NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27198 | 2pjf | 5117 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 HT1 GLY 1 -13.281 -9.102 12.831 2 2H GLY 1 HT2 GLY 1 -11.702 -8.708 13.322 3 3H GLY 1 HT3 GLY 1 -12.029 -9.037 11.688 4 1HA GLY 1 HA1 GLY 1 -13.723 -6.962 12.575 5 2HA GLY 1 HA2 GLY 1 -12.046 -6.568 12.951 6 H LYS 2 H LYS 2 -13.287 -8.518 10.245 7 HA LYS 2 HA LYS 2 -11.709 -6.862 8.386 8 1HB LYS 2 HB2 LYS 2 -13.249 -9.441 8.164 9 2HB LYS 2 HB1 LYS 2 -12.758 -8.571 6.710 10 1HG LYS 2 HG2 LYS 2 -10.411 -8.594 7.499 11 2HG LYS 2 HG1 LYS 2 -10.911 -9.501 8.926 12 1HD LYS 2 HD2 LYS 2 -11.410 -11.427 7.692 13 2HD LYS 2 HD1 LYS 2 -11.593 -10.529 6.184 14 1HE LYS 2 HE2 LYS 2 -8.925 -10.204 7.296 15 2HE LYS 2 HE1 LYS 2 -9.308 -11.904 7.023 16 1HZ LYS 2 HZ1 LYS 2 -9.840 -11.454 4.767 17 2HZ LYS 2 HZ2 LYS 2 -8.328 -10.742 5.077 18 3HZ LYS 2 HZ3 LYS 2 -9.726 -9.778 4.998 19 H GLU 3 H GLU 3 -13.678 -5.303 9.477 20 HA GLU 3 HA GLU 3 -15.658 -5.076 7.243 21 1HB GLU 3 HB2 GLU 3 -15.993 -4.601 10.211 22 2HB GLU 3 HB1 GLU 3 -17.106 -3.919 9.026 23 1HG GLU 3 HG2 GLU 3 -18.052 -6.010 9.741 24 2HG GLU 3 HG1 GLU 3 -17.415 -6.265 8.117 25 H CYS 4 H CYS 4 -13.029 -3.649 8.773 26 HA CYS 4 HA CYS 4 -13.775 -1.011 7.589 27 1HB CYS 4 HB2 CYS 4 -12.859 -1.651 10.341 28 2HB CYS 4 HB1 CYS 4 -12.113 -0.245 9.584 29 H ASP 5 H ASP 5 -12.358 -0.577 5.971 30 HA ASP 5 HA ASP 5 -9.675 -1.853 6.044 31 1HB ASP 5 HB2 ASP 5 -10.928 -2.126 3.967 32 2HB ASP 5 HB1 ASP 5 -11.147 -0.380 3.837 33 H CYS 6 H CYS 6 -11.183 1.128 6.711 34 HA CYS 6 HA CYS 6 -8.506 2.451 6.756 35 1HB CYS 6 HB2 CYS 6 -9.492 4.529 5.971 36 2HB CYS 6 HB1 CYS 6 -9.879 3.255 4.814 37 H SER 7 H SER 7 -8.448 4.279 8.333 38 HA SER 7 HA SER 7 -10.040 3.581 10.726 39 1HB SER 7 HB2 SER 7 -7.481 4.985 10.195 40 2HB SER 7 HB1 SER 7 -8.422 5.595 11.553 41 HG SER 7 HG SER 7 -6.868 3.724 11.844 42 H SER 8 H SER 8 -9.444 6.361 8.584 43 HA SER 8 HA SER 8 -11.298 8.058 10.073 44 1HB SER 8 HB2 SER 8 -10.398 8.626 7.263 45 2HB SER 8 HB1 SER 8 -10.713 9.759 8.576 46 HG SER 8 HG SER 8 -8.431 8.435 7.912 47 HA PRO 9 HA PRO 9 -14.847 6.485 7.912 48 1HB PRO 9 HB2 PRO 9 -16.650 8.237 9.022 49 2HB PRO 9 HB1 PRO 9 -16.018 6.815 9.871 50 1HG PRO 9 HG2 PRO 9 -15.344 9.692 10.270 51 2HG PRO 9 HG1 PRO 9 -15.248 8.346 11.418 52 1HD PRO 9 HD2 PRO 9 -13.069 9.496 10.015 53 2HD PRO 9 HD1 PRO 9 -13.044 7.968 10.921 54 H GLU 10 H GLU 10 -13.359 9.487 7.464 55 HA GLU 10 HA GLU 10 -15.364 10.305 5.404 56 1HB GLU 10 HB2 GLU 10 -14.563 11.888 7.332 57 2HB GLU 10 HB1 GLU 10 -13.114 12.066 6.342 58 1HG GLU 10 HG2 GLU 10 -14.610 12.653 4.398 59 2HG GLU 10 HG1 GLU 10 -15.968 12.675 5.526 60 H ASN 11 H ASN 11 -12.564 8.593 5.615 61 HA ASN 11 HA ASN 11 -10.925 9.735 3.573 62 1HB ASN 11 HB2 ASN 11 -10.378 7.821 5.233 63 2HB ASN 11 HB1 ASN 11 -11.154 6.767 4.052 64 1HD2 ASN 11 1HD2 ASN 11 -8.163 8.056 4.898 65 2HD2 ASN 11 2HD2 ASN 11 -7.378 7.894 3.402 66 HA PRO 12 HA PRO 12 -13.488 8.776 0.085 67 1HB PRO 12 HB2 PRO 12 -11.666 9.517 -1.836 68 2HB PRO 12 HB1 PRO 12 -12.622 10.675 -0.896 69 1HG PRO 12 HG2 PRO 12 -9.734 9.981 -0.640 70 2HG PRO 12 HG1 PRO 12 -10.569 11.482 -0.210 71 1HD PRO 12 HD2 PRO 12 -9.757 9.458 1.593 72 2HD PRO 12 HD1 PRO 12 -10.863 10.798 1.956 73 H CYS 13 H CYS 13 -10.210 7.524 0.470 74 HA CYS 13 HA CYS 13 -10.268 5.638 -1.692 75 1HB CYS 13 HB2 CYS 13 -8.755 5.600 0.937 76 2HB CYS 13 HB1 CYS 13 -8.468 4.474 -0.386 77 H CYS 14 H CYS 14 -11.503 5.550 1.606 78 HA CYS 14 HA CYS 14 -12.489 2.777 1.081 79 1HB CYS 14 HB2 CYS 14 -12.486 2.383 3.434 80 2HB CYS 14 HB1 CYS 14 -10.950 3.170 3.081 81 H ASP 15 H ASP 15 -14.659 2.332 1.399 82 HA ASP 15 HA ASP 15 -16.475 4.584 1.094 83 1HB ASP 15 HB2 ASP 15 -16.596 2.077 0.207 84 2HB ASP 15 HB1 ASP 15 -17.435 1.827 1.733 85 H ALA 16 H ALA 16 -17.534 5.631 2.725 86 HA ALA 16 HA ALA 16 -17.026 4.905 5.492 87 1HB ALA 16 HB1 ALA 16 -18.399 6.823 6.049 88 2HB ALA 16 HB2 ALA 16 -19.079 6.865 4.423 89 3HB ALA 16 HB3 ALA 16 -17.380 7.265 4.678 90 H ALA 17 H ALA 17 -19.630 4.382 3.193 91 HA ALA 17 HA ALA 17 -21.722 3.657 4.955 92 1HB ALA 17 HB1 ALA 17 -21.265 2.066 2.453 93 2HB ALA 17 HB2 ALA 17 -21.603 3.792 2.312 94 3HB ALA 17 HB3 ALA 17 -22.768 2.725 3.097 95 H THR 18 H THR 18 -19.276 1.526 3.438 96 HA THR 18 HA THR 18 -19.920 -0.525 5.502 97 HB THR 18 HB THR 18 -20.007 -1.329 3.191 98 HG1 THR 18 HG1 THR 18 -18.999 -3.086 3.744 99 1HG2 THR 18 1HG2 THR 18 -17.244 -1.221 2.477 100 2HG2 THR 18 2HG2 THR 18 -17.763 0.410 2.904 101 3HG2 THR 18 3HG2 THR 18 -18.616 -0.485 1.646 102 H CYS 19 H CYS 19 -17.751 1.956 4.958 103 HA CYS 19 HA CYS 19 -15.734 2.524 6.014 104 1HB CYS 19 HB2 CYS 19 -16.880 1.667 8.038 105 2HB CYS 19 HB1 CYS 19 -16.321 0.041 7.658 106 H LYS 20 H LYS 20 -15.904 0.529 3.712 107 HA LYS 20 HA LYS 20 -13.146 -0.562 4.091 108 1HB LYS 20 HB2 LYS 20 -15.575 -1.961 2.968 109 2HB LYS 20 HB1 LYS 20 -13.935 -2.516 2.633 110 1HG LYS 20 HG2 LYS 20 -13.883 -2.157 5.366 111 2HG LYS 20 HG1 LYS 20 -15.524 -2.742 5.098 112 1HD LYS 20 HD2 LYS 20 -12.945 -4.081 4.246 113 2HD LYS 20 HD1 LYS 20 -14.117 -4.673 5.423 114 1HE LYS 20 HE2 LYS 20 -15.675 -4.263 3.178 115 2HE LYS 20 HE1 LYS 20 -14.162 -4.858 2.496 116 1HZ LYS 20 HZ1 LYS 20 -14.301 -6.642 4.268 117 2HZ LYS 20 HZ2 LYS 20 -15.399 -6.758 2.977 118 3HZ LYS 20 HZ3 LYS 20 -15.915 -6.166 4.483 119 H LEU 21 H LEU 21 -12.026 -0.961 1.995 120 HA LEU 21 HA LEU 21 -11.868 1.217 0.315 121 1HB LEU 21 HB2 LEU 21 -11.346 -1.701 -0.157 122 2HB LEU 21 HB1 LEU 21 -11.176 -0.558 -1.490 123 HG LEU 21 HG LEU 21 -9.931 0.340 1.021 124 1HD1 LEU 21 1HD1 LEU 21 -9.593 -2.250 0.847 125 2HD1 LEU 21 2HD1 LEU 21 -8.191 -1.225 1.150 126 3HD1 LEU 21 3HD1 LEU 21 -8.498 -1.843 -0.474 127 1HD2 LEU 21 1HD2 LEU 21 -9.017 0.052 -1.858 128 2HD2 LEU 21 2HD2 LEU 21 -8.080 0.840 -0.588 129 3HD2 LEU 21 3HD2 LEU 21 -9.626 1.521 -1.094 130 H ARG 22 H ARG 22 -12.993 2.009 -1.456 131 HA ARG 22 HA ARG 22 -15.555 0.626 -2.060 132 1HB ARG 22 HB2 ARG 22 -16.227 2.733 -1.483 133 2HB ARG 22 HB1 ARG 22 -14.710 3.474 -1.962 134 1HG ARG 22 HG2 ARG 22 -15.358 3.209 -4.349 135 2HG ARG 22 HG1 ARG 22 -16.894 2.512 -3.835 136 1HD ARG 22 HD2 ARG 22 -16.176 5.120 -2.614 137 2HD ARG 22 HD1 ARG 22 -16.578 5.151 -4.332 138 HE ARG 22 HE ARG 22 -18.419 4.063 -2.237 139 1HH1 ARG 22 1HH1 ARG 22 -17.971 6.618 -4.328 140 2HH1 ARG 22 2HH1 ARG 22 -19.509 6.488 -5.114 141 1HH2 ARG 22 1HH2 ARG 22 -20.309 3.455 -3.634 142 2HH2 ARG 22 2HH2 ARG 22 -20.832 4.698 -4.722 143 HA PRO 23 HA PRO 23 -14.005 1.473 -6.460 144 1HB PRO 23 HB2 PRO 23 -11.682 2.896 -6.827 145 2HB PRO 23 HB1 PRO 23 -13.286 3.642 -6.738 146 1HG PRO 23 HG2 PRO 23 -11.119 3.590 -4.685 147 2HG PRO 23 HG1 PRO 23 -12.388 4.798 -4.946 148 1HD PRO 23 HD2 PRO 23 -12.405 2.821 -2.944 149 2HD PRO 23 HD1 PRO 23 -13.806 3.770 -3.479 150 H GLY 24 H GLY 24 -11.777 0.941 -7.829 151 1HA GLY 24 HA2 GLY 24 -10.877 -1.600 -6.775 152 2HA GLY 24 HA1 GLY 24 -10.291 -0.834 -8.252 153 H ALA 25 H ALA 25 -10.186 -0.046 -4.754 154 HA ALA 25 HA ALA 25 -7.338 0.745 -5.132 155 1HB ALA 25 HB1 ALA 25 -8.501 2.518 -4.099 156 2HB ALA 25 HB2 ALA 25 -7.730 1.692 -2.745 157 3HB ALA 25 HB3 ALA 25 -9.441 1.428 -3.083 158 H GLN 26 H GLN 26 -5.815 0.084 -3.382 159 HA GLN 26 HA GLN 26 -6.466 -2.672 -2.450 160 1HB GLN 26 HB2 GLN 26 -4.136 -1.473 -3.625 161 2HB GLN 26 HB1 GLN 26 -3.725 -2.046 -2.007 162 1HG GLN 26 HG2 GLN 26 -3.586 -4.124 -2.867 163 2HG GLN 26 HG1 GLN 26 -5.331 -4.065 -3.104 164 1HE2 GLN 26 1HE2 GLN 26 -2.628 -4.814 -4.787 165 2HE2 GLN 26 2HE2 GLN 26 -3.080 -4.302 -6.342 166 H CYS 27 H CYS 27 -5.761 0.541 -1.361 167 HA CYS 27 HA CYS 27 -6.161 -0.352 1.428 168 1HB CYS 27 HB2 CYS 27 -3.888 -0.353 1.715 169 2HB CYS 27 HB1 CYS 27 -3.605 0.635 0.290 170 H GLY 28 H GLY 28 -7.062 1.310 2.729 171 1HA GLY 28 HA2 GLY 28 -8.190 3.566 1.198 172 2HA GLY 28 HA1 GLY 28 -8.659 3.089 2.829 173 H GLU 29 H GLU 29 -5.805 2.878 3.630 174 HA GLU 29 HA GLU 29 -4.652 5.522 3.306 175 1HB GLU 29 HB2 GLU 29 -4.952 6.265 5.595 176 2HB GLU 29 HB1 GLU 29 -6.531 5.956 4.889 177 1HG GLU 29 HG2 GLU 29 -6.979 4.367 6.416 178 2HG GLU 29 HG1 GLU 29 -5.452 3.547 6.087 179 H GLY 30 H GLY 30 -2.561 5.658 4.341 180 1HA GLY 30 HA2 GLY 30 -1.322 3.982 6.134 181 2HA GLY 30 HA1 GLY 30 -1.245 3.060 4.632 182 H LEU 31 H LEU 31 1.059 4.127 6.011 183 HA LEU 31 HA LEU 31 1.909 6.573 4.794 184 1HB LEU 31 HB2 LEU 31 4.097 6.062 5.597 185 2HB LEU 31 HB1 LEU 31 2.963 5.571 6.830 186 HG LEU 31 HG LEU 31 4.454 3.791 6.771 187 1HD1 LEU 31 1HD1 LEU 31 3.378 1.909 5.493 188 2HD1 LEU 31 2HD1 LEU 31 2.263 3.091 4.839 189 3HD1 LEU 31 3HD1 LEU 31 2.297 2.792 6.570 190 1HD2 LEU 31 1HD2 LEU 31 5.479 2.859 4.805 191 2HD2 LEU 31 2HD2 LEU 31 5.685 4.610 4.759 192 3HD2 LEU 31 3HD2 LEU 31 4.468 3.832 3.749 193 H CYS 32 H CYS 32 1.346 3.576 3.405 194 HA CYS 32 HA CYS 32 2.986 4.377 1.059 195 1HB CYS 32 HB2 CYS 32 3.225 1.944 2.650 196 2HB CYS 32 HB1 CYS 32 2.922 1.602 0.945 197 H CYS 33 H CYS 33 0.436 5.115 1.144 198 HA CYS 33 HA CYS 33 -0.935 3.146 -0.634 199 1HB CYS 33 HB2 CYS 33 -2.146 4.897 1.526 200 2HB CYS 33 HB1 CYS 33 -3.091 4.001 0.340 201 H GLU 34 H GLU 34 -0.270 4.245 -2.519 202 HA GLU 34 HA GLU 34 -0.964 7.117 -2.759 203 1HB GLU 34 HB2 GLU 34 1.265 6.451 -3.549 204 2HB GLU 34 HB1 GLU 34 0.542 5.254 -4.623 205 1HG GLU 34 HG2 GLU 34 -0.344 6.874 -6.055 206 2HG GLU 34 HG1 GLU 34 -0.302 8.132 -4.817 207 H GLN 35 H GLN 35 -2.892 7.631 -3.650 208 HA GLN 35 HA GLN 35 -4.792 7.491 -5.015 209 1HB GLN 35 HB2 GLN 35 -3.070 6.777 -6.763 210 2HB GLN 35 HB1 GLN 35 -3.485 5.112 -6.354 211 1HG GLN 35 HG2 GLN 35 -4.932 5.556 -8.140 212 2HG GLN 35 HG1 GLN 35 -5.948 5.897 -6.740 213 1HE2 GLN 35 1HE2 GLN 35 -7.243 7.506 -7.851 214 2HE2 GLN 35 2HE2 GLN 35 -6.603 9.011 -8.310 215 H CYS 36 H CYS 36 -4.197 5.798 -2.539 216 HA CYS 36 HA CYS 36 -5.568 4.379 -1.244 217 1HB CYS 36 HB2 CYS 36 -7.256 3.834 -3.682 218 2HB CYS 36 HB1 CYS 36 -7.735 3.821 -1.985 219 H LYS 37 H LYS 37 -3.528 3.634 -3.596 220 HA LYS 37 HA LYS 37 -4.059 0.696 -3.427 221 1HB LYS 37 HB2 LYS 37 -2.868 2.412 -5.592 222 2HB LYS 37 HB1 LYS 37 -2.438 0.704 -5.481 223 1HG LYS 37 HG2 LYS 37 -4.537 -0.006 -6.076 224 2HG LYS 37 HG1 LYS 37 -5.334 1.361 -5.292 225 1HD LYS 37 HD2 LYS 37 -5.407 2.508 -7.227 226 2HD LYS 37 HD1 LYS 37 -3.677 2.277 -7.484 227 1HE LYS 37 HE2 LYS 37 -5.716 0.116 -8.055 228 2HE LYS 37 HE1 LYS 37 -5.188 1.275 -9.272 229 1HZ LYS 37 HZ1 LYS 37 -3.344 0.117 -9.587 230 2HZ LYS 37 HZ2 LYS 37 -3.929 -1.074 -8.526 231 3HZ LYS 37 HZ3 LYS 37 -2.951 0.185 -7.938 232 H PHE 38 H PHE 38 -2.255 -0.662 -2.982 233 HA PHE 38 HA PHE 38 -0.401 0.275 -1.070 234 1HB PHE 38 HB2 PHE 38 -0.225 -2.107 -2.935 235 2HB PHE 38 HB1 PHE 38 0.845 -1.848 -1.557 236 HD1 PHE 38 HD1 PHE 38 -0.879 -0.838 0.535 237 HD2 PHE 38 HD2 PHE 38 -1.685 -3.849 -2.418 238 HE1 PHE 38 HE1 PHE 38 -2.571 -1.857 2.035 239 HE2 PHE 38 HE2 PHE 38 -3.378 -4.867 -0.919 240 HZ PHE 38 HZ PHE 38 -3.821 -3.872 1.308 241 H SER 39 H SER 39 1.507 1.372 -1.260 242 HA SER 39 HA SER 39 2.367 2.392 -3.817 243 1HB SER 39 HB2 SER 39 4.005 2.288 -1.270 244 2HB SER 39 HB1 SER 39 4.166 3.427 -2.603 245 HG SER 39 HG SER 39 2.402 4.461 -1.952 246 H ARG 40 H ARG 40 5.316 1.871 -3.012 247 HA ARG 40 HA ARG 40 5.437 -0.930 -4.056 248 1HB ARG 40 HB2 ARG 40 6.484 1.497 -5.198 249 2HB ARG 40 HB1 ARG 40 7.822 0.432 -4.759 250 1HG ARG 40 HG2 ARG 40 6.982 -1.348 -6.097 251 2HG ARG 40 HG1 ARG 40 5.408 -0.571 -6.276 252 1HD ARG 40 HD2 ARG 40 7.054 1.361 -7.281 253 2HD ARG 40 HD1 ARG 40 7.923 -0.099 -7.755 254 HE ARG 40 HE ARG 40 5.445 0.823 -8.907 255 1HH1 ARG 40 1HH2 ARG 40 7.538 -1.024 -10.142 256 2HH1 ARG 40 2HH2 ARG 40 6.635 -2.494 -10.299 257 1HH2 ARG 40 1HH1 ARG 40 4.113 -1.485 -8.144 258 2HH2 ARG 40 2HH1 ARG 40 4.694 -2.753 -9.168 259 H ALA 41 H ALA 41 7.466 -2.066 -3.451 260 HA ALA 41 HA ALA 41 8.060 -1.714 -0.645 261 1HB ALA 41 HB1 ALA 41 8.281 -3.805 -2.379 262 2HB ALA 41 HB2 ALA 41 9.105 -3.742 -0.822 263 3HB ALA 41 HB3 ALA 41 9.962 -3.281 -2.292 264 H GLY 42 H GLY 42 10.416 -1.528 0.103 265 1HA GLY 42 HA2 GLY 42 12.424 -0.303 0.167 266 2HA GLY 42 HA1 GLY 42 12.290 -0.109 -1.584 267 H LYS 43 H LYS 43 9.594 0.778 0.415 268 HA LYS 43 HA LYS 43 10.053 3.623 -0.355 269 1HB LYS 43 HB2 LYS 43 7.872 2.793 -0.951 270 2HB LYS 43 HB1 LYS 43 7.613 2.152 0.672 271 1HG LYS 43 HG2 LYS 43 6.479 4.388 0.135 272 2HG LYS 43 HG1 LYS 43 7.436 4.330 1.614 273 1HD LYS 43 HD2 LYS 43 8.982 5.795 0.805 274 2HD LYS 43 HD1 LYS 43 8.942 5.091 -0.812 275 1HE LYS 43 HE2 LYS 43 6.937 6.276 -1.377 276 2HE LYS 43 HE1 LYS 43 6.684 6.774 0.295 277 1HZ LYS 43 HZ1 LYS 43 9.195 7.527 -1.005 278 2HZ LYS 43 HZ2 LYS 43 8.294 8.353 0.174 279 3HZ LYS 43 HZ3 LYS 43 7.790 8.367 -1.448 280 H ILE 44 H ILE 44 11.374 4.548 1.158 281 HA ILE 44 HA ILE 44 11.662 3.909 3.863 282 HB ILE 44 HB ILE 44 13.181 5.450 2.767 283 1HG1 ILE 44 2HG1 ILE 44 13.038 7.398 4.440 284 2HG1 ILE 44 1HG1 ILE 44 11.594 6.604 5.068 285 1HG2 ILE 44 1HG2 ILE 44 10.811 6.589 1.775 286 2HG2 ILE 44 2HG2 ILE 44 12.455 7.152 1.479 287 3HG2 ILE 44 3HG2 ILE 44 11.518 7.828 2.812 288 1HD1 ILE 44 1HD1 ILE 44 12.813 4.657 5.699 289 2HD1 ILE 44 2HD1 ILE 44 13.803 6.017 6.228 290 3HD1 ILE 44 3HD1 ILE 44 14.221 5.142 4.754 291 H CYS 45 H CYS 45 9.965 3.677 5.246 292 HA CYS 45 HA CYS 45 7.739 5.650 5.185 293 1HB CYS 45 HB2 CYS 45 6.662 4.109 6.799 294 2HB CYS 45 HB1 CYS 45 7.118 3.289 5.310 295 H ARG 46 H ARG 46 10.572 4.797 6.985 296 HA ARG 46 HA ARG 46 10.210 7.139 8.714 297 1HB ARG 46 HB2 ARG 46 9.645 4.417 9.647 298 2HB ARG 46 HB1 ARG 46 10.865 5.236 10.622 299 1HG ARG 46 HG2 ARG 46 9.293 6.525 11.586 300 2HG ARG 46 HG1 ARG 46 8.729 7.072 10.006 301 1HD ARG 46 HD2 ARG 46 7.598 4.694 9.917 302 2HD ARG 46 HD1 ARG 46 7.758 4.772 11.672 303 HE ARG 46 HE ARG 46 6.146 6.657 10.018 304 1HH1 ARG 46 1HH1 ARG 46 7.137 7.989 12.466 305 2HH1 ARG 46 2HH1 ARG 46 5.914 7.609 13.632 306 1HH2 ARG 46 1HH2 ARG 46 4.566 5.017 11.763 307 2HH2 ARG 46 2HH2 ARG 46 4.459 5.925 13.235 308 H ILE 47 H ILE 47 12.180 8.061 8.767 309 HA ILE 47 HA ILE 47 14.557 6.320 8.343 310 HB ILE 47 HB ILE 47 14.074 8.282 6.794 311 1HG1 ILE 47 2HG1 ILE 47 16.321 7.216 7.069 312 2HG1 ILE 47 1HG1 ILE 47 16.419 8.931 6.667 313 1HG2 ILE 47 1HG2 ILE 47 13.393 9.756 8.794 314 2HG2 ILE 47 2HG2 ILE 47 14.404 10.501 7.555 315 3HG2 ILE 47 3HG2 ILE 47 15.122 9.961 9.072 316 1HD1 ILE 47 1HD1 ILE 47 16.363 9.110 9.361 317 2HD1 ILE 47 2HD1 ILE 47 17.863 8.956 8.446 318 3HD1 ILE 47 3HD1 ILE 47 17.132 7.532 9.190 319 HA PRO 48 HA PRO 48 15.184 7.205 12.710 320 1HB PRO 48 HB2 PRO 48 17.020 5.192 13.070 321 2HB PRO 48 HB1 PRO 48 15.268 4.931 13.085 322 1HG PRO 48 HG2 PRO 48 17.248 4.237 10.969 323 2HG PRO 48 HG1 PRO 48 15.677 3.499 11.321 324 1HD PRO 48 HD2 PRO 48 16.225 5.343 9.235 325 2HD PRO 48 HD1 PRO 48 14.616 4.827 9.785 326 H ARG 49 H ARG 49 16.657 8.677 13.507 327 HA ARG 49 HA ARG 49 19.071 9.248 11.897 328 1HB ARG 49 HB2 ARG 49 17.487 11.047 12.812 329 2HB ARG 49 HB1 ARG 49 18.178 10.696 14.397 330 1HG ARG 49 HG2 ARG 49 19.776 12.205 13.845 331 2HG ARG 49 HG1 ARG 49 20.422 10.935 12.804 332 1HD ARG 49 HD2 ARG 49 19.868 12.079 10.945 333 2HD ARG 49 HD1 ARG 49 18.212 12.299 11.513 334 HE ARG 49 HE ARG 49 20.183 14.335 11.513 335 1HH1 ARG 49 1HH2 ARG 49 17.107 14.065 12.388 336 2HH1 ARG 49 2HH2 ARG 49 17.196 14.935 13.885 337 1HH2 ARG 49 1HH1 ARG 49 20.663 14.934 13.980 338 2HH2 ARG 49 2HH1 ARG 49 19.211 15.426 14.786 339 H GLY 50 H GLY 50 21.178 9.006 12.692 340 1HA GLY 50 HA2 GLY 50 22.618 8.726 14.746 341 2HA GLY 50 HA1 GLY 50 21.401 7.584 15.317 342 H ASP 51 H ASP 51 21.755 5.463 14.843 343 HA ASP 51 HA ASP 51 23.373 4.784 12.442 344 1HB ASP 51 HB2 ASP 51 23.899 3.623 15.195 345 2HB ASP 51 HB1 ASP 51 24.779 3.255 13.711 346 H MET 52 H MET 52 20.641 4.527 12.559 347 HA MET 52 HA MET 52 20.222 1.613 13.094 348 1HB MET 52 HB2 MET 52 18.595 3.995 13.604 349 2HB MET 52 HB1 MET 52 17.709 2.739 12.739 350 1HG MET 52 HG2 MET 52 17.372 1.914 14.843 351 2HG MET 52 HG1 MET 52 18.975 1.223 14.597 352 1HE MET 52 HE1 MET 52 20.247 1.367 17.170 353 2HE MET 52 HE2 MET 52 18.536 0.977 17.000 354 3HE MET 52 HE3 MET 52 19.053 2.120 18.235 355 HA PRO 53 HA PRO 53 19.352 0.989 8.834 356 1HB PRO 53 HB2 PRO 53 17.318 -0.856 8.971 357 2HB PRO 53 HB1 PRO 53 19.010 -1.237 9.329 358 1HG PRO 53 HG2 PRO 53 16.727 -0.882 11.215 359 2HG PRO 53 HG1 PRO 53 18.206 -1.838 11.410 360 1HD PRO 53 HD2 PRO 53 17.707 0.698 12.561 361 2HD PRO 53 HD1 PRO 53 19.285 -0.114 12.468 362 H ASP 54 H ASP 54 17.756 1.398 7.127 363 HA ASP 54 HA ASP 54 15.702 3.351 7.979 364 1HB ASP 54 HB2 ASP 54 16.355 2.560 5.138 365 2HB ASP 54 HB1 ASP 54 15.653 4.071 5.717 366 H ASP 55 H ASP 55 13.557 2.871 8.009 367 HA ASP 55 HA ASP 55 12.711 0.140 7.333 368 1HB ASP 55 HB2 ASP 55 11.935 1.728 9.315 369 2HB ASP 55 HB1 ASP 55 10.783 2.298 8.110 370 H ARG 56 H ARG 56 11.641 -0.421 5.463 371 HA ARG 56 HA ARG 56 10.569 1.775 3.748 372 1HB ARG 56 HB2 ARG 56 12.182 -0.565 2.718 373 2HB ARG 56 HB1 ARG 56 11.568 0.796 1.783 374 1HG ARG 56 HG2 ARG 56 12.946 2.215 3.540 375 2HG ARG 56 HG1 ARG 56 13.847 0.709 3.723 376 1HD ARG 56 HD2 ARG 56 14.114 0.657 1.215 377 2HD ARG 56 HD1 ARG 56 13.406 2.273 1.166 378 HE ARG 56 HE ARG 56 15.387 2.816 2.818 379 1HH1 ARG 56 1HH2 ARG 56 16.520 0.026 2.256 380 2HH1 ARG 56 2HH2 ARG 56 17.712 0.394 1.053 381 1HH2 ARG 56 1HH1 ARG 56 16.435 3.544 0.375 382 2HH2 ARG 56 2HH1 ARG 56 17.663 2.385 -0.012 383 H CYS 57 H CYS 57 8.716 1.241 2.591 384 HA CYS 57 HA CYS 57 7.055 -0.849 3.582 385 1HB CYS 57 HB2 CYS 57 6.880 0.437 0.844 386 2HB CYS 57 HB1 CYS 57 5.575 -0.344 1.729 387 H THR 58 H THR 58 6.316 -2.763 2.401 388 HA THR 58 HA THR 58 8.550 -4.071 0.964 389 HB THR 58 HB THR 58 7.315 -6.151 1.362 390 HG1 THR 58 HG1 THR 58 5.329 -4.315 1.986 391 1HG2 THR 58 1HG2 THR 58 6.978 -5.636 4.007 392 2HG2 THR 58 2HG2 THR 58 7.978 -4.261 3.539 393 3HG2 THR 58 3HG2 THR 58 8.553 -5.903 3.259 394 H GLY 59 H GLY 59 5.935 -2.237 0.143 395 1HA GLY 59 HA2 GLY 59 5.178 -1.834 -2.083 396 2HA GLY 59 HA1 GLY 59 5.915 -3.354 -2.584 397 H GLN 60 H GLN 60 4.565 -4.717 -0.217 398 HA GLN 60 HA GLN 60 1.886 -4.955 -1.514 399 1HB GLN 60 HB2 GLN 60 3.230 -6.967 0.306 400 2HB GLN 60 HB1 GLN 60 1.807 -7.220 -0.702 401 1HG GLN 60 HG2 GLN 60 3.131 -6.938 -2.725 402 2HG GLN 60 HG1 GLN 60 4.559 -6.534 -1.771 403 1HE2 GLN 60 1HE2 GLN 60 5.464 -8.306 -0.377 404 2HE2 GLN 60 2HE2 GLN 60 5.195 -9.924 -0.810 405 H SER 61 H SER 61 3.474 -3.891 1.327 406 HA SER 61 HA SER 61 0.960 -4.183 2.915 407 1HB SER 61 HB2 SER 61 3.771 -3.460 3.790 408 2HB SER 61 HB1 SER 61 2.380 -3.582 4.864 409 HG SER 61 HG SER 61 3.253 -5.674 3.159 410 H ALA 62 H ALA 62 -0.263 -2.399 3.372 411 HA ALA 62 HA ALA 62 0.474 0.172 2.187 412 1HB ALA 62 HB1 ALA 62 -1.817 0.005 2.099 413 2HB ALA 62 HB2 ALA 62 -1.693 0.778 3.678 414 3HB ALA 62 HB3 ALA 62 -1.907 -0.969 3.566 415 H ASP 