.922 156 2HB GLN 23 2HB GLN 23 3.783 -5.366 -1.784 157 1HG GLN 23 1HG GLN 23 4.977 -5.529 -3.943 158 2HG GLN 23 2HG GLN 23 6.452 -6.046 -3.109 159 1HE2 GLN 23 1HE2 GLN 23 6.414 -8.062 -1.856 160 2HE2 GLN 23 2HE2 GLN 23 5.327 -9.342 -2.356 161 H CYS 24 H CYS 24 2.959 -2.976 -1.311 162 HA CYS 24 HA CYS 24 3.591 -1.924 1.413 163 1HB CYS 24 1HB CYS 24 1.625 -1.119 -0.710 164 2HB CYS 24 2HB CYS 24 1.358 -0.707 0.986 165 H THR 25 H THR 25 2.906 -3.075 3.030 166 HA THR 25 HA THR 25 0.544 -4.889 2.736 167 HB THR 25 HB THR 25 1.477 -6.136 4.594 168 HG1 THR 25 HG1 THR 25 2.580 -4.556 5.690 169 1HG2 THR 25 1HG2 THR 25 2.202 -6.709 2.276 170 2HG2 THR 25 2HG2 THR 25 3.625 -5.662 2.478 171 3HG2 THR 25 3HG2 THR 25 3.432 -7.096 3.504 172 H ASP 26 H ASP 26 0.738 -1.868 3.281 173 HA ASP 26 HA ASP 26 -0.395 -1.619 5.939 174 1HB ASP 26 1HB ASP 26 0.832 0.231 4.988 175 2HB ASP 26 2HB ASP 26 -0.289 0.309 3.607 176 HD2 ASP 26 HD2 ASP 26 -1.763 1.403 7.248 177 H VAL 27 H VAL 27 -2.503 -1.115 6.335 178 HA VAL 27 HA VAL 27 -4.595 -1.823 4.363 179 HB VAL 27 HB VAL 27 -4.208 -3.259 7.031 180 1HG1 VAL 27 1HG1 VAL 27 -6.561 -3.034 6.653 181 2HG1 VAL 27 2HG1 VAL 27 -6.400 -3.349 4.919 182 3HG1 VAL 27 3HG1 VAL 27 -6.146 -4.661 6.085 183 1HG2 VAL 27 1HG2 VAL 27 -3.853 -4.225 4.165 184 2HG2 VAL 27 2HG2 VAL 27 -2.634 -4.186 5.452 185 3HG2 VAL 27 3HG2 VAL 27 -3.987 -5.308 5.567 186 H ARG 28 H ARG 28 -6.319 -0.482 4.615 187 HA ARG 28 HA ARG 28 -7.098 0.705 7.111 188 1HB ARG 28 1HB ARG 28 -4.832 1.913 5.987 189 2HB ARG 28 2HB ARG 28 -6.135 2.918 5.384 190 1HG ARG 28 1HG ARG 28 -6.969 3.171 7.745 191 2HG ARG 28 2HG ARG 28 -5.681 2.091 8.306 192 1HD ARG 28 1HD ARG 28 -5.014 4.418 8.690 193 2HD ARG 28 2HD ARG 28 -3.963 3.664 7.496 194 HE ARG 28 HE ARG 28 -4.712 5.087 5.878 195 1HH1 ARG 28 1HH1 ARG 28 -6.833 5.431 8.712 196 2HH1 ARG 28 2HH1 ARG 28 -7.801 6.686 7.982 197 1HH2 ARG 28 1HH2 ARG 28 -5.996 6.707 4.949 198 2HH2 ARG 28 2HH2 ARG 28 -7.332 7.407 5.834 199 H GLU 29 H GLU 29 -8.218 3.127 5.860 200 HA GLU 29 HA GLU 29 -10.664 2.102 4.974 201 1HB GLU 29 1HB GLU 29 -10.399 4.264 6.002 202 2HB GLU 29 2HB GLU 29 -9.356 4.841 4.709 203 1HG GLU 29 1HG GLU 29 -11.676 5.705 4.609 204 2HG GLU 29 2HG GLU 29 -11.190 4.865 3.134 205 HE2 GLU 29 HE2 GLU 29 -13.889 3.034 5.582 206 H LYS 30 H LYS 30 -8.810 4.248 2.830 207 HA LYS 30 HA LYS 30 -9.218 2.387 0.561 208 1HB LYS 30 1HB LYS 30 -9.188 4.414 -0.791 209 2HB LYS 30 2HB LYS 30 -10.512 4.378 0.368 210 1HG LYS 30 1HG LYS 30 -9.432 6.054 1.757 211 2HG LYS 30 2HG LYS 30 -7.899 5.858 0.892 212 1HD LYS 30 1HD LYS 30 -8.889 7.906 0.188 213 2HD LYS 30 2HD LYS 30 -8.911 6.769 -1.168 214 1HE LYS 30 1HE LYS 30 -11.315 6.327 -0.779 215 2HE LYS 30 2HE LYS 30 -11.288 7.368 0.658 216 1HZ LYS 30 1HZ LYS 30 -10.732 9.204 -0.761 217 2HZ LYS 30 2HZ LYS 30 -10.764 8.239 -2.096 218 3HZ LYS 30 3HZ LYS 30 -12.146 8.508 -1.239 219 H CYS 31 H CYS 31 -7.713 2.799 -1.209 220 HA CYS 31 HA CYS 31 -4.913 2.745 -0.323 221 1HB CYS 31 1HB CYS 31 -4.655 1.832 -2.706 222 2HB CYS 31 2HB CYS 31 -5.343 0.826 -1.432 223 H HIS 32 H HIS 32 -3.296 3.710 -1.722 224 HA HIS 32 HA HIS 32 -4.045 6.488 -2.129 225 1HB HIS 32 1HB HIS 32 -1.688 6.954 -2.098 226 2HB HIS 32 2HB HIS 32 -2.193 6.032 -0.728 227 HD1 HIS 32 HD1 HIS 32 0.173 5.993 -3.615 228 HD2 HIS 32 HD2 HIS 32 -1.239 3.378 -0.645 229 HE1 HIS 32 HE1 HIS 32 1.793 4.034 -3.517 230 HE2 HIS 32 HE2 HIS 32 0.974 2.434 -1.684 231 H SER 33 H SER 33 -2.754 7.713 -3.713 232 HA SER 33 HA SER 33 -3.811 7.430 -6.250 233 1HB SER 33 1HB SER 33 -3.000 9.537 -5.414 234 2HB SER 33 2HB SER 33 -1.341 8.907 -5.356 235 HG SER 33 HG SER 33 -2.908 9.179 -7.704 236 H ALA 34 H ALA 34 -0.738 6.213 -5.073 237 HA ALA 34 HA ALA 34 -0.016 5.175 -7.797 238 1HB ALA 34 1HB ALA 34 2.272 5.275 -7.121 239 2HB ALA 34 2HB ALA 34 1.531 6.853 -6.801 240 3HB ALA 34 3HB ALA 34 1.830 5.722 -5.459 241 H CYS 35 H CYS 35 -1.916 3.787 -6.263 242 HA CYS 35 HA CYS 35 -0.433 1.259 -5.741 243 1HB CYS 35 1HB CYS 35 -1.295 2.162 -3.671 244 2HB CYS 35 2HB CYS 35 -2.912 2.323 -4.358 245 H LYS 36 H LYS 36 -0.851 -0.153 -7.319 246 HA LYS 36 HA LYS 36 -2.943 0.456 -9.288 247 1HB LYS 36 1HB LYS 36 -0.481 -1.349 -9.291 248 2HB LYS 36 2HB LYS 36 -1.562 -1.078 -10.656 249 1HG LYS 36 1HG LYS 36 -0.984 1.356 -10.612 250 2HG LYS 36 2HG LYS 36 0.146 1.043 -9.276 251 1HD LYS 36 1HD LYS 36 1.394 -0.560 -10.733 252 2HD LYS 36 2HD LYS 36 0.286 -0.182 -12.068 253 1HE LYS 36 1HE LYS 36 0.996 2.211 -11.955 254 2HE LYS 36 2HE LYS 36 2.126 1.801 -10.649 255 1HZ LYS 36 1HZ LYS 36 3.209 1.891 -12.756 256 2HZ LYS 36 2HZ LYS 36 3.260 0.352 -12.175 257 3HZ LYS 36 3HZ LYS 36 2.215 0.743 -13.388 258 H SER 37 H SER 37 -1.708 -2.213 -7.316 259 HA SER 37 HA SER 37 -4.200 -3.801 -7.820 260 1HB SER 37 1HB SER 37 -2.121 -5.031 -8.239 261 2HB SER 37 2HB SER 37 -1.564 -4.666 -6.595 262 HG SER 37 HG SER 37 -3.885 -6.129 -7.331 263 H CYS 38 H CYS 38 -5.661 -3.495 -6.356 264 HA CYS 38 HA CYS 38 -5.072 -3.006 -3.510 265 1HB CYS 38 1HB CYS 38 -5.198 -0.796 -4.514 266 2HB CYS 38 2HB CYS 38 -6.709 -1.203 -5.331 267 H LEU 39 H LEU 39 -6.557 -4.034 -2.248 268 HA LEU 39 HA LEU 39 -9.075 -5.025 -3.394 269 1HB LEU 39 1HB LEU 39 -7.228 -6.564 -4.181 270 2HB LEU 39 2HB LEU 39 -6.980 -7.054 -2.503 271 HG LEU 39 HG LEU 39 -9.789 -7.204 -3.607 272 1HD1 LEU 39 1HD1 LEU 39 -9.330 -9.374 -4.694 273 2HD1 LEU 39 2HD1 LEU 39 -8.485 -8.044 -5.500 274 3HD1 LEU 39 3HD1 LEU 39 -7.590 -9.141 -4.425 275 1HD2 LEU 39 1HD2 LEU 39 -8.122 -9.158 -1.953 276 2HD2 LEU 39 2HD2 LEU 39 -9.255 -7.969 -1.280 277 3HD2 LEU 39 3HD2 LEU 39 -9.857 -9.281 -2.297 278 H CYS 40 H CYS 40 -10.540 -5.618 -1.888 279 HA CYS 40 HA CYS 40 -9.831 -4.981 0.932 280 1HB CYS 40 1HB CYS 40 -12.554 -4.478 -0.242 281 2HB CYS 40 2HB CYS 40 -11.776 -3.663 1.104 282 H THR 41 H THR 41 -11.323 -5.792 2.623 283 HA THR 41 HA THR 41 -11.744 -8.637 2.067 284 HB THR 41 HB THR 41 -10.726 -7.846 4.171 285 HG1 THR 41 HG1 THR 41 -11.901 -9.341 5.396 286 1HG2 THR 41 1HG2 THR 41 -12.259 -5.897 4.583 287 2HG2 THR 41 2HG2 THR 41 -13.561 -7.039 4.973 288 3HG2 THR 41 3HG2 THR 41 -12.096 -6.998 5.968 289 H ARG 42 H ARG 42 -13.725 -9.733 2.280 290 HA ARG 42 HA ARG 42 -16.036 -8.188 1.288 291 1HB ARG 42 1HB ARG 42 -16.851 -10.378 0.584 292 2HB ARG 42 2HB ARG 42 -15.261 -10.003 -0.089 293 1HG ARG 42 1HG ARG 42 -14.173 -11.482 1.515 294 2HG ARG 42 2HG ARG 42 -15.720 -11.798 2.325 295 1HD ARG 42 1HD ARG 42 -16.602 -12.766 0.209 296 2HD ARG 42 2HD ARG 42 -15.022 -12.546 -0.550 297 HE ARG 42 HE ARG 42 -15.869 -14.601 1.318 298 1HH1 ARG 42 1HH1 ARG 42 -12.995 -12.847 0.178 299 2HH1 ARG 42 2HH1 ARG 42 -11.885 -14.093 0.686 300 1HH2 ARG 42 1HH2 ARG 42 -14.400 -16.217 1.979 301 2HH2 ARG 42 2HH2 ARG 42 -12.688 -16.015 1.714 302 H SER 43 H SER 43 -15.513 -7.751 4.030 303 HA SER 43 HA SER 43 -17.914 -8.714 5.267 304 1HB SER 43 1HB SER 43 -16.342 -10.707 5.442 305 2HB SER 43 2HB SER 43 -15.255 -9.703 6.409 306 HG SER 43 HG SER 43 -17.960 -10.397 6.987 307 H PHE 44 H PHE 44 -17.011 -8.430 7.902 308 HA PHE 44 HA PHE 44 -16.715 -5.511 8.102 309 1HB PHE 44 1HB PHE 44 -17.673 -6.153 10.438 310 2HB PHE 44 2HB PHE 44 -18.718 -5.983 9.034 311 HD1 PHE 44 HD1 PHE 44 -19.896 -7.882 8.087 312 HD2 PHE 44 HD2 PHE 44 -17.197 -8.408 11.412 313 HE1 PHE 44 HE1 PHE 44 -20.807 -10.154 8.473 314 HE2 PHE 44 HE2 PHE 44 -18.094 -10.688 11.771 315 HZ PHE 44 HZ PHE 44 -19.905 -11.563 10.311 316 HA PRO 45 HA PRO 45 -15.741 -3.940 9.279 317 1HB PRO 45 1HB PRO 45 -13.397 -2.585 9.342 318 2HB PRO 45 2HB PRO 45 -14.226 -3.145 10.823 319 1HG PRO 45 1HG PRO 45 -11.949 -4.509 9.361 320 2HG PRO 45 2HG PRO 45 -12.070 -4.153 11.108 321 1HD PRO 45 1HD PRO 45 -12.742 -6.597 10.063 322 2HD PRO 45 2HD PRO 45 -13.634 -5.899 11.446 323 HA PRO 46 HA PRO 46 -14.594 -4.340 4.885 324 1HB PRO 46 1HB PRO 46 -15.760 -2.154 3.824 325 2HB PRO 46 2HB PRO 46 -16.713 -3.486 4.536 326 1HG PRO 46 1HG PRO 46 -15.958 -0.866 5.872 327 2HG PRO 46 2HG PRO 46 -17.571 -1.626 5.781 328 1HD PRO 46 1HD PRO 46 -15.890 -1.933 7.943 329 2HD PRO 46 2HD PRO 46 -17.011 -3.221 7.405 330 H GLN 47 H GLN 47 -12.335 -4.146 5.442 331 HA GLN 47 HA GLN 47 -11.087 -1.458 5.250 332 1HB GLN 47 1HB GLN 47 -9.166 -2.595 6.256 333 2HB GLN 47 2HB GLN 47 -10.596 -2.606 7.304 334 1HG GLN 47 1HG GLN 47 -10.982 -4.957 6.856 335 2HG GLN 47 2HG GLN 47 -9.768 -4.983 5.573 336 1HE2 GLN 47 1HE2 GLN 47 -9.582 -3.577 8.905 337 2HE2 GLN 47 2HE2 GLN 47 -8.227 -4.574 9.390 338 H CYS 48 H CYS 48 -9.442 -1.136 3.753 339 HA CYS 48 HA CYS 48 -9.147 -3.244 1.704 340 1HB CYS 48 1HB CYS 48 -10.397 -1.012 1.149 341 2HB CYS 48 2HB CYS 48 -8.742 -0.400 0.951 342 H ARG 49 H ARG 49 -7.307 -3.506 0.651 343 HA ARG 49 HA ARG 49 -4.822 -2.772 2.157 344 1HB ARG 49 1HB ARG 49 -5.199 -5.282 0.551 345 2HB ARG 49 2HB ARG 49 -3.994 -4.922 1.795 346 1HG ARG 49 1HG ARG 49 -5.952 -4.936 3.461 347 2HG ARG 49 2HG ARG 49 -6.960 -5.549 2.150 348 1HD ARG 49 1HD ARG 49 -4.507 -6.803 3.419 349 2HD ARG 49 2HD ARG 49 -6.152 -7.449 3.422 350 HE ARG 49 HE ARG 49 -4.086 -7.794 1.443 351 1HH1 ARG 49 1HH1 ARG 49 -7.618 -7.473 1.656 352 2HH1 ARG 49 2HH1 ARG 49 -7.902 -8.325 0.161 353 1HH2 ARG 49 1HH2 ARG 49 -4.472 -8.853 -0.524 354 2HH2 ARG 49 2HH2 ARG 49 -6.100 -9.100 -1.096 355 H CYS 50 H CYS 50 -2.898 -2.604 0.829 356 HA CYS 50 HA CYS 50 -3.307 -2.301 -2.104 357 1HB CYS 50 1HB CYS 50 -1.392 -1.123 -0.088 358 2HB CYS 50 2HB CYS 50 -0.802 -1.448 -1.709 359 H TYR 51 H TYR 51 -1.712 -3.276 -3.445 360 HA TYR 51 HA TYR 51 0.108 -5.252 -2.331 361 1HB TYR 51 1HB TYR 51 -2.388 -6.175 -2.800 362 2HB TYR 51 2HB TYR 51 -1.803 -6.291 -4.440 363 HD1 TYR 51 HD1 TYR 51 1.191 -7.102 -3.183 364 HD2 TYR 51 HD2 TYR 51 -2.872 -8.547 -2.905 365 HE1 TYR 51 HE1 TYR 51 2.019 -9.316 -2.497 366 HE2 TYR 51 HE2 TYR 51 -2.021 -10.787 -2.278 367 HH TYR 51 HH TYR 51 1.472 -11.474 -1.924 368 H ASP 52 H ASP 52 0.215 -2.698 -3.843 369 HA ASP 52 HA ASP 52 0.742 -3.261 -6.614 370 1HB ASP 52 1HB ASP 52 1.313 -0.939 -6.764 371 2HB ASP 52 2HB ASP 52 -0.112 -1.112 -5.723 372 HD2 ASP 52 HD2 ASP 52 1.736 -0.271 -2.765 373 H ILE 53 H ILE 53 2.801 -3.056 -7.697 374 HA ILE 53 HA ILE 53 5.057 -4.097 -6.051 375 HB ILE 53 HB ILE 53 4.726 -4.246 -9.061 376 1HG1 ILE 53 1HG1 ILE 53 2.837 -5.459 -8.189 377 2HG1 ILE 53 2HG1 ILE 53 4.044 -6.581 -8.804 378 1HG2 ILE 53 1HG2 ILE 53 6.558 -5.652 -7.067 379 2HG2 ILE 53 2HG2 ILE 53 6.402 -6.111 -8.773 380 3HG2 ILE 53 3HG2 ILE 53 7.022 -4.516 -8.338 381 1HD1 ILE 53 1HD1 ILE 53 4.819 -7.011 -6.460 382 2HD1 ILE 53 2HD1 ILE 53 3.538 -5.928 -5.869 383 3HD1 ILE 53 3HD1 ILE 53 3.113 -7.417 -6.721 384 H THR 54 H THR 54 6.882 -2.978 -5.903 385 HA THR 54 HA THR 54 7.567 -0.800 -7.761 386 HB THR 54 HB THR 54 7.924 0.778 -5.911 387 HG1 THR 54 HG1 THR 54 6.913 -1.326 -4.299 388 1HG2 THR 54 1HG2 THR 54 5.633 0.705 -6.934 389 2HG2 THR 54 2HG2 THR 54 5.119 -0.322 -5.569 390 3HG2 THR 54 3HG2 THR 54 5.706 1.322 -5.273 391 H ASP 55 H ASP 55 9.775 0.120 -6.375 392 HA ASP 55 HA ASP 55 11.360 -2.244 -5.527 393 1HB ASP 55 1HB ASP 55 11.650 -1.364 -7.996 394 2HB ASP 55 2HB ASP 55 12.566 -0.056 -7.242 395 HD2 ASP 55 HD2 ASP 55 14.488 -3.247 -6.031 396 H PHE 56 H PHE 56 9.941 0.252 -4.376 397 HA PHE 56 HA PHE 56 12.020 1.089 -2.475 398 1HB PHE 56 1HB PHE 56 11.409 3.509 -3.059 399 2HB PHE 56 2HB PHE 56 12.437 2.648 -4.180 400 HD1 PHE 56 HD1 PHE 56 11.747 2.307 -6.482 401 HD2 PHE 56 HD2 PHE 56 8.942 3.822 -3.573 402 HE1 PHE 56 HE1 PHE 56 10.096 2.720 -8.284 403 HE2 PHE 56 HE2 PHE 56 7.311 4.248 -5.382 404 HZ PHE 56 HZ PHE 56 7.871 3.689 -7.736 405 H CYS 57 H CYS 57 10.923 2.907 -1.096 406 HA CYS 57 HA CYS 57 8.222 1.935 -0.229 407 1HB CYS 57 1HB CYS 57 9.995 1.481 1.383 408 2HB CYS 57 2HB CYS 57 10.478 3.184 1.361 409 H TYR 58 H TYR 58 6.694 3.459 0.333 410 HA TYR 58 HA TYR 58 7.057 6.248 -0.618 411 1HB TYR 58 1HB TYR 58 4.639 4.502 -0.010 412 2HB TYR 58 2HB TYR 58 4.529 6.214 -0.322 413 HD1 TYR 58 HD1 TYR 58 5.661 7.065 -2.569 414 HD2 TYR 58 HD2 TYR 58 4.363 3.018 -1.833 415 HE1 TYR 58 HE1 TYR 58 5.373 6.713 -5.003 416 HE2 TYR 58 HE2 TYR 58 4.054 2.678 -4.266 417 HH TYR 58 HH TYR 58 4.740 5.247 -6.663 418 HA PRO 59 HA PRO 59 7.378 7.568 3.571 419 1HB PRO 59 1HB PRO 59 6.096 10.006 3.635 420 2HB PRO 59 2HB PRO 59 7.638 9.719 2.780 421 1HG PRO 59 1HG PRO 59 4.845 9.649 1.597 422 2HG PRO 59 2HG PRO 59 6.257 10.575 1.004 423 1HD PRO 59 1HD PRO 59 5.645 8.190 -0.079 424 2HD PRO 59 2HD PRO 59 7.352 8.571 0.273 425 H SER 60 H SER 60 6.128 8.093 5.625 426 HA SER 60 HA SER 60 4.145 6.212 6.023 427 1HB SER 60 1HB SER 60 3.799 7.722 8.167 428 2HB SER 60 2HB SER 60 5.198 6.676 7.922 429 HG SER 60 HG SER 60 5.728 8.844 8.578 430 H CYS 61 H CYS 61 2.035 6.193 6.218 431 HA CYS 61 HA CYS 61 0.546 8.363 4.855 432 1HB CYS 61 1HB CYS 61 0.616 5.606 4.501 433 2HB CYS 61 2HB CYS 61 -0.823 5.785 5.460 434 H SER 62 H SER 62 -1.932 8.123 5.458 435 HA SER 62 HA SER 62 -2.179 9.228 8.164 436 1HB SER 62 1HB SER 62 -4.478 9.732 7.386 437 2HB SER 62 2HB SER 62 -3.233 10.346 6.284 438 HG SER 62 HG SER 62 -4.812 9.327 5.086 Start of MODEL 14 1 1H THR 1 1H THR 1 -3.849 24.744 -6.372 2 2H THR 1 2H THR 1 -4.589 23.295 -6.673 3 3H THR 1 3H THR 1 -4.183 23.710 -5.130 4 HA THR 1 HA THR 1 -2.272 23.219 -7.280 5 HB THR 1 HB THR 1 -0.625 23.235 -5.397 6 HG1 THR 1 HG1 THR 1 -1.325 24.253 -3.477 7 1HG2 THR 1 1HG2 THR 1 -0.444 25.665 -5.230 8 2HG2 THR 1 2HG2 THR 1 -0.879 25.199 -6.884 9 3HG2 THR 1 3HG2 THR 1 -2.111 25.871 -5.793 10 H LYS 2 H LYS 2 -0.995 21.274 -6.985 11 HA LYS 2 HA LYS 2 -2.534 18.962 -6.031 12 1HB LYS 2 1HB LYS 2 -1.284 18.986 -8.196 13 2HB LYS 2 2HB LYS 2 0.211 19.246 -7.305 14 1HG LYS 2 1HG LYS 2 0.453 17.033 -7.396 15 2HG LYS 2 2HG LYS 2 -0.717 16.932 -6.083 16 1HD LYS 2 1HD LYS 2 -1.356 16.768 -9.066 17 2HD LYS 2 2HD LYS 2 -1.162 15.390 -7.972 18 1HE LYS 2 1HE LYS 2 -3.070 16.215 -6.592 19 2HE LYS 2 2HE LYS 2 -3.319 17.536 -7.754 20 1HZ LYS 2 1HZ LYS 2 -4.755 15.696 -8.188 21 2HZ LYS 2 2HZ LYS 2 -3.706 15.900 -9.442 22 3HZ LYS 2 3HZ LYS 2 -3.478 14.671 -8.368 23 H SER 3 H SER 3 -2.419 20.211 -3.844 24 HA SER 3 HA SER 3 -0.054 19.288 -2.256 25 1HB SER 3 1HB SER 3 -1.446 21.994 -2.074 26 2HB SER 3 2HB SER 3 -0.101 21.416 -1.068 27 HG SER 3 HG SER 3 0.688 22.681 -2.746 28 H THR 4 H THR 4 -1.898 17.537 -2.214 29 HA THR 4 HA THR 4 -3.053 17.722 0.432 30 HB THR 4 HB THR 4 -4.821 18.804 -0.971 31 HG1 THR 4 HG1 THR 4 -5.442 17.689 0.838 32 1HG2 THR 4 1HG2 THR 4 -4.423 17.553 -3.103 33 2HG2 THR 4 2HG2 THR 4 -5.077 16.088 -2.339 34 3HG2 THR 4 3HG2 THR 4 -6.111 17.506 -2.569 35 H THR 5 H THR 5 -3.905 15.669 1.085 36 HA THR 5 HA THR 5 -2.637 13.679 1.594 37 HB THR 5 HB THR 5 -4.969 13.562 1.856 38 HG1 THR 5 HG1 THR 5 -3.835 11.618 2.018 39 1HG2 THR 5 1HG2 THR 5 -5.773 14.310 -0.363 40 2HG2 THR 5 2HG2 THR 5 -5.305 12.747 -1.062 41 3HG2 THR 5 3HG2 THR 5 -6.555 12.823 0.185 42 H THR 6 H THR 6 -0.658 13.773 0.410 43 HA THR 6 HA THR 6 -0.408 12.756 -2.255 44 HB THR 6 HB THR 6 2.006 12.754 -1.679 45 HG1 THR 6 HG1 THR 6 1.697 12.262 0.567 46 1HG2 THR 6 1HG2 THR 6 0.910 14.818 -2.510 47 2HG2 THR 6 2HG2 THR 6 0.545 15.300 -0.839 48 3HG2 THR 6 3HG2 THR 6 2.229 15.175 -1.380 49 H ALA 7 H ALA 7 0.699 10.787 -2.881 50 HA ALA 7 HA ALA 7 -0.354 8.465 -1.665 51 1HB ALA 7 1HB ALA 7 1.153 7.255 -3.212 52 2HB ALA 7 2HB ALA 7 0.281 8.563 -4.041 53 3HB ALA 7 3HB ALA 7 1.988 8.776 -3.595 54 H CYS 8 H CYS 8 0.238 7.391 0.119 55 HA CYS 8 HA CYS 8 3.063 7.280 0.957 56 1HB CYS 8 1HB CYS 8 2.483 8.083 3.227 57 2HB CYS 8 2HB CYS 8 2.427 9.300 1.984 58 H CYS 9 H CYS 9 3.209 6.138 3.047 59 HA CYS 9 HA CYS 9 1.438 3.945 3.674 60 1HB CYS 9 1HB CYS 9 2.191 3.128 1.494 61 2HB CYS 9 2HB CYS 9 3.869 3.472 1.924 62 H ASP 10 H ASP 10 2.299 2.756 5.501 63 HA ASP 10 HA ASP 10 4.533 4.130 6.887 64 1HB ASP 10 1HB ASP 10 2.308 2.331 7.934 65 2HB ASP 10 2HB ASP 10 3.508 3.201 8.877 66 HD2 ASP 10 HD2 ASP 10 1.645 6.097 8.957 67 H PHE 11 H PHE 11 3.123 0.752 6.791 68 HA PHE 11 HA PHE 11 5.849 -0.353 7.046 69 1HB PHE 11 1HB PHE 11 3.157 -1.700 7.110 70 2HB PHE 11 2HB PHE 11 4.713 -2.433 7.488 71 HD1 PHE 11 HD1 PHE 11 6.086 -0.649 9.288 72 HD2 PHE 11 HD2 PHE 11 1.877 -1.602 9.101 73 HE1 PHE 11 HE1 PHE 11 5.825 0.012 11.654 74 HE2 PHE 11 HE2 PHE 11 1.631 -0.933 11.471 75 HZ PHE 11 HZ PHE 11 3.602 -0.131 12.755 76 H CYS 12 H CYS 12 6.835 -0.378 5.225 77 HA CYS 12 HA CYS 12 5.572 -1.285 2.681 78 1HB CYS 12 1HB CYS 12 7.196 0.197 1.600 79 2HB CYS 12 2HB CYS 12 6.060 1.053 2.634 80 HA PRO 13 HA PRO 13 9.156 -4.058 3.990 81 1HB PRO 13 1HB PRO 13 7.965 -6.524 3.785 82 2HB PRO 13 2HB PRO 13 7.845 -5.491 5.238 83 1HG PRO 13 1HG PRO 13 5.858 -5.671 2.948 84 2HG PRO 13 2HG PRO 13 5.524 -5.844 4.700 85 1HD PRO 13 1HD PRO 13 5.147 -3.481 3.469 86 2HD PRO 13 2HD PRO 13 5.932 -3.523 5.078 87 H CYS 14 H CYS 14 10.414 -5.470 2.679 88 HA CYS 14 HA CYS 14 9.612 -5.737 -0.157 89 1HB CYS 14 1HB CYS 14 12.332 -4.888 0.896 90 2HB CYS 14 2HB CYS 14 11.920 -5.154 -0.791 91 H THR 15 H THR 15 10.812 -7.343 -1.289 92 HA THR 15 HA THR 15 11.163 -9.785 0.307 93 HB THR 15 HB THR 15 11.098 -10.861 -1.919 94 HG1 THR 15 HG1 THR 15 10.885 -8.191 -2.836 95 1HG2 THR 15 1HG2 THR 15 8.812 -10.334 -2.529 96 2HG2 THR 15 2HG2 THR 15 8.948 -10.329 -0.763 97 3HG2 THR 15 3HG2 THR 15 8.867 -8.796 -1.647 98 H ARG 16 H ARG 16 12.892 -11.296 -0.563 99 HA ARG 16 HA ARG 16 15.522 -9.898 -0.722 100 1HB ARG 16 1HB ARG 16 16.446 -11.863 0.296 101 2HB ARG 16 2HB ARG 16 15.118 -11.257 1.302 102 1HG ARG 16 1HG ARG 16 13.620 -13.006 0.299 103 2HG ARG 16 2HG ARG 16 14.996 -13.620 -0.637 104 1HD ARG 16 1HD ARG 16 16.226 -14.043 1.487 105 2HD ARG 16 2HD ARG 16 14.799 -13.554 2.406 106 HE ARG 16 HE ARG 16 15.292 -16.054 1.002 107 1HH1 ARG 16 1HH1 ARG 16 12.702 -13.943 2.210 108 2HH1 ARG 16 2HH1 ARG 16 11.473 -15.175 2.090 109 1HH2 ARG 16 1HH2 ARG 16 13.663 -17.649 0.828 110 2HH2 ARG 16 2HH2 ARG 16 12.025 -17.291 1.308 111 H SER 17 H SER 17 13.354 -11.375 -2.731 112 HA SER 17 HA SER 17 15.013 -13.143 -4.274 113 1HB SER 17 1HB SER 17 12.989 -12.869 -5.854 114 2HB SER 17 2HB SER 17 12.681 -13.517 -4.249 115 HG SER 17 HG SER 17 11.212 -11.840 -4.834 116 H ILE 18 H ILE 18 14.872 -12.637 -6.755 117 HA ILE 18 HA ILE 18 16.108 -9.980 -7.279 118 HB ILE 18 HB ILE 18 17.057 -12.677 -8.227 119 1HG1 ILE 18 1HG1 ILE 18 17.752 -12.220 -5.918 120 2HG1 ILE 18 2HG1 ILE 18 19.107 -12.223 -7.038 121 1HG2 ILE 18 1HG2 ILE 18 17.339 -11.153 -10.057 122 2HG2 ILE 18 2HG2 ILE 18 17.968 -9.881 -8.998 123 3HG2 ILE 18 3HG2 ILE 18 18.918 -11.354 -9.291 124 1HD1 ILE 18 1HD1 ILE 18 19.132 -9.732 -7.037 125 2HD1 ILE 18 2HD1 ILE 18 17.790 -9.728 -5.874 126 3HD1 ILE 18 3HD1 ILE 18 19.347 -10.421 -5.421 127 HA PRO 19 HA PRO 19 15.770 -8.317 -8.535 128 1HB PRO 19 1HB PRO 19 13.789 -6.575 -9.268 129 2HB PRO 19 2HB PRO 19 15.008 -7.215 -10.405 130 1HG PRO 19 1HG PRO 19 12.189 -8.232 -9.959 131 2HG PRO 19 2HG PRO 19 12.998 -7.872 -11.513 132 1HD PRO 19 1HD PRO 19 12.869 -10.406 -10.505 133 2HD PRO 19 2HD PRO 19 14.320 -9.836 -11.377 134 HA PRO 20 HA PRO 20 13.342 -8.481 -4.726 135 1HB PRO 20 1HB PRO 20 14.252 -6.295 -3.383 136 2HB PRO 20 2HB PRO 20 15.266 -7.735 -3.674 137 1HG PRO 20 1HG PRO 20 15.231 -5.156 -5.261 138 2HG PRO 20 2HG PRO 20 16.649 -6.044 -4.638 139 1HD PRO 20 1HD PRO 20 15.756 -6.306 -7.217 140 2HD PRO 20 2HD PRO 20 16.476 -7.680 -6.326 141 H GLN 21 H GLN 21 11.217 -7.973 -4.550 142 HA GLN 21 HA GLN 21 10.206 -5.451 -5.738 143 1HB GLN 21 1HB GLN 21 8.086 -6.570 -5.743 144 2HB GLN 21 2HB GLN 21 9.244 -7.407 -6.767 145 1HG GLN 21 1HG GLN 21 8.907 -8.419 -3.957 146 2HG GLN 21 2HG GLN 21 7.501 -8.540 -4.991 147 1HE2 GLN 21 1HE2 GLN 21 10.892 -8.931 -6.209 148 2HE2 GLN 21 2HE2 GLN 21 10.678 -10.614 -6.595 149 H CYS 22 H CYS 22 8.681 -4.237 -4.570 150 HA CYS 22 HA CYS 22 8.620 -4.602 -1.615 151 1HB CYS 22 1HB CYS 22 8.992 -2.062 -3.203 152 2HB CYS 22 2HB CYS 22 8.718 -2.125 -1.465 153 H GLN 23 H GLN 23 6.805 -3.993 -0.591 154 