63 H ASP 63 0.070 -1.105 5.496 416 HA ASP 63 HA ASP 63 0.949 1.421 6.683 417 1HB ASP 63 HB2 ASP 63 1.000 -1.147 8.220 418 2HB ASP 63 HB1 ASP 63 0.457 0.451 8.729 419 H CYS 64 H CYS 64 2.986 1.643 7.865 420 HA CYS 64 HA CYS 64 5.143 0.193 6.498 421 1HB CYS 64 HB2 CYS 64 5.718 2.419 6.634 422 2HB CYS 64 HB1 CYS 64 4.969 2.646 8.203 423 HA PRO 65 HA PRO 65 5.331 -2.674 9.854 424 1HB PRO 65 HB2 PRO 65 7.281 -4.194 8.681 425 2HB PRO 65 HB1 PRO 65 5.573 -4.322 8.263 426 1HG PRO 65 HG2 PRO 65 7.816 -3.107 6.733 427 2HG PRO 65 HG1 PRO 65 6.278 -3.757 6.141 428 1HD PRO 65 HD2 PRO 65 6.911 -1.022 6.478 429 2HD PRO 65 HD1 PRO 65 5.295 -1.698 6.185 430 H ARG 66 H ARG 66 7.734 -3.918 10.542 431 HA ARG 66 HA ARG 66 9.653 -1.697 11.062 432 1HB ARG 66 HB2 ARG 66 8.563 -3.611 13.152 433 2HB ARG 66 HB1 ARG 66 9.861 -2.448 13.419 434 1HG ARG 66 HG2 ARG 66 7.442 -1.273 12.226 435 2HG ARG 66 HG1 ARG 66 7.192 -1.935 13.843 436 1HD ARG 66 HD2 ARG 66 8.903 -0.559 14.777 437 2HD ARG 66 HD1 ARG 66 9.515 -0.114 13.183 438 HE ARG 66 HE ARG 66 7.975 1.655 13.280 439 1HH1 ARG 66 1HH2 ARG 66 5.728 -0.373 12.855 440 2HH1 ARG 66 2HH2 ARG 66 4.677 0.017 14.174 441 1HH2 ARG 66 1HH1 ARG 66 7.069 1.853 15.884 442 2HH2 ARG 66 2HH1 ARG 66 5.435 1.277 15.890 443 H TYR 67 H TYR 67 11.607 -2.917 12.393 444 HA TYR 67 HA TYR 67 12.222 -5.367 10.787 445 1HB TYR 67 HB2 TYR 67 13.526 -3.032 10.495 446 2HB TYR 67 HB1 TYR 67 14.446 -3.691 11.848 447 HD1 TYR 67 HD2 TYR 67 13.184 -4.525 8.430 448 HD2 TYR 67 HD1 TYR 67 16.071 -5.363 11.499 449 HE1 TYR 67 HE2 TYR 67 14.408 -6.017 6.872 450 HE2 TYR 67 HE1 TYR 67 17.296 -6.854 9.941 451 HH TYR 67 HH TYR 67 16.203 -8.229 7.476 452 H HIS 68 H HIS 68 11.003 -6.018 13.022 453 HA HIS 68 HA HIS 68 13.195 -6.656 14.957 454 1HB HIS 68 HB2 HIS 68 11.445 -5.018 15.801 455 2HB HIS 68 HB1 HIS 68 10.270 -6.328 15.669 456 HD1 HIS 68 HD1 HIS 68 13.737 -7.224 16.669 457 HD2 HIS 68 HD2 HIS 68 10.115 -6.403 18.565 458 HE1 HIS 68 HE1 HIS 68 13.998 -7.985 19.070 Start of MODEL 2 1 1H GLY 1 HT1 GLY 1 -12.280 -12.401 9.790 2 2H GLY 1 HT2 GLY 1 -10.621 -12.034 9.811 3 3H GLY 1 HT3 GLY 1 -11.211 -13.259 8.792 4 1HA GLY 1 HA1 GLY 1 -10.761 -11.316 7.481 5 2HA GLY 1 HA2 GLY 1 -12.501 -11.596 7.554 6 H LYS 2 H LYS 2 -10.327 -9.175 7.693 7 HA LYS 2 HA LYS 2 -11.517 -7.689 9.945 8 1HB LYS 2 HB2 LYS 2 -9.084 -7.544 8.392 9 2HB LYS 2 HB1 LYS 2 -9.890 -5.974 8.397 10 1HG LYS 2 HG2 LYS 2 -9.331 -5.618 10.548 11 2HG LYS 2 HG1 LYS 2 -9.997 -7.179 11.030 12 1HD LYS 2 HD2 LYS 2 -7.601 -7.102 11.544 13 2HD LYS 2 HD1 LYS 2 -7.906 -8.285 10.271 14 1HE LYS 2 HE2 LYS 2 -7.365 -6.468 8.589 15 2HE LYS 2 HE1 LYS 2 -6.827 -5.475 9.945 16 1HZ LYS 2 HZ1 LYS 2 -5.700 -8.057 10.127 17 2HZ LYS 2 HZ2 LYS 2 -4.913 -6.557 9.992 18 3HZ LYS 2 HZ3 LYS 2 -5.376 -7.406 8.595 19 H GLU 3 H GLU 3 -13.258 -6.378 9.687 20 HA GLU 3 HA GLU 3 -14.286 -5.888 6.967 21 1HB GLU 3 HB2 GLU 3 -15.390 -5.161 9.701 22 2HB GLU 3 HB1 GLU 3 -16.231 -4.897 8.172 23 1HG GLU 3 HG2 GLU 3 -16.571 -7.170 7.807 24 2HG GLU 3 HG1 GLU 3 -15.196 -7.640 8.808 25 H CYS 4 H CYS 4 -11.950 -4.442 8.689 26 HA CYS 4 HA CYS 4 -12.781 -1.699 7.839 27 1HB CYS 4 HB2 CYS 4 -11.510 -2.715 10.269 28 2HB CYS 4 HB1 CYS 4 -10.583 -1.409 9.530 29 H ASP 5 H ASP 5 -11.889 -1.483 5.810 30 HA ASP 5 HA ASP 5 -9.183 -2.548 5.291 31 1HB ASP 5 HB2 ASP 5 -11.389 -2.360 3.701 32 2HB ASP 5 HB1 ASP 5 -10.518 -0.901 3.225 33 H CYS 6 H CYS 6 -10.483 0.273 6.546 34 HA CYS 6 HA CYS 6 -7.943 1.703 6.010 35 1HB CYS 6 HB2 CYS 6 -8.993 3.704 5.237 36 2HB CYS 6 HB1 CYS 6 -9.705 2.397 4.295 37 H SER 7 H SER 7 -7.304 2.958 7.757 38 HA SER 7 HA SER 7 -8.951 2.705 10.198 39 1HB SER 7 HB2 SER 7 -6.468 2.259 10.208 40 2HB SER 7 HB1 SER 7 -6.214 3.969 9.873 41 HG SER 7 HG SER 7 -7.587 4.296 11.809 42 H SER 8 H SER 8 -8.760 4.855 7.675 43 HA SER 8 HA SER 8 -9.303 7.213 9.413 44 1HB SER 8 HB2 SER 8 -8.821 7.202 6.427 45 2HB SER 8 HB1 SER 8 -8.783 8.589 7.513 46 HG SER 8 HG SER 8 -6.733 8.129 7.632 47 HA PRO 9 HA PRO 9 -13.550 6.575 8.196 48 1HB PRO 9 HB2 PRO 9 -14.558 8.646 9.694 49 2HB PRO 9 HB1 PRO 9 -14.126 7.066 10.373 50 1HG PRO 9 HG2 PRO 9 -12.680 9.664 10.599 51 2HG PRO 9 HG1 PRO 9 -12.667 8.274 11.696 52 1HD PRO 9 HD2 PRO 9 -10.646 8.936 9.821 53 2HD PRO 9 HD1 PRO 9 -10.799 7.398 10.698 54 H GLU 10 H GLU 10 -12.092 9.838 8.277 55 HA GLU 10 HA GLU 10 -13.987 10.992 6.427 56 1HB GLU 10 HB2 GLU 10 -12.094 12.027 8.087 57 2HB GLU 10 HB1 GLU 10 -11.260 12.145 6.537 58 1HG GLU 10 HG2 GLU 10 -13.925 12.976 6.067 59 2HG GLU 10 HG1 GLU 10 -13.410 13.776 7.553 60 H ASN 11 H ASN 11 -11.437 8.796 6.018 61 HA ASN 11 HA ASN 11 -10.406 9.593 3.476 62 1HB ASN 11 HB2 ASN 11 -9.213 7.912 4.685 63 2HB ASN 11 HB1 ASN 11 -10.652 6.899 4.829 64 1HD2 ASN 11 1HD2 ASN 11 -9.582 5.105 3.706 65 2HD2 ASN 11 2HD2 ASN 11 -9.311 5.162 2.032 66 HA PRO 12 HA PRO 12 -14.202 8.704 1.259 67 1HB PRO 12 HB2 PRO 12 -13.341 9.794 -1.113 68 2HB PRO 12 HB1 PRO 12 -13.972 10.756 0.236 69 1HG PRO 12 HG2 PRO 12 -11.154 10.433 -0.684 70 2HG PRO 12 HG1 PRO 12 -11.904 11.785 0.182 71 1HD PRO 12 HD2 PRO 12 -10.266 9.784 1.334 72 2HD PRO 12 HD1 PRO 12 -11.284 10.938 2.221 73 H CYS 13 H CYS 13 -11.005 7.555 0.666 74 HA CYS 13 HA CYS 13 -11.696 5.948 -1.675 75 1HB CYS 13 HB2 CYS 13 -9.291 6.626 -0.176 76 2HB CYS 13 HB1 CYS 13 -9.347 4.912 -0.583 77 H CYS 14 H CYS 14 -12.664 5.672 1.431 78 HA CYS 14 HA CYS 14 -12.989 2.748 1.135 79 1HB CYS 14 HB2 CYS 14 -12.105 2.187 3.265 80 2HB CYS 14 HB1 CYS 14 -10.907 3.253 2.536 81 H ASP 15 H ASP 15 -15.043 2.195 1.618 82 HA ASP 15 HA ASP 15 -17.065 4.026 2.254 83 1HB ASP 15 HB2 ASP 15 -17.233 1.551 1.475 84 2HB ASP 15 HB1 ASP 15 -17.206 1.166 3.196 85 H ALA 16 H ALA 16 -17.546 5.109 4.091 86 HA ALA 16 HA ALA 16 -16.034 4.721 6.518 87 1HB ALA 16 HB1 ALA 16 -17.598 6.404 7.470 88 2HB ALA 16 HB2 ALA 16 -18.584 6.285 6.012 89 3HB ALA 16 HB3 ALA 16 -16.941 6.920 5.916 90 H ALA 17 H ALA 17 -19.341 3.872 5.518 91 HA ALA 17 HA ALA 17 -20.170 2.818 8.052 92 1HB ALA 17 HB1 ALA 17 -22.041 2.961 6.762 93 2HB ALA 17 HB2 ALA 17 -21.591 1.339 6.234 94 3HB ALA 17 HB3 ALA 17 -21.138 2.741 5.263 95 H THR 18 H THR 18 -19.214 1.002 5.105 96 HA THR 18 HA THR 18 -18.815 -1.436 6.634 97 HB THR 18 HB THR 18 -18.342 -2.456 4.588 98 HG1 THR 18 HG1 THR 18 -17.656 -0.858 2.815 99 1HG2 THR 18 1HG2 THR 18 -20.532 -1.032 4.648 100 2HG2 THR 18 2HG2 THR 18 -19.999 -1.709 3.110 101 3HG2 THR 18 3HG2 THR 18 -19.696 -0.011 3.479 102 H CYS 19 H CYS 19 -16.964 1.366 6.199 103 HA CYS 19 HA CYS 19 -14.727 1.874 6.715 104 1HB CYS 19 HB2 CYS 19 -15.415 0.857 8.872 105 2HB CYS 19 HB1 CYS 19 -14.956 -0.730 8.259 106 H LYS 20 H LYS 20 -15.305 0.282 4.300 107 HA LYS 20 HA LYS 20 -12.626 -1.012 4.053 108 1HB LYS 20 HB2 LYS 20 -15.317 -2.156 3.510 109 2HB LYS 20 HB1 LYS 20 -14.047 -2.530 2.344 110 1HG LYS 20 HG2 LYS 20 -12.811 -2.856 4.828 111 2HG LYS 20 HG1 LYS 20 -14.421 -3.541 5.055 112 1HD LYS 20 HD2 LYS 20 -12.713 -4.217 2.653 113 2HD LYS 20 HD1 LYS 20 -12.620 -5.133 4.158 114 1HE LYS 20 HE2 LYS 20 -15.378 -4.702 3.291 115 2HE LYS 20 HE1 LYS 20 -14.427 -5.584 2.095 116 1HZ LYS 20 HZ1 LYS 20 -13.948 -7.265 3.596 117 2HZ LYS 20 HZ2 LYS 20 -15.571 -6.901 3.945 118 3HZ LYS 20 HZ3 LYS 20 -14.332 -6.319 4.951 119 H LEU 21 H LEU 21 -11.794 -1.022 1.846 120 HA LEU 21 HA LEU 21 -11.936 1.382 0.470 121 1HB LEU 21 HB2 LEU 21 -11.251 -1.409 -0.386 122 2HB LEU 21 HB1 LEU 21 -11.340 -0.134 -1.604 123 HG LEU 21 HG LEU 21 -9.899 0.764 0.755 124 1HD1 LEU 21 1HD1 LEU 21 -9.467 -1.825 0.605 125 2HD1 LEU 21 2HD1 LEU 21 -8.101 -0.728 0.817 126 3HD1 LEU 21 3HD1 LEU 21 -8.463 -1.386 -0.778 127 1HD2 LEU 21 1HD2 LEU 21 -9.768 0.840 -2.171 128 2HD2 LEU 21 2HD2 LEU 21 -8.178 0.714 -1.420 129 3HD2 LEU 21 3HD2 LEU 21 -9.250 2.047 -0.996 130 H ARG 22 H ARG 22 -13.571 2.383 -0.580 131 HA ARG 22 HA ARG 22 -15.988 0.873 -1.295 132 1HB ARG 22 HB2 ARG 22 -15.536 3.459 -0.428 133 2HB ARG 22 HB1 ARG 22 -15.859 3.678 -2.149 134 1HG ARG 22 HG2 ARG 22 -17.783 1.845 -1.443 135 2HG ARG 22 HG1 ARG 22 -17.682 2.847 0.006 136 1HD ARG 22 HD2 ARG 22 -18.086 4.857 -1.275 137 2HD ARG 22 HD1 ARG 22 -17.973 3.969 -2.794 138 HE ARG 22 HE ARG 22 -20.192 3.217 -2.462 139 1HH1 ARG 22 1HH1 ARG 22 -19.828 5.760 -0.485 140 2HH1 ARG 22 2HH1 ARG 22 -20.871 5.217 0.788 141 1HH2 ARG 22 1HH2 ARG 22 -21.121 1.982 -0.439 142 2HH2 ARG 22 2HH2 ARG 22 -21.604 3.078 0.812 143 HA PRO 23 HA PRO 23 -14.651 2.338 -5.635 144 1HB PRO 23 HB2 PRO 23 -12.234 3.623 -5.868 145 2HB PRO 23 HB1 PRO 23 -13.762 4.462 -5.552 146 1HG PRO 23 HG2 PRO 23 -11.505 3.918 -3.690 147 2HG PRO 23 HG1 PRO 23 -12.739 5.186 -3.616 148 1HD PRO 23 HD2 PRO 23 -12.687 2.776 -2.101 149 2HD PRO 23 HD1 PRO 23 -14.028 3.937 -2.194 150 H GLY 24 H GLY 24 -12.353 2.014 -7.108 151 1HA GLY 24 HA2 GLY 24 -11.589 -0.758 -6.439 152 2HA GLY 24 HA1 GLY 24 -11.252 0.069 -7.959 153 H ALA 25 H ALA 25 -10.423 0.421 -4.490 154 HA ALA 25 HA ALA 25 -7.631 1.057 -5.363 155 1HB ALA 25 HB1 ALA 25 -9.413 2.277 -3.307 156 2HB ALA 25 HB2 ALA 25 -8.184 3.034 -4.319 157 3HB ALA 25 HB3 ALA 25 -7.707 2.118 -2.890 158 H GLN 26 H GLN 26 -5.973 -0.111 -4.350 159 HA GLN 26 HA GLN 26 -6.729 -2.567 -3.010 160 1HB GLN 26 HB2 GLN 26 -4.408 -1.541 -4.264 161 2HB GLN 26 HB1 GLN 26 -3.952 -1.882 -2.595 162 1HG GLN 26 HG2 GLN 26 -3.830 -4.066 -3.126 163 2HG GLN 26 HG1 GLN 26 -5.568 -4.049 -3.423 164 1HE2 GLN 26 1HE2 GLN 26 -3.788 -5.688 -4.979 165 2HE2 GLN 26 2HE2 GLN 26 -3.780 -5.098 -6.571 166 H CYS 27 H CYS 27 -5.706 0.621 -1.983 167 HA CYS 27 HA CYS 27 -6.253 -0.188 0.827 168 1HB CYS 27 HB2 CYS 27 -4.297 1.222 1.549 169 2HB CYS 27 HB1 CYS 27 -3.836 -0.237 0.670 170 H GLY 28 H GLY 28 -6.902 1.642 2.168 171 1HA GLY 28 HA2 GLY 28 -8.024 3.853 0.517 172 2HA GLY 28 HA1 GLY 28 -8.642 3.360 2.092 173 H GLU 29 H GLU 29 -5.728 3.159 3.020 174 HA GLU 29 HA GLU 29 -4.689 5.863 2.871 175 1HB GLU 29 HB2 GLU 29 -5.139 6.544 5.152 176 2HB GLU 29 HB1 GLU 29 -6.672 6.151 4.381 177 1HG GLU 29 HG2 GLU 29 -7.031 4.809 6.168 178 2HG GLU 29 HG1 GLU 29 -5.881 3.712 5.401 179 H GLY 30 H GLY 30 -2.756 6.103 4.301 180 1HA GLY 30 HA2 GLY 30 -1.546 4.341 5.987 181 2HA GLY 30 HA1 GLY 30 -1.300 3.555 4.429 182 H LEU 31 H LEU 31 1.047 4.071 5.234 183 HA LEU 31 HA LEU 31 1.789 6.864 4.533 184 1HB LEU 31 HB2 LEU 31 4.138 5.799 5.316 185 2HB LEU 31 HB1 LEU 31 2.998 6.536 6.439 186 HG LEU 31 HG LEU 31 1.976 4.282 6.791 187 1HD1 LEU 31 1HD1 LEU 31 4.051 2.595 5.962 188 2HD1 LEU 31 2HD1 LEU 31 3.789 3.671 4.605 189 3HD1 LEU 31 3HD1 LEU 31 2.459 2.713 5.239 190 1HD2 LEU 31 1HD2 LEU 31 3.855 5.313 8.193 191 2HD2 LEU 31 2HD2 LEU 31 4.945 4.236 7.329 192 3HD2 LEU 31 3HD2 LEU 31 3.651 3.570 8.323 193 H CYS 32 H CYS 32 1.991 3.581 3.460 194 HA CYS 32 HA CYS 32 3.712 4.470 1.184 195 1HB CYS 32 HB2 CYS 32 3.365 1.725 2.413 196 2HB CYS 32 HB1 CYS 32 4.274 2.040 0.933 197 H CYS 33 H CYS 33 1.154 5.159 0.882 198 HA CYS 33 HA CYS 33 0.209 3.266 -1.196 199 1HB CYS 33 HB2 CYS 33 -1.115 3.776 1.359 200 2HB CYS 33 HB1 CYS 33 -2.156 4.154 -0.013 201 H GLU 34 H GLU 34 -0.028 4.470 -3.009 202 HA GLU 34 HA GLU 34 -0.720 7.357 -2.693 203 1HB GLU 34 HB2 GLU 34 0.914 5.875 -4.756 204 2HB GLU 34 HB1 GLU 34 0.272 7.488 -5.070 205 1HG GLU 34 HG2 GLU 34 1.563 8.471 -3.377 206 2HG GLU 34 HG1 GLU 34 1.814 6.936 -2.547 207 H GLN 35 H GLN 35 -2.538 8.105 -3.742 208 HA GLN 35 HA GLN 35 -4.556 8.004 -4.929 209 1HB GLN 35 HB2 GLN 35 -3.083 7.640 -6.871 210 2HB GLN 35 HB1 GLN 35 -3.038 5.912 -6.519 211 1HG GLN 35 HG2 GLN 35 -5.079 5.557 -7.437 212 2HG GLN 35 HG1 GLN 35 -5.762 6.998 -6.682 213 1HE2 GLN 35 1HE2 GLN 35 -6.750 7.868 -8.600 214 2HE2 GLN 35 2HE2 GLN 35 -5.844 8.403 -9.932 215 H CYS 36 H CYS 36 -3.872 6.116 -2.645 216 HA CYS 36 HA CYS 36 -5.102 4.496 -1.464 217 1HB CYS 36 HB2 CYS 36 -6.970 4.359 -3.836 218 2HB CYS 36 HB1 CYS 36 -7.324 3.987 -2.149 219 H LYS 37 H LYS 37 -2.962 3.913 -3.449 220 HA LYS 37 HA LYS 37 -3.702 1.063 -3.966 221 1HB LYS 37 HB2 LYS 37 -2.058 2.894 -5.740 222 2HB LYS 37 HB1 LYS 37 -2.290 1.166 -6.012 223 1HG LYS 37 HG2 LYS 37 -4.739 2.823 -5.621 224 2HG LYS 37 HG1 LYS 37 -3.878 3.001 -7.151 225 1HD LYS 37 HD2 LYS 37 -4.570 0.280 -6.040 226 2HD LYS 37 HD1 LYS 37 -5.705 1.186 -7.043 227 1HE LYS 37 HE2 LYS 37 -4.281 1.134 -8.918 228 2HE LYS 37 HE1 LYS 37 -2.863 0.749 -7.944 229 1HZ LYS 37 HZ1 LYS 37 -4.642 -1.280 -7.452 230 2HZ LYS 37 HZ2 LYS 37 -3.258 -1.363 -8.435 231 3HZ LYS 37 HZ3 LYS 37 -4.773 -1.007 -9.120 232 H PHE 38 H PHE 38 -2.183 -0.416 -3.294 233 HA PHE 38 HA PHE 38 -0.230 0.215 -1.391 234 1HB PHE 38 HB2 PHE 38 -0.339 -2.086 -3.358 235 2HB PHE 38 HB1 PHE 38 0.817 -2.000 -2.030 236 HD1 PHE 38 HD2 PHE 38 -0.782 -0.790 0.123 237 HD2 PHE 38 HD1 PHE 38 -1.853 -3.792 -2.755 238 HE1 PHE 38 HE2 PHE 38 -2.494 -1.674 1.684 239 HE2 PHE 38 HE1 PHE 38 -3.566 -4.677 -1.195 240 HZ PHE 38 HZ PHE 38 -3.886 -3.618 1.025 241 H SER 39 H SER 39 1.626 1.369 -1.576 242 HA SER 39 HA SER 39 2.685 2.222 -4.105 243 1HB SER 39 HB2 SER 39 4.157 2.124 -1.456 244 2HB SER 39 HB1 SER 39 4.506 3.176 -2.827 245 HG SER 39 HG SER 39 2.428 4.106 -2.510 246 H ARG 40 H ARG 40 5.544 1.671 -3.346 247 HA ARG 40 HA ARG 40 5.599 -1.201 -4.188 248 1HB ARG 40 HB2 ARG 40 7.502 1.062 -4.878 249 2HB ARG 40 HB1 ARG 40 7.787 -0.631 -5.283 250 1HG ARG 40 HG2 ARG 40 5.949 -0.709 -6.767 251 2HG ARG 40 HG1 ARG 40 5.242 0.765 -6.103 252 1HD ARG 40 HD2 ARG 40 6.317 1.951 -7.684 253 2HD ARG 40 HD1 ARG 40 7.852 1.446 -6.975 254 HE ARG 40 HE ARG 40 7.076 0.641 -9.497 255 1HH1 ARG 40 1HH1 ARG 40 9.385 -0.446 -7.696 256 2HH1 ARG 40 2HH1 ARG 40 9.106 -2.149 -7.855 257 1HH2 ARG 40 1HH2 ARG 40 5.927 -1.770 -9.189 258 2HH2 ARG 40 2HH2 ARG 40 7.147 -2.898 -8.700 259 H ALA 41 H ALA 41 7.354 -2.481 -3.290 260 HA ALA 41 HA ALA 41 7.892 -1.986 -0.528 261 1HB ALA 41 HB1 ALA 41 9.050 -3.998 -0.563 262 2HB ALA 41 HB2 ALA 41 9.749 -3.686 -2.152 263 3HB ALA 41 HB3 ALA 41 8.063 -4.186 -2.012 264 H GLY 42 H GLY 42 10.233 -1.853 0.329 265 1HA GLY 42 HA2 GLY 42 12.260 -0.654 0.446 266 2HA GLY 42 HA1 GLY 42 12.196 -0.498 -1.312 267 H LYS 43 H LYS 43 9.380 0.446 0.424 268 HA LYS 43 HA LYS 43 9.795 3.243 -0.413 269 1HB LYS 43 HB2 LYS 43 7.601 2.410 -0.831 270 2HB LYS 43 HB1 LYS 43 7.468 1.735 0.793 271 1HG LYS 43 HG2 LYS 43 6.196 3.886 0.479 272 2HG LYS 43 HG1 LYS 43 7.393 3.945 1.774 273 1HD LYS 43 HD2 LYS 43 9.014 4.957 0.141 274 2HD LYS 43 HD1 LYS 43 7.703 5.039 -1.035 275 1HE LYS 43 HE2 LYS 43 6.660 6.159 1.329 276 2HE LYS 43 HE1 LYS 43 8.285 6.826 1.169 277 1HZ LYS 43 HZ1 LYS 43 7.476 7.052 -1.324 278 2HZ LYS 43 HZ2 LYS 43 7.185 8.259 -0.165 279 3HZ LYS 43 HZ3 LYS 43 5.963 7.150 -0.564 280 H ILE 44 H ILE 44 11.135 4.349 0.952 281 HA ILE 44 HA ILE 44 11.606 3.879 3.675 282 HB ILE 44 HB ILE 44 13.015 5.418 2.477 283 1HG1 ILE 44 2HG1 ILE 44 12.943 7.403 3.973 284 2HG1 ILE 44 1HG1 ILE 44 11.350 6.898 4.538 285 1HG2 ILE 44 1HG2 ILE 44 12.212 6.976 1.051 286 2HG2 ILE 44 2HG2 ILE 44 11.167 7.667 2.291 287 3HG2 ILE 44 3HG2 ILE 44 10.615 6.287 1.343 288 1HD1 ILE 44 1HD1 ILE 44 13.417 4.793 4.655 289 2HD1 ILE 44 2HD1 ILE 44 12.200 5.245 5.851 290 3HD1 ILE 44 3HD1 ILE 44 13.701 6.164 5.730 291 H CYS 45 H CYS 45 9.850 3.543 5.013 292 HA CYS 45 HA CYS 45 7.631 5.526 4.990 293 1HB CYS 45 HB2 CYS 45 6.651 3.947 6.705 294 2HB CYS 45 HB1 CYS 45 6.839 3.287 5.083 295 H ARG 46 H ARG 46 10.400 4.561 6.891 296 HA ARG 46 HA ARG 46 9.872 6.854 8.692 297 1HB ARG 46 HB2 ARG 46 9.778 4.004 9.465 298 2HB ARG 46 HB1 ARG 46 10.781 5.019 10.504 299 1HG ARG 46 HG2 ARG 46 8.816 6.645 10.589 300 2HG ARG 46 HG1 ARG 46 7.850 5.370 9.844 301 1HD ARG 46 HD2 ARG 46 8.649 3.850 11.735 302 2HD ARG 46 HD1 ARG 46 9.252 5.308 12.523 303 HE ARG 46 HE ARG 46 6.843 6.138 12.411 304 1HH1 ARG 46 1HH2 ARG 46 7.596 3.520 14.084 305 2HH1 ARG 46 2HH2 ARG 46 6.111 2.652 13.885 306 1HH2 ARG 46 1HH1 ARG 46 4.938 4.712 11.355 307 2HH2 ARG 46 2HH1 ARG 46 4.606 3.328 12.341 308 H ILE 47 H ILE 47 11.761 7.860 9.329 309 HA ILE 47 HA ILE 47 14.327 6.470 8.681 310 HB ILE 47 HB ILE 47 13.741 8.208 6.966 311 1HG1 ILE 47 2HG1 ILE 47 15.921 9.444 7.164 312 2HG1 ILE 47 1HG1 ILE 47 16.116 8.755 8.776 313 1HG2 ILE 47 1HG2 ILE 47 12.927 10.202 7.615 314 2HG2 ILE 47 2HG2 ILE 47 14.380 10.512 8.566 315 3HG2 ILE 47 3HG2 ILE 47 13.015 9.664 9.293 316 1HD1 ILE 47 1HD1 ILE 47 16.124 6.503 7.874 317 2HD1 ILE 47 2HD1 ILE 47 17.307 7.460 6.985 318 3HD1 ILE 47 3HD1 ILE 47 15.739 7.105 6.262 319 HA PRO 48 HA PRO 48 14.206 8.105 13.016 320 1HB PRO 48 HB2 PRO 48 14.695 5.679 14.216 321 2HB PRO 48 HB1 PRO 48 13.069 6.292 13.867 322 1HG PRO 48 HG2 PRO 48 14.612 4.160 12.464 323 2HG PRO 48 HG1 PRO 48 12.859 4.371 12.600 324 1HD PRO 48 HD2 PRO 48 14.431 5.026 10.343 325 2HD PRO 48 HD1 PRO 48 12.757 5.548 10.632 326 H ARG 49 H ARG 49 16.148 9.048 13.487 327 HA ARG 49 HA ARG 49 18.656 7.831 12.581 328 1HB ARG 49 HB2 ARG 49 17.754 10.454 13.311 329 2HB ARG 49 HB1 ARG 49 19.145 10.042 14.314 330 1HG ARG 49 HG2 ARG 49 19.704 11.134 12.085 331 2HG ARG 49 HG1 ARG 49 20.510 9.596 12.392 332 1HD ARG 49 HD2 ARG 49 19.254 8.460 10.821 333 2HD ARG 49 HD1 ARG 49 17.861 9.526 11.012 334 HE ARG 49 HE ARG 49 19.268 11.253 9.749 335 1HH1 ARG 49 1HH1 ARG 49 18.545 8.232 8.655 336 2HH1 ARG 49 2HH1 ARG 49 19.799 8.138 7.463 337 1HH2 ARG 49 1HH2 ARG 49 21.437 10.985 8.577 338 2HH2 ARG 49 2HH2 ARG 49 21.436 9.695 7.419 339 H GLY 50 H GLY 50 20.442 8.404 14.590 340 1HA GLY 50 HA2 GLY 50 21.068 7.862 16.833 341 2HA GLY 50 HA1 GLY 50 19.446 7.221 17.103 342 H ASP 51 H ASP 51 22.028 6.483 14.727 343 HA ASP 51 HA ASP 51 22.876 4.404 14.043 344 1HB ASP 51 HB2 ASP 51 22.551 4.131 17.025 345 2HB ASP 51 HB1 ASP 51 23.109 2.760 16.063 346 H MET 52 H MET 52 19.895 4.888 14.066 347 HA MET 52 HA MET 52 18.907 2.103 14.415 348 1HB MET 52 HB2 MET 52 17.505 4.763 14.056 349 2HB MET 52 HB1 MET 52 16.651 3.220 13.993 350 1HG MET 52 HG2 MET 52 18.387 4.078 16.321 351 2HG MET 52 HG1 MET 52 16.640 4.308 16.268 352 1HE MET 52 HE1 MET 52 15.274 1.348 17.715 353 2HE MET 52 HE2 MET 52 15.070 2.931 16.968 354 3HE MET 52 HE3 MET 52 16.057 2.768 18.419 355 HA PRO 53 HA PRO 53 18.882 1.483 10.064 356 1HB PRO 53 HB2 PRO 53 16.983 -0.503 9.961 357 2HB PRO 53 HB1 PRO 53 18.641 -0.763 10.529 358 1HG PRO 53 HG2 PRO 53 16.123 -0.574 12.115 359 2HG PRO 53 HG1 PRO 53 17.629 -1.424 12.499 360 1HD PRO 53 HD2 PRO 53 16.817 1.068 13.564 361 2HD PRO 53 HD1 PRO 53 18.448 0.371 13.668 362 H ASP 54 H ASP 54 17.557 1.883 8.186 363 HA ASP 54 HA ASP 54 15.419 3.800 8.623 364 1HB ASP 54 HB2 ASP 54 16.075 2.447 6.003 365 2HB ASP 54 HB1 ASP 54 15.397 4.056 6.259 366 H ASP 55 H ASP 55 13.324 3.425 7.212 367 HA ASP 55 HA ASP 55 12.377 0.624 7.661 368 1HB ASP 55 HB2 ASP 55 10.784 3.172 8.080 369 2HB ASP 55 HB1 ASP 55 10.197 1.529 8.330 370 H ARG 56 H ARG 56 11.624 -0.282 5.803 371 HA ARG 56 HA ARG 56 10.582 1.544 3.680 372 1HB ARG 56 HB2 ARG 56 12.257 -0.930 3.218 373 2HB ARG 56 HB1 ARG 56 11.646 0.174 1.986 374 1HG ARG 56 HG2 ARG 56 13.128 1.566 4.084 375 2HG ARG 56 HG1 ARG 56 14.113 0.364 3.251 376 1HD ARG 56 HD2 ARG 56 13.520 1.336 1.083 377 2HD ARG 56 HD1 ARG 56 12.458 2.501 1.875 378 HE ARG 56 HE ARG 56 14.820 3.050 3.092 379 1HH1 ARG 56 1HH2 ARG 56 15.227 1.616 0.153 380 2HH1 ARG 56 2HH2 ARG 56 15.925 2.984 -0.650 381 1HH2 ARG 56 1HH1 ARG 56 15.188 5.198 1.914 382 2HH2 ARG 56 2HH1 ARG 56 15.903 5.012 0.347 383 H CYS 57 H CYS 57 8.532 1.038 3.158 384 HA CYS 57 HA CYS 57 7.139 -1.198 4.245 385 1HB CYS 57 HB2 CYS 57 6.489 0.524 1.835 386 2HB CYS 57 HB1 CYS 57 5.365 -0.602 2.592 387 H THR 58 H THR 58 6.280 -3.058 3.097 388 HA THR 58 HA THR 58 8.256 -4.252 1.306 389 HB THR 58 HB THR 58 7.005 -6.274 1.565 390 HG1 THR 58 HG1 THR 58 4.917 -6.274 1.883 391 1HG2 THR 58 1HG2 THR 58 8.049 -4.974 3.675 392 2HG2 THR 58 2HG2 THR 58 7.266 -6.548 3.827 393 3HG2 THR 58 3HG2 THR 58 6.373 -5.077 4.214 394 H GLY 59 H GLY 59 5.941 -2.052 0.712 395 1HA GLY 59 HA2 GLY 59 5.214 -1.341 -1.447 396 2HA GLY 59 HA1 GLY 59 5.724 -2.899 -2.100 397 H GLN 60 H GLN 60 4.362 -4.698 -0.567 398 HA GLN 60 HA GLN 60 1.641 -4.396 -1.568 399 1HB GLN 60 HB2 GLN 60 2.890 -6.516 0.208 400 2HB GLN 60 HB1 GLN 60 1.287 -6.622 -0.520 401 1HG GLN 60 HG2 GLN 60 2.519 -7.752 -2.120 402 2HG GLN 60 HG1 GLN 60 2.646 -6.108 -2.748 403 1HE2 GLN 60 1HE2 GLN 60 4.740 -7.161 -3.706 404 2HE2 GLN 60 2HE2 GLN 60 6.136 -7.075 -2.746 405 H SER 61 H SER 61 3.255 -3.431 1.263 406 HA SER 61 HA SER 61 0.759 -3.516 2.885 407 1HB SER 61 HB2 SER 61 3.669 -3.145 3.503 408 2HB SER 61 HB1 SER 61 2.472 -2.496 4.620 409 HG SER 61 HG SER 61 1.557 -4.593 4.711 410 H ALA 62 H ALA 62 -0.441 -1.689 3.205 411 HA ALA 62 HA ALA 62 0.347 0.790 1.855 412 1HB ALA 62 HB1 ALA 62 -2.026 0.106 3.622 413 2HB ALA 62 HB2 ALA 62 -2.010 0.159 1.860 414 3HB ALA 62 HB3 ALA 62 -1.819 1.646 2.790 415 H ASP 63 H ASP 63 -0.003 -0.342 5.204 416 HA ASP 63 HA ASP 63 0.985 2.254 6.230 417 1HB ASP 63 HB2 ASP 63 0.553 -0.172 7.951 418 2HB ASP 63 HB1 ASP 63 0.300 1.530 8.341 419 H CYS 64 H CYS 64 2.825 1.993 7.979 420 HA CYS 64 HA CYS 64 4.884 0.246 6.734 421 1HB CYS 64 HB2 CYS 64 5.538 2.571 6.761 422 2HB CYS 64 HB1 CYS 64 5.240 2.678 8.487 423 HA PRO 65 HA PRO 65 4.467 -2.149 10.442 424 1HB PRO 65 HB2 PRO 65 5.925 -4.238 9.440 425 2HB PRO 65 HB1 PRO 65 4.210 -4.002 9.095 426 1HG PRO 65 HG2 PRO 65 6.570 -3.597 7.338 427 2HG PRO 65 HG1 PRO 65 4.881 -3.899 6.895 428 1HD PRO 65 HD2 PRO 65 6.211 -1.393 6.844 429 2HD PRO 65 HD1 PRO 65 4.467 -1.666 6.653 430 H ARG 66 H ARG 66 5.940 -2.604 12.159 431 HA ARG 66 HA ARG 66 8.664 -1.461 11.772 432 1HB ARG 66 HB2 ARG 66 7.395 -0.461 13.594 433 2HB ARG 66 HB1 ARG 66 7.074 -2.051 14.287 434 1HG ARG 66 HG2 ARG 66 9.827 -2.048 14.041 435 2HG ARG 66 HG1 ARG 66 9.477 -0.378 14.493 436 1HD ARG 66 HD2 ARG 66 9.381 -1.152 16.619 437 2HD ARG 66 HD1 ARG 66 7.811 -1.817 16.164 438 HE ARG 66 HE ARG 66 9.591 -3.774 15.367 439 1HH1 ARG 66 1HH2 ARG 66 8.432 -2.305 18.232 440 2HH1 ARG 66 2HH2 ARG 66 9.190 -3.444 19.296 441 1HH2 ARG 66 1HH1 ARG 66 10.830 -5.130 16.749 442 2HH2 ARG 66 2HH1 ARG 66 10.548 -5.042 18.455 443 H TYR 67 H TYR 67 10.441 -2.764 11.892 444 HA TYR 67 HA TYR 67 9.982 -5.605 12.697 445 1HB TYR 67 HB2 TYR 67 11.343 -6.328 10.976 446 2HB TYR 67 HB1 TYR 67 10.721 -4.855 10.240 447 HD1 TYR 67 HD2 TYR 67 12.166 -2.662 11.248 448 HD2 TYR 67 HD1 TYR 67 13.603 -6.655 10.587 449 HE1 TYR 67 HE2 TYR 67 14.480 -1.797 11.060 450 HE2 TYR 67 HE1 TYR 67 15.918 -5.790 10.398 451 HH TYR 67 HH TYR 67 17.222 -3.881 11.047 452 H HIS 68 H HIS 68 11.841 -2.728 13.235 453 HA HIS 68 HA HIS 68 13.639 -2.281 14.687 454 1HB HIS 68 HB2 HIS 68 11.623 -3.070 16.163 455 2HB HIS 68 HB1 HIS 68 12.595 -4.523 16.399 456 HD1 HIS 68 HD1 HIS 68 12.539 -3.421 18.965 457 HD2 HIS 68 HD2 HIS 68 14.963 -1.576 16.119 458 HE1 HIS 68 HE1 HIS 68 14.205 -2.012 20.250 Start of MODEL 3 1 1H GLY 1 HT1 GLY 1 -11.186 -7.051 13.977 2 2H GLY 1 HT2 GLY 1 -12.790 -7.607 14.040 3 3H GLY 1 HT3 GLY 1 -12.144 -6.720 15.338 4 1HA GLY 1 HA1 GLY 1 -13.671 -5.634 13.464 5 2HA GLY 1 HA2 GLY 1 -12.426 -4.738 14.337 6 H LYS 2 H LYS 2 -12.557 -7.030 11.577 7 HA LYS 2 HA LYS 2 -10.521 -5.319 10.220 8 1HB LYS 2 HB2 LYS 2 -10.756 -8.132 10.544 9 2HB LYS 2 HB1 LYS 2 -11.032 -7.788 8.836 10 1HG LYS 2 HG2 LYS 2 -8.949 -6.431 8.796 11 2HG LYS 2 HG1 LYS 2 -8.661 -6.863 10.482 12 1HD LYS 2 HD2 LYS 2 -9.023 -8.935 8.308 13 2HD LYS 2 HD1 LYS 2 -7.442 -8.295 8.760 14 1HE LYS 2 HE2 LYS 2 -7.920 -8.977 11.133 15 2HE LYS 2 HE1 LYS 2 -9.389 -9.766 10.558 16 1HZ LYS 2 HZ1 LYS 2 -6.635 -10.375 9.627 17 2HZ LYS 2 HZ2 LYS 2 -8.057 -11.151 9.112 18 3HZ LYS 2 HZ3 LYS 2 -7.531 -11.312 10.720 19 H GLU 3 H GLU 3 -13.516 -4.896 10.357 20 HA GLU 3 HA GLU 3 -14.184 -5.207 7.469 21 1HB GLU 3 HB2 GLU 3 -15.718 -5.317 9.939 22 2HB GLU 3 HB1 GLU 3 -16.415 -4.162 8.800 23 1HG GLU 3 HG2 GLU 3 -15.537 -6.732 7.618 24 2HG GLU 3 HG1 GLU 3 -16.913 -6.837 8.718 25 H CYS 4 H CYS 4 -12.617 -3.027 9.240 26 HA CYS 4 HA CYS 4 -13.953 -0.710 7.904 27 1HB CYS 4 HB2 CYS 4 -13.013 -1.098 10.640 28 2HB CYS 4 HB1 CYS 4 -12.300 0.333 9.895 29 H ASP 5 H ASP 5 -12.743 -0.477 6.045 30 HA ASP 5 HA ASP 5 -9.848 -0.894 6.052 31 1HB ASP 5 HB2 ASP 5 -11.347 -1.361 4.070 32 2HB ASP 5 HB1 ASP 5 -11.549 0.382 3.891 33 H CYS 6 H CYS 6 -11.955 1.714 6.764 34 HA CYS 6 HA CYS 6 -9.618 3.578 6.677 35 1HB CYS 6 HB2 CYS 6 -11.214 5.411 6.150 36 2HB CYS 6 HB1 CYS 6 -11.166 4.190 4.880 37 H SER 7 H SER 7 -9.445 4.978 8.462 38 HA SER 7 HA SER 7 -10.831 4.078 10.877 39 1HB SER 7 HB2 SER 7 -9.322 5.495 12.061 40 2HB SER 7 HB1 SER 7 -8.386 4.818 10.732 41 HG SER 7 HG SER 7 -8.956 6.768 9.561 42 H SER 8 H SER 8 -11.398 6.452 8.480 43 HA SER 8 HA SER 8 -13.273 7.869 10.331 44 1HB SER 8 HB2 SER 8 -11.413 8.850 8.254 45 2HB SER 8 HB1 SER 8 -13.018 9.573 8.213 46 HG SER 8 HG SER 8 -11.197 10.404 9.702 47 HA PRO 9 HA PRO 9 -16.442 6.321 7.678 48 1HB PRO 9 HB2 PRO 9 -18.465 7.949 8.578 49 2HB PRO 9 HB1 PRO 9 -17.864 6.549 9.481 50 1HG PRO 9 HG2 PRO 9 -17.394 9.449 9.990 51 2HG PRO 9 HG1 PRO 9 -17.388 8.095 11.131 52 1HD PRO 9 HD2 PRO 9 -15.097 9.360 10.057 53 2HD PRO 9 HD1 PRO 9 -15.124 7.802 10.911 54 H GLU 10 H GLU 10 -15.615 9.729 7.839 55 HA GLU 10 HA GLU 10 -17.224 10.515 5.549 56 1HB GLU 10 HB2 GLU 10 -16.128 12.645 5.742 57 2HB GLU 10 HB1 GLU 10 -16.398 12.067 7.386 58 1HG GLU 10 HG2 GLU 10 -14.053 11.104 7.322 59 2HG GLU 10 HG1 GLU 10 -13.817 11.974 5.807 60 H ASN 11 H ASN 11 -14.186 8.947 5.970 61 HA ASN 11 HA ASN 11 -12.742 9.784 3.698 62 1HB ASN 11 HB2 ASN 11 -11.945 8.192 5.491 63 2HB ASN 11 HB1 ASN 11 -12.897 6.932 4.704 64 1HD2 ASN 11 1HD2 ASN 11 -9.824 7.487 4.955 65 2HD2 ASN 11 2HD2 ASN 11 -9.271 7.302 3.361 66 HA PRO 12 HA PRO 12 -15.573 8.304 0.575 67 1HB PRO 12 HB2 PRO 12 -14.164 9.343 -1.542 68 2HB PRO 12 HB1 PRO 12 -15.235 10.308 -0.513 69 1HG PRO 12 HG2 PRO 12 -12.256 10.243 -0.578 70 2HG PRO 12 HG1 PRO 12 -13.338 11.546 -0.062 71 1HD PRO 12 HD2 PRO 12 -11.923 9.776 1.644 72 2HD PRO 12 HD1 PRO 12 -13.228 10.880 2.126 73 H CYS 13 H CYS 13 -12.079 7.775 0.595 74 HA CYS 13 HA CYS 13 -11.906 5.915 -1.549 75 1HB CYS 13 HB2 CYS 13 -10.010 6.999 -0.130 76 2HB CYS 13 HB1 CYS 13 -10.256 5.632 0.956 77 H CYS 14 H CYS 14 -13.267 5.587 1.625 78 HA CYS 14 HA CYS 14 -13.503 2.639 1.162 79 1HB CYS 14 HB2 CYS 14 -13.547 2.308 3.535 80 2HB CYS 14 HB1 CYS 14 -12.190 3.386 3.206 81 H ASP 15 H ASP 15 -15.519 1.689 1.467 82 HA ASP 15 HA ASP 15 -17.822 3.343 0.936 83 1HB ASP 15 HB2 ASP 15 -17.353 0.816 0.370 84 2HB ASP 15 HB1 ASP 15 -18.017 0.530 1.975 85 H ALA 16 H ALA 16 -19.372 4.083 2.375 86 HA ALA 16 HA ALA 16 -18.665 4.140 5.201 87 1HB ALA 16 HB1 ALA 16 -21.276 5.021 3.946 88 2HB ALA 16 HB2 ALA 16 -19.818 6.013 3.917 89 3HB ALA 16 HB3 ALA 16 -20.564 5.585 5.457 90 H ALA 17 H ALA 17 -21.122 2.513 3.221 91 HA ALA 17 HA ALA 17 -22.597 1.375 5.394 92 1HB ALA 17 HB1 ALA 17 -23.702 1.253 3.335 93 2HB ALA 17 HB2 ALA 17 -23.146 -0.405 3.554 94 3HB ALA 17 HB3 ALA 17 -22.264 0.686 2.486 95 H THR 18 H THR 18 -19.686 0.330 3.685 96 HA THR 18 HA THR 18 -19.554 -2.021 5.529 97 HB THR 18 HB THR 18 -18.207 -3.137 3.877 98 HG1 THR 18 HG1 THR 18 -17.477 -2.069 2.065 99 1HG2 THR 18 1HG2 THR 18 -20.552 -3.285 3.376 100 2HG2 THR 18 2HG2 THR 18 -19.716 -3.001 1.850 101 3HG2 THR 18 3HG2 THR 18 -20.558 -1.675 2.654 102 H CYS 19 H CYS 19 -18.359 1.039 5.181 103 HA CYS 19 HA CYS 19 -16.393 2.112 5.914 104 1HB CYS 19 HB2 CYS 19 -17.291 1.215 8.050 105 2HB CYS 19 HB1 CYS 19 -16.386 -0.276 7.791 106 H LYS 20 H LYS 20 -16.124 0.122 3.734 107 HA LYS 20 HA LYS 20 -13.225 -0.456 4.139 108 1HB LYS 20 HB2 LYS 20 -15.403 -2.360 3.387 109 2HB LYS 20 HB1 LYS 20 -13.813 -2.573 2.651 110 1HG LYS 20 HG2 LYS 20 -13.107 -2.170 5.248 111 2HG LYS 20 HG1 LYS 20 -14.663 -2.974 5.458 112 1HD LYS 20 HD2 LYS 20 -13.453 -4.884 5.207 113 2HD LYS 20 HD1 LYS 20 -13.541 -4.502 3.487 114 1HE LYS 20 HE2 LYS 20 -11.389 -3.489 3.493 115 2HE LYS 20 HE1 LYS 20 -11.345 -3.418 5.255 116 1HZ LYS 20 HZ1 LYS 20 -10.023 -5.238 4.697 117 2HZ LYS 20 HZ2 LYS 20 -11.102 -5.787 3.505 118 3HZ LYS 20 HZ3 LYS 20 -11.502 -5.935 5.150 119 H LEU 21 H LEU 21 -12.016 -0.606 2.118 120 HA LEU 21 HA LEU 21 -12.361 1.400 0.277 121 1HB LEU 21 HB2 LEU 21 -11.202 -1.364 -0.054 122 2HB LEU 21 HB1 LEU 21 -11.214 -0.223 -1.400 123 HG LEU 21 HG LEU 21 -10.262 0.873 1.180 124 1HD1 LEU 21 1HD1 LEU 21 -9.334 -1.626 0.620 125 2HD1 LEU 21 2HD1 LEU 21 -8.376 -0.389 1.437 126 3HD1 LEU 21 3HD1 LEU 21 -8.193 -0.643 -0.299 127 1HD2 LEU 21 1HD2 LEU 21 -8.518 1.119 -1.118 128 2HD2 LEU 21 2HD2 LEU 21 -9.395 2.383 -0.255 129 3HD2 LEU 21 3HD2 LEU 21 -10.180 1.502 -1.567 130 H ARG 22 H ARG 22 -14.157 1.917 -0.863 131 HA ARG 22 HA ARG 22 -16.091 -0.119 -1.660 132 1HB ARG 22 HB2 ARG 22 -17.260 1.797 -1.187 133 2HB ARG 22 HB1 ARG 22 -15.944 2.855 -1.679 134 1HG ARG 22 HG2 ARG 22 -16.470 2.472 -4.034 135 2HG ARG 22 HG1 ARG 22 -17.713 1.300 -3.593 136 1HD ARG 22 HD2 ARG 22 -18.300 3.630 -2.116 137 2HD ARG 22 HD1 ARG 22 -17.913 4.180 -3.746 138 HE ARG 22 HE ARG 22 -19.990 2.098 -3.192 139 1HH1 ARG 22 1HH2 ARG 22 -18.439 3.845 -5.600 140 2HH1 ARG 22 2HH2 ARG 22 -19.883 4.398 -6.378 141 1HH2 ARG 22 1HH1 ARG 22 -21.991 3.212 -3.890 142 2HH2 ARG 22 2HH1 ARG 22 -21.896 4.040 -5.408 143 HA PRO 23 HA PRO 23 -14.528 1.056 -6.017 144 1HB PRO 23 HB2 PRO 23 -12.285 2.639 -6.180 145 2HB PRO 23 HB1 PRO 23 -13.938 3.278 -6.144 146 1HG PRO 23 HG2 PRO 23 -11.880 3.276 -3.988 147 2HG PRO 23 HG1 PRO 23 -13.239 4.384 -4.242 148 1HD PRO 23 HD2 PRO 23 -13.149 2.262 -2.374 149 2HD PRO 23 HD1 PRO 23 -14.598 3.167 -2.860 150 H GLY 24 H GLY 24 -11.965 0.989 -7.128 151 1HA GLY 24 HA2 GLY 24 -11.026 -1.626 -6.152 152 2HA GLY 24 HA1 GLY 24 -10.500 -0.823 -7.632 153 H ALA 25 H ALA 25 -10.526 1.115 -4.775 154 HA ALA 25 HA ALA 25 -7.691 1.595 -4.942 155 1HB ALA 25 HB1 ALA 25 -8.304 2.496 -2.461 156 2HB ALA 25 HB2 ALA 25 -9.919 2.434 -3.165 157 3HB ALA 25 HB3 ALA 25 -8.661 3.406 -3.927 158 H GLN 26 H GLN 26 -6.008 0.736 -3.688 159 HA GLN 26 HA GLN 26 -6.585 -1.858 -2.438 160 1HB GLN 26 HB2 GLN 26 -4.245 -0.455 -3.505 161 2HB GLN 26 HB1 GLN 26 -3.906 -1.331 -2.013 162 1HG GLN 26 HG2 GLN 26 -3.584 -2.998 -3.618 163 2HG GLN 26 HG1 GLN 26 -5.267 -3.255 -3.158 164 1HE2 GLN 26 1HE2 GLN 26 -5.681 -4.169 -5.341 165 2HE2 GLN 26 2HE2 GLN 26 -5.841 -3.136 -6.680 166 H CYS 27 H CYS 27 -6.159 1.395 -1.386 167 HA CYS 27 HA CYS 27 -6.605 0.599 1.378 168 1HB CYS 27 HB2 CYS 27 -4.406 0.329 1.886 169 2HB CYS 27 HB1 CYS 27 -3.875 1.109 0.406 170 H GLY 28 H GLY 28 -7.340 2.359 2.628 171 1HA GLY 28 HA2 GLY 28 -7.961 4.796 1.052 172 2HA GLY 28 HA1 GLY 28 -8.745 4.322 2.559 173 H GLU 29 H GLU 29 -5.912 3.675 3.580 174 HA GLU 29 HA GLU 29 -4.623 6.287 3.717 175 1HB GLU 29 HB2 GLU 29 -5.018 6.743 6.025 176 2HB GLU 29 HB1 GLU 29 -6.595 6.409 5.321 177 1HG GLU 29 HG2 GLU 29 -6.897 4.746 6.800 178 2HG GLU 29 HG1 GLU 29 -5.487 3.916 6.138 179 H GLY 30 H GLY 30 -2.523 6.135 4.589 180 1HA GLY 30 HA2 GLY 30 -1.331 4.242 6.186 181 2HA GLY 30 HA1 GLY 30 -1.388 3.438 4.614 182 H LEU 31 H LEU 31 1.135 3.761 5.223 183 HA LEU 31 HA LEU 31 2.004 6.447 4.293 184 1HB LEU 31 HB2 LEU 31 4.341 5.233 4.816 185 2HB LEU 31 HB1 LEU 31 3.406 6.065 6.057 186 HG LEU 31 HG LEU 31 2.280 3.879 6.565 187 1HD1 LEU 31 1HD1 LEU 31 4.187 2.076 5.568 188 2HD1 LEU 31 2HD1 LEU 31 3.832 3.134 4.216 189 3HD1 LEU 31 3HD1 LEU 31 2.533 2.253 5.009 190 1HD2 LEU 31 1HD2 LEU 31 4.321 4.856 7.751 191 2HD2 LEU 31 2HD2 LEU 31 5.281 3.723 6.815 192 3HD2 LEU 31 3HD2 LEU 31 4.077 3.126 7.946 193 H CYS 32 H CYS 32 1.791 3.128 3.392 194 HA CYS 32 HA CYS 32 3.412 3.604 0.939 195 1HB CYS 32 HB2 CYS 32 3.058 1.362 2.647 196 2HB CYS 32 HB1 CYS 32 2.296 0.950 1.110 197 H CYS 33 H CYS 33 0.704 4.740 1.476 198 HA CYS 33 HA CYS 33 -0.867 3.324 -0.634 199 1HB CYS 33 HB2 CYS 33 -1.764 5.218 1.557 200 2HB CYS 33 HB1 CYS 33 -2.828 4.519 0.340 201 H GLU 34 H GLU 34 -0.178 4.314 -2.523 202 HA GLU 34 HA GLU 34 -0.134 7.290 -2.611 203 1HB GLU 34 HB2 GLU 34 1.132 5.109 -4.168 204 2HB GLU 34 HB1 GLU 34 0.583 6.489 -5.120 205 1HG GLU 34 HG2 GLU 34 2.101 7.922 -4.171 206 2HG GLU 34 HG1 GLU 34 2.035 7.118 -2.601 207 H GLN 35 H GLN 35 -2.132 8.135 -3.048 208 HA GLN 35 HA GLN 35 -4.200 8.453 -4.121 209 1HB GLN 35 HB2 GLN 35 -2.602 6.925 -6.155 210 2HB GLN 35 HB1 GLN 35 -4.329 7.161 -6.426 211 1HG GLN 35 HG2 GLN 35 -3.467 9.670 -5.617 212 2HG GLN 35 HG1 GLN 35 -2.140 9.091 -6.624 213 1HE2 GLN 35 1HE2 GLN 35 -3.331 11.117 -7.847 214 2HE2 GLN 35 2HE2 GLN 35 -4.446 10.627 -9.029 215 H CYS 36 H CYS 36 -3.961 6.460 -2.132 216 HA CYS 36 HA CYS 36 -5.196 4.683 -1.241 217 1HB CYS 36 HB2 CYS 36 -6.876 5.525 -3.577 218 2HB CYS 36 HB1 CYS 36 -7.244 4.010 -2.769 219 H LYS 37 H LYS 37 -2.929 4.223 -3.075 220 HA LYS 37 HA LYS 37 -3.698 1.470 -3.954 221 1HB LYS 37 HB2 LYS 37 -2.651 3.666 -5.555 222 2HB LYS 37 HB1 LYS 37 -1.590 2.257 -5.616 223 1HG LYS 37 HG2 LYS 37 -3.085 1.724 -7.307 224 2HG LYS 37 HG1 LYS 37 -3.878 0.958 -5.931 225 1HD LYS 37 HD2 LYS 37 -5.694 2.198 -6.430 226 2HD LYS 37 HD1 LYS 37 -4.785 3.597 -5.856 227 1HE LYS 37 HE2 LYS 37 -5.597 4.056 -8.105 228 2HE LYS 37 HE1 LYS 37 -3.843 3.873 -8.154 229 1HZ LYS 37 HZ1 LYS 37 -4.379 1.426 -8.651 230 2HZ LYS 37 HZ2 LYS 37 -4.562 2.563 -9.899 231 3HZ LYS 37 HZ3 LYS 37 -5.925 1.993 -9.062 232 H PHE 38 H PHE 38 -2.265 -0.112 -3.327 233 HA PHE 38 HA PHE 38 -0.345 0.394 -1.297 234 1HB PHE 38 HB2 PHE 38 -0.595 -1.926 -3.231 235 2HB PHE 38 HB1 PHE 38 0.506 -1.916 -1.855 236 HD1 PHE 38 HD1 PHE 38 -1.279 -0.390 0.092 237 HD2 PHE 38 HD2 PHE 38 -2.072 -3.671 -2.565 238 HE1 PHE 38 HE1 PHE 38 -3.130 -1.137 1.563 239 HE2 PHE 38 HE2 PHE 38 -3.922 -4.417 -1.094 240 HZ PHE 38 HZ PHE 38 -4.452 -3.150 0.970 241 H SER 39 H SER 39 1.530 1.515 -1.538 242 HA SER 39 HA SER 39 2.729 2.077 -4.083 243 1HB SER 39 HB2 SER 39 4.268 2.115 -1.494 244 2HB SER 39 HB1 SER 39 4.401 3.207 -2.870 245 HG SER 39 HG SER 39 2.330 4.001 -2.336 246 H ARG 40 H ARG 40 5.528 1.367 -2.935 247 HA ARG 40 HA ARG 40 5.409 -1.528 -3.682 248 1HB ARG 40 HB2 ARG 40 6.793 0.568 -4.968 249 2HB ARG 40 HB1 ARG 40 8.021 -0.350 -4.096 250 1HG ARG 40 HG2 ARG 40 7.839 -2.108 -5.502 251 2HG ARG 40 HG1 ARG 40 6.077 -2.092 -5.406 252 1HD ARG 40 HD2 ARG 40 6.455 0.128 -6.894 253 2HD ARG 40 HD1 ARG 40 7.881 -0.788 -7.379 254 HE ARG 40 HE ARG 40 5.078 -1.529 -7.929 255 1HH1 ARG 40 1HH1 ARG 40 7.751 -3.285 -7.015 256 2HH1 ARG 40 2HH1 ARG 40 7.884 -4.204 -8.477 257 1HH2 ARG 40 1HH2 ARG 40 5.527 -2.325 -10.191 258 2HH2 ARG 40 2HH2 ARG 40 6.625 -3.662 -10.273 259 H ALA 41 H ALA 41 7.746 -2.496 -2.935 260 HA ALA 41 HA ALA 41 7.887 -1.886 -0.020 261 1HB ALA 41 HB1 ALA 41 7.547 -4.295 -1.262 262 2HB ALA 41 HB2 ALA 41 8.265 -4.112 0.338 263 3HB ALA 41 HB3 ALA 41 9.301 -4.263 -1.080 264 H GLY 42 H GLY 42 10.166 -2.281 0.908 265 1HA GLY 42 HA2 GLY 42 12.440 -1.687 0.954 266 2HA GLY 42 HA1 GLY 42 12.447 -1.831 -0.810 267 H LYS 43 H LYS 43 10.048 0.160 0.705 268 HA LYS 43 HA LYS 43 11.488 2.552 -0.393 269 1HB LYS 43 HB2 LYS 43 8.754 3.005 0.561 270 2HB LYS 43 HB1 LYS 43 9.502 3.465 -0.964 271 1HG LYS 43 HG2 LYS 43 8.689 0.624 -0.374 272 2HG LYS 43 HG1 LYS 43 7.598 1.804 -1.079 273 1HD LYS 43 HD2 LYS 43 10.305 1.461 -2.299 274 2HD LYS 43 HD1 LYS 43 9.057 0.266 -2.650 275 1HE LYS 43 HE2 LYS 43 8.360 1.697 -4.258 276 2HE LYS 43 HE1 LYS 43 7.704 2.660 -2.934 277 1HZ LYS 43 HZ1 LYS 43 9.628 3.985 -2.870 278 2HZ LYS 43 HZ2 LYS 43 9.227 3.852 -4.515 279 3HZ LYS 43 HZ3 LYS 43 10.499 2.929 -3.872 280 H ILE 44 H ILE 44 11.786 4.344 0.925 281 HA ILE 44 HA ILE 44 12.157 3.731 3.722 282 HB ILE 44 HB ILE 44 13.625 5.337 2.657 283 1HG1 ILE 44 2HG1 ILE 44 13.532 7.122 4.274 284 2HG1 ILE 44 1HG1 ILE 44 11.802 6.885 4.523 285 1HG2 ILE 44 1HG2 ILE 44 11.820 7.563 2.377 286 2HG2 ILE 44 2HG2 ILE 44 11.215 6.188 1.451 287 3HG2 ILE 44 3HG2 ILE 44 12.841 6.805 1.154 288 1HD1 ILE 44 1HD1 ILE 44 13.561 4.525 4.983 289 2HD1 ILE 44 2HD1 ILE 44 12.107 5.030 5.847 290 3HD1 ILE 44 3HD1 ILE 44 13.648 5.827 6.169 291 H CYS 45 H CYS 45 9.822 3.034 4.055 292 HA CYS 45 HA CYS 45 7.607 4.763 3.884 293 1HB CYS 45 HB2 CYS 45 6.820 3.492 6.003 294 2HB CYS 45 HB1 CYS 45 7.033 2.598 4.507 295 H ARG 46 H ARG 46 10.264 4.809 6.152 296 HA ARG 46 HA ARG 46 9.216 7.362 7.229 297 1HB ARG 46 HB2 ARG 46 9.729 4.865 8.828 298 2HB ARG 46 HB1 ARG 46 9.990 6.445 9.567 299 1HG ARG 46 HG2 ARG 46 7.716 7.084 9.246 300 2HG ARG 46 HG1 ARG 46 7.417 5.736 8.148 301 1HD ARG 46 HD2 ARG 46 7.206 4.213 9.853 302 2HD ARG 46 HD1 ARG 46 8.372 5.046 10.882 303 HE ARG 46 HE ARG 46 6.209 6.778 10.787 304 1HH1 ARG 46 1HH1 ARG 46 6.670 3.428 11.486 305 2HH1 ARG 46 2HH1 ARG 46 5.397 3.364 12.657 306 1HH2 ARG 46 1HH2 ARG 46 4.566 6.714 12.340 307 2HH2 ARG 46 2HH2 ARG 46 4.206 5.221 13.138 308 H ILE 47 H ILE 47 10.879 8.668 6.650 309 HA ILE 47 HA ILE 47 13.617 7.704 6.533 310 HB ILE 47 HB ILE 47 12.374 9.626 5.184 311 1HG1 ILE 47 2HG1 ILE 47 15.200 10.258 5.949 312 2HG1 ILE 47 1HG1 ILE 47 14.852 8.703 5.187 313 1HG2 ILE 47 1HG2 ILE 47 12.896 11.851 6.014 314 2HG2 ILE 47 2HG2 ILE 47 13.713 11.173 7.421 315 3HG2 ILE 47 3HG2 ILE 47 11.969 10.992 7.244 316 1HD1 ILE 47 1HD1 ILE 47 14.861 11.386 4.015 317 2HD1 ILE 47 2HD1 ILE 47 13.390 10.482 3.655 318 3HD1 ILE 47 3HD1 ILE 47 14.964 9.816 3.223 319 HA PRO 48 HA PRO 48 14.631 8.645 10.724 320 1HB PRO 48 HB2 PRO 48 17.356 8.426 10.462 321 2HB PRO 48 HB1 PRO 48 16.265 7.030 10.520 322 1HG PRO 48 HG2 PRO 48 17.701 8.188 8.180 323 2HG PRO 48 HG1 PRO 48 17.129 6.531 8.438 324 1HD PRO 48 HD2 PRO 48 15.865 8.509 6.838 325 2HD PRO 48 HD1 PRO 48 15.166 6.953 7.338 326 H ARG 49 H ARG 49 14.579 10.726 11.520 327 HA ARG 49 HA ARG 49 16.090 12.836 10.057 328 1HB ARG 49 HB2 ARG 49 13.507 12.791 11.082 329 2HB ARG 49 HB1 ARG 49 14.406 13.726 12.278 330 1HG ARG 49 HG2 ARG 49 14.761 15.459 10.845 331 2HG ARG 49 HG1 ARG 49 15.029 14.390 9.466 