HA GLN 23 HA GLN 23 4.385 -3.195 -2.089 155 1HB GLN 23 1HB GLN 23 4.814 -5.684 -2.265 156 2HB GLN 23 2HB GLN 23 4.727 -5.792 -0.500 157 1HG GLN 23 1HG GLN 23 2.384 -4.970 -0.586 158 2HG GLN 23 2HG GLN 23 2.522 -4.824 -2.350 159 1HE2 GLN 23 1HE2 GLN 23 3.605 -7.117 -3.236 160 2HE2 GLN 23 2HE2 GLN 23 2.738 -8.533 -2.681 161 H CYS 24 H CYS 24 2.569 -2.836 -0.477 162 HA CYS 24 HA CYS 24 3.556 -2.152 2.267 163 1HB CYS 24 1HB CYS 24 1.325 -0.974 0.634 164 2HB CYS 24 2HB CYS 24 1.526 -0.706 2.359 165 H THR 25 H THR 25 2.517 -2.867 4.002 166 HA THR 25 HA THR 25 0.770 -5.249 3.479 167 HB THR 25 HB THR 25 2.955 -5.755 4.359 168 HG1 THR 25 HG1 THR 25 1.065 -6.929 5.013 169 1HG2 THR 25 1HG2 THR 25 3.484 -3.711 5.563 170 2HG2 THR 25 2HG2 THR 25 2.138 -3.978 6.695 171 3HG2 THR 25 3HG2 THR 25 3.534 -5.084 6.676 172 H ASP 26 H ASP 26 0.656 -2.051 4.756 173 HA ASP 26 HA ASP 26 -0.947 -2.391 7.003 174 1HB ASP 26 1HB ASP 26 -1.141 -0.010 5.136 175 2HB ASP 26 2HB ASP 26 -1.249 -0.079 6.893 176 HD2 ASP 26 HD2 ASP 26 2.384 -0.160 5.069 177 H VAL 27 H VAL 27 -3.184 -2.197 7.306 178 HA VAL 27 HA VAL 27 -4.947 -2.579 4.914 179 HB VAL 27 HB VAL 27 -5.233 -3.584 7.776 180 1HG1 VAL 27 1HG1 VAL 27 -7.321 -4.653 6.932 181 2HG1 VAL 27 2HG1 VAL 27 -7.418 -2.886 6.927 182 3HG1 VAL 27 3HG1 VAL 27 -7.142 -3.767 5.402 183 1HG2 VAL 27 1HG2 VAL 27 -4.951 -5.031 5.098 184 2HG2 VAL 27 2HG2 VAL 27 -3.711 -4.958 6.368 185 3HG2 VAL 27 3HG2 VAL 27 -5.232 -5.810 6.667 186 H ARG 28 H ARG 28 -6.320 -0.921 4.551 187 HA ARG 28 HA ARG 28 -6.849 1.056 6.642 188 1HB ARG 28 1HB ARG 28 -5.847 2.864 5.747 189 2HB ARG 28 2HB ARG 28 -4.648 1.596 5.543 190 1HG ARG 28 1HG ARG 28 -6.397 2.906 3.428 191 2HG ARG 28 2HG ARG 28 -4.654 2.945 3.580 192 1HD ARG 28 1HD ARG 28 -6.278 0.425 2.972 193 2HD ARG 28 2HD ARG 28 -5.551 1.446 1.783 194 HE ARG 28 HE ARG 28 -4.237 -0.492 3.517 195 1HH1 ARG 28 1HH1 ARG 28 -3.687 2.458 1.613 196 2HH1 ARG 28 2HH1 ARG 28 -2.003 2.100 1.321 197 1HH2 ARG 28 1HH2 ARG 28 -2.070 -0.933 3.137 198 2HH2 ARG 28 2HH2 ARG 28 -1.057 0.172 2.234 199 H GLU 29 H GLU 29 -7.984 3.074 5.095 200 HA GLU 29 HA GLU 29 -10.413 1.924 4.003 201 1HB GLU 29 1HB GLU 29 -10.076 4.171 5.270 202 2HB GLU 29 2HB GLU 29 -9.462 4.804 3.741 203 1HG GLU 29 1HG GLU 29 -11.669 4.092 2.690 204 2HG GLU 29 2HG GLU 29 -12.178 3.488 4.269 205 HE2 GLU 29 HE2 GLU 29 -13.772 6.602 4.403 206 H LYS 30 H LYS 30 -9.971 4.225 1.742 207 HA LYS 30 HA LYS 30 -9.354 2.348 -0.289 208 1HB LYS 30 1HB LYS 30 -9.212 4.354 -1.758 209 2HB LYS 30 2HB LYS 30 -10.710 4.148 -0.865 210 1HG LYS 30 1HG LYS 30 -10.090 5.957 0.683 211 2HG LYS 30 2HG LYS 30 -8.433 5.966 0.060 212 1HD LYS 30 1HD LYS 30 -9.591 7.863 -0.825 213 2HD LYS 30 2HD LYS 30 -9.260 6.737 -2.151 214 1HE LYS 30 1HE LYS 30 -11.609 5.944 -2.077 215 2HE LYS 30 2HE LYS 30 -11.924 6.981 -0.671 216 1HZ LYS 30 1HZ LYS 30 -11.422 8.870 -2.068 217 2HZ LYS 30 2HZ LYS 30 -11.207 7.884 -3.370 218 3HZ LYS 30 3HZ LYS 30 -12.688 7.995 -2.656 219 H CYS 31 H CYS 31 -7.667 2.413 -1.835 220 HA CYS 31 HA CYS 31 -5.022 2.552 -0.662 221 1HB CYS 31 1HB CYS 31 -5.923 1.955 -3.497 222 2HB CYS 31 2HB CYS 31 -4.301 1.781 -2.849 223 H HIS 32 H HIS 32 -3.259 3.659 -1.974 224 HA HIS 32 HA HIS 32 -3.985 6.480 -2.092 225 1HB HIS 32 1HB HIS 32 -1.544 6.814 -2.141 226 2HB HIS 32 2HB HIS 32 -2.190 6.056 -0.710 227 HD1 HIS 32 HD1 HIS 32 -0.240 5.257 -3.905 228 HD2 HIS 32 HD2 HIS 32 -1.060 3.639 -0.112 229 HE1 HIS 32 HE1 HIS 32 1.302 3.289 -3.622 230 HE2 HIS 32 HE2 HIS 32 0.829 2.240 -1.307 231 H SER 33 H SER 33 -2.694 7.842 -3.600 232 HA SER 33 HA SER 33 -3.718 7.486 -6.201 233 1HB SER 33 1HB SER 33 -3.290 9.656 -5.075 234 2HB SER 33 2HB SER 33 -1.554 9.394 -5.339 235 HG SER 33 HG SER 33 -2.071 9.246 -7.606 236 H ALA 34 H ALA 34 -0.638 6.535 -4.884 237 HA ALA 34 HA ALA 34 0.436 5.834 -7.584 238 1HB ALA 34 1HB ALA 34 1.820 5.781 -4.875 239 2HB ALA 34 2HB ALA 34 2.573 5.626 -6.471 240 3HB ALA 34 3HB ALA 34 1.856 7.172 -5.981 241 H CYS 35 H CYS 35 -1.776 4.357 -6.431 242 HA CYS 35 HA CYS 35 -0.509 1.674 -6.186 243 1HB CYS 35 1HB CYS 35 -1.764 2.543 -4.114 244 2HB CYS 35 2HB CYS 35 -3.230 2.417 -5.091 245 H LYS 36 H LYS 36 -0.950 0.402 -7.910 246 HA LYS 36 HA LYS 36 -3.168 1.112 -9.769 247 1HB LYS 36 1HB LYS 36 -0.417 -0.050 -10.067 248 2HB LYS 36 2HB LYS 36 -1.661 -0.680 -11.133 249 1HG LYS 36 1HG LYS 36 -1.152 2.303 -10.840 250 2HG LYS 36 2HG LYS 36 -0.281 1.273 -11.992 251 1HD LYS 36 1HD LYS 36 -2.477 0.518 -12.950 252 2HD LYS 36 2HD LYS 36 -3.305 1.724 -11.952 253 1HE LYS 36 1HE LYS 36 -1.142 2.316 -14.030 254 2HE LYS 36 2HE LYS 36 -2.886 2.460 -14.300 255 1HZ LYS 36 1HZ LYS 36 -2.981 4.116 -12.605 256 2HZ LYS 36 2HZ LYS 36 -1.363 3.989 -12.312 257 3HZ LYS 36 3HZ LYS 36 -1.897 4.552 -13.765 258 H SER 37 H SER 37 -1.685 -1.521 -7.913 259 HA SER 37 HA SER 37 -4.106 -3.214 -8.407 260 1HB SER 37 1HB SER 37 -1.946 -4.238 -8.985 261 2HB SER 37 2HB SER 37 -1.409 -4.046 -7.302 262 HG SER 37 HG SER 37 -3.237 -5.331 -6.713 263 H CYS 38 H CYS 38 -5.528 -2.957 -6.908 264 HA CYS 38 HA CYS 38 -4.828 -2.595 -4.028 265 1HB CYS 38 1HB CYS 38 -5.510 -0.441 -5.037 266 2HB CYS 38 2HB CYS 38 -6.992 -1.192 -5.632 267 H LEU 39 H LEU 39 -6.062 -3.868 -2.681 268 HA LEU 39 HA LEU 39 -8.267 -5.504 -3.783 269 1HB LEU 39 1HB LEU 39 -5.620 -6.455 -3.649 270 2HB LEU 39 2HB LEU 39 -6.357 -7.113 -2.196 271 HG LEU 39 HG LEU 39 -7.362 -7.416 -5.058 272 1HD1 LEU 39 1HD1 LEU 39 -6.673 -9.791 -4.794 273 2HD1 LEU 39 2HD1 LEU 39 -5.314 -8.666 -4.708 274 3HD1 LEU 39 3HD1 LEU 39 -5.960 -9.392 -3.215 275 1HD2 LEU 39 1HD2 LEU 39 -8.418 -8.592 -2.444 276 2HD2 LEU 39 2HD2 LEU 39 -9.305 -7.599 -3.630 277 3HD2 LEU 39 3HD2 LEU 39 -8.829 -9.241 -4.042 278 H CYS 40 H CYS 40 -9.581 -6.448 -2.110 279 HA CYS 40 HA CYS 40 -9.192 -5.346 0.605 280 1HB CYS 40 1HB CYS 40 -11.822 -5.252 -0.898 281 2HB CYS 40 2HB CYS 40 -11.427 -4.422 0.593 282 H THR 41 H THR 41 -10.603 -6.294 2.216 283 HA THR 41 HA THR 41 -10.939 -9.195 1.650 284 HB THR 41 HB THR 41 -9.519 -8.586 3.555 285 HG1 THR 41 HG1 THR 41 -10.653 -10.522 3.529 286 1HG2 THR 41 1HG2 THR 41 -10.539 -7.780 5.641 287 2HG2 THR 41 2HG2 THR 41 -10.633 -6.549 4.373 288 3HG2 THR 41 3HG2 THR 41 -12.077 -7.493 4.811 289 H ARG 42 H ARG 42 -12.863 -10.271 2.230 290 HA ARG 42 HA ARG 42 -15.316 -8.620 2.051 291 1HB ARG 42 1HB ARG 42 -16.383 -10.658 1.330 292 2HB ARG 42 2HB ARG 42 -14.999 -10.258 0.306 293 1HG ARG 42 1HG ARG 42 -13.635 -11.953 1.449 294 2HG ARG 42 2HG ARG 42 -14.997 -12.339 2.528 295 1HD ARG 42 1HD ARG 42 -16.357 -13.024 0.597 296 2HD ARG 42 2HD ARG 42 -15.058 -12.601 -0.519 297 HE ARG 42 HE ARG 42 -15.338 -14.995 