332 1HD ARG 49 HD2 ARG 49 12.934 14.792 8.753 333 2HD ARG 49 HD1 ARG 49 12.302 14.115 10.253 334 HE ARG 49 HE ARG 49 11.822 16.312 10.929 335 1HH1 ARG 49 1HH1 ARG 49 13.623 16.372 8.047 336 2HH1 ARG 49 2HH1 ARG 49 14.082 18.036 8.186 337 1HH2 ARG 49 1HH2 ARG 49 12.719 18.426 11.349 338 2HH2 ARG 49 2HH2 ARG 49 13.570 19.199 10.054 339 H GLY 50 H GLY 50 18.039 11.678 11.183 340 1HA GLY 50 HA2 GLY 50 19.527 13.109 12.809 341 2HA GLY 50 HA1 GLY 50 18.331 12.600 14.000 342 H ASP 51 H ASP 51 20.694 11.320 11.658 343 HA ASP 51 HA ASP 51 21.767 9.217 11.604 344 1HB ASP 51 HB2 ASP 51 22.378 10.635 13.946 345 2HB ASP 51 HB1 ASP 51 22.066 8.984 14.483 346 H MET 52 H MET 52 18.916 8.992 11.695 347 HA MET 52 HA MET 52 18.459 6.724 13.573 348 1HB MET 52 HB2 MET 52 16.740 8.735 12.222 349 2HB MET 52 HB1 MET 52 16.053 7.120 12.378 350 1HG MET 52 HG2 MET 52 15.679 7.429 14.578 351 2HG MET 52 HG1 MET 52 17.360 7.895 14.842 352 1HE MET 52 HE1 MET 52 14.450 10.369 16.215 353 2HE MET 52 HE2 MET 52 15.994 9.804 16.845 354 3HE MET 52 HE3 MET 52 14.831 8.643 16.210 355 HA PRO 53 HA PRO 53 18.418 3.768 10.322 356 1HB PRO 53 HB2 PRO 53 16.293 2.172 11.032 357 2HB PRO 53 HB1 PRO 53 17.853 2.162 11.873 358 1HG PRO 53 HG2 PRO 53 15.257 3.349 12.743 359 2HG PRO 53 HG1 PRO 53 16.604 2.752 13.727 360 1HD PRO 53 HD2 PRO 53 16.040 5.464 13.181 361 2HD PRO 53 HD1 PRO 53 17.560 4.832 13.848 362 H ASP 54 H ASP 54 17.195 2.981 8.420 363 HA ASP 54 HA ASP 54 15.007 4.871 7.673 364 1HB ASP 54 HB2 ASP 54 16.724 3.133 5.873 365 2HB ASP 54 HB1 ASP 54 15.587 4.379 5.356 366 H ASP 55 H ASP 55 13.061 3.913 8.136 367 HA ASP 55 HA ASP 55 12.643 1.052 8.110 368 1HB ASP 55 HB2 ASP 55 10.443 3.096 7.825 369 2HB ASP 55 HB1 ASP 55 10.396 1.540 8.654 370 H ARG 56 H ARG 56 11.989 -0.246 6.411 371 HA ARG 56 HA ARG 56 11.694 1.095 3.772 372 1HB ARG 56 HB2 ARG 56 12.189 -1.813 4.440 373 2HB ARG 56 HB1 ARG 56 12.161 -1.115 2.820 374 1HG ARG 56 HG2 ARG 56 13.956 0.244 4.740 375 2HG ARG 56 HG1 ARG 56 14.431 -1.398 4.305 376 1HD ARG 56 HD2 ARG 56 14.383 -0.841 1.940 377 2HD ARG 56 HD1 ARG 56 13.746 0.765 2.295 378 HE ARG 56 HE ARG 56 15.930 1.323 3.301 379 1HH1 ARG 56 1HH2 ARG 56 15.829 -1.950 2.400 380 2HH1 ARG 56 2HH2 ARG 56 17.447 -1.994 1.782 381 1HH2 ARG 56 1HH1 ARG 56 17.960 1.418 2.147 382 2HH2 ARG 56 2HH1 ARG 56 18.654 -0.086 1.640 383 H CYS 57 H CYS 57 9.923 0.710 2.466 384 HA CYS 57 HA CYS 57 7.438 -0.041 3.803 385 1HB CYS 57 HB2 CYS 57 8.174 1.529 1.569 386 2HB CYS 57 HB1 CYS 57 7.229 0.191 0.926 387 H THR 58 H THR 58 6.111 -1.834 3.150 388 HA THR 58 HA THR 58 7.676 -4.123 2.113 389 HB THR 58 HB THR 58 4.922 -4.747 2.725 390 HG1 THR 58 HG1 THR 58 4.764 -3.955 4.728 391 1HG2 THR 58 1HG2 THR 58 6.382 -5.910 4.676 392 2HG2 THR 58 2HG2 THR 58 7.667 -5.545 3.523 393 3HG2 THR 58 3HG2 THR 58 6.300 -6.546 3.032 394 H GLY 59 H GLY 59 5.440 -1.790 1.017 395 1HA GLY 59 HA2 GLY 59 4.646 -1.494 -1.194 396 2HA GLY 59 HA1 GLY 59 5.335 -3.060 -1.617 397 H GLN 60 H GLN 60 4.112 -4.875 -0.114 398 HA GLN 60 HA GLN 60 1.353 -4.800 -1.083 399 1HB GLN 60 HB2 GLN 60 2.843 -6.852 0.582 400 2HB GLN 60 HB1 GLN 60 1.224 -7.077 -0.083 401 1HG GLN 60 HG2 GLN 60 3.728 -6.533 -1.705 402 2HG GLN 60 HG1 GLN 60 2.935 -8.101 -1.544 403 1HE2 GLN 60 1HE2 GLN 60 0.326 -7.752 -1.976 404 2HE2 GLN 60 2HE2 GLN 60 -0.001 -6.933 -3.427 405 H SER 61 H SER 61 2.751 -3.387 1.524 406 HA SER 61 HA SER 61 0.315 -3.818 3.210 407 1HB SER 61 HB2 SER 61 3.145 -3.167 4.076 408 2HB SER 61 HB1 SER 61 1.758 -3.236 5.158 409 HG SER 61 HG SER 61 2.202 -5.408 3.467 410 H ALA 62 H ALA 62 -0.958 -2.040 3.218 411 HA ALA 62 HA ALA 62 -0.299 0.464 2.101 412 1HB ALA 62 HB1 ALA 62 -2.435 -0.576 3.865 413 2HB ALA 62 HB2 ALA 62 -2.558 0.426 2.419 414 3HB ALA 62 HB3 ALA 62 -2.162 1.164 3.971 415 H ASP 63 H ASP 63 -0.057 -0.640 5.475 416 HA ASP 63 HA ASP 63 1.190 1.935 6.246 417 1HB ASP 63 HB2 ASP 63 0.952 -0.390 8.121 418 2HB ASP 63 HB1 ASP 63 0.778 1.333 8.451 419 H CYS 64 H CYS 64 3.228 1.591 7.753 420 HA CYS 64 HA CYS 64 5.034 -0.253 6.271 421 1HB CYS 64 HB2 CYS 64 5.787 2.037 6.162 422 2HB CYS 64 HB1 CYS 64 5.704 2.200 7.907 423 HA PRO 65 HA PRO 65 4.800 -2.529 10.082 424 1HB PRO 65 HB2 PRO 65 5.657 -4.848 8.910 425 2HB PRO 65 HB1 PRO 65 3.981 -4.300 8.865 426 1HG PRO 65 HG2 PRO 65 6.012 -4.355 6.702 427 2HG PRO 65 HG1 PRO 65 4.247 -4.303 6.578 428 1HD PRO 65 HD2 PRO 65 6.046 -2.119 6.242 429 2HD PRO 65 HD1 PRO 65 4.275 -2.033 6.306 430 H ARG 66 H ARG 66 7.552 -2.639 7.800 431 HA ARG 66 HA ARG 66 9.384 -3.566 9.880 432 1HB ARG 66 HB2 ARG 66 9.454 -3.181 6.999 433 2HB ARG 66 HB1 ARG 66 10.910 -2.544 7.767 434 1HG ARG 66 HG2 ARG 66 11.465 -4.630 8.723 435 2HG ARG 66 HG1 ARG 66 9.836 -5.266 8.500 436 1HD ARG 66 HD2 ARG 66 11.530 -4.466 6.135 437 2HD ARG 66 HD1 ARG 66 11.671 -6.069 6.857 438 HE ARG 66 HE ARG 66 9.178 -4.998 5.606 439 1HH1 ARG 66 1HH1 ARG 66 11.406 -7.352 5.144 440 2HH1 ARG 66 2HH1 ARG 66 10.320 -8.699 5.231 441 1HH2 ARG 66 1HH2 ARG 66 7.661 -6.816 6.420 442 2HH2 ARG 66 2HH2 ARG 66 8.198 -8.394 5.954 443 H TYR 67 H TYR 67 9.676 -2.090 11.513 444 HA TYR 67 HA TYR 67 9.997 0.772 10.883 445 1HB TYR 67 HB2 TYR 67 8.739 -0.094 12.916 446 2HB TYR 67 HB1 TYR 67 10.301 -0.584 13.574 447 HD1 TYR 67 HD2 TYR 67 8.491 2.374 12.172 448 HD2 TYR 67 HD1 TYR 67 11.642 0.966 14.729 449 HE1 TYR 67 HE2 TYR 67 8.884 4.692 12.962 450 HE2 TYR 67 HE1 TYR 67 12.035 3.285 15.519 451 HH TYR 67 HH TYR 67 10.056 5.621 15.413 452 H HIS 68 H HIS 68 11.998 -1.864 10.779 453 HA HIS 68 HA HIS 68 14.332 -2.133 10.873 454 1HB HIS 68 HB2 HIS 68 13.762 0.533 9.797 455 2HB HIS 68 HB1 HIS 68 15.350 0.429 10.558 456 HD1 HIS 68 HD1 HIS 68 13.265 -1.334 7.910 457 HD2 HIS 68 HD2 HIS 68 17.254 -0.946 9.059 458 HE1 HIS 68 HE1 HIS 68 14.641 -2.482 6.120 Start of MODEL 4 1 1H GLY 1 HT1 GLY 1 -11.821 -1.429 13.683 2 2H GLY 1 HT2 GLY 1 -12.533 -1.961 12.236 3 3H GLY 1 HT3 GLY 1 -11.137 -0.994 12.194 4 1HA GLY 1 HA1 GLY 1 -9.755 -2.692 12.904 5 2HA GLY 1 HA2 GLY 1 -11.111 -3.614 13.549 6 H LYS 2 H LYS 2 -12.039 -5.133 12.227 7 HA LYS 2 HA LYS 2 -10.872 -5.509 9.553 8 1HB LYS 2 HB2 LYS 2 -12.663 -7.115 11.353 9 2HB LYS 2 HB1 LYS 2 -12.564 -7.518 9.641 10 1HG LYS 2 HG2 LYS 2 -10.370 -8.202 9.781 11 2HG LYS 2 HG1 LYS 2 -9.993 -7.076 11.085 12 1HD LYS 2 HD2 LYS 2 -11.243 -8.464 12.677 13 2HD LYS 2 HD1 LYS 2 -11.683 -9.577 11.381 14 1HE LYS 2 HE2 LYS 2 -9.046 -9.635 11.015 15 2HE LYS 2 HE1 LYS 2 -9.039 -9.177 12.718 16 1HZ LYS 2 HZ1 LYS 2 -10.875 -11.304 12.036 17 2HZ LYS 2 HZ2 LYS 2 -9.802 -11.170 13.346 18 3HZ LYS 2 HZ3 LYS 2 -9.237 -11.695 11.832 19 H GLU 3 H GLU 3 -13.501 -3.831 10.834 20 HA GLU 3 HA GLU 3 -15.069 -4.118 8.310 21 1HB GLU 3 HB2 GLU 3 -15.766 -3.474 11.133 22 2HB GLU 3 HB1 GLU 3 -16.688 -2.643 9.879 23 1HG GLU 3 HG2 GLU 3 -17.898 -4.646 10.295 24 2HG GLU 3 HG1 GLU 3 -17.003 -4.959 8.807 25 H CYS 4 H CYS 4 -12.933 -2.036 9.952 26 HA CYS 4 HA CYS 4 -13.715 0.198 8.116 27 1HB CYS 4 HB2 CYS 4 -12.791 0.331 11.000 28 2HB CYS 4 HB1 CYS 4 -12.839 1.736 9.938 29 H ASP 5 H ASP 5 -12.144 -0.191 6.571 30 HA ASP 5 HA ASP 5 -9.407 -0.878 7.256 31 1HB ASP 5 HB2 ASP 5 -10.665 -1.428 5.076 32 2HB ASP 5 HB1 ASP 5 -10.331 0.239 4.604 33 H CYS 6 H CYS 6 -11.139 2.117 6.624 34 HA CYS 6 HA CYS 6 -8.556 3.601 6.688 35 1HB CYS 6 HB2 CYS 6 -9.926 5.546 5.954 36 2HB CYS 6 HB1 CYS 6 -10.037 4.187 4.838 37 H SER 7 H SER 7 -8.616 5.683 7.986 38 HA SER 7 HA SER 7 -10.003 5.169 10.581 39 1HB SER 7 HB2 SER 7 -7.472 6.700 9.928 40 2HB SER 7 HB1 SER 7 -8.232 6.706 11.517 41 HG SER 7 HG SER 7 -7.013 4.593 10.107 42 H SER 8 H SER 8 -10.680 6.797 7.933 43 HA SER 8 HA SER 8 -11.857 9.067 9.448 44 1HB SER 8 HB2 SER 8 -9.772 9.252 7.413 45 2HB SER 8 HB1 SER 8 -11.203 10.182 6.979 46 HG SER 8 HG SER 8 -9.831 10.287 9.467 47 HA PRO 9 HA PRO 9 -15.347 7.918 7.013 48 1HB PRO 9 HB2 PRO 9 -16.887 10.132 7.546 49 2HB PRO 9 HB1 PRO 9 -16.634 8.815 8.706 50 1HG PRO 9 HG2 PRO 9 -15.461 11.557 8.694 51 2HG PRO 9 HG1 PRO 9 -15.749 10.465 10.059 52 1HD PRO 9 HD2 PRO 9 -13.253 10.931 8.801 53 2HD PRO 9 HD1 PRO 9 -13.621 9.624 9.946 54 H GLU 10 H GLU 10 -14.214 11.301 6.710 55 HA GLU 10 HA GLU 10 -15.449 11.887 4.225 56 1HB GLU 10 HB2 GLU 10 -14.155 13.460 5.818 57 2HB GLU 10 HB1 GLU 10 -12.708 12.903 4.978 58 1HG GLU 10 HG2 GLU 10 -13.139 14.487 3.429 59 2HG GLU 10 HG1 GLU 10 -14.501 13.488 2.921 60 H ASN 11 H ASN 11 -12.344 10.326 4.955 61 HA ASN 11 HA ASN 11 -11.137 10.183 2.478 62 1HB ASN 11 HB2 ASN 11 -10.258 9.116 4.544 63 2HB ASN 11 HB1 ASN 11 -11.466 7.844 4.376 64 1HD2 ASN 11 1HD2 ASN 11 -9.494 6.375 4.183 65 2HD2 ASN 11 2HD2 ASN 11 -8.754 6.221 2.665 66 HA PRO 12 HA PRO 12 -14.497 8.230 0.214 67 1HB PRO 12 HB2 PRO 12 -13.442 8.791 -2.261 68 2HB PRO 12 HB1 PRO 12 -14.376 9.957 -1.307 69 1HG PRO 12 HG2 PRO 12 -11.434 9.855 -1.791 70 2HG PRO 12 HG1 PRO 12 -12.463 11.249 -1.423 71 1HD PRO 12 HD2 PRO 12 -10.780 9.907 0.411 72 2HD PRO 12 HD1 PRO 12 -12.059 11.069 0.827 73 H CYS 13 H CYS 13 -11.049 7.630 -0.033 74 HA CYS 13 HA CYS 13 -10.987 5.468 -1.831 75 1HB CYS 13 HB2 CYS 13 -9.085 6.668 -0.414 76 2HB CYS 13 HB1 CYS 13 -9.346 5.298 0.662 77 H CYS 14 H CYS 14 -12.216 5.607 1.439 78 HA CYS 14 HA CYS 14 -12.750 2.667 1.282 79 1HB CYS 14 HB2 CYS 14 -12.649 2.568 3.680 80 2HB CYS 14 HB1 CYS 14 -11.220 3.454 3.148 81 H ASP 15 H ASP 15 -14.859 2.012 1.501 82 HA ASP 15 HA ASP 15 -17.013 3.774 1.036 83 1HB ASP 15 HB2 ASP 15 -17.010 1.232 0.837 84 2HB ASP 15 HB1 ASP 15 -17.208 1.183 2.591 85 H ALA 16 H ALA 16 -18.157 5.120 2.389 86 HA ALA 16 HA ALA 16 -17.223 5.547 5.098 87 1HB ALA 16 HB1 ALA 16 -19.721 6.581 3.722 88 2HB ALA 16 HB2 ALA 16 -18.149 7.379 3.718 89 3HB ALA 16 HB3 ALA 16 -19.045 7.201 5.228 90 H ALA 17 H ALA 17 -19.938 3.820 3.647 91 HA ALA 17 HA ALA 17 -21.353 3.394 6.134 92 1HB ALA 17 HB1 ALA 17 -22.070 3.087 3.569 93 2HB ALA 17 HB2 ALA 17 -22.859 2.195 4.869 94 3HB ALA 17 HB3 ALA 17 -21.597 1.422 3.908 95 H THR 18 H THR 18 -18.979 1.497 4.283 96 HA THR 18 HA THR 18 -18.842 -0.399 6.589 97 HB THR 18 HB THR 18 -18.001 -2.052 5.062 98 HG1 THR 18 HG1 THR 18 -16.699 -1.130 3.663 99 1HG2 THR 18 1HG2 THR 18 -20.208 -0.480 3.703 100 2HG2 THR 18 2HG2 THR 18 -20.437 -1.677 4.978 101 3HG2 THR 18 3HG2 THR 18 -19.819 -2.173 3.402 102 H CYS 19 H CYS 19 -17.442 2.320 5.858 103 HA CYS 19 HA CYS 19 -15.228 3.188 5.833 104 1HB CYS 19 HB2 CYS 19 -14.019 2.227 7.973 105 2HB CYS 19 HB1 CYS 19 -15.406 3.286 8.135 106 H LYS 20 H LYS 20 -15.356 0.935 4.049 107 HA LYS 20 HA LYS 20 -12.563 -0.046 4.444 108 1HB LYS 20 HB2 LYS 20 -14.932 -1.743 3.625 109 2HB LYS 20 HB1 LYS 20 -13.251 -2.277 3.595 110 1HG LYS 20 HG2 LYS 20 -13.709 -1.155 6.163 111 2HG LYS 20 HG1 LYS 20 -15.071 -2.222 5.819 112 1HD LYS 20 HD2 LYS 20 -12.131 -2.941 5.723 113 2HD LYS 20 HD1 LYS 20 -13.339 -3.553 6.852 114 1HE LYS 20 HE2 LYS 20 -14.201 -3.947 4.109 115 2HE LYS 20 HE1 LYS 20 -12.626 -4.691 4.384 116 1HZ LYS 20 HZ1 LYS 20 -14.045 -5.319 6.617 117 2HZ LYS 20 HZ2 LYS 20 -13.765 -6.351 5.298 118 3HZ LYS 20 HZ3 LYS 20 -15.201 -5.449 5.384 119 H LEU 21 H LEU 21 -11.505 -0.687 2.443 120 HA LEU 21 HA LEU 21 -11.589 1.084 0.353 121 1HB LEU 21 HB2 LEU 21 -10.829 -1.806 0.505 122 2HB LEU 21 HB1 LEU 21 -10.908 -1.053 -1.087 123 HG LEU 21 HG LEU 21 -9.566 0.741 0.703 124 1HD1 LEU 21 1HD1 LEU 21 -9.185 -1.884 1.531 125 2HD1 LEU 21 2HD1 LEU 21 -8.104 -0.534 1.872 126 3HD1 LEU 21 3HD1 LEU 21 -7.795 -1.583 0.487 127 1HD2 LEU 21 1HD2 LEU 21 -8.033 -0.803 -1.317 128 2HD2 LEU 21 2HD2 LEU 21 -8.179 0.942 -1.109 129 3HD2 LEU 21 3HD2 LEU 21 -9.458 0.041 -1.924 130 H ARG 22 H ARG 22 -13.431 1.763 -0.635 131 HA ARG 22 HA ARG 22 -15.541 -0.165 -1.330 132 1HB ARG 22 HB2 ARG 22 -15.804 2.310 -0.470 133 2HB ARG 22 HB1 ARG 22 -15.600 2.710 -2.176 134 1HG ARG 22 HG2 ARG 22 -17.389 0.813 -2.537 135 2HG ARG 22 HG1 ARG 22 -17.790 1.145 -0.852 136 1HD ARG 22 HD2 ARG 22 -17.746 3.662 -1.676 137 2HD ARG 22 HD1 ARG 22 -18.051 2.921 -3.248 138 HE ARG 22 HE ARG 22 -19.858 2.690 -0.884 139 1HH1 ARG 22 1HH2 ARG 22 -20.453 4.234 -3.471 140 2HH1 ARG 22 2HH2 ARG 22 -21.510 3.120 -4.275 141 1HH2 ARG 22 1HH1 ARG 22 -20.661 0.438 -2.245 142 2HH2 ARG 22 2HH1 ARG 22 -21.627 0.972 -3.581 143 HA PRO 23 HA PRO 23 -14.203 1.238 -5.699 144 1HB PRO 23 HB2 PRO 23 -11.834 2.611 -5.929 145 2HB PRO 23 HB1 PRO 23 -13.408 3.396 -5.713 146 1HG PRO 23 HG2 PRO 23 -11.203 3.049 -3.744 147 2HG PRO 23 HG1 PRO 23 -12.479 4.275 -3.793 148 1HD PRO 23 HD2 PRO 23 -12.411 1.983 -2.123 149 2HD PRO 23 HD1 PRO 23 -13.797 3.065 -2.365 150 H GLY 24 H GLY 24 -11.883 0.921 -7.104 151 1HA GLY 24 HA2 GLY 24 -11.032 -1.779 -6.282 152 2HA GLY 24 HA1 GLY 24 -10.683 -1.010 -7.830 153 H ALA 25 H ALA 25 -10.098 0.750 -4.875 154 HA ALA 25 HA ALA 25 -7.288 1.044 -5.550 155 1HB ALA 25 HB1 ALA 25 -9.074 1.989 -3.334 156 2HB ALA 25 HB2 ALA 25 -8.087 2.929 -4.451 157 3HB ALA 25 HB3 ALA 25 -7.328 2.070 -3.111 158 H GLN 26 H GLN 26 -5.625 0.611 -3.673 159 HA GLN 26 HA GLN 26 -6.120 -2.178 -2.719 160 1HB GLN 26 HB2 GLN 26 -3.936 -0.972 -4.128 161 2HB GLN 26 HB1 GLN 26 -3.359 -1.500 -2.546 162 1HG GLN 26 HG2 GLN 26 -3.122 -3.478 -3.720 163 2HG GLN 26 HG1 GLN 26 -4.780 -3.668 -3.151 164 1HE2 GLN 26 1HE2 GLN 26 -3.064 -4.200 -5.858 165 2HE2 GLN 26 2HE2 GLN 26 -4.212 -3.811 -7.046 166 H CYS 27 H CYS 27 -5.834 1.007 -1.645 167 HA CYS 27 HA CYS 27 -5.861 0.189 1.137 168 1HB CYS 27 HB2 CYS 27 -3.751 1.588 1.658 169 2HB CYS 27 HB1 CYS 27 -3.514 -0.034 1.003 170 H GLY 28 H GLY 28 -6.932 1.738 2.286 171 1HA GLY 28 HA2 GLY 28 -7.383 4.352 0.929 172 2HA GLY 28 HA1 GLY 28 -8.482 3.628 2.098 173 H GLU 29 H GLU 29 -5.277 3.200 3.062 174 HA GLU 29 HA GLU 29 -4.846 5.790 4.289 175 1HB GLU 29 HB2 GLU 29 -5.327 5.261 6.563 176 2HB GLU 29 HB1 GLU 29 -6.746 4.759 5.647 177 1HG GLU 29 HG2 GLU 29 -6.488 2.749 6.657 178 2HG GLU 29 HG1 GLU 29 -5.135 2.513 5.552 179 H GLY 30 H GLY 30 -2.997 5.590 5.959 180 1HA GLY 30 HA2 GLY 30 -1.109 4.204 6.761 181 2HA GLY 30 HA1 GLY 30 -1.193 3.315 5.240 182 H LEU 31 H LEU 31 1.213 4.382 5.971 183 HA LEU 31 HA LEU 31 1.470 6.920 4.488 184 1HB LEU 31 HB2 LEU 31 3.902 6.744 5.262 185 2HB LEU 31 HB1 LEU 31 2.698 7.057 6.497 186 HG LEU 31 HG LEU 31 4.533 5.276 6.946 187 1HD1 LEU 31 1HD1 LEU 31 3.191 4.635 8.630 188 2HD1 LEU 31 2HD1 LEU 31 2.015 3.923 7.528 189 3HD1 LEU 31 3HD1 LEU 31 1.953 5.648 7.889 190 1HD2 LEU 31 1HD2 LEU 31 4.102 3.054 6.125 191 2HD2 LEU 31 2HD2 LEU 31 4.128 4.128 4.734 192 3HD2 LEU 31 3HD2 LEU 31 2.599 3.557 5.382 193 H CYS 32 H CYS 32 1.623 3.631 3.904 194 HA CYS 32 HA CYS 32 3.621 3.928 1.713 195 1HB CYS 32 HB2 CYS 32 2.319 1.487 2.957 196 2HB CYS 32 HB1 CYS 32 3.391 1.420 1.561 197 H CYS 33 H CYS 33 0.489 4.584 2.035 198 HA CYS 33 HA CYS 33 -0.393 3.156 -0.416 199 1HB CYS 33 HB2 CYS 33 -1.860 3.228 1.656 200 2HB CYS 33 HB1 CYS 33 -2.061 4.952 1.360 201 H GLU 34 H GLU 34 0.259 4.226 -2.220 202 HA GLU 34 HA GLU 34 0.006 7.201 -2.263 203 1HB GLU 34 HB2 GLU 34 2.175 5.703 -2.937 204 2HB GLU 34 HB1 GLU 34 1.366 5.807 -4.500 205 1HG GLU 34 HG2 GLU 34 2.817 7.708 -4.376 206 2HG GLU 34 HG1 GLU 34 1.184 8.315 -4.099 207 H GLN 35 H GLN 35 -1.695 7.994 -3.418 208 HA GLN 35 HA GLN 35 -3.485 8.070 -4.938 209 1HB GLN 35 HB2 GLN 35 -1.434 7.471 -6.475 210 2HB GLN 35 HB1 GLN 35 -2.182 5.875 -6.531 211 1HG GLN 35 HG2 GLN 35 -3.989 8.195 -6.970 212 2HG GLN 35 HG1 GLN 35 -2.834 7.846 -8.256 213 1HE2 GLN 35 1HE2 GLN 35 -2.694 5.118 -8.363 214 2HE2 GLN 35 2HE2 GLN 35 -4.221 4.432 -8.637 215 H CYS 36 H CYS 36 -3.513 6.256 -2.664 216 HA CYS 36 HA CYS 36 -4.898 4.578 -1.806 217 1HB CYS 36 HB2 CYS 36 -6.231 5.169 -4.431 218 2HB CYS 36 HB1 CYS 36 -6.753 3.805 -3.463 219 H LYS 37 H LYS 37 -2.453 4.026 -3.554 220 HA LYS 37 HA LYS 37 -3.136 1.174 -4.161 221 1HB LYS 37 HB2 LYS 37 -1.017 2.829 -5.559 222 2HB LYS 37 HB1 LYS 37 -1.576 1.215 -6.000 223 1HG LYS 37 HG2 LYS 37 -3.718 3.234 -5.810 224 2HG LYS 37 HG1 LYS 37 -2.544 3.534 -7.093 225 1HD LYS 37 HD2 LYS 37 -3.878 0.849 -6.672 226 2HD LYS 37 HD1 LYS 37 -4.512 2.079 -7.766 227 1HE LYS 37 HE2 LYS 37 -1.676 1.696 -8.209 228 2HE LYS 37 HE1 LYS 37 -2.537 0.163 -8.351 229 1HZ LYS 37 HZ1 LYS 37 -3.270 0.809 -10.320 230 2HZ LYS 37 HZ2 LYS 37 -2.473 2.302 -10.165 231 3HZ LYS 37 HZ3 LYS 37 -4.068 2.125 -9.609 232 H PHE 38 H PHE 38 -1.775 -0.355 -3.274 233 HA PHE 38 HA PHE 38 -0.127 0.269 -1.066 234 1HB PHE 38 HB2 PHE 38 -0.311 -2.110 -2.903 235 2HB PHE 38 HB1 PHE 38 0.939 -2.047 -1.660 236 HD1 PHE 38 HD2 PHE 38 -0.281 -0.802 0.617 237 HD2 PHE 38 HD1 PHE 38 -2.032 -3.521 -2.208 238 HE1 PHE 38 HE2 PHE 38 -1.938 -1.510 2.321 239 HE2 PHE 38 HE1 PHE 38 -3.689 -4.226 -0.504 240 HZ PHE 38 HZ PHE 38 -3.642 -3.219 1.762 241 H SER 39 H SER 39 1.563 1.713 -1.300 242 HA SER 39 HA SER 39 3.089 2.293 -3.542 243 1HB SER 39 HB2 SER 39 3.300 3.403 -1.289 244 2HB SER 39 HB1 SER 39 4.245 2.018 -0.752 245 HG SER 39 HG SER 39 5.748 2.488 -2.373 246 H ARG 40 H ARG 40 5.400 1.593 -4.023 247 HA ARG 40 HA ARG 40 5.469 -1.336 -4.179 248 1HB ARG 40 HB2 ARG 40 7.555 0.674 -5.082 249 2HB ARG 40 HB1 ARG 40 7.432 -1.014 -5.578 250 1HG ARG 40 HG2 ARG 40 4.974 -0.258 -6.275 251 2HG ARG 40 HG1 ARG 40 5.749 1.323 -6.377 252 1HD ARG 40 HD2 ARG 40 6.742 -1.185 -7.761 253 2HD ARG 40 HD1 ARG 40 5.830 0.104 -8.545 254 HE ARG 40 HE ARG 40 7.858 1.561 -7.635 255 1HH1 ARG 40 1HH1 ARG 40 7.649 -1.057 -9.751 256 2HH1 ARG 40 2HH1 ARG 40 9.358 -1.228 -9.976 257 1HH2 ARG 40 1HH2 ARG 40 10.179 1.095 -7.536 258 2HH2 ARG 40 2HH2 ARG 40 10.791 -0.008 -8.723 259 H ALA 41 H ALA 41 6.973 -2.674 -3.128 260 HA ALA 41 HA ALA 41 7.791 -2.084 -0.527 261 1HB ALA 41 HB1 ALA 41 8.661 -4.175 -0.585 262 2HB ALA 41 HB2 ALA 41 9.748 -3.765 -1.912 263 3HB ALA 41 HB3 ALA 41 8.086 -4.247 -2.252 264 H GLY 42 H GLY 42 10.124 -1.849 0.249 265 1HA GLY 42 HA2 GLY 42 12.153 -0.654 0.257 266 2HA GLY 42 HA1 GLY 42 12.055 -0.600 -1.504 267 H LYS 43 H LYS 43 9.317 0.508 0.313 268 HA LYS 43 HA LYS 43 9.933 3.286 -0.602 269 1HB LYS 43 HB2 LYS 43 7.801 2.642 -1.392 270 2HB LYS 43 HB1 LYS 43 7.380 1.855 0.127 271 1HG LYS 43 HG2 LYS 43 6.182 3.975 -0.038 272 2HG LYS 43 HG1 LYS 43 7.388 4.086 1.245 273 1HD LYS 43 HD2 LYS 43 8.745 5.521 0.038 274 2HD LYS 43 HD1 LYS 43 8.191 4.902 -1.520 275 1HE LYS 43 HE2 LYS 43 6.153 6.245 0.184 276 2HE LYS 43 HE1 LYS 43 7.380 7.279 -0.546 277 1HZ LYS 43 HZ1 LYS 43 5.993 5.259 -2.178 278 2HZ LYS 43 HZ2 LYS 43 6.731 6.710 -2.664 279 3HZ LYS 43 HZ3 LYS 43 5.240 6.744 -1.851 280 H ILE 44 H ILE 44 10.853 4.553 0.912 281 HA ILE 44 HA ILE 44 11.177 4.015 3.625 282 HB ILE 44 HB ILE 44 12.305 5.845 2.337 283 1HG1 ILE 44 2HG1 ILE 44 12.446 7.387 4.229 284 2HG1 ILE 44 1HG1 ILE 44 10.929 6.767 4.881 285 1HG2 ILE 44 1HG2 ILE 44 11.211 7.833 1.786 286 2HG2 ILE 44 2HG2 ILE 44 9.932 7.576 2.971 287 3HG2 ILE 44 3HG2 ILE 44 9.953 6.636 1.479 288 1HD1 ILE 44 1HD1 ILE 44 13.105 4.797 4.331 289 2HD1 ILE 44 2HD1 ILE 44 11.882 4.793 5.603 290 3HD1 ILE 44 3HD1 ILE 44 