1.103 298 1HH1 ARG 42 1HH1 ARG 42 -12.931 -12.928 -0.498 299 2HH1 ARG 42 2HH1 ARG 42 -11.772 -14.218 -0.692 300 1HH2 ARG 42 1HH2 ARG 42 -13.816 -16.678 0.817 301 2HH2 ARG 42 2HH2 ARG 42 -12.278 -16.355 0.061 302 H SER 43 H SER 43 -13.519 -9.286 4.573 303 HA SER 43 HA SER 43 -15.260 -10.636 6.367 304 1HB SER 43 1HB SER 43 -13.124 -8.530 6.897 305 2HB SER 43 2HB SER 43 -13.750 -9.720 8.044 306 HG SER 43 HG SER 43 -12.942 -11.353 6.607 307 H PHE 44 H PHE 44 -15.884 -9.222 8.430 308 HA PHE 44 HA PHE 44 -17.259 -6.724 7.572 309 1HB PHE 44 1HB PHE 44 -18.890 -8.466 7.838 310 2HB PHE 44 2HB PHE 44 -18.275 -8.860 9.442 311 HD1 PHE 44 HD1 PHE 44 -19.135 -7.723 11.360 312 HD2 PHE 44 HD2 PHE 44 -19.775 -6.053 7.432 313 HE1 PHE 44 HE1 PHE 44 -20.619 -5.994 12.332 314 HE2 PHE 44 HE2 PHE 44 -21.236 -4.307 8.419 315 HZ PHE 44 HZ PHE 44 -21.661 -4.275 10.869 316 HA PRO 45 HA PRO 45 -17.131 -4.640 7.994 317 1HB PRO 45 1HB PRO 45 -15.453 -2.542 8.264 318 2HB PRO 45 2HB PRO 45 -16.816 -2.846 9.371 319 1HG PRO 45 1HG PRO 45 -13.922 -3.652 9.806 320 2HG PRO 45 2HG PRO 45 -14.975 -2.735 10.918 321 1HD PRO 45 1HD PRO 45 -14.655 -5.426 11.150 322 2HD PRO 45 2HD PRO 45 -16.259 -4.683 11.410 323 HA PRO 46 HA PRO 46 -13.780 -5.827 5.092 324 1HB PRO 46 1HB PRO 46 -14.690 -4.742 2.797 325 2HB PRO 46 2HB PRO 46 -15.556 -6.077 3.608 326 1HG PRO 46 1HG PRO 46 -16.187 -3.118 3.752 327 2HG PRO 46 2HG PRO 46 -17.309 -4.472 3.449 328 1HD PRO 46 1HD PRO 46 -16.928 -3.343 5.945 329 2HD PRO 46 2HD PRO 46 -17.349 -5.066 5.708 330 H GLN 47 H GLN 47 -11.771 -4.904 4.968 331 HA GLN 47 HA GLN 47 -11.491 -1.959 4.558 332 1HB GLN 47 1HB GLN 47 -9.821 -3.968 6.129 333 2HB GLN 47 2HB GLN 47 -9.203 -2.427 5.543 334 1HG GLN 47 1HG GLN 47 -9.845 -2.124 7.831 335 2HG GLN 47 2HG GLN 47 -10.927 -1.188 6.788 336 1HE2 GLN 47 1HE2 GLN 47 -10.685 -4.522 8.185 337 2HE2 GLN 47 2HE2 GLN 47 -12.390 -4.654 8.575 338 H CYS 48 H CYS 48 -9.552 -1.397 3.316 339 HA CYS 48 HA CYS 48 -8.949 -3.385 1.191 340 1HB CYS 48 1HB CYS 48 -9.322 -0.409 1.127 341 2HB CYS 48 2HB CYS 48 -8.576 -1.308 -0.186 342 H ARG 49 H ARG 49 -6.880 -2.920 0.077 343 HA ARG 49 HA ARG 49 -4.647 -1.873 1.681 344 1HB ARG 49 1HB ARG 49 -4.879 -3.952 2.768 345 2HB ARG 49 2HB ARG 49 -5.209 -4.771 1.232 346 1HG ARG 49 1HG ARG 49 -2.853 -4.387 0.520 347 2HG ARG 49 2HG ARG 49 -2.535 -3.520 2.015 348 1HD ARG 49 1HD ARG 49 -1.747 -5.910 1.981 349 2HD ARG 49 2HD ARG 49 -2.809 -5.472 3.329 350 HE ARG 49 HE ARG 49 -4.176 -7.139 2.720 351 1HH1 ARG 49 1HH1 ARG 49 -2.650 -6.114 -0.352 352 2HH1 ARG 49 2HH1 ARG 49 -3.721 -7.104 -1.306 353 1HH2 ARG 49 1HH2 ARG 49 -5.463 -8.456 1.428 354 2HH2 ARG 49 2HH2 ARG 49 -5.251 -8.490 -0.303 355 H CYS 50 H CYS 50 -2.824 -1.691 0.462 356 HA CYS 50 HA CYS 50 -3.233 -1.651 -2.484 357 1HB CYS 50 1HB CYS 50 -2.458 0.422 -1.408 358 2HB CYS 50 2HB CYS 50 -1.037 -0.430 -0.790 359 H TYR 51 H TYR 51 -2.422 -3.218 -3.713 360 HA TYR 51 HA TYR 51 -0.372 -5.098 -2.649 361 1HB TYR 51 1HB TYR 51 -2.917 -5.556 -3.653 362 2HB TYR 51 2HB TYR 51 -1.947 -5.783 -5.083 363 HD1 TYR 51 HD1 TYR 51 -3.714 -7.726 -3.312 364 HD2 TYR 51 HD2 TYR 51 0.530 -7.125 -3.761 365 HE1 TYR 51 HE1 TYR 51 -3.307 -10.068 -2.629 366 HE2 TYR 51 HE2 TYR 51 0.924 -9.467 -3.097 367 HH TYR 51 HH TYR 51 -0.011 -11.456 -2.453 368 H ASP 52 H ASP 52 -0.312 -2.322 -4.329 369 HA ASP 52 HA ASP 52 0.722 -3.040 -6.869 370 1HB ASP 52 1HB ASP 52 -0.273 -0.853 -6.357 371 2HB ASP 52 2HB ASP 52 1.100 -0.459 -5.300 372 HD2 ASP 52 HD2 ASP 52 2.929 0.763 -7.960 373 H ILE 53 H ILE 53 2.796 -3.031 -7.684 374 HA ILE 53 HA ILE 53 4.837 -3.925 -5.723 375 HB ILE 53 HB ILE 53 4.477 -4.514 -8.685 376 1HG1 ILE 53 1HG1 ILE 53 2.642 -5.535 -7.475 377 2HG1 ILE 53 2HG1 ILE 53 3.787 -6.766 -7.987 378 1HG2 ILE 53 1HG2 ILE 53 6.796 -4.716 -8.124 379 2HG2 ILE 53 2HG2 ILE 53 6.412 -5.535 -6.601 380 3HG2 ILE 53 3HG2 ILE 53 6.142 -6.361 -8.153 381 1HD1 ILE 53 1HD1 ILE 53 4.733 -6.820 -5.655 382 2HD1 ILE 53 2HD1 ILE 53 3.483 -5.652 -5.161 383 3HD1 ILE 53 3HD1 ILE 53 3.018 -7.253 -5.747 384 H THR 54 H THR 54 6.768 -2.958 -5.589 385 HA THR 54 HA THR 54 7.666 -1.001 -7.632 386 HB THR 54 HB THR 54 8.157 0.608 -5.746 387 HG1 THR 54 HG1 THR 54 6.535 -1.208 -4.288 388 1HG2 THR 54 1HG2 THR 54 5.978 1.529 -5.542 389 2HG2 THR 54 2HG2 THR 54 6.129 0.868 -7.179 390 3HG2 THR 54 3HG2 THR 54 5.197 -0.014 -5.943 391 H ASP 55 H ASP 55 9.929 -0.139 -6.713 392 HA ASP 55 HA ASP 55 11.537 -2.450 -5.701 393 1HB ASP 55 1HB ASP 55 12.084 -1.588 -7.975 394 2HB ASP 55 2HB ASP 55 12.408 0.004 -7.283 395 HD2 ASP 55 HD2 ASP 55 14.950 -3.026 -6.267 396 H PHE 56 H PHE 56 10.035 0.381 -4.749 397 HA PHE 56 HA PHE 56 12.037 1.108 -2.664 398 1HB PHE 56 1HB PHE 56 11.432 3.480 -3.209 399 2HB PHE 56 2HB PHE 56 12.246 2.642 -4.496 400 HD1 PHE 56 HD1 PHE 56 9.027 4.098 -3.395 401 HD2 PHE 56 HD2 PHE 56 11.099 2.125 -6.621 402 HE1 PHE 56 HE1 PHE 56 7.133 4.586 -4.907 403 HE2 PHE 56 HE2 PHE 56 9.193 2.610 -8.132 404 HZ PHE 56 HZ PHE 56 7.204 3.832 -7.276 405 H CYS 57 H CYS 57 10.756 2.997 -1.407 406 HA CYS 57 HA CYS 57 8.135 1.903 -0.453 407 1HB CYS 57 1HB CYS 57 9.863 1.418 1.167 408 2HB CYS 57 2HB CYS 57 10.450 3.090 1.097 409 H TYR 58 H TYR 58 6.606 3.447 0.110 410 HA TYR 58 HA TYR 58 6.773 6.013 -1.266 411 1HB TYR 58 1HB TYR 58 4.628 4.785 0.491 412 2HB TYR 58 2HB TYR 58 4.394 6.146 -0.556 413 HD1 TYR 58 HD1 TYR 58 4.518 2.524 -0.369 414 HD2 TYR 58 HD2 TYR 58 4.472 5.889 -3.059 415 HE1 TYR 58 HE1 TYR 58 3.883 1.019 -2.233 416 HE2 TYR 58 HE2 TYR 58 3.941 4.365 -4.945 417 HH TYR 58 HH TYR 58 3.440 0.850 -4.485 418 HA PRO 59 HA PRO 59 7.830 8.412 2.369 419 1HB PRO 59 1HB PRO 59 6.070 10.552 2.317 420 2HB PRO 59 2HB PRO 59 7.477 10.381 1.224 421 1HG PRO 59 1HG PRO 59 4.613 9.591 0.687 422 2HG PRO 59 2HG PRO 59 5.675 10.583 -0.359 423 1HD PRO 59 1HD PRO 59 5.386 7.987 -0.878 424 2HD PRO 59 2HD PRO 59 7.027 8.669 -0.912 425 H SER 60 H SER 60 7.003 9.025 4.558 426 HA SER 60 HA SER 60 5.370 6.998 5.578 427 1HB SER 60 1HB SER 60 5.386 8.665 7.617 428 2HB SER 60 2HB SER 60 6.781 7.702 7.159 429 HG SER 60 HG SER 60 7.701 9.498 6.227 430 H CYS 61 H CYS 61 3.346 6.912 6.212 431 HA CYS 61 HA CYS 61 1.455 9.051 5.351 432 1HB CYS 61 1HB CYS 61 1.457 6.213 5.058 433 2HB CYS 61 2HB CYS 61 0.203 6.554 6.207 434 H SER 62 H SER 62 -0.692 8.615 6.841 435 HA SER 62 HA SER 62 0.063 9.628 9.483 436 1HB SER 62 1HB SER 62 -2.677 9.055 8.290 437 2HB SER 62 2HB SER 62 -2.311 10.055 9.713 438 HG SER 62 HG SER 62 -2.610 11.266 7.760 Start of MODEL 15 1 1H THR 1 1H THR 1 0.105 18.884 -11.106 2 2H THR 1 2H THR 1 -0.089 17.477 -10.250 3 3H THR 1 3H THR 1 -1.085 18.758 -9.968 4 HA THR 1 HA THR 1 1.792 18.790 -9.474 5 HB THR 1 HB THR 1 1.277 20.850 -8.217 6 HG1 THR 1 HG1 THR 1 -0.816 21.740 -8.500 7 1HG2 THR 1 1HG2 THR 1 1.935 20.957 -10.639 8 2HG2 THR 1 2HG2 THR 1 0.212 21.027 -11.072 9 3HG2 THR 1 3HG2 THR 1 0.939 22.320 -10.105 10 H LYS 2 H LYS 2 1.923 19.341 -6.865 11 HA LYS 2 HA LYS 2 1.418 16.858 -5.637 12 1HB LYS 2 1HB LYS 2 3.203 18.452 -5.009 13 2HB LYS 2 2HB LYS 2 1.985 19.536 -4.311 14 1HG LYS 2 1HG LYS 2 1.277 17.622 -2.794 15 2HG LYS 2 2HG LYS 2 2.632 16.679 -3.426 16 1HD LYS 2 1HD LYS 2 2.869 19.372 -2.000 17 2HD LYS 2 2HD LYS 2 3.023 17.792 -1.216 18 1HE LYS 2 1HE LYS 2 4.948 17.241 -2.705 19 2HE LYS 2 2HE LYS 2 4.859 18.873 -3.401 20 1HZ LYS 2 1HZ LYS 2 6.481 18.693 -1.656 21 2HZ LYS 2 2HZ LYS 2 5.300 19.768 -1.251 22 3HZ LYS 2 3HZ LYS 2 5.322 18.269 -0.566 23 H SER 3 H SER 3 -0.580 16.076 -5.314 24 HA SER 3 HA SER 3 -2.891 17.786 -4.789 25 1HB SER 3 1HB SER 3 -4.099 15.633 -5.102 26 2HB SER 3 2HB SER 3 -2.949 15.935 -6.411 27 HG SER 3 HG SER 3 -2.606 14.214 -4.181 28 H THR 4 H THR 4 -4.510 16.557 -3.185 29 HA THR 4 HA THR 4 -3.397 16.331 -0.514 30 HB THR 4 HB THR 4 -5.710 17.079 -0.942 31 HG1 THR 4 HG1 THR 4 -6.615 15.762 0.666 32 1HG2 THR 4 1HG2 THR 4 -6.252 14.201 -1.817 33 2HG2 THR 4 2HG2 THR 4 -7.469 15.448 -1.503 34 3HG2 THR 4 3HG2 THR 4 -6.342 15.641 -2.852 35 H THR 5 H THR 5 -3.952 14.227 0.663 36 HA THR 5 HA THR 5 -2.324 12.513 0.981 37 HB THR 5 HB THR 5 -4.461 12.003 1.797 38 HG1 THR 5 HG1 THR 5 -2.955 10.319 1.793 39 1HG2 THR 5 1HG2 THR 5 -5.271 10.858 -0.908 40 2HG2 THR 5 2HG2 THR 5 -6.193 10.802 0.599 41 3HG2 THR 5 3HG2 THR 5 -5.884 12.358 -0.181 42 H THR 6 H THR 6 -0.655 12.662 -0.477 43 HA THR 6 HA THR 6 -0.703 11.628 -3.152 44 HB THR 6 HB THR 6 1.728 12.007 -2.993 45 HG1 THR 6 HG1 THR 6 1.957 11.405 -0.787 46 1HG2 THR 6 1HG2 THR 6 0.105 14.286 -1.784 47 2HG2 THR 6 2HG2 THR 6 1.680 14.413 -2.582 48 3HG2 THR 6 3HG2 THR 6 0.255 13.915 -3.515 49 H ALA 7 H ALA 7 1.165 10.048 -3.721 50 HA ALA 7 HA ALA 7 0.395 7.466 -2.878 51 1HB ALA 7 1HB ALA 7 1.429 7.896 -5.038 52 2HB ALA 7 2HB ALA 7 2.963 8.338 -4.249 53 3HB ALA 7 3HB ALA 7 2.339 6.678 -4.116 54 H CYS 8 H CYS 8 0.695 6.563 -0.982 55 HA CYS 8 HA CYS 8 3.142 7.055 0.648 56 1HB CYS 8 1HB CYS 8 1.813 7.614 2.527 57 2HB CYS 8 2HB CYS 8 1.275 8.652 1.245 58 H CYS 9 H CYS 9 2.465 5.780 2.785 59 HA CYS 9 HA CYS 9 1.126 3.302 2.631 60 1HB CYS 9 1HB CYS 9 3.198 2.855 1.121 61 2HB CYS 9 2HB CYS 9 4.160 3.065 2.575 62 H ASP 10 H ASP 10 1.767 2.026 4.738 63 HA ASP 10 HA ASP 10 2.979 3.855 6.787 64 1HB ASP 10 1HB ASP 10 0.646 3.264 7.260 65 2HB ASP 10 2HB ASP 10 1.055 1.545 7.181 66 HD2 ASP 10 HD2 ASP 10 3.196 3.007 10.191 67 H PHE 11 H PHE 11 2.546 0.352 6.013 68 HA PHE 11 HA PHE 11 5.406 -0.124 6.721 69 1HB PHE 11 1HB PHE 11 3.057 -2.007 6.895 70 2HB PHE 11 2HB PHE 11 4.690 -2.276 7.483 71 HD1 PHE 11 HD1 PHE 11 1.655 -2.095 8.793 72 HD2 PHE 11 HD2 PHE 11 5.292 0.230 8.980 73 HE1 PHE 11 HE1 PHE 11 0.994 -1.218 11.010 74 HE2 PHE 11 HE2 PHE 11 4.610 1.109 11.183 75 HZ PHE 11 HZ PHE 11 2.473 0.372 12.218 76 H CYS 12 H CYS 12 6.472 -0.274 4.881 77 HA CYS 12 HA CYS 12 5.440 -2.061 2.781 78 1HB CYS 12 1HB CYS 12 7.062 -0.595 1.293 79 2HB CYS 12 2HB CYS 12 5.350 -0.344 1.488 80 HA PRO 13 HA PRO 13 9.387 -4.029 3.951 81 1HB PRO 13 1HB PRO 13 8.573 -6.623 3.632 82 2HB PRO 13 2HB PRO 13 8.291 -5.688 5.127 83 1HG PRO 13 1HG PRO 13 6.374 -6.127 2.824 84 2HG PRO 13 2HG PRO 13 6.056 -6.352 4.570 85 1HD PRO 13 1HD PRO 13 5.339 -4.106 3.274 86 2HD PRO 13 2HD PRO 13 5.983 -4.006 4.938 87 H CYS 14 H CYS 14 10.627 -5.610 2.555 88 HA CYS 14 HA CYS 14 9.829 -5.632 -0.276 89 1HB CYS 14 1HB CYS 14 12.620 -5.011 0.745 90 2HB CYS 14 2HB CYS 14 12.112 -5.059 -0.935 91 H THR 15 H THR 15 10.879 -7.261 -1.503 92 HA THR 15 HA THR 15 11.307 -9.740 0.035 93 HB THR 15 HB THR 15 11.202 -10.745 -2.271 94 HG1 THR 15 HG1 THR 15 10.412 -8.135 -3.038 95 1HG2 THR 15 1HG2 THR 15 9.191 -10.572 -0.828 96 2HG2 THR 15 2HG2 THR 15 8.835 -8.972 -1.512 97 3HG2 THR 15 3HG2 THR 15 8.786 -10.412 -2.549 98 H ARG 16 H ARG 16 13.083 -11.174 -0.659 99 HA ARG 16 HA ARG 16 15.628 -9.659 -1.097 100 1HB ARG 16 1HB ARG 16 15.078 -12.347 0.215 101 2HB ARG 16 2HB ARG 16 16.665 -11.588 0.003 102 1HG ARG 16 1HG ARG 16 15.947 -9.666 1.399 103 2HG ARG 16 2HG ARG 16 14.375 -10.454 1.665 104 1HD ARG 16 1HD ARG 16 15.539 -12.422 2.627 105 2HD ARG 16 2HD ARG 16 17.099 -11.591 2.433 106 HE ARG 16 HE ARG 16 15.600 -9.798 3.871 107 1HH1 ARG 16 1HH1 ARG 16 16.509 -13.197 4.356 108 2HH1 ARG 16 2HH1 ARG 16 16.432 -13.102 6.095 109 1HH2 ARG 16 1HH2 ARG 16 15.519 -9.681 6.152 110 2HH2 ARG 16 2HH2 ARG 16 15.874 -11.086 7.124 111 H SER 17 H SER 17 13.831 -10.398 -3.288 112 HA SER 17 HA SER 17 15.162 -12.588 -4.714 113 1HB SER 17 1HB SER 17 13.365 -11.777 -6.435 114 2HB SER 17 2HB SER 17 12.839 -12.593 -4.962 115 HG SER 17 HG SER 17 11.641 -10.704 -5.303 116 H ILE 18 H ILE 18 15.389 -11.936 -7.141 117 HA ILE 18 HA ILE 18 16.965 -9.431 -7.385 118 HB ILE 18 HB ILE 18 18.349 -11.338 -6.915 119 1HG1 ILE 18 1HG1 ILE 18 19.287 -9.440 -8.019 120 2HG1 ILE 18 2HG1 ILE 18 20.066 -10.938 -8.522 121 1HG2 ILE 18 1HG2 ILE 18 17.628 -12.571 -9.590 122 2HG2 ILE 18 2HG2 ILE 18 18.865 -13.092 -8.448 123 3HG2 ILE 18 3HG2 ILE 18 17.160 -13.169 -7.987 124 1HD1 ILE 18 1HD1 ILE 18 19.840 -9.514 -10.435 125 2HD1 ILE 18 2HD1 ILE 18 18.718 -10.864 -10.658 126 3HD1 ILE 18 3HD1 ILE 18 18.117 -9.265 -10.155 127 HA PRO 19 HA PRO 19 16.524 -7.562 -8.297 128 1HB PRO 19 1HB PRO 19 14.614 -5.801 -9.011 129 2HB PRO 19 2HB PRO 19 15.917 -6.299 -10.130 130 1HG PRO 19 1HG PRO 19 13.094 -7.402 -9.972 131 2HG PRO 19 2HG PRO 19 13.957 -6.816 -11.427 132 1HD PRO 19 1HD PRO 19 13.863 -9.464 -10.759 133 2HD PRO 19 2HD PRO 19 15.331 -8.755 -11.486 134 HA PRO 20 HA PRO 20 13.574 -8.123 -4.912 135 1HB PRO 20 1HB PRO 20 14.107 -6.031 -3.285 136 2HB PRO 20 2HB PRO 20 15.286 -7.343 -3.580 137 1HG PRO 20 1HG PRO 20 15.183 -4.630 -4.928 138 2HG PRO 20 2HG PRO 20 16.597 -5.430 -4.184 139 1HD PRO 20 1HD PRO 20 16.073 -5.548 -6.880 140 2HD PRO 20 2HD PRO 20 16.827 -6.911 -6.000 141 H GLN 21 H GLN 21 11.448 -7.592 -4.548 142 HA GLN 21 HA GLN 21 10.280 -5.154 -5.840 143 1HB GLN 21 1HB GLN 21 9.110 -7.860 -5.082 144 2HB GLN 21 2HB GLN 21 8.179 -6.458 -5.586 145 1HG GLN 21 1HG GLN 21 8.470 -7.023 -7.733 146 2HG GLN 21 2HG GLN 21 10.205 -6.745 -7.580 147 1HE2 GLN 21 1HE2 GLN 21 11.596 -8.603 -6.996 148 2HE2 GLN 21 2HE2 GLN 21 11.033 -10.226 -7.314 149 H CYS 22 H CYS 22 9.416 -3.673 -4.498 150 HA CYS 22 HA CYS 22 9.006 -4.305 -1.611 151 1HB CYS 22 1HB CYS 22 9.389 -1.681 -2.987 152 