13.288 5.849 5.734 291 H CYS 45 H CYS 45 9.468 3.406 4.899 292 HA CYS 45 HA CYS 45 6.987 5.061 4.843 293 1HB CYS 45 HB2 CYS 45 5.892 3.232 5.917 294 2HB CYS 45 HB1 CYS 45 6.869 2.531 4.648 295 H ARG 46 H ARG 46 9.853 4.661 6.609 296 HA ARG 46 HA ARG 46 8.911 6.530 8.655 297 1HB ARG 46 HB2 ARG 46 9.184 3.640 9.205 298 2HB ARG 46 HB1 ARG 46 10.032 4.685 10.343 299 1HG ARG 46 HG2 ARG 46 8.013 5.893 10.863 300 2HG ARG 46 HG1 ARG 46 7.135 5.097 9.556 301 1HD ARG 46 HD2 ARG 46 6.542 3.458 10.978 302 2HD ARG 46 HD1 ARG 46 8.243 3.045 11.182 303 HE ARG 46 HE ARG 46 8.199 4.909 12.992 304 1HH1 ARG 46 1HH2 ARG 46 5.972 2.395 12.406 305 2HH1 ARG 46 2HH2 ARG 46 4.978 2.752 13.781 306 1HH2 ARG 46 1HH1 ARG 46 6.723 5.624 14.632 307 2HH2 ARG 46 2HH1 ARG 46 5.403 4.578 15.040 308 H ILE 47 H ILE 47 10.903 6.743 10.332 309 HA ILE 47 HA ILE 47 13.422 6.532 8.741 310 HB ILE 47 HB ILE 47 12.253 8.888 8.940 311 1HG1 ILE 47 2HG1 ILE 47 15.163 8.757 9.721 312 2HG1 ILE 47 1HG1 ILE 47 14.621 8.234 8.126 313 1HG2 ILE 47 1HG2 ILE 47 13.862 8.944 11.492 314 2HG2 ILE 47 2HG2 ILE 47 12.146 8.540 11.513 315 3HG2 ILE 47 3HG2 ILE 47 12.673 10.113 10.915 316 1HD1 ILE 47 1HD1 ILE 47 14.547 10.370 7.440 317 2HD1 ILE 47 2HD1 ILE 47 15.111 10.894 9.027 318 3HD1 ILE 47 3HD1 ILE 47 13.383 10.744 8.709 319 HA PRO 48 HA PRO 48 14.927 4.770 12.497 320 1HB PRO 48 HB2 PRO 48 17.596 4.807 11.839 321 2HB PRO 48 HB1 PRO 48 16.444 3.630 11.186 322 1HG PRO 48 HG2 PRO 48 17.680 5.988 9.846 323 2HG PRO 48 HG1 PRO 48 17.056 4.491 9.133 324 1HD PRO 48 HD2 PRO 48 15.733 6.994 9.175 325 2HD PRO 48 HD1 PRO 48 15.002 5.434 8.747 326 H ARG 49 H ARG 49 16.541 5.355 14.261 327 HA ARG 49 HA ARG 49 16.947 8.316 14.364 328 1HB ARG 49 HB2 ARG 49 16.415 6.426 16.675 329 2HB ARG 49 HB1 ARG 49 16.602 8.179 16.784 330 1HG ARG 49 HG2 ARG 49 14.556 7.123 14.882 331 2HG ARG 49 HG1 ARG 49 14.189 7.040 16.605 332 1HD ARG 49 HD2 ARG 49 15.338 9.615 15.778 333 2HD ARG 49 HD1 ARG 49 13.790 9.256 15.014 334 HE ARG 49 HE ARG 49 12.758 9.236 17.197 335 1HH1 ARG 49 1HH2 ARG 49 15.351 11.242 17.025 336 2HH1 ARG 49 2HH2 ARG 49 15.733 11.239 18.715 337 1HH2 ARG 49 1HH1 ARG 49 13.591 8.618 19.468 338 2HH2 ARG 49 2HH1 ARG 49 14.739 9.752 20.096 339 H GLY 50 H GLY 50 18.770 5.956 13.554 340 1HA GLY 50 HA1 GLY 50 21.251 6.639 13.870 341 2HA GLY 50 HA2 GLY 50 20.912 6.418 15.586 342 H ASP 51 H ASP 51 20.517 4.261 16.360 343 HA ASP 51 HA ASP 51 22.025 2.232 14.927 344 1HB ASP 51 HB2 ASP 51 21.470 0.790 16.836 345 2HB ASP 51 HB1 ASP 51 22.005 2.373 17.401 346 H MET 52 H MET 52 18.980 3.349 14.377 347 HA MET 52 HA MET 52 17.862 0.655 13.766 348 1HB MET 52 HB2 MET 52 16.693 3.336 14.328 349 2HB MET 52 HB1 MET 52 15.834 2.323 13.167 350 1HG MET 52 HG2 MET 52 16.749 0.999 15.668 351 2HG MET 52 HG1 MET 52 15.417 2.143 15.821 352 1HE MET 52 HE1 MET 52 13.163 1.668 15.491 353 2HE MET 52 HE2 MET 52 12.465 0.679 14.210 354 3HE MET 52 HE3 MET 52 13.433 2.092 13.794 355 HA PRO 53 HA PRO 53 18.609 1.360 9.474 356 1HB PRO 53 HB2 PRO 53 16.949 -0.603 8.509 357 2HB PRO 53 HB1 PRO 53 18.519 -0.938 9.259 358 1HG PRO 53 HG2 PRO 53 15.789 -1.360 10.368 359 2HG PRO 53 HG1 PRO 53 17.304 -2.177 10.781 360 1HD PRO 53 HD2 PRO 53 16.043 -0.112 12.277 361 2HD PRO 53 HD1 PRO 53 17.677 -0.758 12.538 362 H ASP 54 H ASP 54 17.311 1.834 7.425 363 HA ASP 54 HA ASP 54 15.164 3.708 8.007 364 1HB ASP 54 HB2 ASP 54 16.121 2.585 5.352 365 2HB ASP 54 HB1 ASP 54 15.053 3.974 5.553 366 H ASP 55 H ASP 55 12.938 3.430 7.599 367 HA ASP 55 HA ASP 55 12.060 0.606 7.409 368 1HB ASP 55 HB2 ASP 55 10.426 3.112 7.913 369 2HB ASP 55 HB1 ASP 55 9.876 1.447 8.111 370 H ARG 56 H ARG 56 11.547 -0.185 5.424 371 HA ARG 56 HA ARG 56 10.510 1.738 3.382 372 1HB ARG 56 HB2 ARG 56 12.027 -0.827 2.878 373 2HB ARG 56 HB1 ARG 56 11.533 0.363 1.675 374 1HG ARG 56 HG2 ARG 56 12.941 1.826 3.615 375 2HG ARG 56 HG1 ARG 56 13.884 0.356 3.371 376 1HD ARG 56 HD2 ARG 56 13.475 0.840 0.826 377 2HD ARG 56 HD1 ARG 56 13.150 2.482 1.378 378 HE ARG 56 HE ARG 56 15.723 1.099 2.021 379 1HH1 ARG 56 1HH1 ARG 56 15.255 3.780 3.205 380 2HH1 ARG 56 2HH1 ARG 56 15.989 4.838 2.047 381 1HH2 ARG 56 1HH2 ARG 56 16.075 2.455 -0.472 382 2HH2 ARG 56 2HH2 ARG 56 16.455 4.088 -0.034 383 H CYS 57 H CYS 57 8.546 1.272 2.500 384 HA CYS 57 HA CYS 57 6.796 -0.633 3.612 385 1HB CYS 57 HB2 CYS 57 6.646 0.279 0.734 386 2HB CYS 57 HB1 CYS 57 5.317 -0.161 1.802 387 H THR 58 H THR 58 5.987 -2.633 2.697 388 HA THR 58 HA THR 58 8.143 -4.220 1.453 389 HB THR 58 HB THR 58 7.053 -6.104 2.293 390 HG1 THR 58 HG1 THR 58 4.620 -4.852 2.764 391 1HG2 THR 58 1HG2 THR 58 5.912 -4.019 4.155 392 2HG2 THR 58 2HG2 THR 58 7.642 -4.349 4.078 393 3HG2 THR 58 3HG2 THR 58 6.522 -5.625 4.557 394 H GLY 59 H GLY 59 5.657 -2.343 0.339 395 1HA GLY 59 HA2 GLY 59 5.121 -2.169 -2.007 396 2HA GLY 59 HA1 GLY 59 5.601 -3.852 -2.215 397 H GLN 60 H GLN 60 3.951 -4.289 0.414 398 HA GLN 60 HA GLN 60 1.272 -4.287 -0.915 399 1HB GLN 60 HB2 GLN 60 2.618 -6.471 0.688 400 2HB GLN 60 HB1 GLN 60 0.880 -6.449 0.387 401 1HG GLN 60 HG2 GLN 60 2.795 -6.139 -1.910 402 2HG GLN 60 HG1 GLN 60 2.446 -7.746 -1.268 403 1HE2 GLN 60 1HE2 GLN 60 1.554 -6.047 -3.813 404 2HE2 GLN 60 2HE2 GLN 60 -0.110 -6.372 -3.889 405 H SER 61 H SER 61 3.134 -3.441 1.834 406 HA SER 61 HA SER 61 0.828 -3.426 3.672 407 1HB SER 61 HB2 SER 61 3.689 -2.481 3.967 408 2HB SER 61 HB1 SER 61 2.484 -2.349 5.243 409 HG SER 61 HG SER 61 3.010 -4.792 3.925 410 H ALA 62 H ALA 62 -0.430 -1.645 4.104 411 HA ALA 62 HA ALA 62 -0.036 0.744 2.433 412 1HB ALA 62 HB1 ALA 62 -2.220 -0.428 4.017 413 2HB ALA 62 HB2 ALA 62 -2.296 0.570 2.565 414 3HB ALA 62 HB3 ALA 62 -2.120 1.328 4.147 415 H ASP 63 H ASP 63 -0.185 0.002 5.925 416 HA ASP 63 HA ASP 63 0.714 2.709 6.605 417 1HB ASP 63 HB2 ASP 63 0.616 0.347 8.485 418 2HB ASP 63 HB1 ASP 63 0.435 2.060 8.869 419 H CYS 64 H CYS 64 2.615 2.494 8.475 420 HA CYS 64 HA CYS 64 4.885 1.268 6.987 421 1HB CYS 64 HB2 CYS 64 5.176 3.638 7.438 422 2HB CYS 64 HB1 CYS 64 4.798 3.404 9.127 423 HA PRO 65 HA PRO 65 4.629 -1.772 10.246 424 1HB PRO 65 HB2 PRO 65 6.141 -3.584 8.861 425 2HB PRO 65 HB1 PRO 65 4.402 -3.389 8.626 426 1HG PRO 65 HG2 PRO 65 6.663 -2.551 6.882 427 2HG PRO 65 HG1 PRO 65 4.983 -2.907 6.447 428 1HD PRO 65 HD2 PRO 65 6.113 -0.335 6.727 429 2HD PRO 65 HD1 PRO 65 4.380 -0.713 6.621 430 H ARG 66 H ARG 66 6.500 -3.187 11.238 431 HA ARG 66 HA ARG 66 9.094 -1.721 11.165 432 1HB ARG 66 HB2 ARG 66 9.230 -1.735 13.594 433 2HB ARG 66 HB1 ARG 66 7.720 -0.951 13.125 434 1HG ARG 66 HG2 ARG 66 6.505 -3.068 13.492 435 2HG ARG 66 HG1 ARG 66 8.014 -3.851 13.964 436 1HD ARG 66 HD2 ARG 66 7.079 -3.247 16.032 437 2HD ARG 66 HD1 ARG 66 8.195 -1.921 15.707 438 HE ARG 66 HE ARG 66 6.209 -0.607 14.925 439 1HH1 ARG 66 1HH1 ARG 66 6.106 -1.924 17.852 440 2HH1 ARG 66 2HH1 ARG 66 4.394 -2.161 17.958 441 1HH2 ARG 66 1HH2 ARG 66 3.838 -1.577 14.586 442 2HH2 ARG 66 2HH2 ARG 66 3.109 -1.964 16.109 443 H TYR 67 H TYR 67 10.901 -3.069 11.943 444 HA TYR 67 HA TYR 67 10.259 -5.990 11.794 445 1HB TYR 67 HB2 TYR 67 12.945 -4.880 11.031 446 2HB TYR 67 HB1 TYR 67 12.166 -6.370 10.497 447 HD1 TYR 67 HD1 TYR 67 9.639 -5.763 9.470 448 HD2 TYR 67 HD2 TYR 67 13.159 -3.305 9.337 449 HE1 TYR 67 HE1 TYR 67 8.735 -4.577 7.488 450 HE2 TYR 67 HE2 TYR 67 12.255 -2.119 7.355 451 HH TYR 67 HH TYR 67 9.110 -2.192 6.449 452 H HIS 68 H HIS 68 10.158 -4.853 14.277 453 HA HIS 68 HA HIS 68 12.570 -6.021 15.552 454 1HB HIS 68 HB2 HIS 68 11.507 -3.243 16.155 455 2HB HIS 68 HB1 HIS 68 12.751 -4.073 17.089 456 HD1 HIS 68 HD1 HIS 68 15.100 -4.293 16.039 457 HD2 HIS 68 HD2 HIS 68 12.360 -2.356 13.566 458 HE1 HIS 68 HE1 HIS 68 16.439 -3.271 14.147 Start of MODEL 5 1 1H GLY 1 HT1 GLY 1 -12.607 -10.206 9.886 2 2H GLY 1 HT2 GLY 1 -12.535 -11.565 10.905 3 3H GLY 1 HT3 GLY 1 -11.264 -11.240 9.825 4 1HA GLY 1 HA1 GLY 1 -11.939 -9.917 12.360 5 2HA GLY 1 HA2 GLY 1 -10.370 -10.468 11.772 6 H LYS 2 H LYS 2 -10.882 -9.277 9.079 7 HA LYS 2 HA LYS 2 -10.203 -6.475 9.824 8 1HB LYS 2 HB2 LYS 2 -8.910 -8.193 8.146 9 2HB LYS 2 HB1 LYS 2 -9.945 -7.335 7.002 10 1HG LYS 2 HG2 LYS 2 -8.792 -5.394 7.230 11 2HG LYS 2 HG1 LYS 2 -8.645 -5.583 8.977 12 1HD LYS 2 HD2 LYS 2 -7.066 -7.417 7.218 13 2HD LYS 2 HD1 LYS 2 -6.507 -5.755 7.412 14 1HE LYS 2 HE2 LYS 2 -5.491 -6.542 9.287 15 2HE LYS 2 HE1 LYS 2 -7.099 -6.436 10.001 16 1HZ LYS 2 HZ1 LYS 2 -6.548 -8.843 8.476 17 2HZ LYS 2 HZ2 LYS 2 -7.370 -8.651 9.951 18 3HZ LYS 2 HZ3 LYS 2 -5.672 -8.676 9.919 19 H GLU 3 H GLU 3 -12.192 -5.438 10.010 20 HA GLU 3 HA GLU 3 -14.061 -5.669 7.687 21 1HB GLU 3 HB2 GLU 3 -14.538 -4.739 10.535 22 2HB GLU 3 HB1 GLU 3 -15.753 -4.702 9.259 23 1HG GLU 3 HG2 GLU 3 -15.441 -7.172 8.965 24 2HG GLU 3 HG1 GLU 3 -14.364 -7.158 10.363 25 H CYS 4 H CYS 4 -11.765 -3.637 9.123 26 HA CYS 4 HA CYS 4 -12.898 -1.329 7.606 27 1HB CYS 4 HB2 CYS 4 -13.090 -0.936 10.037 28 2HB CYS 4 HB1 CYS 4 -11.356 -1.211 10.215 29 H ASP 5 H ASP 5 -11.510 -0.475 6.125 30 HA ASP 5 HA ASP 5 -8.680 -1.432 6.196 31 1HB ASP 5 HB2 ASP 5 -10.345 -1.967 4.222 32 2HB ASP 5 HB1 ASP 5 -9.980 -0.312 3.729 33 H CYS 6 H CYS 6 -10.488 1.231 6.914 34 HA CYS 6 HA CYS 6 -8.150 3.010 6.500 35 1HB CYS 6 HB2 CYS 6 -9.559 4.804 5.592 36 2HB CYS 6 HB1 CYS 6 -9.651 3.379 4.557 37 H SER 7 H SER 7 -7.825 4.276 8.294 38 HA SER 7 HA SER 7 -9.629 3.938 10.564 39 1HB SER 7 HB2 SER 7 -7.245 5.792 10.348 40 2HB SER 7 HB1 SER 7 -7.985 5.170 11.821 41 HG SER 7 HG SER 7 -7.196 3.181 11.382 42 H SER 8 H SER 8 -10.056 5.772 7.931 43 HA SER 8 HA SER 8 -11.171 8.055 9.512 44 1HB SER 8 HB2 SER 8 -10.967 8.810 6.797 45 2HB SER 8 HB1 SER 8 -10.006 9.406 8.149 46 HG SER 8 HG SER 8 -8.598 8.518 6.691 47 HA PRO 9 HA PRO 9 -14.954 6.313 7.846 48 1HB PRO 9 HB2 PRO 9 -16.618 7.884 9.369 49 2HB PRO 9 HB1 PRO 9 -15.834 6.415 9.976 50 1HG PRO 9 HG2 PRO 9 -15.177 9.267 10.546 51 2HG PRO 9 HG1 PRO 9 -14.882 7.828 11.536 52 1HD PRO 9 HD2 PRO 9 -12.957 9.178 9.957 53 2HD PRO 9 HD1 PRO 9 -12.768 7.571 10.690 54 H GLU 10 H GLU 10 -13.640 9.411 7.534 55 HA GLU 10 HA GLU 10 -15.904 10.374 5.847 56 1HB GLU 10 HB2 GLU 10 -14.762 11.799 7.734 57 2HB GLU 10 HB1 GLU 10 -13.483 12.024 6.540 58 1HG GLU 10 HG2 GLU 10 -14.847 13.225 5.098 59 2HG GLU 10 HG1 GLU 10 -16.323 12.463 5.694 60 H ASN 11 H ASN 11 -13.283 8.521 5.476 61 HA ASN 11 HA ASN 11 -12.021 9.810 3.183 62 1HB ASN 11 HB2 ASN 11 -11.194 7.939 4.962 63 2HB ASN 11 HB1 ASN 11 -11.678 6.899 3.626 64 1HD2 ASN 11 1HD2 ASN 11 -9.421 6.376 3.131 65 2HD2 ASN 11 2HD2 ASN 11 -8.399 7.516 2.401 66 HA PRO 12 HA PRO 12 -15.116 8.205 0.400 67 1HB PRO 12 HB2 PRO 12 -13.995 9.261 -1.877 68 2HB PRO 12 HB1 PRO 12 -14.963 10.206 -0.732 69 1HG PRO 12 HG2 PRO 12 -12.010 10.213 -1.145 70 2HG PRO 12 HG1 PRO 12 -13.059 11.496 -0.522 71 1HD PRO 12 HD2 PRO 12 -11.411 9.794 1.032 72 2HD PRO 12 HD1 PRO 12 -12.695 10.857 1.649 73 H CYS 13 H CYS 13 -11.743 7.476 0.415 74 HA CYS 13 HA CYS 13 -11.776 5.664 -1.871 75 1HB CYS 13 HB2 CYS 13 -9.829 6.600 0.127 76 2HB CYS 13 HB1 CYS 13 -9.618 4.909 -0.328 77 H CYS 14 H CYS 14 -13.000 5.482 1.272 78 HA CYS 14 HA CYS 14 -13.238 2.530 1.013 79 1HB CYS 14 HB2 CYS 14 -12.618 2.197 3.356 80 2HB CYS 14 HB1 CYS 14 -11.308 3.021 2.514 81 H ASP 15 H ASP 15 -15.259 1.813 1.561 82 HA ASP 15 HA ASP 15 -17.415 3.617 1.990 83 1HB ASP 15 HB2 ASP 15 -17.603 1.232 1.152 84 2HB ASP 15 HB1 ASP 15 -17.351 0.701 2.812 85 H ALA 16 H ALA 16 -17.971 4.701 3.811 86 HA ALA 16 HA ALA 16 -16.577 4.245 6.312 87 1HB ALA 16 HB1 ALA 16 -18.975 5.808 6.653 88 2HB ALA 16 HB2 ALA 16 -18.154 6.307 5.174 89 3HB ALA 16 HB3 ALA 16 -17.296 6.341 6.714 90 H ALA 17 H ALA 17 -19.703 3.319 4.979 91 HA ALA 17 HA ALA 17 -20.984 2.511 7.388 92 1HB ALA 17 HB1 ALA 17 -22.196 2.623 5.264 93 2HB ALA 17 HB2 ALA 17 -22.311 0.992 5.923 94 3HB ALA 17 HB3 ALA 17 -21.197 1.331 4.600 95 H THR 18 H THR 18 -18.805 0.731 5.200 96 HA THR 18 HA THR 18 -18.718 -1.490 7.179 97 HB THR 18 HB THR 18 -17.991 -2.881 5.450 98 HG1 THR 18 HG1 THR 18 -17.090 -0.501 4.208 99 1HG2 THR 18 1HG2 THR 18 -19.473 -0.747 3.899 100 2HG2 THR 18 2HG2 THR 18 -20.264 -1.877 4.998 101 3HG2 THR 18 3HG2 THR 18 -19.431 -2.478 3.565 102 H CYS 19 H CYS 19 -16.913 1.204 6.012 103 HA CYS 19 HA CYS 19 -14.908 2.101 6.884 104 1HB CYS 19 HB2 CYS 19 -15.684 0.573 8.936 105 2HB CYS 19 HB1 CYS 19 -14.303 -0.392 8.420 106 H LYS 20 H LYS 20 -15.269 -0.086 4.659 107 HA LYS 20 HA LYS 20 -12.360 -0.792 4.503 108 1HB LYS 20 HB2 LYS 20 -14.770 -2.208 3.334 109 2HB LYS 20 HB1 LYS 20 -13.098 -2.621 2.948 110 1HG LYS 20 HG2 LYS 20 -13.386 -2.442 5.805 111 2HG LYS 20 HG1 LYS 20 -14.628 -3.520 5.163 112 1HD LYS 20 HD2 LYS 20 -11.673 -3.710 4.508 113 2HD LYS 20 HD1 LYS 20 -12.507 -4.721 5.688 114 1HE LYS 20 HE2 LYS 20 -13.632 -4.541 2.919 115 2HE LYS 20 HE1 LYS 20 -12.202 -5.540 3.182 116 1HZ LYS 20 HZ1 LYS 20 -14.637 -5.756 4.856 117 2HZ LYS 20 HZ2 LYS 20 -13.335 -6.843 4.757 118 3HZ LYS 20 HZ3 LYS 20 -14.409 -6.681 3.452 119 H LEU 21 H LEU 21 -11.627 -1.037 2.124 120 HA LEU 21 HA LEU 21 -11.744 1.434 0.807 121 1HB LEU 21 HB2 LEU 21 -11.003 -1.336 -0.011 122 2HB LEU 21 HB1 LEU 21 -11.226 -0.143 -1.292 123 HG LEU 21 HG LEU 21 -9.695 0.923 0.957 124 1HD1 LEU 21 1HD1 LEU 21 -9.130 -1.767 0.223 125 2HD1 LEU 21 2HD1 LEU 21 -8.191 -0.714 1.280 126 3HD1 LEU 21 3HD1 LEU 21 -7.847 -0.761 -0.449 127 1HD2 LEU 21 1HD2 LEU 21 -8.676 0.551 -1.840 128 2HD2 LEU 21 2HD2 LEU 21 -8.485 1.931 -0.759 129 3HD2 LEU 21 3HD2 LEU 21 -10.027 1.650 -1.565 130 H ARG 22 H ARG 22 -12.524 1.278 -1.758 131 HA ARG 22 HA ARG 22 -15.243 0.167 -1.930 132 1HB ARG 22 HB2 ARG 22 -14.719 2.993 -1.361 133 2HB ARG 22 HB1 ARG 22 -15.743 2.746 -2.776 134 1HG ARG 22 HG2 ARG 22 -17.214 1.269 -1.435 135 2HG ARG 22 HG1 ARG 22 -16.206 1.573 -0.020 136 1HD ARG 22 HD2 ARG 22 -16.918 3.769 0.190 137 2HD ARG 22 HD1 ARG 22 -17.289 3.921 -1.526 138 HE ARG 22 HE ARG 22 -19.115 2.988 0.526 139 1HH1 ARG 22 1HH2 ARG 22 -18.925 4.012 -2.609 140 2HH1 ARG 22 2HH2 ARG 22 -20.148 2.960 -3.240 141 1HH2 ARG 22 1HH1 ARG 22 -20.373 1.058 -0.349 142 2HH2 ARG 22 2HH1 ARG 22 -20.967 1.286 -1.960 143 HA PRO 23 HA PRO 23 -14.131 1.814 -6.239 144 1HB PRO 23 HB2 PRO 23 -12.022 3.556 -6.508 145 2HB PRO 23 HB1 PRO 23 -13.691 4.075 -6.216 146 1HG PRO 23 HG2 PRO 23 -11.390 3.975 -4.309 147 2HG PRO 23 HG1 PRO 23 -12.788 5.065 -4.326 148 1HD PRO 23 HD2 PRO 23 -12.491 2.854 -2.628 149 2HD PRO 23 HD1 PRO 23 -14.019 3.680 -2.988 150 H GLY 24 H GLY 24 -12.003 1.729 -7.807 151 1HA GLY 24 HA2 GLY 24 -10.706 -0.777 -7.181 152 2HA GLY 24 HA1 GLY 24 -10.333 0.254 -8.562 153 H ALA 25 H ALA 25 -10.055 0.500 -4.998 154 HA ALA 25 HA ALA 25 -7.301 1.585 -5.425 155 1HB ALA 25 HB1 ALA 25 -9.534 2.414 -3.697 156 2HB ALA 25 HB2 ALA 25 -8.141 3.342 -4.253 157 3HB ALA 25 HB3 ALA 25 -7.992 2.284 -2.849 158 H GLN 26 H GLN 26 -5.635 0.761 -4.076 159 HA GLN 26 HA GLN 26 -6.188 -1.930 -3.005 160 1HB GLN 26 HB2 GLN 26 -3.875 -0.502 -4.026 161 2HB GLN 26 HB1 GLN 26 -3.513 -1.254 -2.471 162 1HG GLN 26 HG2 GLN 26 -3.088 -3.055 -3.851 163 2HG GLN 26 HG1 GLN 26 -4.813 -3.306 -3.585 164 1HE2 GLN 26 1HE2 GLN 26 -2.412 -2.662 -5.996 165 2HE2 GLN 26 2HE2 GLN 26 -3.475 -2.431 -7.300 166 H CYS 27 H CYS 27 -5.240 1.276 -1.843 167 HA CYS 27 HA CYS 27 -5.846 0.321 0.915 168 1HB CYS 27 HB2 CYS 27 -3.718 0.676 1.566 169 2HB CYS 27 HB1 CYS 27 -3.283 1.148 -0.067 170 H GLY 28 H GLY 28 -6.848 1.897 2.245 171 1HA GLY 28 HA2 GLY 28 -8.062 4.137 0.728 172 2HA GLY 28 HA1 GLY 28 -8.632 3.526 2.279 173 H GLU 29 H GLU 29 -5.655 3.486 3.091 174 HA GLU 29 HA GLU 29 -4.846 6.267 3.119 175 1HB GLU 29 HB2 GLU 29 -5.200 6.648 5.527 176 2HB GLU 29 HB1 GLU 29 -6.730 6.388 4.700 177 1HG GLU 29 HG2 GLU 29 -7.175 4.628 6.022 178 2HG GLU 29 HG1 GLU 29 -5.681 3.844 5.510 179 H GLY 30 H GLY 30 -2.759 6.512 4.078 180 1HA GLY 30 HA2 GLY 30 -1.329 4.884 5.759 181 2HA GLY 30 HA1 GLY 30 -1.225 4.021 4.227 182 H LEU 31 H LEU 31 1.170 4.822 5.097 183 HA LEU 31 HA LEU 31 1.704 7.483 3.912 184 1HB LEU 31 HB2 LEU 31 3.579 7.583 5.220 185 2HB LEU 31 HB1 LEU 31 2.621 6.503 6.206 186 HG LEU 31 HG LEU 31 4.490 5.422 4.115 187 1HD1 LEU 31 1HD1 LEU 31 6.089 6.587 5.274 188 2HD1 LEU 31 2HD1 LEU 31 5.923 5.248 6.395 189 3HD1 LEU 31 3HD1 LEU 31 5.078 6.752 6.705 190 1HD2 LEU 31 1HD2 LEU 31 3.525 4.368 6.794 191 2HD2 LEU 31 2HD2 LEU 31 4.403 3.463 5.565 192 3HD2 LEU 31 3HD2 LEU 31 2.757 3.986 5.258 193 H CYS 32 H CYS 32 2.252 4.072 3.456 194 HA CYS 32 HA CYS 32 3.870 4.603 1.023 195 1HB CYS 32 HB2 CYS 32 3.060 1.933 2.194 196 2HB CYS 32 HB1 CYS 32 4.322 2.237 1.000 197 H CYS 33 H CYS 33 1.220 5.512 0.968 198 HA CYS 33 HA CYS 33 -0.103 3.532 -0.841 199 1HB CYS 33 HB2 CYS 33 -1.216 5.588 1.065 200 2HB CYS 33 HB1 CYS 33 -2.194 4.936 -0.247 201 H GLU 34 H GLU 34 0.057 4.138 -2.937 202 HA GLU 34 HA GLU 34 0.448 7.010 -3.583 203 1HB GLU 34 HB2 GLU 34 1.053 4.427 -4.918 204 2HB GLU 34 HB1 GLU 34 0.577 5.750 -5.983 205 1HG GLU 34 HG2 GLU 34 2.568 6.338 -3.835 206 2HG GLU 34 HG1 GLU 34 3.116 5.424 -5.241 207 H GLN 35 H GLN 35 -1.652 7.855 -3.374 208 HA GLN 35 HA GLN 35 -3.825 8.364 -4.101 209 1HB GLN 35 HB2 GLN 35 -3.094 6.621 -6.476 210 2HB GLN 35 HB1 GLN 35 -4.415 7.789 -6.403 211 1HG GLN 35 HG2 GLN 35 -2.074 9.171 -5.603 212 2HG GLN 35 HG1 GLN 35 -1.646 8.249 -7.045 213 1HE2 GLN 35 1HE2 GLN 35 -2.575 11.258 -6.322 214 2HE2 GLN 35 2HE2 GLN 35 -3.594 11.612 -7.633 215 H CYS 36 H CYS 36 -3.799 6.497 -2.192 216 HA CYS 36 HA CYS 36 -5.075 4.759 -1.272 217 1HB CYS 36 HB2 CYS 36 -6.668 5.277 -3.797 218 2HB CYS 36 HB1 CYS 36 -7.178 4.151 -2.539 219 H LYS 37 H LYS 37 -2.833 4.295 -3.299 220 HA LYS 37 HA LYS 37 -3.586 1.472 -3.946 221 1HB LYS 37 HB2 LYS 37 -3.239 3.240 -5.885 222 2HB LYS 37 HB1 LYS 37 -1.531 2.936 -5.564 223 1HG LYS 37 HG2 LYS 37 -1.627 0.961 -6.637 224 2HG LYS 37 HG1 LYS 37 -2.978 0.438 -5.631 225 1HD LYS 37 HD2 LYS 37 -4.557 1.089 -7.166 226 2HD LYS 37 HD1 LYS 37 -3.583 2.438 -7.750 227 1HE LYS 37 HE2 LYS 37 -2.414 -0.217 -8.269 228 2HE LYS 37 HE1 LYS 37 -3.933 0.085 -9.111 229 1HZ LYS 37 HZ1 LYS 37 -1.450 0.984 -9.847 230 2HZ LYS 37 HZ2 LYS 37 -2.215 2.355 -9.195 231 3HZ LYS 37 HZ3 LYS 37 -2.937 1.502 -10.476 232 H PHE 38 H PHE 38 -2.056 -0.082 -3.387 233 HA PHE 38 HA PHE 38 -0.123 0.547 -1.386 234 1HB PHE 38 HB2 PHE 38 -0.383 -1.872 -3.195 235 2HB PHE 38 HB1 PHE 38 0.742 -1.776 -1.841 236 HD1 PHE 38 HD1 PHE 38 -0.918 -0.231 0.113 237 HD2 PHE 38 HD2 PHE 38 -1.932 -3.511 -2.468 238 HE1 PHE 38 HE1 PHE 38 -2.727 -0.901 1.672 239 HE2 PHE 38 HE2 PHE 38 -3.744 -4.177 -0.911 240 HZ PHE 38 HZ PHE 38 -4.142 -2.872 1.158 241 H SER 39 H SER 39 1.740 1.665 -1.711 242 HA SER 39 HA SER 39 2.867 2.192 -4.283 243 1HB SER 39 HB2 SER 39 4.291 2.245 -1.607 244 2HB SER 39 HB1 SER 39 4.772 3.100 -3.069 245 HG SER 39 HG SER 39 2.175 3.496 -2.149 246 H ARG 40 H ARG 40 5.695 1.510 -3.424 247 HA ARG 40 HA ARG 40 5.552 -1.425 -3.993 248 1HB ARG 40 HB2 ARG 40 7.476 0.661 -5.047 249 2HB ARG 40 HB1 ARG 