2HB CYS 22 2HB CYS 22 9.092 -1.888 -1.260 153 H GLN 23 H GLN 23 7.068 -3.884 -0.702 154 HA GLN 23 HA GLN 23 4.846 -2.759 -2.233 155 1HB GLN 23 1HB GLN 23 3.563 -4.788 -2.086 156 2HB GLN 23 2HB GLN 23 4.976 -5.078 -3.092 157 1HG GLN 23 1HG GLN 23 4.607 -5.939 -0.170 158 2HG GLN 23 2HG GLN 23 4.398 -6.972 -1.583 159 1HE2 GLN 23 1HE2 GLN 23 6.495 -6.663 -3.192 160 2HE2 GLN 23 2HE2 GLN 23 8.007 -6.967 -2.358 161 H CYS 24 H CYS 24 2.783 -3.001 -0.840 162 HA CYS 24 HA CYS 24 3.520 -2.316 1.963 163 1HB CYS 24 1HB CYS 24 1.123 -1.656 0.299 164 2HB CYS 24 2HB CYS 24 1.268 -1.268 2.006 165 H THR 25 H THR 25 2.550 -3.244 3.652 166 HA THR 25 HA THR 25 0.784 -5.619 3.187 167 HB THR 25 HB THR 25 3.016 -6.223 3.966 168 HG1 THR 25 HG1 THR 25 0.882 -6.508 5.800 169 1HG2 THR 25 1HG2 THR 25 3.587 -4.163 5.194 170 2HG2 THR 25 2HG2 THR 25 2.340 -4.521 6.407 171 3HG2 THR 25 3HG2 THR 25 3.746 -5.597 6.220 172 H ASP 26 H ASP 26 1.054 -2.465 4.638 173 HA ASP 26 HA ASP 26 -0.632 -2.844 6.864 174 1HB ASP 26 1HB ASP 26 0.807 -0.908 6.629 175 2HB ASP 26 2HB ASP 26 -0.075 -0.375 5.183 176 HD2 ASP 26 HD2 ASP 26 -2.090 -0.159 8.722 177 H VAL 27 H VAL 27 -2.735 -2.053 7.178 178 HA VAL 27 HA VAL 27 -4.613 -2.223 4.860 179 HB VAL 27 HB VAL 27 -4.923 -3.457 7.635 180 1HG1 VAL 27 1HG1 VAL 27 -7.080 -2.622 6.829 181 2HG1 VAL 27 2HG1 VAL 27 -6.830 -3.410 5.251 182 3HG1 VAL 27 3HG1 VAL 27 -7.038 -4.388 6.720 183 1HG2 VAL 27 1HG2 VAL 27 -5.021 -5.602 6.342 184 2HG2 VAL 27 2HG2 VAL 27 -4.604 -4.707 4.866 185 3HG2 VAL 27 3HG2 VAL 27 -3.447 -4.812 6.210 186 H ARG 28 H ARG 28 -6.322 -0.783 4.931 187 HA ARG 28 HA ARG 28 -6.791 1.076 7.100 188 1HB ARG 28 1HB ARG 28 -4.544 1.719 5.770 189 2HB ARG 28 2HB ARG 28 -5.661 2.307 4.575 190 1HG ARG 28 1HG ARG 28 -5.137 4.179 5.895 191 2HG ARG 28 2HG ARG 28 -6.738 3.720 6.479 192 1HD ARG 28 1HD ARG 28 -5.300 4.315 8.308 193 2HD ARG 28 2HD ARG 28 -5.721 2.597 8.431 194 HE ARG 28 HE ARG 28 -3.319 2.636 7.033 195 1HH1 ARG 28 1HH1 ARG 28 -4.400 3.823 10.184 196 2HH1 ARG 28 2HH1 ARG 28 -2.836 3.625 10.936 197 1HH2 ARG 28 1HH2 ARG 28 -1.311 2.353 8.004 198 2HH2 ARG 28 2HH2 ARG 28 -1.036 2.764 9.676 199 H GLU 29 H GLU 29 -7.680 3.071 4.975 200 HA GLU 29 HA GLU 29 -10.079 1.693 3.962 201 1HB GLU 29 1HB GLU 29 -10.134 3.866 5.325 202 2HB GLU 29 2HB GLU 29 -9.460 4.675 3.908 203 1HG GLU 29 1HG GLU 29 -11.439 3.727 2.590 204 2HG GLU 29 2HG GLU 29 -12.043 3.051 4.105 205 HE2 GLU 29 HE2 GLU 29 -12.937 6.236 5.427 206 H LYS 30 H LYS 30 -9.621 4.206 1.925 207 HA LYS 30 HA LYS 30 -9.346 2.466 -0.216 208 1HB LYS 30 1HB LYS 30 -9.521 4.468 -1.587 209 2HB LYS 30 2HB LYS 30 -10.622 4.512 -0.228 210 1HG LYS 30 1HG LYS 30 -8.951 6.022 0.990 211 2HG LYS 30 2HG LYS 30 -7.939 5.963 -0.457 212 1HD LYS 30 1HD LYS 30 -9.113 7.994 -0.580 213 2HD LYS 30 2HD LYS 30 -9.882 6.929 -1.768 214 1HE LYS 30 1HE LYS 30 -11.730 6.476 -0.145 215 2HE LYS 30 2HE LYS 30 -10.912 7.485 1.062 216 1HZ LYS 30 1HZ LYS 30 -12.634 8.658 -0.051 217 2HZ LYS 30 2HZ LYS 30 -11.180 9.343 -0.416 218 3HZ LYS 30 3HZ LYS 30 -11.948 8.395 -1.526 219 H CYS 31 H CYS 31 -8.005 3.031 -2.149 220 HA CYS 31 HA CYS 31 -5.281 2.339 -1.607 221 1HB CYS 31 1HB CYS 31 -6.025 3.302 -4.315 222 2HB CYS 31 2HB CYS 31 -5.140 1.869 -3.819 223 H HIS 32 H HIS 32 -3.369 3.641 -2.135 224 HA HIS 32 HA HIS 32 -3.742 6.520 -1.918 225 1HB HIS 32 1HB HIS 32 -1.366 6.667 -1.732 226 2HB HIS 32 2HB HIS 32 -2.014 5.476 -0.666 227 HD1 HIS 32 HD1 HIS 32 0.150 5.703 -3.814 228 HD2 HIS 32 HD2 HIS 32 -1.137 2.961 -0.908 229 HE1 HIS 32 HE1 HIS 32 1.652 3.653 -3.995 230 HE2 HIS 32 HE2 HIS 32 0.865 1.933 -2.284 231 H SER 33 H SER 33 -1.980 7.715 -3.310 232 HA SER 33 HA SER 33 -3.189 7.804 -5.918 233 1HB SER 33 1HB SER 33 -2.566 9.773 -4.483 234 2HB SER 33 2HB SER 33 -0.876 9.424 -4.895 235 HG SER 33 HG SER 33 -1.497 9.624 -7.104 236 H ALA 34 H ALA 34 -1.344 5.392 -5.321 237 HA ALA 34 HA ALA 34 -0.317 5.290 -8.015 238 1HB ALA 34 1HB ALA 34 1.595 6.507 -7.010 239 2HB ALA 34 2HB ALA 34 1.757 5.233 -5.783 240 3HB ALA 34 3HB ALA 34 2.039 4.865 -7.494 241 H CYS 35 H CYS 35 -2.128 3.730 -7.553 242 HA CYS 35 HA CYS 35 -1.066 1.161 -6.484 243 1HB CYS 35 1HB CYS 35 -3.812 2.381 -6.162 244 2HB CYS 35 2HB CYS 35 -3.406 0.702 -5.766 245 H LYS 36 H LYS 36 -0.962 -0.369 -7.881 246 HA LYS 36 HA LYS 36 -2.568 -0.338 -10.383 247 1HB LYS 36 1HB LYS 36 0.216 -0.725 -9.861 248 2HB LYS 36 2HB LYS 36 -0.412 -2.313 -10.288 249 1HG LYS 36 1HG LYS 36 -0.822 0.222 -11.938 250 2HG LYS 36 2HG LYS 36 0.493 -0.941 -12.170 251 1HD LYS 36 1HD LYS 36 -1.127 -2.740 -12.664 252 2HD LYS 36 2HD LYS 36 -2.474 -1.627 -12.387 253 1HE LYS 36 1HE LYS 36 -2.093 -1.869 -14.775 254 2HE LYS 36 2HE LYS 36 -1.729 -0.209 -14.274 255 1HZ LYS 36 1HZ LYS 36 0.257 -2.329 -14.727 256 2HZ LYS 36 2HZ LYS 36 -0.098 -1.107 -15.771 257 3HZ LYS 36 3HZ LYS 36 0.587 -0.767 -14.315 258 H SER 37 H SER 37 -1.742 -2.067 -7.445 259 HA SER 37 HA SER 37 -3.984 -3.976 -7.908 260 1HB SER 37 1HB SER 37 -1.782 -5.135 -7.826 261 2HB SER 37 2HB SER 37 -1.476 -4.415 -6.242 262 HG SER 37 HG SER 37 -2.391 -6.517 -6.110 263 H CYS 38 H CYS 38 -5.580 -3.738 -6.463 264 HA CYS 38 HA CYS 38 -5.155 -2.798 -3.757 265 1HB CYS 38 1HB CYS 38 -5.350 -0.700 -5.125 266 2HB CYS 38 2HB CYS 38 -6.941 -1.230 -5.667 267 H LEU 39 H LEU 39 -6.859 -3.468 -2.390 268 HA LEU 39 HA LEU 39 -9.144 -4.891 -3.565 269 1HB LEU 39 1HB LEU 39 -6.861 -6.358 -3.388 270 2HB LEU 39 2HB LEU 39 -7.328 -6.441 -1.720 271 HG LEU 39 HG LEU 39 -9.472 -7.536 -2.347 272 1HD1 LEU 39 1HD1 LEU 39 -8.323 -7.384 -5.175 273 2HD1 LEU 39 2HD1 LEU 39 -9.681 -8.418 -4.687 274 3HD1 LEU 39 3HD1 LEU 39 -9.852 -6.664 -4.623 275 1HD2 LEU 39 1HD2 LEU 39 -8.458 -9.666 -3.004 276 2HD2 LEU 39 2HD2 LEU 39 -6.978 -8.826 -3.515 277 3HD2 LEU 39 3HD2 LEU 39 -7.448 -8.843 -1.803 278 H CYS 40 H CYS 40 -10.482 -5.933 -1.766 279 HA CYS 40 HA CYS 40 -10.083 -4.713 0.879 280 1HB CYS 40 1HB CYS 40 -12.723 -4.789 -0.577 281 2HB CYS 40 2HB CYS 40 -12.477 -4.237 1.072 282 H THR 41 H THR 41 -11.369 -5.747 2.541 283 HA THR 41 HA THR 41 -11.138 -8.654 2.336 284 HB THR 41 HB THR 41 -11.906 -8.544 4.718 285 HG1 THR 41 HG1 THR 41 -13.036 -6.521 4.437 286 1HG2 THR 41 1HG2 THR 41 -9.836 -7.521 5.575 287 2HG2 THR 41 2HG2 THR 41 -9.525 -8.563 4.171 288 3HG2 THR 41 3HG2 THR 41 -9.521 -6.795 3.985 289 H ARG 42 H ARG 42 -12.801 -10.110 2.641 290 HA ARG 42 HA ARG 42 -15.528 -9.237 1.851 291 1HB ARG 42 1HB ARG 42 -15.831 -11.621 1.306 292 2HB ARG 42 2HB ARG 42 -14.605 -10.808 0.323 293 1HG ARG 42 1HG ARG 42 -12.808 -11.856 1.542 294 2HG ARG 42 2HG ARG 42 -13.937 -12.528 2.736 295 1HD ARG 42 1HD ARG 42 -15.031 -13.835 