40 7.768 -1.073 -5.179 250 1HG ARG 40 HG2 ARG 40 6.628 -0.886 -7.140 251 2HG ARG 40 HG1 ARG 40 5.201 -0.899 -6.104 252 1HD ARG 40 HD2 ARG 40 4.988 1.452 -6.165 253 2HD ARG 40 HD1 ARG 40 6.644 1.675 -6.725 254 HE ARG 40 HE ARG 40 4.464 0.549 -8.439 255 1HH1 ARG 40 1HH2 ARG 40 5.395 3.460 -8.599 256 2HH1 ARG 40 2HH2 ARG 40 6.475 3.386 -9.953 257 1HH2 ARG 40 1HH1 ARG 40 6.720 -0.072 -9.905 258 2HH2 ARG 40 2HH1 ARG 40 7.220 1.386 -10.694 259 H ALA 41 H ALA 41 7.008 -2.731 -2.859 260 HA ALA 41 HA ALA 41 7.775 -2.046 -0.265 261 1HB ALA 41 HB1 ALA 41 9.553 -3.892 -1.820 262 2HB ALA 41 HB2 ALA 41 7.865 -4.347 -1.593 263 3HB ALA 41 HB3 ALA 41 8.901 -4.078 -0.192 264 H GLY 42 H GLY 42 10.181 -1.945 0.487 265 1HA GLY 42 HA2 GLY 42 12.239 -0.794 0.440 266 2HA GLY 42 HA1 GLY 42 12.089 -0.730 -1.318 267 H LYS 43 H LYS 43 9.394 0.387 0.524 268 HA LYS 43 HA LYS 43 9.974 3.154 -0.407 269 1HB LYS 43 HB2 LYS 43 7.795 2.507 -1.041 270 2HB LYS 43 HB1 LYS 43 7.480 1.729 0.506 271 1HG LYS 43 HG2 LYS 43 6.276 3.868 0.370 272 2HG LYS 43 HG1 LYS 43 7.522 3.947 1.616 273 1HD LYS 43 HD2 LYS 43 8.430 5.719 0.574 274 2HD LYS 43 HD1 LYS 43 8.741 4.708 -0.839 275 1HE LYS 43 HE2 LYS 43 6.824 5.402 -1.933 276 2HE LYS 43 HE1 LYS 43 5.963 5.740 -0.432 277 1HZ LYS 43 HZ1 LYS 43 8.276 7.330 -1.390 278 2HZ LYS 43 HZ2 LYS 43 7.229 7.703 -0.104 279 3HZ LYS 43 HZ3 LYS 43 6.662 7.743 -1.707 280 H ILE 44 H ILE 44 11.061 4.379 1.024 281 HA ILE 44 HA ILE 44 11.475 3.879 3.747 282 HB ILE 44 HB ILE 44 12.774 5.541 2.514 283 1HG1 ILE 44 2HG1 ILE 44 12.735 7.361 4.196 284 2HG1 ILE 44 1HG1 ILE 44 11.182 6.770 4.788 285 1HG2 ILE 44 1HG2 ILE 44 10.775 7.679 2.655 286 2HG2 ILE 44 2HG2 ILE 44 10.303 6.373 1.569 287 3HG2 ILE 44 3HG2 ILE 44 11.830 7.217 1.320 288 1HD1 ILE 44 1HD1 ILE 44 12.186 4.646 5.434 289 2HD1 ILE 44 2HD1 ILE 44 13.108 5.961 6.160 290 3HD1 ILE 44 3HD1 ILE 44 13.731 5.130 4.735 291 H CYS 45 H CYS 45 9.570 3.307 4.866 292 HA CYS 45 HA CYS 45 7.333 5.260 4.935 293 1HB CYS 45 HB2 CYS 45 6.087 3.575 6.017 294 2HB CYS 45 HB1 CYS 45 7.003 2.716 4.813 295 H ARG 46 H ARG 46 10.128 4.305 6.753 296 HA ARG 46 HA ARG 46 9.575 6.440 8.702 297 1HB ARG 46 HB2 ARG 46 9.174 3.630 9.331 298 2HB ARG 46 HB1 ARG 46 10.419 4.341 10.354 299 1HG ARG 46 HG2 ARG 46 8.797 6.278 10.748 300 2HG ARG 46 HG1 ARG 46 7.560 5.261 10.009 301 1HD ARG 46 HD2 ARG 46 7.492 3.813 11.786 302 2HD ARG 46 HD1 ARG 46 9.212 3.994 12.132 303 HE ARG 46 HE ARG 46 7.170 6.046 12.898 304 1HH1 ARG 46 1HH2 ARG 46 8.681 3.701 14.505 305 2HH1 ARG 46 2HH2 ARG 46 9.686 4.697 15.504 306 1HH2 ARG 46 1HH1 ARG 46 9.074 7.592 13.698 307 2HH2 ARG 46 2HH1 ARG 46 9.907 6.899 15.048 308 H ILE 47 H ILE 47 11.490 7.231 9.633 309 HA ILE 47 HA ILE 47 14.010 5.890 8.735 310 HB ILE 47 HB ILE 47 13.570 7.990 7.479 311 1HG1 ILE 47 2HG1 ILE 47 15.734 9.094 8.014 312 2HG1 ILE 47 1HG1 ILE 47 15.828 8.150 9.501 313 1HG2 ILE 47 1HG2 ILE 47 14.105 9.819 9.660 314 2HG2 ILE 47 2HG2 ILE 47 12.651 8.875 9.989 315 3HG2 ILE 47 3HG2 ILE 47 12.770 9.827 8.507 316 1HD1 ILE 47 1HD1 ILE 47 15.519 6.838 6.798 317 2HD1 ILE 47 2HD1 ILE 47 16.032 6.100 8.314 318 3HD1 ILE 47 3HD1 ILE 47 17.102 7.221 7.473 319 HA PRO 48 HA PRO 48 14.047 6.201 13.304 320 1HB PRO 48 HB2 PRO 48 15.077 3.676 13.663 321 2HB PRO 48 HB1 PRO 48 13.344 4.020 13.531 322 1HG PRO 48 HG2 PRO 48 15.177 2.803 11.516 323 2HG PRO 48 HG1 PRO 48 13.429 2.592 11.715 324 1HD PRO 48 HD2 PRO 48 14.681 4.230 9.783 325 2HD PRO 48 HD1 PRO 48 12.963 4.278 10.231 326 H ARG 49 H ARG 49 15.785 7.497 13.808 327 HA ARG 49 HA ARG 49 18.435 7.023 12.676 328 1HB ARG 49 HB2 ARG 49 17.497 8.935 14.840 329 2HB ARG 49 HB1 ARG 49 19.101 8.946 14.104 330 1HG ARG 49 HG2 ARG 49 18.023 9.274 11.871 331 2HG ARG 49 HG1 ARG 49 16.464 9.403 12.682 332 1HD ARG 49 HD2 ARG 49 18.609 11.134 13.767 333 2HD ARG 49 HD1 ARG 49 18.050 11.543 12.145 334 HE ARG 49 HE ARG 49 16.397 11.607 14.607 335 1HH1 ARG 49 1HH2 ARG 49 16.936 13.844 12.540 336 2HH1 ARG 49 2HH2 ARG 49 15.396 13.915 11.749 337 1HH2 ARG 49 1HH1 ARG 49 14.312 10.875 13.014 338 2HH2 ARG 49 2HH1 ARG 49 13.911 12.234 12.018 339 H GLY 50 H GLY 50 20.363 6.788 14.161 340 1HA GLY 50 HA2 GLY 50 21.156 6.093 16.414 341 2HA GLY 50 HA1 GLY 50 19.677 5.143 16.562 342 H ASP 51 H ASP 51 20.040 2.997 16.270 343 HA ASP 51 HA ASP 51 22.194 2.205 14.351 344 1HB ASP 51 HB2 ASP 51 22.371 0.110 15.722 345 2HB ASP 51 HB1 ASP 51 22.809 1.568 16.614 346 H MET 52 H MET 52 18.986 2.497 14.462 347 HA MET 52 HA MET 52 18.246 -0.189 13.504 348 1HB MET 52 HB2 MET 52 16.720 2.391 13.908 349 2HB MET 52 HB1 MET 52 15.994 0.989 13.121 350 1HG MET 52 HG2 MET 52 17.378 0.305 15.612 351 2HG MET 52 HG1 MET 52 16.052 1.445 15.854 352 1HE MET 52 HE1 MET 52 16.521 -2.681 15.268 353 2HE MET 52 HE2 MET 52 15.548 -2.335 16.694 354 3HE MET 52 HE3 MET 52 17.038 -1.439 16.416 355 HA PRO 53 HA PRO 53 18.880 0.771 9.262 356 1HB PRO 53 HB2 PRO 53 17.206 -1.121 8.179 357 2HB PRO 53 HB1 PRO 53 18.787 -1.501 8.884 358 1HG PRO 53 HG2 PRO 53 16.066 -1.987 10.004 359 2HG PRO 53 HG1 PRO 53 17.581 -2.852 10.319 360 1HD PRO 53 HD2 PRO 53 16.385 -0.921 12.014 361 2HD PRO 53 HD1 PRO 53 18.040 -1.554 12.153 362 H ASP 54 H ASP 54 17.506 1.239 7.210 363 HA ASP 54 HA ASP 54 15.539 3.250 7.844 364 1HB ASP 54 HB2 ASP 54 16.200 1.912 5.202 365 2HB ASP 54 HB1 ASP 54 15.204 3.356 5.383 366 H ASP 55 H ASP 55 13.278 3.150 7.660 367 HA ASP 55 HA ASP 55 12.147 0.414 7.720 368 1HB ASP 55 HB2 ASP 55 11.580 2.750 9.134 369 2HB ASP 55 HB1 ASP 55 10.239 2.607 7.997 370 H ARG 56 H ARG 56 12.151 -0.180 5.515 371 HA ARG 56 HA ARG 56 10.730 1.602 3.606 372 1HB ARG 56 HB2 ARG 56 12.146 -1.014 3.044 373 2HB ARG 56 HB1 ARG 56 11.634 0.195 1.871 374 1HG ARG 56 HG2 ARG 56 13.331 1.324 3.968 375 2HG ARG 56 HG1 ARG 56 14.142 0.055 3.048 376 1HD ARG 56 HD2 ARG 56 13.492 1.198 0.938 377 2HD ARG 56 HD1 ARG 56 12.759 2.492 1.887 378 HE ARG 56 HE ARG 56 15.270 2.530 2.881 379 1HH1 ARG 56 1HH2 ARG 56 15.054 1.184 -0.144 380 2HH1 ARG 56 2HH2 ARG 56 15.997 2.386 -0.961 381 1HH2 ARG 56 1HH1 ARG 56 16.076 4.548 1.751 382 2HH2 ARG 56 2HH1 ARG 56 16.574 4.291 0.112 383 H CYS 57 H CYS 57 8.668 1.142 2.939 384 HA CYS 57 HA CYS 57 7.126 -0.862 4.263 385 1HB CYS 57 HB2 CYS 57 6.682 0.965 1.955 386 2HB CYS 57 HB1 CYS 57 5.617 -0.431 2.088 387 H THR 58 H THR 58 6.080 -2.715 3.246 388 HA THR 58 HA THR 58 8.010 -4.308 1.716 389 HB THR 58 HB THR 58 6.832 -6.134 2.472 390 HG1 THR 58 HG1 THR 58 4.717 -6.305 2.243 391 1HG2 THR 58 1HG2 THR 58 5.465 -4.175 4.316 392 2HG2 THR 58 2HG2 THR 58 7.208 -4.439 4.402 393 3HG2 THR 58 3HG2 THR 58 6.098 -5.778 4.690 394 H GLY 59 H GLY 59 5.777 -2.059 0.819 395 1HA GLY 59 HA2 GLY 59 5.213 -1.588 -1.472 396 2HA GLY 59 HA1 GLY 59 5.533 -3.276 -1.870 397 H GLN 60 H GLN 60 3.974 -4.796 -0.463 398 HA GLN 60 HA GLN 60 1.278 -4.155 -1.334 399 1HB GLN 60 HB2 GLN 60 1.970 -6.334 0.633 400 2HB GLN 60 HB1 GLN 60 0.704 -6.321 -0.595 401 1HG GLN 60 HG2 GLN 60 2.828 -6.033 -2.208 402 2HG GLN 60 HG1 GLN 60 3.616 -6.886 -0.881 403 1HE2 GLN 60 1HE2 GLN 60 3.571 -9.111 -1.170 404 2HE2 GLN 60 2HE2 GLN 60 2.331 -9.974 -1.943 405 H SER 61 H SER 61 3.115 -3.296 1.366 406 HA SER 61 HA SER 61 0.830 -3.166 3.223 407 1HB SER 61 HB2 SER 61 3.617 -2.054 3.619 408 2HB SER 61 HB1 SER 61 2.428 -2.438 4.860 409 HG SER 61 HG SER 61 3.604 -4.299 3.063 410 H ALA 62 H ALA 62 -0.104 -1.223 3.930 411 HA ALA 62 HA ALA 62 0.378 1.118 2.140 412 1HB ALA 62 HB1 ALA 62 -1.852 1.814 3.445 413 2HB ALA 62 HB2 ALA 62 -1.968 0.070 3.681 414 3HB ALA 62 HB3 ALA 62 -1.908 0.738 2.049 415 H ASP 63 H ASP 63 -0.246 0.367 5.588 416 HA ASP 63 HA ASP 63 0.722 3.007 6.403 417 1HB ASP 63 HB2 ASP 63 -0.469 0.634 7.718 418 2HB ASP 63 HB1 ASP 63 0.692 1.528 8.702 419 H CYS 64 H CYS 64 2.620 3.179 7.919 420 HA CYS 64 HA CYS 64 4.881 1.741 6.783 421 1HB CYS 64 HB2 CYS 64 5.229 4.040 7.429 422 2HB CYS 64 HB1 CYS 64 4.657 3.731 9.043 423 HA PRO 65 HA PRO 65 4.442 -1.533 9.755 424 1HB PRO 65 HB2 PRO 65 6.322 -3.107 8.531 425 2HB PRO 65 HB1 PRO 65 4.636 -3.029 8.014 426 1HG PRO 65 HG2 PRO 65 7.070 -1.865 6.753 427 2HG PRO 65 HG1 PRO 65 5.533 -2.330 6.005 428 1HD PRO 65 HD2 PRO 65 6.326 0.297 6.630 429 2HD PRO 65 HD1 PRO 65 4.678 -0.223 6.230 430 H ARG 66 H ARG 66 5.966 -2.519 11.328 431 HA ARG 66 HA ARG 66 8.483 -0.929 11.617 432 1HB ARG 66 HB2 ARG 66 8.156 -1.251 14.101 433 2HB ARG 66 HB1 ARG 66 6.942 -0.225 13.335 434 1HG ARG 66 HG2 ARG 66 5.268 -1.808 13.543 435 2HG ARG 66 HG1 ARG 66 6.399 -3.162 13.487 436 1HD ARG 66 HD2 ARG 66 5.548 -2.990 15.748 437 2HD ARG 66 HD1 ARG 66 7.232 -2.471 15.757 438 HE ARG 66 HE ARG 66 6.371 -0.114 15.785 439 1HH1 ARG 66 1HH2 ARG 66 3.570 -1.691 15.318 440 2HH1 ARG 66 2HH2 ARG 66 2.776 -1.185 16.771 441 1HH2 ARG 66 1HH1 ARG 66 5.657 0.100 18.212 442 2HH2 ARG 66 2HH1 ARG 66 3.959 -0.170 18.411 443 H TYR 67 H TYR 67 10.338 -2.096 12.027 444 HA TYR 67 HA TYR 67 10.086 -5.050 11.933 445 1HB TYR 67 HB2 TYR 67 11.696 -3.681 10.451 446 2HB TYR 67 HB1 TYR 67 12.660 -3.468 11.912 447 HD1 TYR 67 HD1 TYR 67 11.149 -6.043 9.679 448 HD2 TYR 67 HD2 TYR 67 14.058 -5.204 12.725 449 HE1 TYR 67 HE1 TYR 67 12.129 -8.300 9.363 450 HE2 TYR 67 HE2 TYR 67 15.038 -7.459 12.410 451 HH TYR 67 HH TYR 67 14.827 -9.232 9.970 452 H HIS 68 H HIS 68 9.510 -5.595 14.064 453 HA HIS 68 HA HIS 68 9.898 -6.068 16.329 454 1HB HIS 68 HB2 HIS 68 12.681 -5.530 15.305 455 2HB HIS 68 HB1 HIS 68 12.400 -5.832 17.020 456 HD1 HIS 68 HD1 HIS 68 13.567 -8.155 16.946 457 HD2 HIS 68 HD2 HIS 68 10.308 -7.838 14.368 458 HE1 HIS 68 HE1 HIS 68 13.037 -10.506 16.172 Start of MODEL 6 1 1H GLY 1 HT1 GLY 1 -12.149 -8.902 11.226 2 2H GLY 1 HT2 GLY 1 -12.167 -10.323 12.158 3 3H GLY 1 HT3 GLY 1 -10.692 -9.560 11.792 4 1HA GLY 1 HA1 GLY 1 -12.751 -8.806 13.744 5 2HA GLY 1 HA2 GLY 1 -10.998 -8.836 13.925 6 H LYS 2 H LYS 2 -10.034 -7.331 11.928 7 HA LYS 2 HA LYS 2 -11.018 -4.642 12.611 8 1HB LYS 2 HB2 LYS 2 -8.513 -5.680 12.050 9 2HB LYS 2 HB1 LYS 2 -8.922 -4.824 10.564 10 1HG LYS 2 HG2 LYS 2 -9.202 -2.760 11.697 11 2HG LYS 2 HG1 LYS 2 -9.294 -3.545 13.273 12 1HD LYS 2 HD2 LYS 2 -6.825 -3.573 11.516 13 2HD LYS 2 HD1 LYS 2 -7.084 -2.426 12.833 14 1HE LYS 2 HE2 LYS 2 -7.590 -5.152 13.702 15 2HE LYS 2 HE1 LYS 2 -5.959 -4.981 13.052 16 1HZ LYS 2 HZ1 LYS 2 -7.152 -3.167 15.075 17 2HZ LYS 2 HZ2 LYS 2 -5.542 -3.169 14.529 18 3HZ LYS 2 HZ3 LYS 2 -6.132 -4.471 15.448 19 H GLU 3 H GLU 3 -12.962 -4.323 11.506 20 HA GLU 3 HA GLU 3 -12.982 -4.827 8.571 21 1HB GLU 3 HB2 GLU 3 -14.869 -5.637 10.094 22 2HB GLU 3 HB1 GLU 3 -15.311 -3.939 10.283 23 1HG GLU 3 HG2 GLU 3 -15.852 -3.698 8.002 24 2HG GLU 3 HG1 GLU 3 -14.946 -5.140 7.543 25 H CYS 4 H CYS 4 -11.364 -2.863 8.716 26 HA CYS 4 HA CYS 4 -12.770 -0.595 7.634 27 1HB CYS 4 HB2 CYS 4 -13.230 -0.115 9.993 28 2HB CYS 4 HB1 CYS 4 -11.512 -0.258 10.374 29 H ASP 5 H ASP 5 -11.380 0.505 6.321 30 HA ASP 5 HA ASP 5 -8.456 -0.022 6.664 31 1HB ASP 5 HB2 ASP 5 -9.719 -1.088 4.650 32 2HB ASP 5 HB1 ASP 5 -9.756 0.551 4.002 33 H CYS 6 H CYS 6 -10.923 2.292 6.571 34 HA CYS 6 HA CYS 6 -8.911 4.466 6.154 35 1HB CYS 6 HB2 CYS 6 -11.684 4.125 5.088 36 2HB CYS 6 HB1 CYS 6 -11.157 5.753 5.511 37 H SER 7 H SER 7 -8.598 5.492 8.075 38 HA SER 7 HA SER 7 -10.317 5.135 10.343 39 1HB SER 7 HB2 SER 7 -8.098 7.090 9.726 40 2HB SER 7 HB1 SER 7 -8.981 7.136 11.250 41 HG SER 7 HG SER 7 -7.196 5.813 11.497 42 H SER 8 H SER 8 -10.367 7.378 7.685 43 HA SER 8 HA SER 8 -12.244 9.170 9.109 44 1HB SER 8 HB2 SER 8 -11.477 9.458 6.216 45 2HB SER 8 HB1 SER 8 -11.904 10.711 7.377 46 HG SER 8 HG SER 8 -9.803 10.875 7.538 47 HA PRO 9 HA PRO 9 -15.638 6.933 7.310 48 1HB PRO 9 HB2 PRO 9 -17.605 8.584 8.285 49 2HB PRO 9 HB1 PRO 9 -16.780 7.363 9.268 50 1HG PRO 9 HG2 PRO 9 -16.450 10.326 9.288 51 2HG PRO 9 HG1 PRO 9 -16.156 9.156 10.586 52 1HD PRO 9 HD2 PRO 9 -14.177 10.369 8.958 53 2HD PRO 9 HD1 PRO 9 -13.938 8.979 10.040 54 H GLU 10 H GLU 10 -14.644 10.121 6.587 55 HA GLU 10 HA GLU 10 -16.723 10.440 4.479 56 1HB GLU 10 HB2 GLU 10 -16.225 12.346 6.061 57 2HB GLU 10 HB1 GLU 10 -14.615 12.435 5.350 58 1HG GLU 10 HG2 GLU 10 -16.186 12.415 3.108 59 2HG GLU 10 HG1 GLU 10 -17.210 13.299 4.241 60 H ASN 11 H ASN 11 -13.680 9.138 4.832 61 HA ASN 11 HA ASN 11 -12.227 10.104 2.608 62 1HB ASN 11 HB2 ASN 11 -11.315 8.543 4.319 63 2HB ASN 11 HB1 ASN 11 -12.310 7.255 3.641 64 1HD2 ASN 11 1HD2 ASN 11 -9.256 7.659 3.701 65 2HD2 ASN 11 2HD2 ASN 11 -8.787 7.475 2.081 66 HA PRO 12 HA PRO 12 -14.926 8.596 -0.609 67 1HB PRO 12 HB2 PRO 12 -13.467 9.655 -2.680 68 2HB PRO 12 HB1 PRO 12 -14.563 10.611 -1.669 69 1HG PRO 12 HG2 PRO 12 -11.585 10.551 -1.667 70 2HG PRO 12 HG1 PRO 12 -12.680 11.846 -1.158 71 1HD PRO 12 HD2 PRO 12 -11.300 10.047 0.554 72 2HD PRO 12 HD1 PRO 12 -12.602 11.160 1.024 73 H CYS 13 H CYS 13 -12.366 7.065 0.426 74 HA CYS 13 HA CYS 13 -12.010 5.467 -2.076 75 1HB CYS 13 HB2 CYS 13 -10.033 6.800 -0.467 76 2HB CYS 13 HB1 CYS 13 -9.769 5.059 -0.367 77 H CYS 14 H CYS 14 -13.163 5.480 1.076 78 HA CYS 14 HA CYS 14 -13.082 2.500 1.124 79 1HB CYS 14 HB2 CYS 14 -12.661 4.292 3.529 80 2HB CYS 14 HB1 CYS 14 -12.669 2.528 3.533 81 H ASP 15 H ASP 15 -15.057 1.647 1.363 82 HA ASP 15 HA ASP 15 -17.434 3.179 1.531 83 1HB ASP 15 HB2 ASP 15 -16.942 0.609 0.964 84 2HB ASP 15 HB1 ASP 15 -17.412 0.411 2.648 85 H ALA 16 H ALA 16 -18.250 4.271 3.256 86 HA ALA 16 HA ALA 16 -17.073 4.065 5.887 87 1HB ALA 16 HB1 ALA 16 -19.564 5.434 4.845 88 2HB ALA 16 HB2 ALA 16 -18.019 6.177 5.262 89 3HB ALA 16 HB3 ALA 16 -19.058 5.529 6.532 90 H ALA 17 H ALA 17 -19.995 2.754 4.378 91 HA ALA 17 HA ALA 17 -21.382 1.823 6.624 92 1HB ALA 17 HB1 ALA 17 -21.973 1.586 4.115 93 2HB ALA 17 HB2 ALA 17 -22.445 0.267 5.187 94 3HB ALA 17 HB3 ALA 17 -21.014 0.107 4.167 95 H THR 18 H THR 18 -18.559 0.397 5.014 96 HA THR 18 HA THR 18 -18.398 -1.589 7.241 97 HB THR 18 HB THR 18 -18.520 -2.643 5.040 98 HG1 THR 18 HG1 THR 18 -16.721 -3.872 5.255 99 1HG2 THR 18 1HG2 THR 18 -17.668 -1.598 3.248 100 2HG2 THR 18 2HG2 THR 18 -16.043 -1.859 3.882 101 3HG2 THR 18 3HG2 THR 18 -16.923 -0.387 4.295 102 H CYS 19 H CYS 19 -16.954 1.193 5.865 103 HA CYS 19 HA CYS 19 -15.160 2.478 6.705 104 1HB CYS 19 HB2 CYS 19 -15.815 1.162 8.895 105 2HB CYS 19 HB1 CYS 19 -14.351 0.245 8.541 106 H LYS 20 H LYS 20 -15.056 -0.099 4.828 107 HA LYS 20 HA LYS 20 -12.065 -0.262 4.817 108 1HB LYS 20 HB2 LYS 20 -14.097 -2.235 3.743 109 2HB LYS 20 HB1 LYS 20 -12.345 -2.405 3.607 110 1HG LYS 20 HG2 LYS 20 -12.679 -1.924 6.307 111 2HG LYS 20 HG1 LYS 20 -14.094 -2.903 5.919 112 1HD LYS 20 HD2 LYS 20 -12.594 -4.607 6.284 113 2HD LYS 20 HD1 LYS 20 -12.254 -4.318 4.577 114 1HE LYS 20 HE2 LYS 20 -10.655 -2.446 5.829 115 2HE LYS 20 HE1 LYS 20 -10.563 -3.826 6.926 116 1HZ LYS 20 HZ1 LYS 20 -10.350 -4.406 4.083 117 2HZ LYS 20 HZ2 LYS 20 -9.525 -5.092 5.399 118 3HZ LYS 20 HZ3 LYS 20 -9.038 -3.589 4.779 119 H LEU 21 H LEU 21 -11.401 -1.008 2.389 120 HA LEU 21 HA LEU 21 -11.767 1.299 0.758 121 1HB LEU 21 HB2 LEU 21 -10.656 -1.450 0.306 122 2HB LEU 21 HB1 LEU 21 -10.891 -0.376 -1.074 123 HG LEU 21 HG LEU 21 -9.679 1.082 1.101 124 1HD1 LEU 21 1HD1 LEU 21 -8.931 -1.542 1.260 125 2HD1 LEU 21 2HD1 LEU 21 -7.903 -0.193 1.739 126 3HD1 LEU 21 3HD1 LEU 21 -7.722 -0.915 0.141 127 1HD2 LEU 21 1HD2 LEU 21 -7.950 0.545 -1.160 128 2HD2 LEU 21 2HD2 LEU 21 -8.734 2.056 -0.700 129 3HD2 LEU 21 3HD2 LEU 21 -9.589 0.892 -1.712 130 H ARG 22 H ARG 22 -12.690 1.138 -1.559 131 HA ARG 22 HA ARG 22 -15.014 -0.688 -1.731 132 1HB ARG 22 HB2 ARG 22 -15.346 1.957 -0.882 133 2HB ARG 22 HB1 ARG 22 -15.834 1.957 -2.579 134 1HG ARG 22 HG2 ARG 22 -16.787 -0.246 -0.783 135 2HG ARG 22 HG1 ARG 22 -17.592 1.323 -0.737 136 1HD ARG 22 HD2 ARG 22 -18.007 1.215 -3.148 137 2HD ARG 22 HD1 ARG 22 -17.138 -0.317 -3.247 138 HE ARG 22 HE ARG 22 -19.724 0.035 -1.787 139 1HH1 ARG 22 1HH1 ARG 22 -18.402 -1.425 -4.445 140 2HH1 ARG 22 2HH1 ARG 22 -18.889 -3.040 -4.047 141 1HH2 ARG 22 1HH2 ARG 22 -19.914 -2.223 -0.837 142 2HH2 ARG 22 2HH2 ARG 22 -19.745 -3.492 -2.004 143 HA PRO 23 HA PRO 23 -14.372 1.028 -6.079 144 1HB PRO 23 HB2 PRO 23 -12.696 3.165 -6.486 145 2HB PRO 23 HB1 PRO 23 -14.426 3.327 -6.136 146 1HG PRO 23 HG2 PRO 23 -12.098 3.853 -4.356 147 2HG PRO 23 HG1 PRO 23 -13.734 4.526 -4.292 148 1HD PRO 23 HD2 PRO 23 -12.703 2.463 -2.651 149 2HD PRO 23 HD1 PRO 23 -14.399 2.958 -2.774 150 H GLY 24 H GLY 24 -12.288 1.413 -7.716 151 1HA GLY 24 HA2 GLY 24 -10.569 -0.826 -7.266 152 2HA GLY 24 HA1 GLY 24 -10.315 0.412 -8.496 153 H ALA 25 H ALA 25 -9.913 -0.188 -5.005 154 HA ALA 25 HA ALA 25 -7.373 1.345 -5.132 155 1HB ALA 25 HB1 ALA 25 -8.184 2.232 -2.759 156 2HB ALA 25 HB2 ALA 25 -9.778 1.986 -3.471 157 3HB ALA 25 HB3 ALA 25 -8.626 3.077 -4.241 158 H GLN 26 H GLN 26 -5.780 0.284 -4.035 159 HA GLN 26 HA GLN 26 -6.489 -2.171 -2.576 160 1HB GLN 26 HB2 GLN 26 -4.209 -1.195 -4.017 161 2HB GLN 26 HB1 GLN 26 -3.704 -1.604 -2.377 162 1HG GLN 26 HG2 GLN 26 -3.544 -3.706 -3.282 163 2HG GLN 26 HG1 GLN 26 -5.264 -3.743 -2.896 164 1HE2 GLN 26 1HE2 GLN 26 -3.533 -2.042 -5.561 165 2HE2 GLN 26 2HE2 GLN 26 -4.414 -2.785 -6.807 166 H CYS 27 H CYS 27 -5.865 1.106 -1.866 167 HA CYS 27 HA CYS 27 -6.072 0.582 1.009 168 1HB CYS 27 HB2 CYS 27 -3.961 2.052 1.377 169 2HB CYS 27 HB1 CYS 27 -3.730 0.351 0.970 170 H GLY 28 H GLY 28 -6.772 2.459 2.126 171 1HA GLY 28 HA2 GLY 28 -7.459 4.741 0.330 172 2HA GLY 28 HA1 GLY 28 -8.395 4.283 1.749 173 H GLU 29 H GLU 29 -5.514 3.821 2.972 174 HA GLU 29 HA GLU 29 -4.455 6.507 3.208 175 1HB GLU 29 HB2 GLU 29 -5.141 6.995 5.462 176 2HB GLU 29 HB1 GLU 29 -6.594 6.627 4.537 177 1HG GLU 29 HG2 GLU 29 -7.091 4.981 5.979 178 2HG GLU 29 HG1 GLU 29 -5.591 4.162 5.542 179 H GLY 30 H GLY 30 -2.536 6.549 4.534 180 1HA GLY 30 HA2 GLY 30 -1.454 4.751 6.276 181 2HA GLY 30 HA1 GLY 30 -1.238 3.920 4.730 182 H LEU 31 H LEU 31 1.115 4.178 4.955 183 HA LEU 31 HA LEU 31 2.013 6.996 4.559 184 1HB LEU 31 HB2 LEU 31 4.337 5.847 5.078 185 2HB LEU 31 HB1 LEU 31 3.277 6.403 6.370 186 HG LEU 31 HG LEU 31 2.273 4.008 6.264 187 1HD1 LEU 31 1HD1 LEU 31 4.023 2.341 5.534 188 2HD1 LEU 31 2HD1 LEU 31 4.941 3.674 4.850 189 3HD1 LEU 31 3HD1 LEU 31 3.351 3.272 4.208 190 1HD2 LEU 31 1HD2 LEU 31 5.104 4.098 7.250 191 2HD2 LEU 31 2HD2 LEU 31 3.673 3.452 8.045 192 3HD2 LEU 31 3HD2 LEU 31 3.915 5.192 7.946 193 H CYS 32 H CYS 32 1.870 3.824 3.207 194 HA CYS 32 HA CYS 32 3.423 4.835 0.858 195 1HB CYS 32 HB2 CYS 32 3.470 2.233 2.287 196 2HB CYS 32 HB1 CYS 32 3.596 2.176 0.526 197 H CYS 33 H CYS 33 0.793 5.472 0.821 198 HA CYS 33 HA CYS 33 -0.289 3.521 -1.162 199 1HB CYS 33 HB2 CYS 33 -1.546 3.304 0.964 200 2HB CYS 33 HB1 CYS 33 -1.929 5.023 0.904 201 H GLU 34 H GLU 34 0.076 4.675 -3.018 202 HA GLU 34 HA GLU 34 -0.648 7.559 -3.061 203 1HB GLU 34 HB2 GLU 34 1.573 7.134 -3.909 204 2HB GLU 34 HB1 GLU 34 0.982 5.832 -4.944 205 1HG GLU 34 HG2 GLU 34 1.383 8.015 -6.151 206 2HG GLU 34 HG1 GLU 34 -0.256 7.385 -6.315 207 H GLN 35 H GLN 35 -2.467 8.190 -4.136 208 HA GLN 35 HA GLN 35 -4.419 8.022 -5.414 209 1HB GLN 35 HB2 GLN 35 -2.558 7.429 -7.152 210 2HB GLN 35 HB1 GLN 35 -3.146 5.777 -6.962 211 1HG GLN 35 HG2 GLN 35 -4.467 6.556 -8.727 212 2HG GLN 35 HG1 GLN 35 -5.506 6.858 -7.333 213 1HE2 GLN 35 1HE2 GLN 35 -3.430 8.420 -9.744 214 2HE2 GLN 35 2HE2 GLN 35 -3.930 10.006 -9.404 215 H CYS 36 H CYS 36 -4.036 6.405 -3.016 216 HA CYS 36 HA CYS 36 -5.181 4.726 -1.861 217 1HB CYS 36 HB2 CYS 36 -6.905 4.971 -4.330 218 2HB CYS 36 HB1 CYS 36 -7.277 3.843 -3.031 219 H LYS 37 H LYS 37 -3.010 4.163 -3.916 220 HA LYS 37 HA LYS 37 -3.619 1.254 -4.258 221 1HB LYS 37 HB2 LYS 37 -1.901 3.007 -6.046 222 2HB LYS 37 HB1 LYS 37 -2.205 1.283 -6.272 223 1HG LYS 37 HG2 LYS 37 -4.516 1.647 -6.730 224 2HG LYS 37 HG1 LYS 37 -4.446 3.309 -6.142 225 1HD LYS 37 HD2 LYS 37 -2.799 3.791 -8.007 226 2HD LYS 37 HD1 LYS 37 -3.175 2.194 -8.653 227 1HE LYS 37 HE2 LYS 37 -5.669 3.017 -8.432 228 2HE LYS 37 HE1 LYS 37 -4.932 4.620 -8.460 229 1HZ LYS 37 HZ1 LYS 37 -5.594 3.401 -10.662 230 2HZ LYS 37 HZ2 LYS 37 -4.078 2.658 -10.461 231 3HZ LYS 37 HZ3 LYS 37 -4.191 4.350 -10.581 232 H PHE 38 H PHE 38 -2.015 -0.156 -3.542 233 HA PHE 38 HA PHE 38 -0.170 0.687 -1.584 234 1HB PHE 38 HB2 PHE 38 -0.170 -1.755 -3.371 235 2HB PHE 38 HB1 PHE 38 0.990 -1.525 -2.066 236 HD1 PHE 38 HD1 PHE 38 -0.776 -0.144 -0.058 237 HD2 PHE 38 HD2 PHE 38 -1.469 -3.568 -2.560 238 HE1 PHE 38 HE1 PHE 38 -2.432 -1.002 1.573 239 HE2 PHE 38 HE2 PHE 38 -3.125 -4.425 -0.926 240 HZ PHE 38 HZ PHE 38 -3.606 -3.142 1.141 241 H SER 39 H SER 39 1.693 1.831 -1.774 242 HA SER 39 HA SER 39 2.774 2.610 -4.314 243 1HB SER 39 HB2 SER 39 4.261 2.593 -1.676 244 2HB SER 39 HB1 SER 39 4.546 3.646 -3.059 245 HG SER 39 HG SER 39 2.175 4.191 -2.642 246 H ARG 40 H ARG 40 5.644 2.041 -3.380 247 HA ARG 40 HA ARG 40 5.698 -0.791 -4.339 248 1HB ARG 40 HB2 ARG 40 7.561 1.538 -4.800 249 2HB ARG 40 HB1 ARG 40 8.119 -0.123 -5.004 250 1HG ARG 40 HG2 ARG 40 6.293 -0.544 -6.612 251 2HG ARG 40 HG1 ARG 40 5.737 1.119 -6.414 252 1HD ARG 40 HD2 ARG 40 8.571 0.510 -7.246 253 2HD ARG 40 HD1 ARG 40 7.270 0.606 -8.433 254 HE ARG 40 HE ARG 40 7.056 2.958 -7.954 255 1HH1 ARG 40 1HH2 ARG 40 10.127 2.035 -7.617 256 2HH1 ARG 40 2HH2 ARG 40 10.585 3.160 -6.383 257 1HH2 ARG 40 1HH1 ARG 40 7.328 4.119 -5.677 258 2HH2 ARG 40 2HH1 ARG 40 9.000 4.341 -5.285 259 H ALA 41 H ALA 41 7.305 -2.189 -3.361 260 HA ALA 41 HA ALA 41 7.602 -1.739 -0.510 261 1HB ALA 41 HB1 ALA 41 7.417 -3.980 -1.878 262 2HB ALA 41 HB2 ALA 41 8.406 -3.925 -0.419 263 3HB ALA 41 HB3 ALA 41 9.167 -3.819 -2.006 264 H GLY 42 H GLY 42 9.844 -2.023 0.525 265 1HA GLY 42 HA2 GLY 42 12.043 -1.211 0.789 266 2HA GLY 42 HA1 GLY 42 12.156 -1.134 -0.973 267 H LYS 43 H LYS 43 9.416 0.367 0.463 268 HA LYS 43 HA LYS 43 10.442 3.010 -0.392 269 1HB LYS 43 HB2 LYS 43 8.201 2.481 -1.106 270 2HB LYS 43 HB1 LYS 43 7.721 2.061 0.539 271 1HG LYS 43 HG2 LYS 43 7.006 4.374 -0.248 272 2HG LYS 43 HG1 LYS 43 7.904 4.331 1.271 273 1HD LYS 43 HD2 LYS 43 9.745 5.353 0.366 274 2HD LYS 43 HD1 LYS 43 9.526 4.582 -1.205 275 1HE LYS 43 HE2 LYS 43 7.286 6.205 -0.972 276 2HE LYS 43 HE1 LYS 43 8.573 7.184 -0.270 277 1HZ LYS 43 HZ1 LYS 43 9.793 7.131 -2.218 278 2HZ LYS 43 HZ2 LYS 43 8.200 7.276 -2.789 279 3HZ LYS 43 HZ3 LYS 43 8.983 5.769 -2.824 280 H ILE 44 H ILE 44 11.580 4.142 1.084 281 HA ILE 44 HA ILE 44 11.793 3.623 3.814 282 HB ILE 44 HB ILE 44 13.064 5.304 2.210 283 1HG1 ILE 44 2HG1 ILE 44 13.981 4.761 4.331 284 2HG1 ILE 44 1HG1 ILE 44 13.852 6.520 4.328 285 1HG2 ILE 44 1HG2 ILE 44 11.266 7.204 3.736 286 2HG2 ILE 44 2HG2 ILE 44 11.037 6.805 2.032 287 3HG2 ILE 44 3HG2 ILE 44 12.511 7.618 2.558 288 1HD1 ILE 44 1HD1 ILE 44 11.792 4.645 5.524 289 2HD1 ILE 44 2HD1 ILE 44 11.764 6.407 5.591 290 3HD1 ILE 44 3HD1 ILE 44 13.018 5.512 6.448 291 H CYS 45 H CYS 45 10.176 3.510 5.255 292 HA CYS 45 HA CYS 45 7.937 5.503 5.079 293 1HB CYS 45 HB2 CYS 45 6.807 3.824 6.656 294 2HB CYS 45 HB1 CYS 45 6.990 3.353 4.972 295 H ARG 46 H ARG 46 10.587 4.377 7.012 296 HA ARG 46 HA ARG 46 10.146 6.570 8.909 297 1HB ARG 46 HB2 ARG 46 9.256 3.897 9.532 298 2HB ARG 46 HB1 ARG 46 10.575 4.351 10.612 299 1HG ARG 46 HG2 ARG 46 9.357 6.001 11.622 300 2HG ARG 46 HG1 ARG 46 8.535 6.447 10.127 301 1HD ARG 46 HD2 ARG 46 6.864 4.880 10.415 302 2HD ARG 46 HD1 ARG 46 7.909 3.778 11.310 303 HE ARG 46 HE ARG 46 7.386 4.960 13.311 304 1HH1 ARG 46 1HH2 ARG 46 4.660 5.198 12.102 305 2HH1 ARG 46 2HH2 ARG 46 4.344 6.895 12.243 306 1HH2 ARG 46 1HH1 ARG 46 7.663 7.735 12.797 307 2HH2 ARG 46 2HH1 ARG 46 6.044 8.332 12.637 308 H ILE 47 H ILE 47 12.103 7.362 9.448 309 HA ILE 47 HA ILE 47 14.488 5.697 8.855 310 HB ILE 47 HB ILE 47 14.227 7.994 7.841 311 1HG1 ILE 47 2HG1 ILE 47 16.440 6.844 8.192 312 2HG1 ILE 47 1HG1 ILE 47 16.544 8.604 8.181 313 1HG2 ILE 47 1HG2 ILE 47 14.941 9.077 10.557 314 2HG2 ILE 47 2HG2 ILE 47 13.252 8.872 10.093 315 3HG2 ILE 47 3HG2 ILE 47 14.302 9.933 9.154 316 1HD1 ILE 47 1HD1 ILE 47 17.051 6.707 10.378 317 2HD1 ILE 47 2HD1 ILE 47 16.079 8.103 10.837 318 3HD1 ILE 47 3HD1 ILE 47 17.678 8.335 10.131 319 HA PRO 48 HA PRO 48 14.613 5.334 13.350 320 1HB PRO 48 HB2 PRO 48 16.306 3.169 13.330 321 2HB PRO 48 HB1 PRO 48 14.551 3.044 13.112 322 1HG PRO 48 HG2 PRO 48 16.717 2.797 11.076 323 2HG PRO 48 HG1 PRO 48 15.095 2.086 11.079 324 1HD PRO 48 HD2 PRO 48 15.902 4.358 9.599 325 2HD PRO 48 HD1 PRO 48 14.226 3.841 9.887 326 H ARG 49 H ARG 49 16.034 6.478 14.621 327 HA ARG 49 HA ARG 49 18.548 7.437 13.490 328 1HB ARG 49 HB2 ARG 49 16.977 7.907 15.983 329 2HB ARG 49 HB1 ARG 49 18.706 8.255 16.036 330 1HG ARG 49 HG2 ARG 49 18.181 10.249 15.108 331 2HG ARG 49 HG1 ARG 49 17.920 9.349 13.614 332 1HD ARG 49 HD2 ARG 49 15.549 9.010 14.243 333 2HD ARG 49 HD1 ARG 49 15.816 9.947 15.714 334 HE ARG 49 HE ARG 49 16.150 11.931 14.311 335 1HH1 ARG 49 1HH1 ARG 49 13.866 9.775 13.323 336 2HH1 ARG 49 2HH1 ARG 49 13.820 10.268 11.663 337 1HH2 ARG 49 1HH2 ARG 49 16.648 12.262 11.901 338 2HH2 ARG 49 2HH2 ARG 49 15.398 11.675 10.857 339 H GLY 50 H GLY 50 20.646 6.876 14.197 340 1HA GLY 50 HA2 GLY 50 22.119 5.699 15.790 341 2HA GLY 50 HA1 GLY 50 20.814 4.543 16.057 342 H ASP 51 H ASP 51 21.656 2.630 15.287 343 HA ASP 51 HA ASP 51 22.722 2.666 12.489 344 1HB ASP 51 HB2 ASP 51 24.249 2.009 14.564 345 2HB ASP 51 HB1 ASP 51 23.425 0.460 14.386 346 H MET 52 H MET 52 20.048 2.469 12.668 347 HA MET 52 HA MET 52 19.446 -0.455 12.549 348 1HB MET 52 HB2 MET 52 17.938 1.910 13.469 349 2HB MET 52 HB1 MET 52 17.007 0.794 12.467 350 1HG MET 52 HG2 MET 52 16.757 -0.513 14.284 351 2HG MET 52 HG1 MET 52 18.490 -0.836 14.216 352 1HE MET 52 HE1 MET 52 16.706 -1.011 16.652 353 2HE MET 52 HE2 MET 52 17.486 -0.134 17.965 354 3HE MET 52 HE3 MET 52 18.435 -1.216 16.951 355 HA PRO 53 HA PRO 53 18.621 -0.126 8.255 356 1HB PRO 53 HB2 PRO 53 16.535 -1.899 7.994 357 2HB PRO 53 HB1 PRO 53 18.214 -2.396 8.266 358 1HG PRO 53 HG2 PRO 53 15.928 -2.382 10.182 359 2HG PRO 53 HG1 PRO 53 17.377 -3.399 10.173 360 1HD PRO 53 HD2 PRO 53 16.943 -1.149 11.833 361 2HD PRO 53 HD1 PRO 53 18.497 -1.969 11.572 362 H ASP 54 H ASP 54 17.616 1.557 7.216 363 HA ASP 54 HA ASP 54 15.528 3.122 8.191 364 1HB ASP 54 HB2 ASP 54 15.972 2.510 5.255 365 2HB ASP 54 HB1 ASP 54 15.234 3.961 5.934 366 H ASP 55 H ASP 55 13.330 2.902 8.318 367 HA ASP 55 HA ASP 55 12.114 0.333 7.882 368 1HB ASP 55 HB2 ASP 55 11.434 2.540 9.332 369 2HB ASP 55 HB1 ASP 55 10.333 2.697 7.965 370 H ARG 56 H ARG 56 11.208 -0.480 6.038 371 HA ARG 56 HA ARG 56 10.593 1.438 3.830 372 1HB ARG 56 HB2 ARG 56 11.864 -1.287 3.518 373 2HB ARG 56 HB1 ARG 56 11.481 -0.154 2.220 374 1HG ARG 56 HG2 ARG 56 12.969 1.403 3.941 375 2HG ARG 56 HG1 ARG 56 13.758 -0.169 4.076 376 1HD ARG 56 HD2 ARG 56 13.578 -0.170 1.453 377 2HD ARG 56 HD1 ARG 56 13.420 1.575 1.655 378 HE ARG 56 HE ARG 56 15.835 -0.020 2.221 379 1HH1 ARG 56 1HH1 ARG 56 14.061 2.855 2.882 380 2HH1 ARG 56 2HH1 ARG 56 15.470 3.851 3.034 381 1HH2 ARG 56 1HH2 ARG 56 17.686 1.299 2.258 382 2HH2 ARG 56 2HH2 ARG 56 17.522 2.970 2.687 383 H CYS 57 H CYS 57 8.688 1.093 2.788 384 HA CYS 57 HA CYS 57 6.704 -0.592 3.980 385 1HB CYS 57 HB2 CYS 57 6.695 0.577 1.183 386 2HB CYS 57 HB1 CYS 57 5.290 0.095 2.132 387 H THR 58 H THR 58 5.885 -2.586 3.303 388 HA THR 58 HA THR 58 7.736 -4.370 2.001 389 HB THR 58 HB THR 58 5.615 -5.908 2.068 390 HG1 THR 58 HG1 THR 58 4.392 -4.875 3.992 391 1HG2 THR 58 1HG2 THR 58 7.083 -4.783 4.455 392 2HG2 THR 58 2HG2 THR 58 7.398 -6.290 3.599 393 3HG2 THR 58 3HG2 THR 58 5.952 -6.129 4.597 394 H GLY 59 H GLY 59 5.484 -2.171 0.758 395 1HA GLY 59 HA1 GLY 59 5.527 -1.860 -1.694 396 2HA GLY 59 HA2 GLY 59 5.578 -3.611 -1.858 397 H GLN 60 H GLN 60 3.584 -4.577 -0.401 398 HA GLN 60 HA GLN 60 1.188 -3.348 -1.649 399 1HB GLN 60 HB2 GLN 60 1.301 -5.972 -0.154 400 2HB GLN 60 HB1 GLN 60 0.119 -5.453 -1.355 401 1HG GLN 60 HG2 GLN 60 1.877 -5.461 -3.091 402 2HG GLN 60 HG1 GLN 60 3.054 -5.993 -1.890 403 1HE2 GLN 60 1HE2 GLN 60 2.897 -7.775 -3.874 404 2HE2 GLN 60 2HE2 GLN 60 1.925 -9.110 -3.487 405 H SER 61 H SER 61 2.781 -3.280 1.325 406 HA SER 61 HA SER 61 0.306 -3.170 2.935 407 1HB SER 61 HB2 SER 61 2.172 -4.171 4.045 408 2HB SER 61 HB1 SER 61 3.238 -2.843 3.599 409 HG SER 61 HG SER 61 2.649 -2.334 5.615 410 H ALA 62 H ALA 62 -0.874 -1.307 2.613 411 HA ALA 62 HA ALA 62 0.082 1.204 1.761 412 1HB ALA 62 HB1 ALA 62 -2.349 0.191 3.008 413 2HB ALA 62 HB2 ALA 62 -2.154 1.531 1.879 414 3HB ALA 62 HB3 ALA 62 -1.947 1.799 3.609 415 H ASP 63 H ASP 63 -0.375 0.012 5.091 416 HA ASP 63 HA ASP 63 0.962 2.360 6.214 417 1HB ASP 63 HB2 ASP 63 0.523 -0.200 7.730 418 2HB ASP 63 HB1 ASP 63 0.440 1.464 8.311 419 H CYS 64 H CYS 64 2.916 1.866 7.734 420 HA CYS 64 HA CYS 64 4.801 0.229 6.130 421 1HB CYS 64 HB2 CYS 64 5.614 2.437 6.433 422 2HB CYS 64 HB1 CYS 64 5.231 2.430 8.143 423 HA PRO 65 HA PRO 65 4.498 -2.776 9.366 424 1HB PRO 65 HB2 PRO 65 5.885 -4.665 7.954 425 2HB PRO 65 HB1 PRO 65 4.167 -4.346 7.712 426 1HG PRO 65 HG2 PRO 65 6.487 -3.652 5.988 427 2HG PRO 65 HG1 PRO 65 4.785 -3.857 5.546 428 1HD PRO 65 HD2 PRO 65 6.141 -1.394 5.907 429 2HD PRO 65 HD1 PRO 65 4.389 -1.615 5.732 430 H ARG 66 H ARG 66 6.649 -4.622 9.654 431 HA ARG 66 HA ARG 66 8.862 -2.775 10.450 432 1HB ARG 66 HB2 ARG 66 7.886 -5.352 11.705 433 2HB ARG 66 HB1 ARG 66 9.394 -4.560 12.163 434 1HG ARG 66 HG2 ARG 66 8.289 -3.086 13.455 435 2HG ARG 66 HG1 ARG 66 7.246 -2.629 12.107 436 1HD ARG 66 HD2 ARG 66 5.531 -3.821 12.945 437 2HD ARG 66 HD1 ARG 66 6.538 -5.261 13.094 438 HE ARG 66 HE ARG 66 7.333 -4.221 15.298 439 1HH1 ARG 66 1HH2 ARG 66 4.173 -4.704 14.368 440 2HH1 ARG 66 2HH2 ARG 66 3.460 -3.715 15.598 441 1HH2 ARG 66 1HH1 ARG 66 6.484 -2.393 16.662 442 2HH2 ARG 66 2HH1 ARG 66 4.766 -2.406 16.895 443 H TYR 67 H TYR 67 11.046 -3.899 10.504 444 HA TYR 67 HA TYR 67 11.335 -5.498 8.021 445 1HB TYR 67 HB2 TYR 67 12.822 -3.408 9.154 446 2HB TYR 67 HB1 TYR 67 13.817 -4.847 9.386 447 HD1 TYR 67 HD1 TYR 67 12.732 -6.399 6.972 448 HD2 TYR 67 HD2 TYR 67 14.141 -2.366 7.424 449 HE1 TYR 67 HE1 TYR 67 13.365 -6.351 4.574 450 HE2 TYR 67 HE2 TYR 67 14.773 -2.318 5.026 451 HH TYR 67 HH TYR 67 15.419 -4.293 3.256 452 H HIS 68 H HIS 68 10.203 -7.113 9.825 453 HA HIS 68 HA HIS 68 12.385 -8.565 11.234 454 1HB HIS 68 HB2 HIS 68 9.373 -8.628 11.438 455 2HB HIS 68 HB1 HIS 68 10.372 -9.891 12.157 456 HD1 HIS 68 HD1 HIS 68 12.425 -8.826 13.737 457 HD2 HIS 68 HD2 HIS 68 9.020 -6.494 13.147 458 HE1 HIS 68 HE1 HIS 68 12.423 -7.084 15.574 Start of MODEL 7 1 1H GLY 1 HT1 GLY 1 -16.975 -6.558 15.728 2 2H GLY 1 HT2 GLY 1 -15.918 -7.236 14.584 3 3H GLY 1 HT3 GLY 1 -17.544 -7.725 14.635 4 1HA GLY 1 HA1 GLY 1 -18.128 -6.133 13.233 5 2HA GLY 1 HA2 GLY 1 -17.449 -4.929 14.329 6 H LYS 2 H LYS 2 -17.150 -6.250 11.273 7 HA LYS 2 HA LYS 2 -14.415 -5.088 11.013 8 1HB LYS 2 HB2 LYS 2 -14.451 -7.662 11.107 9 2HB LYS 2 HB1 LYS 2 -15.250 -7.588 9.536 10 1HG LYS 2 HG2 LYS 2 -13.382 -6.437 8.550 11 2HG LYS 2 HG1 LYS 2 -12.623 -6.203 10.125 12 1HD LYS 2 HD2 LYS 2 -11.486 -8.110 9.685 13 2HD LYS 2 HD1 LYS 2 -13.003 -8.944 10.027 14 1HE LYS 2 HE2 LYS 2 -13.005 -9.683 7.900 15 2HE LYS 2 HE1 LYS 2 -13.222 -8.014 7.373 16 1HZ LYS 2 HZ1 LYS 2 -11.232 -8.189 6.440 17 2HZ LYS 2 HZ2 LYS 2 -10.917 -9.677 7.199 18 3HZ LYS 2 HZ3 LYS 2 -10.564 -8.221 7.999 19 H GLU 3 H GLU 3 -16.200 -3.386 10.317 20 HA GLU 3 HA GLU 3 -16.636 -3.744 7.377 21 1HB GLU 3 HB2 GLU 3 -18.632 -2.246 7.668 22 2HB GLU 3 HB1 GLU 3 -18.793 -3.801 8.485 23 1HG GLU 3 HG2 GLU 3 -18.780 -2.855 10.553 24 2HG GLU 3 HG1 GLU 3 -17.530 -1.690 10.117 25 H CYS 4 H CYS 4 -14.344 -2.515 8.807 26 HA CYS 4 HA CYS 4 -14.521 0.144 7.493 27 1HB CYS 4 HB2 CYS 4 -14.095 -0.387 10.390 28 2HB CYS 4 HB1 CYS 4 -13.050 0.827 9.657 29 H ASP 5 H ASP 5 -12.938 -0.099 5.960 30 HA ASP 5 HA ASP 5 -10.474 -1.587 6.643 31 1HB ASP 5 HB2 ASP 5 -11.936 -0.995 4.221 32 2HB ASP 5 HB1 ASP 5 -10.260 -0.476 4.052 33 H CYS 6 H CYS 6 -11.594 1.582 6.810 34 HA CYS 6 HA CYS 6 -8.784 2.580 6.915 35 1HB CYS 6 HB2 CYS 6 -9.375 4.604 5.771 36 2HB CYS 6 HB1 CYS 6 -10.012 3.284 4.793 37 H SER 7 H SER 7 -8.854 4.862 8.078 38 HA SER 7 HA SER 7 -10.692 4.563 10.419 39 1HB SER 7 HB2 SER 7 -8.996 5.569 11.781 40 2HB SER 7 HB1 SER 7 -8.181 4.355 10.800 41 HG SER 7 HG SER 7 -7.778 7.004 10.904 42 H SER 8 H SER 8 -10.300 6.346 7.663 43 HA SER 8 HA SER 8 -11.426 8.794 8.963 44 1HB SER 8 HB2 SER 8 -9.476 9.602 7.987 45 2HB SER 8 HB1 SER 8 -9.522 8.426 6.678 46 HG SER 8 HG SER 8 -10.118 10.432 5.878 47 HA PRO 9 HA PRO 9 -15.012 7.832 6.544 48 1HB PRO 9 HB2 PRO 9 -16.371 10.163 7.066 49 2HB PRO 9 HB1 PRO 9 -16.234 8.830 8.227 50 1HG PRO 9 HG2 PRO 9 -14.843 11.468 8.227 51 2HG PRO 9 HG1 PRO 9 -15.234 10.404 9.590 52 1HD PRO 9 HD2 PRO 9 -12.695 10.660 8.359 53 2HD PRO 9 HD1 PRO 9 -13.182 9.387 9.497 54 H GLU 10 H GLU 10 -13.668 11.140 6.272 55 HA GLU 10 HA GLU 10 -14.792 11.652 3.673 56 1HB GLU 10 HB2 GLU 10 -12.850 13.397 3.616 57 2HB GLU 10 HB1 GLU 10 -14.126 13.595 4.816 58 1HG GLU 10 HG2 GLU 10 -11.937 11.855 5.720 59 2HG GLU 10 HG1 GLU 10 -11.427 13.510 5.380 60 H ASN 11 H ASN 11 -12.031 9.873 4.760 61 HA ASN 11 HA ASN 11 -10.228 9.953 2.668 62 1HB ASN 11 HB2 ASN 11 -10.080 8.486 4.699 63 2HB ASN 11 HB1 ASN 11 -11.237 7.395 3.939 64 1HD2 ASN 11 1HD2 ASN 11 -8.183 7.200 4.581 65 2HD2 ASN 11 2HD2 ASN 11 -7.517 6.644 3.123 66 HA PRO 12 HA PRO 12 -12.871 8.791 -0.744 67 1HB PRO 12 HB2 PRO 12 -10.950 9.137 -2.677 68 2HB PRO 12 HB1 PRO 12 -11.856 10.473 -1.946 69 1HG PRO 12 HG2 PRO 12 -9.028 9.651 -1.487 70 2HG PRO 12 HG1 PRO 12 -9.777 11.246 -1.303 71 1HD PRO 12 HD2 PRO 12 -9.151 9.451 0.797 72 2HD PRO 12 HD1 PRO 12 -10.176 10.897 0.925 73 H CYS 13 H CYS 13 -9.958 7.232 0.281 74 HA CYS 13 HA CYS 13 -9.934 5.174 -1.774 75 1HB CYS 13 HB2 CYS 13 -8.645 5.234 0.971 76 2HB CYS 13 HB1 CYS 13 -8.297 4.055 -0.294 77 H CYS 14 H CYS 14 -11.392 5.522 1.422 78 HA CYS 14 HA CYS 14 -12.579 2.796 1.078 79 1HB CYS 14 HB2 CYS 14 -12.884 2.765 3.510 80 2HB CYS 14 HB1 CYS 14 -11.192 3.073 3.120 81 H ASP 15 H ASP 15 -14.711 2.736 0.669 82 HA ASP 15 HA ASP 15 -16.310 5.047 0.302 83 1HB ASP 15 HB2 ASP 15 -16.624 2.488 -0.387 84 2HB ASP 15 HB1 ASP 15 -17.614 2.475 1.067 85 H ALA 16 H ALA 16 -17.706 6.151 1.665 86 HA ALA 16 HA ALA 16 -17.312 5.806 4.533 87 1HB ALA 16 HB1 ALA 16 -17.658 8.036 3.404 88 2HB ALA 16 HB2 ALA 16 -18.740 7.747 4.767 89 3HB ALA 16 HB3 ALA 16 -19.333 7.566 3.116 90 H ALA 17 H ALA 17 -19.908 5.157 2.203 91 HA ALA 17 HA ALA 17 -21.986 4.490 3.982 92 1HB ALA 17 HB1 ALA 17 -21.237 3.649 1.218 93 2HB ALA 17 HB2 ALA 17 -22.725 4.394 1.799 94 3HB ALA 17 HB3 ALA 17 -22.440 2.674 2.062 95 H THR 18 H THR 18 -19.507 2.297 2.612 96 HA THR 18 HA THR 18 -20.205 0.319 4.720 97 HB THR 18 HB THR 18 -20.105 -0.677 2.545 98 HG1 THR 18 HG1 THR 18 -18.928 -2.231 3.282 99 1HG2 THR 18 1HG2 THR 18 -17.687 1.062 2.269 100 2HG2 THR 18 2HG2 THR 18 -19.000 0.782 1.126 101 3HG2 THR 18 3HG2 THR 18 -17.749 -0.441 1.350 102 H CYS 19 H CYS 19 -18.022 2.823 4.170 103 HA CYS 19 HA CYS 19 -16.083 3.480 5.320 104 1HB CYS 19 HB2 CYS 19 -17.420 2.887 7.311 105 2HB CYS 19 HB1 CYS 19 -16.909 1.209 7.158 106 H LYS 20 H LYS 20 -16.050 1.306 3.221 107 HA LYS 20 HA LYS 20 -13.355 0.257 3.936 108 1HB LYS 20 HB2 LYS 20 -15.635 -1.381 2.798 109 2HB LYS 20 HB1 LYS 20 -13.976 -1.954 2.973 110 1HG LYS 20 HG2 LYS 20 -14.908 -0.788 5.454 111 2HG LYS 20 HG1 LYS 20 -16.022 -2.044 4.913 112 1HD LYS 20 HD2 LYS 20 -13.018 -2.370 5.183 113 2HD LYS 20 HD1 LYS 20 -14.217 -2.984 6.322 114 1HE LYS 20 HE2 LYS 20 -14.668 -4.771 5.020 115 2HE LYS 20 HE1 LYS 20 -14.829 -3.765 3.580 116 1HZ LYS 20 HZ1 LYS 20 -12.932 -5.461 3.678 117 2HZ LYS 20 HZ2 LYS 20 -12.173 -4.354 4.721 118 3HZ LYS 20 HZ3 LYS 20 -12.575 -3.894 3.136 119 H LEU 21 H LEU 21 -12.224 -0.614 1.934 120 HA LEU 21 HA LEU 21 -11.843 1.254 -0.039 121 1HB LEU 21 HB2 LEU 21 -11.653 -1.746 -0.103 122 2HB LEU 21 HB1 LEU 21 -11.340 -0.817 -1.570 123 HG LEU 21 HG LEU 21 -9.919 0.566 0.369 124 1HD1 LEU 21 1HD1 LEU 21 -10.373 -2.107 1.315 125 2HD1 LEU 21 2HD1 LEU 21 -9.428 -0.821 2.066 126 3HD1 LEU 21 3HD1 LEU 21 -8.665 -1.922 0.919 127 1HD2 LEU 21 1HD2 LEU 21 -8.542 -1.627 -1.111 128 2HD2 LEU 21 2HD2 LEU 21 -8.126 0.083 -0.996 129 3HD2 LEU 21 3HD2 LEU 21 -9.425 -0.439 -2.068 130 H ARG 22 H ARG 22 -12.938 1.999 -1.818 131 HA ARG 22 HA ARG 22 -15.580 0.760 -2.358 132 1HB ARG 22 HB2 ARG 22 -16.076 2.975 -2.071 133 2HB ARG 22 HB1 ARG 22 -14.489 3.519 -2.592 134 1HG ARG 22 HG2 ARG 22 -15.066 3.359 -4.884 135 2HG ARG 22 HG1 ARG 22 -16.444 2.309 -4.550 136 1HD ARG 22 HD2 ARG 22 -16.554 4.939 -3.212 137 2HD ARG 22 HD1 ARG 22 -16.637 5.007 -4.972 138 HE ARG 22 HE ARG 22 -18.439 3.069 -3.660 139 1HH1 ARG 22 1HH2 ARG 22 -18.015 6.351 -4.544 140 2HH1 ARG 22 2HH2 ARG 22 -19.640 6.558 -5.113 141 1HH2 ARG 22 1HH1 ARG 22 -20.510 3.236 -4.633 142 2HH2 ARG 22 2HH1 ARG 22 -21.051 4.794 -5.164 143 HA PRO 23 HA PRO 23 -13.818 0.903 -6.760 144 1HB PRO 23 HB2 PRO 23 -11.348 2.028 -7.192 145 2HB PRO 23 HB1 PRO 23 -12.865 2.943 -7.249 146 1HG PRO 23 HG2 PRO 23 -10.766 2.918 -5.131 147 2HG PRO 23 HG1 PRO 23 -11.911 4.198 -5.562 148 1HD PRO 23 HD2 PRO 23 -12.149 2.441 -3.364 149 2HD PRO 23 HD1 PRO 23 -13.427 3.488 -4.011 150 H GLY 24 H GLY 24 -11.264 0.267 -7.811 151 1HA GLY 24 HA2 GLY 24 -10.801 -2.319 -6.491 152 2HA GLY 24 HA1 GLY 24 -10.091 -1.792 -8.018 153 H ALA 25 H ALA 25 -10.042 -0.175 -4.839 154 HA ALA 25 HA ALA 25 -7.162 0.272 -5.106 155 1HB ALA 25 HB1 ALA 25 -7.733 1.046 -2.563 156 2HB ALA 25 HB2 ALA 25 -9.333 1.163 -3.294 157 3HB ALA 25 HB3 ALA 25 -7.986 2.078 -3.971 158 H GLN 26 H GLN 26 -5.613 -0.464 -3.450 159 HA GLN 26 HA GLN 26 -6.256 -3.222 -2.580 160 1HB GLN 26 HB2 GLN 26 -3.834 -1.739 -3.300 161 2HB GLN 26 HB1 GLN 26 -3.634 -2.705 -1.838 162 1HG GLN 26 HG2 GLN 26 -3.081 -4.167 -3.637 163 2HG GLN 26 HG1 GLN 26 -4.709 -4.623 -3.136 164 1HE2 GLN 26 1HE2 GLN 26 -3.238 -2.204 -5.393 