0.857 296 2HD ARG 42 2HD ARG 42 -13.785 -13.214 -0.229 297 HE ARG 42 HE ARG 42 -12.262 -14.693 0.624 298 1HH1 ARG 42 1HH1 ARG 42 -15.018 -14.552 2.869 299 2HH1 ARG 42 2HH1 ARG 42 -14.478 -15.920 3.807 300 1HH2 ARG 42 1HH2 ARG 42 -11.563 -16.468 1.883 301 2HH2 ARG 42 2HH2 ARG 42 -12.503 -17.003 3.252 302 H SER 43 H SER 43 -15.012 -8.455 4.322 303 HA SER 43 HA SER 43 -16.831 -10.050 5.890 304 1HB SER 43 1HB SER 43 -14.560 -11.067 6.381 305 2HB SER 43 2HB SER 43 -14.046 -9.496 7.019 306 HG SER 43 HG SER 43 -16.131 -11.203 7.940 307 H PHE 44 H PHE 44 -16.272 -8.804 8.300 308 HA PHE 44 HA PHE 44 -16.846 -5.931 7.775 309 1HB PHE 44 1HB PHE 44 -18.932 -7.245 8.142 310 2HB PHE 44 2HB PHE 44 -18.367 -7.615 9.768 311 HD1 PHE 44 HD1 PHE 44 -19.640 -4.996 7.492 312 HD2 PHE 44 HD2 PHE 44 -18.244 -5.814 11.491 313 HE1 PHE 44 HE1 PHE 44 -20.540 -2.815 8.256 314 HE2 PHE 44 HE2 PHE 44 -19.146 -3.630 12.246 315 HZ PHE 44 HZ PHE 44 -20.305 -2.135 10.634 316 HA PRO 45 HA PRO 45 -16.527 -3.969 8.861 317 1HB PRO 45 1HB PRO 45 -14.380 -2.279 9.099 318 2HB PRO 45 2HB PRO 45 -15.568 -2.578 10.400 319 1HG PRO 45 1HG PRO 45 -12.863 -3.875 10.034 320 2HG PRO 45 2HG PRO 45 -13.546 -3.165 11.523 321 1HD PRO 45 1HD PRO 45 -13.633 -5.851 11.015 322 2HD PRO 45 2HD PRO 45 -14.982 -5.023 11.844 323 HA PRO 46 HA PRO 46 -14.520 -4.960 4.956 324 1HB PRO 46 1HB PRO 46 -15.498 -3.023 3.326 325 2HB PRO 46 2HB PRO 46 -16.532 -4.295 4.036 326 1HG PRO 46 1HG PRO 46 -16.156 -1.463 5.051 327 2HG PRO 46 2HG PRO 46 -17.686 -2.340 4.778 328 1HD PRO 46 1HD PRO 46 -16.491 -2.193 7.242 329 2HD PRO 46 2HD PRO 46 -17.396 -3.644 6.709 330 H GLN 47 H GLN 47 -12.335 -4.672 5.387 331 HA GLN 47 HA GLN 47 -11.153 -1.945 5.531 332 1HB GLN 47 1HB GLN 47 -10.286 -4.733 6.383 333 2HB GLN 47 2HB GLN 47 -9.240 -3.312 6.441 334 1HG GLN 47 1HG GLN 47 -10.597 -2.205 8.056 335 2HG GLN 47 2HG GLN 47 -11.912 -3.369 7.871 336 1HE2 GLN 47 1HE2 GLN 47 -11.474 -5.661 8.470 337 2HE2 GLN 47 2HE2 GLN 47 -10.362 -5.978 9.790 338 H CYS 48 H CYS 48 -9.527 -1.351 4.084 339 HA CYS 48 HA CYS 48 -9.148 -3.139 1.747 340 1HB CYS 48 1HB CYS 48 -9.745 -0.200 1.920 341 2HB CYS 48 2HB CYS 48 -9.348 -1.042 0.427 342 H ARG 49 H ARG 49 -7.299 -2.837 0.485 343 HA ARG 49 HA ARG 49 -5.058 -1.375 1.698 344 1HB ARG 49 1HB ARG 49 -3.829 -3.142 2.213 345 2HB ARG 49 2HB ARG 49 -5.369 -3.943 2.426 346 1HG ARG 49 1HG ARG 49 -3.473 -4.123 0.045 347 2HG ARG 49 2HG ARG 49 -3.723 -5.356 1.261 348 1HD ARG 49 1HD ARG 49 -6.138 -4.495 -0.335 349 2HD ARG 49 2HD ARG 49 -4.886 -5.411 -1.144 350 HE ARG 49 HE ARG 49 -5.351 -7.287 0.034 351 1HH1 ARG 49 1HH1 ARG 49 -7.221 -4.676 1.516 352 2HH1 ARG 49 2HH1 ARG 49 -8.537 -5.718 1.998 353 1HH2 ARG 49 1HH2 ARG 49 -7.145 -8.593 0.474 354 2HH2 ARG 49 2HH2 ARG 49 -8.516 -7.956 1.349 355 H CYS 50 H CYS 50 -3.192 -1.373 0.324 356 HA CYS 50 HA CYS 50 -3.746 -1.600 -2.606 357 1HB CYS 50 1HB CYS 50 -3.689 0.720 -2.138 358 2HB CYS 50 2HB CYS 50 -2.269 0.563 -1.097 359 H TYR 51 H TYR 51 -2.375 -2.987 -3.570 360 HA TYR 51 HA TYR 51 -0.125 -4.083 -1.946 361 1HB TYR 51 1HB TYR 51 -2.352 -5.341 -2.279 362 2HB TYR 51 2HB TYR 51 -1.879 -5.543 -3.950 363 HD1 TYR 51 HD1 TYR 51 1.179 -5.871 -2.131 364 HD2 TYR 51 HD2 TYR 51 -2.567 -7.889 -2.891 365 HE1 TYR 51 HE1 TYR 51 2.175 -8.004 -1.423 366 HE2 TYR 51 HE2 TYR 51 -1.549 -10.028 -2.177 367 HH TYR 51 HH TYR 51 0.322 -11.061 -1.316 368 H ASP 52 H ASP 52 0.224 -1.906 -3.757 369 HA ASP 52 HA ASP 52 0.852 -2.598 -6.397 370 1HB ASP 52 1HB ASP 52 1.906 -0.402 -6.498 371 2HB ASP 52 2HB ASP 52 0.408 -0.328 -5.566 372 HD2 ASP 52 HD2 ASP 52 4.002 0.180 -3.722 373 H ILE 53 H ILE 53 2.860 -2.803 -7.506 374 HA ILE 53 HA ILE 53 5.107 -3.949 -5.898 375 HB ILE 53 HB ILE 53 4.411 -4.392 -8.824 376 1HG1 ILE 53 1HG1 ILE 53 2.729 -5.497 -7.476 377 2HG1 ILE 53 2HG1 ILE 53 3.816 -6.671 -8.208 378 1HG2 ILE 53 1HG2 ILE 53 6.801 -4.588 -8.489 379 2HG2 ILE 53 2HG2 ILE 53 6.579 -5.524 -7.007 380 3HG2 ILE 53 3HG2 ILE 53 6.148 -6.227 -8.580 381 1HD1 ILE 53 1HD1 ILE 53 3.901 -5.753 -5.297 382 2HD1 ILE 53 2HD1 ILE 53 3.287 -7.293 -5.909 383 3HD1 ILE 53 3HD1 ILE 53 5.015 -6.925 -6.040 384 H THR 54 H THR 54 6.336 -2.240 -5.439 385 HA THR 54 HA THR 54 7.453 -0.650 -7.709 386 HB THR 54 HB THR 54 8.035 0.989 -5.790 387 HG1 THR 54 HG1 THR 54 7.580 -0.155 -3.976 388 1HG2 THR 54 1HG2 THR 54 5.797 2.005 -5.850 389 2HG2 THR 54 2HG2 THR 54 6.337 1.490 -7.457 390 3HG2 THR 54 3HG2 THR 54 5.134 0.525 -6.578 391 H ASP 55 H ASP 55 9.752 0.181 -6.755 392 HA ASP 55 HA ASP 55 11.223 -2.241 -5.792 393 1HB ASP 55 1HB ASP 55 11.587 -0.900 -8.150 394 2HB ASP 55 2HB ASP 55 12.710 -0.024 -7.110 395 HD2 ASP 55 HD2 ASP 55 14.568 -3.089 -6.462 396 H PHE 56 H PHE 56 9.800 0.310 -4.529 397 HA PHE 56 HA PHE 56 11.832 0.861 -2.466 398 1HB PHE 56 1HB PHE 56 11.224 3.317 -2.757 399 2HB PHE 56 2HB PHE 56 12.229 2.619 -4.003 400 HD1 PHE 56 HD1 PHE 56 11.373 2.333 -6.303 401 HD2 PHE 56 HD2 PHE 56 8.836 3.881 -3.176 402 HE1 PHE 56 HE1 PHE 56 9.658 2.939 -7.990 403 HE2 PHE 56 HE2 PHE 56 7.140 4.507 -4.871 404 HZ PHE 56 HZ PHE 56 7.538 4.026 -7.275 405 H CYS 57 H CYS 57 10.850 2.267 -0.821 406 HA CYS 57 HA CYS 57 8.002 1.572 -0.207 407 1HB CYS 57 1HB CYS 57 9.448 0.277 1.175 408 2HB CYS 57 2HB CYS 57 10.441 1.694 1.555 409 H TYR 58 H TYR 58 6.779 3.178 0.508 410 HA TYR 58 HA TYR 58 7.583 5.909 -0.069 411 1HB TYR 58 1HB TYR 58 4.968 4.719 0.947 412 2HB TYR 58 2HB TYR 58 5.196 6.339 0.327 413 HD1 TYR 58 HD1 TYR 58 5.464 6.773 -2.088 414 HD2 TYR 58 HD2 TYR 58 4.906 2.768 -0.586 415 HE1 TYR 58 HE1 TYR 58 4.772 6.016 -4.346 416 HE2 TYR 58 HE2 TYR 58 4.206 2.022 -2.829 417 HH TYR 58 HH TYR 58 3.768 2.645 -5.017 418 HA PRO 59 HA PRO 59 8.021 7.052 4.305 419 1HB PRO 59 1HB PRO 59 7.213 9.672 4.310 420 2HB PRO 59 2HB PRO 59 8.757 9.131 3.590 421 1HG PRO 59 1HG PRO 59 6.125 9.618 2.167 422 2HG PRO 59 2HG PRO 59 7.743 10.242 1.723 423 1HD PRO 59 1HD PRO 59 6.695 8.032 0.553 424 2HD PRO 59 2HD PRO 59 8.437 8.103 0.943 425 H SER 60 H SER 60 6.630 7.764 6.170 426 HA SER 60 HA SER 60 4.341 6.214 6.158 427 1HB SER 60 1HB SER 60 4.105 7.857 8.393 428 2HB SER 60 2HB SER 60 4.846 6.259 8.270 429 HG SER 60 HG SER 60 6.247 7.887 9.153 430 H CYS 61 H CYS 61 2.278 6.554 5.867 431 HA CYS 61 HA CYS 61 1.255 9.058 4.795 432 1HB CYS 61 1HB CYS 61 0.636 6.496 4.326 433 2HB CYS 61 2HB CYS 61 -0.574 6.794 5.558 434 H SER 62 H SER 62 -1.201 9.433 5.737 435 HA SER 62 HA SER 62 -1.026 10.187 8.580 436 1HB SER 62 1HB SER 62 -2.057 11.699 6.890 437 2HB SER 62 2HB SER 62 -3.289 10.463 6.553 438 HG SER 62 HG SER 62 -2.790 11.707 9.060
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