165 2HE2 GLN 26 2HE2 GLN 26 -4.347 -2.493 -6.646 166 H CYS 27 H CYS 27 -5.825 -0.044 -1.289 167 HA CYS 27 HA CYS 27 -6.510 -1.057 1.395 168 1HB CYS 27 HB2 CYS 27 -4.598 0.460 2.317 169 2HB CYS 27 HB1 CYS 27 -4.182 -1.142 1.715 170 H GLY 28 H GLY 28 -7.176 0.725 2.834 171 1HA GLY 28 HA2 GLY 28 -8.220 3.019 1.254 172 2HA GLY 28 HA1 GLY 28 -8.858 2.485 2.805 173 H GLU 29 H GLU 29 -5.738 2.249 3.425 174 HA GLU 29 HA GLU 29 -4.909 5.021 3.553 175 1HB GLU 29 HB2 GLU 29 -5.065 5.265 6.000 176 2HB GLU 29 HB1 GLU 29 -6.657 5.063 5.281 177 1HG GLU 29 HG2 GLU 29 -6.809 3.529 7.007 178 2HG GLU 29 HG1 GLU 29 -6.159 2.494 5.735 179 H GLY 30 H GLY 30 -3.206 4.898 5.750 180 1HA GLY 30 HA2 GLY 30 -1.525 3.294 6.694 181 2HA GLY 30 HA1 GLY 30 -1.466 2.548 5.096 182 H LEU 31 H LEU 31 0.912 3.395 6.117 183 HA LEU 31 HA LEU 31 1.434 6.102 5.031 184 1HB LEU 31 HB2 LEU 31 3.868 5.372 5.809 185 2HB LEU 31 HB1 LEU 31 2.690 5.966 6.972 186 HG LEU 31 HG LEU 31 2.046 3.635 7.482 187 1HD1 LEU 31 1HD1 LEU 31 2.477 2.165 5.806 188 2HD1 LEU 31 2HD1 LEU 31 4.100 2.100 6.465 189 3HD1 LEU 31 3HD1 LEU 31 3.745 3.185 5.143 190 1HD2 LEU 31 1HD2 LEU 31 3.967 4.872 8.646 191 2HD2 LEU 31 2HD2 LEU 31 5.048 3.893 7.660 192 3HD2 LEU 31 3HD2 LEU 31 3.952 3.118 8.803 193 H CYS 32 H CYS 32 1.715 2.781 4.225 194 HA CYS 32 HA CYS 32 3.572 3.362 1.972 195 1HB CYS 32 HB2 CYS 32 2.541 0.761 3.144 196 2HB CYS 32 HB1 CYS 32 3.593 0.859 1.732 197 H CYS 33 H CYS 33 0.570 4.010 2.267 198 HA CYS 33 HA CYS 33 -0.277 2.651 -0.258 199 1HB CYS 33 HB2 CYS 33 -1.756 3.216 2.285 200 2HB CYS 33 HB1 CYS 33 -2.651 3.230 0.767 201 H GLU 34 H GLU 34 -0.576 4.042 -1.907 202 HA GLU 34 HA GLU 34 -1.348 6.856 -1.270 203 1HB GLU 34 HB2 GLU 34 0.784 5.882 -3.192 204 2HB GLU 34 HB1 GLU 34 0.121 7.516 -3.240 205 1HG GLU 34 HG2 GLU 34 0.733 7.688 -0.762 206 2HG GLU 34 HG1 GLU 34 1.666 6.209 -0.994 207 H GLN 35 H GLN 35 -2.907 7.710 -2.655 208 HA GLN 35 HA GLN 35 -4.557 7.722 -4.325 209 1HB GLN 35 HB2 GLN 35 -2.240 6.416 -5.531 210 2HB GLN 35 HB1 GLN 35 -3.759 5.813 -6.196 211 1HG GLN 35 HG2 GLN 35 -3.613 8.748 -5.838 212 2HG GLN 35 HG1 GLN 35 -2.539 8.082 -7.068 213 1HE2 GLN 35 1HE2 GLN 35 -3.599 8.378 -9.045 214 2HE2 GLN 35 2HE2 GLN 35 -5.219 7.973 -9.342 215 H CYS 36 H CYS 36 -4.226 5.522 -2.136 216 HA CYS 36 HA CYS 36 -5.729 3.871 -1.376 217 1HB CYS 36 HB2 CYS 36 -7.077 3.897 -4.073 218 2HB CYS 36 HB1 CYS 36 -7.770 3.514 -2.496 219 H LYS 37 H LYS 37 -3.218 3.240 -2.536 220 HA LYS 37 HA LYS 37 -3.770 0.465 -3.355 221 1HB LYS 37 HB2 LYS 37 -2.160 0.701 -5.314 222 2HB LYS 37 HB1 LYS 37 -3.735 1.463 -5.537 223 1HG LYS 37 HG2 LYS 37 -2.871 3.629 -5.187 224 2HG LYS 37 HG1 LYS 37 -1.406 3.017 -4.418 225 1HD LYS 37 HD2 LYS 37 -1.057 3.835 -6.775 226 2HD LYS 37 HD1 LYS 37 -0.586 2.154 -6.525 227 1HE LYS 37 HE2 LYS 37 -2.269 1.347 -7.839 228 2HE LYS 37 HE1 LYS 37 -3.409 2.586 -7.313 229 1HZ LYS 37 HZ1 LYS 37 -2.975 3.151 -9.499 230 2HZ LYS 37 HZ2 LYS 37 -1.327 2.752 -9.394 231 3HZ LYS 37 HZ3 LYS 37 -1.911 4.160 -8.645 232 H PHE 38 H PHE 38 -1.795 -0.864 -3.239 233 HA PHE 38 HA PHE 38 -0.139 -0.168 -1.003 234 1HB PHE 38 HB2 PHE 38 0.099 -2.310 -3.128 235 2HB PHE 38 HB1 PHE 38 1.233 -2.170 -1.784 236 HD1 PHE 38 HD1 PHE 38 -0.544 -1.318 0.418 237 HD2 PHE 38 HD2 PHE 38 -1.154 -4.253 -2.659 238 HE1 PHE 38 HE1 PHE 38 -2.136 -2.525 1.886 239 HE2 PHE 38 HE2 PHE 38 -2.745 -5.461 -1.189 240 HZ PHE 38 HZ PHE 38 -3.236 -4.597 1.082 241 H SER 39 H SER 39 1.667 1.084 -0.960 242 HA SER 39 HA SER 39 2.640 2.446 -3.278 243 1HB SER 39 HB2 SER 39 3.742 2.026 -0.502 244 2HB SER 39 HB1 SER 39 4.663 2.899 -1.724 245 HG SER 39 HG SER 39 1.972 3.501 -1.065 246 H ARG 40 H ARG 40 5.336 2.238 -3.442 247 HA ARG 40 HA ARG 40 5.678 -0.534 -4.458 248 1HB ARG 40 HB2 ARG 40 7.693 1.656 -4.866 249 2HB ARG 40 HB1 ARG 40 7.278 0.311 -5.931 250 1HG ARG 40 HG2 ARG 40 4.887 1.625 -5.795 251 2HG ARG 40 HG1 ARG 40 6.019 2.972 -5.682 252 1HD ARG 40 HD2 ARG 40 6.556 0.878 -7.742 253 2HD ARG 40 HD1 ARG 40 5.241 2.014 -8.046 254 HE ARG 40 HE ARG 40 8.033 2.631 -8.244 255 1HH1 ARG 40 1HH1 ARG 40 5.041 3.955 -8.621 256 2HH1 ARG 40 2HH1 ARG 40 5.462 5.562 -8.124 257 1HH2 ARG 40 1HH2 ARG 40 8.589 4.659 -6.930 258 2HH2 ARG 40 2HH2 ARG 40 7.471 5.960 -7.167 259 H ALA 41 H ALA 41 7.232 -1.912 -3.619 260 HA ALA 41 HA ALA 41 8.118 -1.680 -0.976 261 1HB ALA 41 HB1 ALA 41 9.874 -3.033 -3.009 262 2HB ALA 41 HB2 ALA 41 8.270 -3.683 -2.677 263 3HB ALA 41 HB3 ALA 41 9.456 -3.560 -1.379 264 H GLY 42 H GLY 42 10.386 -1.353 -0.185 265 1HA GLY 42 HA2 GLY 42 12.342 -0.052 -0.041 266 2HA GLY 42 HA1 GLY 42 12.253 0.167 -1.790 267 H LYS 43 H LYS 43 9.443 0.908 0.093 268 HA LYS 43 HA LYS 43 9.808 3.781 -0.601 269 1HB LYS 43 HB2 LYS 43 7.668 2.968 -1.247 270 2HB LYS 43 HB1 LYS 43 7.432 2.145 0.290 271 1HG LYS 43 HG2 LYS 43 6.159 4.332 0.022 272 2HG LYS 43 HG1 LYS 43 7.167 4.218 1.464 273 1HD LYS 43 HD2 LYS 43 8.898 5.548 0.459 274 2HD LYS 43 HD1 LYS 43 8.125 5.466 -1.122 275 1HE LYS 43 HE2 LYS 43 6.090 6.567 0.123 276 2HE LYS 43 HE1 LYS 43 7.314 7.047 1.300 277 1HZ LYS 43 HZ1 LYS 43 7.087 7.789 -1.543 278 2HZ LYS 43 HZ2 LYS 43 8.595 7.841 -0.763 279 3HZ LYS 43 HZ3 LYS 43 7.307 8.790 -0.193 280 H ILE 44 H ILE 44 10.913 4.892 0.919 281 HA ILE 44 HA ILE 44 11.377 4.212 3.583 282 HB ILE 44 HB ILE 44 12.615 6.005 2.561 283 1HG1 ILE 44 2HG1 ILE 44 12.445 7.729 4.286 284 2HG1 ILE 44 1HG1 ILE 44 10.829 7.171 4.720 285 1HG2 ILE 44 1HG2 ILE 44 10.739 6.764 1.084 286 2HG2 ILE 44 2HG2 ILE 44 11.573 8.098 1.880 287 3HG2 ILE 44 3HG2 ILE 44 10.007 7.554 2.482 288 1HD1 ILE 44 1HD1 ILE 44 11.615 5.331 5.838 289 2HD1 ILE 44 2HD1 ILE 44 13.050 6.341 6.009 290 3HD1 ILE 44 3HD1 ILE 44 12.978 5.120 4.739 291 H CYS 45 H CYS 45 9.867 3.743 5.085 292 HA CYS 45 HA CYS 45 7.397 5.441 5.224 293 1HB CYS 45 HB2 CYS 45 6.537 3.550 6.631 294 2HB CYS 45 HB1 CYS 45 6.795 3.151 4.937 295 H ARG 46 H ARG 46 10.295 4.515 6.893 296 HA ARG 46 HA ARG 46 9.529 6.330 9.112 297 1HB ARG 46 HB2 ARG 46 8.948 3.926 9.729 298 2HB ARG 46 HB1 ARG 46 10.676 3.586 9.669 299 1HG ARG 46 HG2 ARG 46 10.888 4.379 11.762 300 2HG ARG 46 HG1 ARG 46 10.341 5.958 11.202 301 1HD ARG 46 HD2 ARG 46 8.272 3.854 11.660 302 2HD ARG 46 HD1 ARG 46 8.999 4.618 13.075 303 HE ARG 46 HE ARG 46 7.987 6.441 10.982 304 1HH1 ARG 46 1HH1 ARG 46 7.136 4.545 13.702 305 2HH1 ARG 46 2HH1 ARG 46 6.117 5.755 14.407 306 1HH2 ARG 46 1HH2 ARG 46 6.858 8.151 12.012 307 2HH2 ARG 46 2HH2 ARG 46 5.960 7.798 13.449 308 H ILE 47 H ILE 47 11.362 7.183 10.238 309 HA ILE 47 HA ILE 47 13.917 6.838 8.734 310 HB ILE 47 HB ILE 47 12.705 9.136 8.972 311 1HG1 ILE 47 2HG1 ILE 47 15.572 9.132 9.907 312 2HG1 ILE 47 1HG1 ILE 47 15.148 8.593 8.282 313 1HG2 ILE 47 1HG2 ILE 47 14.206 9.362 11.547 314 2HG2 ILE 47 2HG2 ILE 47 12.614 8.604 11.582 315 3HG2 ILE 47 3HG2 ILE 47 12.791 10.256 10.992 316 1HD1 ILE 47 1HD1 ILE 47 14.453 10.695 7.612 317 2HD1 ILE 47 2HD1 ILE 47 15.712 11.144 8.762 318 3HD1 ILE 47 3HD1 ILE 47 14.018 11.187 9.249 319 HA PRO 48 HA PRO 48 15.546 4.954 12.379 320 1HB PRO 48 HB2 PRO 48 18.203 5.109 11.688 321 2HB PRO 48 HB1 PRO 48 17.077 3.923 11.005 322 1HG PRO 48 HG2 PRO 48 18.204 6.383 9.747 323 2HG PRO 48 HG1 PRO 48 17.634 4.890 8.981 324 1HD PRO 48 HD2 PRO 48 16.208 7.323 9.120 325 2HD PRO 48 HD1 PRO 48 15.527 5.744 8.678 326 H ARG 49 H ARG 49 16.307 5.681 14.372 327 HA ARG 49 HA ARG 49 17.089 8.549 14.518 328 1HB ARG 49 HB2 ARG 49 15.835 6.602 16.422 329 2HB ARG 49 HB1 ARG 49 16.749 7.960 17.078 330 1HG ARG 49 HG2 ARG 49 14.693 8.980 16.896 331 2HG ARG 49 HG1 ARG 49 15.299 9.303 15.270 332 1HD ARG 49 HD2 ARG 49 13.118 8.400 14.952 333 2HD ARG 49 HD1 ARG 49 14.224 7.074 14.594 334 HE ARG 49 HE ARG 49 13.257 7.199 17.374 335 1HH1 ARG 49 1HH2 ARG 49 12.388 6.263 14.200 336 2HH1 ARG 49 2HH2 ARG 49 11.739 4.729 14.674 337 1HH2 ARG 49 1HH1 ARG 49 12.656 5.070 17.999 338 2HH2 ARG 49 2HH1 ARG 49 11.892 4.054 16.823 339 H GLY 50 H GLY 50 19.234 7.487 13.588 340 1HA GLY 50 HA2 GLY 50 21.414 7.872 15.054 341 2HA GLY 50 HA1 GLY 50 20.891 6.348 15.773 342 H ASP 51 H ASP 51 21.808 4.577 14.862 343 HA ASP 51 HA ASP 51 22.780 4.809 12.044 344 1HB ASP 51 HB2 ASP 51 24.293 2.886 12.700 345 2HB ASP 51 HB1 ASP 51 24.616 4.398 13.551 346 H MET 52 H MET 52 20.121 4.254 12.216 347 HA MET 52 HA MET 52 19.941 1.286 11.916 348 1HB MET 52 HB2 MET 52 18.017 3.384 12.827 349 2HB MET 52 HB1 MET 52 17.366 1.982 11.977 350 1HG MET 52 HG2 MET 52 19.361 1.236 13.976 351 2HG MET 52 HG1 MET 52 17.991 2.090 14.684 352 1HE MET 52 HE1 MET 52 19.409 -0.844 12.891 353 2HE MET 52 HE2 MET 52 18.301 -2.139 13.340 354 3HE MET 52 HE3 MET 52 19.144 -1.237 14.595 355 HA PRO 53 HA PRO 53 19.161 1.825 7.631 356 1HB PRO 53 HB2 PRO 53 17.646 -0.424 7.172 357 2HB PRO 53 HB1 PRO 53 19.399 -0.461 7.433 358 1HG PRO 53 HG2 PRO 53 17.206 -1.246 9.296 359 2HG PRO 53 HG1 PRO 53 18.877 -1.830 9.220 360 1HD PRO 53 HD2 PRO 53 17.870 0.048 11.077 361 2HD PRO 53 HD1 PRO 53 19.587 -0.279 10.754 362 H ASP 54 H ASP 54 17.730 3.281 6.764 363 HA ASP 54 HA ASP 54 15.294 4.100 7.824 364 1HB ASP 54 HB2 ASP 54 15.947 3.922 4.866 365 2HB ASP 54 HB1 ASP 54 14.749 4.985 5.605 366 H ASP 55 H ASP 55 13.215 3.309 7.828 367 HA ASP 55 HA ASP 55 12.806 0.540 7.009 368 1HB ASP 55 HB2 ASP 55 11.721 1.988 8.983 369 2HB ASP 55 HB1 ASP 55 10.499 2.285 7.746 370 H ARG 56 H ARG 56 11.817 -0.165 5.145 371 HA ARG 56 HA ARG 56 10.588 1.912 3.379 372 1HB ARG 56 HB2 ARG 56 12.066 -0.412 2.216 373 2HB ARG 56 HB1 ARG 56 11.759 1.179 1.525 374 1HG ARG 56 HG2 ARG 56 13.231 1.846 3.725 375 2HG ARG 56 HG1 ARG 56 13.949 0.294 3.291 376 1HD ARG 56 HD2 ARG 56 14.671 1.052 1.218 377 2HD ARG 56 HD1 ARG 56 13.423 2.293 1.121 378 HE ARG 56 HE ARG 56 15.324 2.796 3.266 379 1HH1 ARG 56 1HH1 ARG 56 17.135 2.534 0.962 380 2HH1 ARG 56 2HH1 ARG 56 17.097 4.112 0.248 381 1HH2 ARG 56 1HH2 ARG 56 14.201 5.075 1.895 382 2HH2 ARG 56 2HH2 ARG 56 15.435 5.552 0.777 383 H CYS 57 H CYS 57 8.776 1.286 2.250 384 HA CYS 57 HA CYS 57 7.211 -0.865 3.309 385 1HB CYS 57 HB2 CYS 57 6.820 0.453 0.617 386 2HB CYS 57 HB1 CYS 57 5.593 -0.282 1.647 387 H THR 58 H THR 58 6.407 -2.719 2.035 388 HA THR 58 HA THR 58 8.617 -3.961 0.504 389 HB THR 58 HB THR 58 7.538 -6.059 0.948 390 HG1 THR 58 HG1 THR 58 5.356 -4.381 1.458 391 1HG2 THR 58 1HG2 THR 58 8.708 -5.250 2.884 392 2HG2 THR 58 2HG2 THR 58 7.176 -5.913 3.454 393 3HG2 THR 58 3HG2 THR 58 7.380 -4.169 3.305 394 H GLY 59 H GLY 59 6.015 -2.096 -0.219 395 1HA GLY 59 HA2 GLY 59 5.290 -1.642 -2.463 396 2HA GLY 59 HA1 GLY 59 5.866 -3.237 -2.947 397 H GLN 60 H GLN 60 4.398 -4.210 -0.353 398 HA GLN 60 HA GLN 60 1.652 -4.154 -1.534 399 1HB GLN 60 HB2 GLN 60 3.223 -6.501 -0.460 400 2HB GLN 60 HB1 GLN 60 1.467 -6.542 -0.622 401 1HG GLN 60 HG2 GLN 60 2.863 -5.541 -3.013 402 2HG GLN 60 HG1 GLN 60 3.231 -7.220 -2.618 403 1HE2 GLN 60 1HE2 GLN 60 1.058 -8.486 -1.925 404 2HE2 GLN 60 2HE2 GLN 60 -0.260 -8.234 -2.964 405 H SER 61 H SER 61 3.602 -3.668 1.230 406 HA SER 61 HA SER 61 1.463 -4.216 3.171 407 1HB SER 61 HB2 SER 61 3.715 -2.547 4.059 408 2HB SER 61 HB1 SER 61 3.104 -4.057 4.728 409 HG SER 61 HG SER 61 4.776 -4.919 3.796 410 H ALA 62 H ALA 62 0.143 -2.668 4.148 411 HA ALA 62 HA ALA 62 0.015 -0.044 2.801 412 1HB ALA 62 HB1 ALA 62 -1.742 -1.370 4.884 413 2HB ALA 62 HB2 ALA 62 -2.113 -1.119 3.178 414 3HB ALA 62 HB3 ALA 62 -2.022 0.261 4.273 415 H ASP 63 H ASP 63 0.321 -1.269 6.149 416 HA ASP 63 HA ASP 63 1.175 1.423 7.041 417 1HB ASP 63 HB2 ASP 63 1.224 -0.926 8.885 418 2HB ASP 63 HB1 ASP 63 0.697 0.730 9.190 419 H CYS 64 H CYS 64 3.218 1.455 8.486 420 HA CYS 64 HA CYS 64 5.288 -0.120 7.065 421 1HB CYS 64 HB2 CYS 64 5.661 2.267 7.070 422 2HB CYS 64 HB1 CYS 64 5.583 2.321 8.822 423 HA PRO 65 HA PRO 65 5.440 -2.586 10.753 424 1HB PRO 65 HB2 PRO 65 6.950 -4.537 9.564 425 2HB PRO 65 HB1 PRO 65 5.194 -4.443 9.414 426 1HG PRO 65 HG2 PRO 65 7.307 -3.805 7.420 427 2HG PRO 65 HG1 PRO 65 5.621 -4.281 7.154 428 1HD PRO 65 HD2 PRO 65 6.656 -1.657 6.972 429 2HD PRO 65 HD1 PRO 65 4.938 -2.106 7.027 430 H ARG 66 H ARG 66 7.540 -3.847 11.700 431 HA ARG 66 HA ARG 66 9.673 -1.785 11.813 432 1HB ARG 66 HB2 ARG 66 9.096 -4.200 13.555 433 2HB ARG 66 HB1 ARG 66 10.453 -3.100 13.800 434 1HG ARG 66 HG2 ARG 66 8.433 -1.304 13.645 435 2HG ARG 66 HG1 ARG 66 7.561 -2.681 14.321 436 1HD ARG 66 HD2 ARG 66 10.148 -1.572 15.447 437 2HD ARG 66 HD1 ARG 66 8.544 -1.200 16.080 438 HE ARG 66 HE ARG 66 8.869 -4.041 15.977 439 1HH1 ARG 66 1HH1 ARG 66 10.649 -1.487 17.377 440 2HH1 ARG 66 2HH1 ARG 66 10.697 -2.190 18.960 441 1HH2 ARG 66 1HH2 ARG 66 8.638 -4.851 18.131 442 2HH2 ARG 66 2HH2 ARG 66 9.557 -4.092 19.386 443 H TYR 67 H TYR 67 11.968 -2.657 11.938 444 HA TYR 67 HA TYR 67 12.462 -4.370 9.637 445 1HB TYR 67 HB2 TYR 67 13.892 -2.392 10.848 446 2HB TYR 67 HB1 TYR 67 14.689 -3.819 11.507 447 HD1 TYR 67 HD2 TYR 67 13.283 -2.696 8.207 448 HD2 TYR 67 HD1 TYR 67 16.501 -4.629 10.297 449 HE1 TYR 67 HE2 TYR 67 14.483 -3.018 6.062 450 HE2 TYR 67 HE1 TYR 67 17.700 -4.950 8.150 451 HH TYR 67 HH TYR 67 16.456 -3.583 5.129 452 H HIS 68 H HIS 68 12.014 -4.881 13.007 453 HA HIS 68 HA HIS 68 12.118 -7.728 12.766 454 1HB HIS 68 HB2 HIS 68 14.166 -8.251 13.932 455 2HB HIS 68 HB1 HIS 68 14.584 -7.183 12.590 456 HD1 HIS 68 HD1 HIS 68 15.563 -7.592 15.888 457 HD2 HIS 68 HD2 HIS 68 14.176 -4.256 13.807 458 HE1 HIS 68 HE1 HIS 68 16.342 -5.561 17.187 Start of MODEL 8 1 1H GLY 1 HT1 GLY 1 -8.905 -5.718 14.645 2 2H GLY 1 HT2 GLY 1 -7.467 -6.343 13.990 3 3H GLY 1 HT3 GLY 1 -8.355 -7.252 15.117 4 1HA GLY 1 HA1 GLY 1 -9.026 -8.268 13.204 5 2HA GLY 1 HA2 GLY 1 -10.250 -7.008 13.358 6 H LYS 2 H LYS 2 -10.373 -7.255 10.949 7 HA LYS 2 HA LYS 2 -8.530 -5.328 9.672 8 1HB LYS 2 HB2 LYS 2 -8.033 -6.826 7.798 9 2HB LYS 2 HB1 LYS 2 -7.501 -7.566 9.309 10 1HG LYS 2 HG2 LYS 2 -8.834 -9.336 8.937 11 2HG LYS 2 HG1 LYS 2 -10.243 -8.276 8.861 12 1HD LYS 2 HD2 LYS 2 -10.395 -8.729 6.662 13 2HD LYS 2 HD1 LYS 2 -8.861 -7.889 6.432 14 1HE LYS 2 HE2 LYS 2 -7.649 -9.836 6.326 15 2HE LYS 2 HE1 LYS 2 -8.714 -10.683 7.449 16 1HZ LYS 2 HZ1 LYS 2 -9.810 -11.550 5.753 17 2HZ LYS 2 HZ2 LYS 2 -8.719 -10.820 4.675 18 3HZ LYS 2 HZ3 LYS 2 -10.147 -10.012 5.120 19 H GLU 3 H GLU 3 -11.223 -4.970 10.349 20 HA GLU 3 HA GLU 3 -12.679 -5.323 7.769 21 1HB GLU 3 HB2 GLU 3 -13.556 -4.845 10.612 22 2HB GLU 3 HB1 GLU 3 -14.636 -4.463 9.270 23 1HG GLU 3 HG2 GLU 3 -14.910 -6.671 8.679 24 2HG GLU 3 HG1 GLU 3 -13.294 -7.126 9.223 25 H CYS 4 H CYS 4 -10.853 -3.046 9.425 26 HA CYS 4 HA CYS 4 -12.304 -0.807 8.079 27 1HB CYS 4 HB2 CYS 4 -10.971 -1.040 10.716 28 2HB CYS 4 HB1 CYS 4 -10.683 0.465 9.842 29 H ASP 5 H ASP 5 -11.254 -0.316 6.209 30 HA ASP 5 HA ASP 5 -8.344 -0.788 6.001 31 1HB ASP 5 HB2 ASP 5 -10.081 -1.365 4.180 32 2HB ASP 5 HB1 ASP 5 -10.116 0.367 3.847 33 H CYS 6 H CYS 6 -10.424 1.768 6.829 34 HA CYS 6 HA CYS 6 -8.162 3.674 6.502 35 1HB CYS 6 HB2 CYS 6 -9.572 5.393 5.601 36 2HB CYS 6 HB1 CYS 6 -9.866 3.947 4.635 37 H SER 7 H SER 7 -8.412 5.590 7.942 38 HA SER 7 HA SER 7 -9.892 4.822 10.418 39 1HB SER 7 HB2 SER 7 -7.238 5.516 10.089 40 2HB SER 7 HB1 SER 7 -7.965 7.027 10.624 41 HG SER 7 HG SER 7 -7.930 4.504 11.893 42 H SER 8 H SER 8 -10.792 6.393 7.902 43 HA SER 8 HA SER 8 -12.095 8.556 9.459 44 1HB SER 8 HB2 SER 8 -10.389 8.919 7.005 45 2HB SER 8 HB1 SER 8 -11.706 10.037 7.347 46 HG SER 8 HG SER 8 -9.328 10.167 8.316 47 HA PRO 9 HA PRO 9 -15.503 7.022 7.096 48 1HB PRO 9 HB2 PRO 9 -17.315 8.938 7.867 49 2HB PRO 9 HB1 PRO 9 -16.821 7.588 8.902 50 1HG PRO 9 HG2 PRO 9 -16.052 10.463 9.075 51 2HG PRO 9 HG1 PRO 9 -16.120 9.241 10.355 52 1HD PRO 9 HD2 PRO 9 -13.773 10.156 9.056 53 2HD PRO 9 HD1 PRO 9 -13.901 8.723 10.098 54 H GLU 10 H GLU 10 -14.833 10.532 7.032 55 HA GLU 10 HA GLU 10 -16.272 11.167 4.678 56 1HB GLU 10 HB2 GLU 10 -14.865 12.651 6.396 57 2HB GLU 10 HB1 GLU 10 -13.628 12.480 5.150 58 1HG GLU 10 HG2 GLU 10 -14.678 13.960 3.816 59 2HG GLU 10 HG1 GLU 10 -16.195 13.069 3.947 60 H ASN 11 H ASN 11 -13.116 9.678 5.121 61 HA ASN 11 HA ASN 11 -11.947 9.945 2.618 62 1HB ASN 11 HB2 ASN 11 -10.943 8.683 4.501 63 2HB ASN 11 HB1 ASN 11 -12.108 7.385 4.234 64 1HD2 ASN 11 1HD2 ASN 11 -9.021 7.603 3.839 65 2HD2 ASN 11 2HD2 ASN 11 -8.784 6.990 2.274 66 HA PRO 12 HA PRO 12 -15.205 8.107 0.145 67 1HB PRO 12 HB2 PRO 12 -14.121 8.876 -2.262 68 2HB PRO 12 HB1 PRO 12 -15.078 9.953 -1.232 69 1HG PRO 12 HG2 PRO 12 -12.130 9.911 -1.676 70 2HG PRO 12 HG1 PRO 12 -13.174 11.264 -1.218 71 1HD PRO 12 HD2 PRO 12 -11.509 9.798 0.533 72 2HD PRO 12 HD1 PRO 12 -12.807 10.911 1.017 73 H CYS 13 H CYS 13 -11.758 7.549 -0.033 74 HA CYS 13 HA CYS 13 -11.798 5.432 -1.980 75 1HB CYS 13 HB2 CYS 13 -9.789 6.787 -0.867 76 2HB CYS 13 HB1 CYS 13 -9.789 5.413 0.236 77 H CYS 14 H CYS 14 -12.540 5.559 1.438 78 HA CYS 14 HA CYS 14 -12.870 2.586 1.394 79 1HB CYS 14 HB2 CYS 14 -12.401 2.535 3.745 80 2HB CYS 14 HB1 CYS 14 -11.143 3.519 3.000 81 H ASP 15 H ASP 15 -14.878 1.810 1.772 82 HA ASP 15 HA ASP 15 -17.152 3.551 1.832 83 1HB ASP 15 HB2 ASP 15 -16.900 1.009 1.144 84 2HB ASP 15 HB1 ASP 15 -17.302 0.729 2.836 85 H ALA 16 H ALA 16 -18.307 4.355 3.564 86 HA ALA 16 HA ALA 16 -17.072 4.242 6.199 87 1HB ALA 16 HB1 ALA 16 -19.842 5.273 5.941 88 2HB ALA 16 HB2 ALA 16 -18.631 6.086 4.951 89 3HB ALA 16 HB3 ALA 16 -18.433 6.013 6.702 90 H ALA 17 H ALA 17 -20.066 2.970 4.742 91 HA ALA 17 HA ALA 17 -21.159 1.793 7.080 92 1HB ALA 17 HB1 ALA 17 -22.713 0.949 5.654 93 2HB ALA 17 HB2 ALA 17 -21.493 0.210 4.618 94 3HB ALA 17 HB3 ALA 17 -21.892 1.918 4.431 95 H THR 18 H THR 18 -18.891 0.449 4.678 96 HA THR 18 HA THR 18 -18.524 -1.945 6.393 97 HB THR 18 HB THR 18 -17.566 -2.986 4.528 98 HG1 THR 18 HG1 THR 18 -16.577 -1.832 2.883 99 1HG2 THR 18 1HG2 THR 18 -19.292 -0.899 3.179 100 2HG2 THR 18 2HG2 THR 18 -19.962 -2.211 4.149 101 3HG2 THR 18 3HG2 THR 18 -19.042 -2.574 2.688 102 H CYS 19 H CYS 19 -17.105 1.099 5.795 103 HA CYS 19 HA CYS 19 -15.147 2.089 6.624 104 1HB CYS 19 HB2 CYS 19 -15.896 0.989 8.746 105 2HB CYS 19 HB1 CYS 19 -14.950 -0.433 8.301 106 H LYS 20 H LYS 20 -15.117 0.132 4.320 107 HA LYS 20 HA LYS 20 -12.169 -0.322 4.373 108 1HB LYS 20 HB2 LYS 20 -14.318 -2.337 3.748 109 2HB LYS 20 HB1 LYS 20 -12.709 -2.483 3.036 110 1HG LYS 20 HG2 LYS 20 -12.411 -1.908 5.823 111 2HG LYS 20 HG1 LYS 20 -13.541 -3.253 5.650 112 1HD LYS 20 HD2 LYS 20 -10.799 -3.087 4.363 113 2HD LYS 20 HD1 LYS 20 -11.205 -4.060 5.776 114 1HE LYS 20 HE2 LYS 20 -12.256 -5.652 4.533 115 2HE LYS 20 HE1 LYS 20 -12.983 -4.464 3.453 116 1HZ LYS 20 HZ1 LYS 20 -11.467 -5.543 2.109 117 2HZ LYS 20 HZ2 LYS 20 -10.298 -5.675 3.335 118 3HZ LYS 20 HZ3 LYS 20 -10.596 -4.172 2.598 119 H LEU 21 H LEU 21 -11.275 -0.604 2.159 120 HA LEU 21 HA LEU 21 -11.850 1.423 0.393 121 1HB LEU 21 HB2 LEU 21 -10.847 -1.371 -0.162 122 2HB LEU 21 HB1 LEU 21 -10.937 -0.137 -1.421 123 HG LEU 21 HG LEU 21 -9.672 0.755 1.094 124 1HD1 LEU 21 1HD1 LEU 21 -8.963 -1.757 0.446 125 2HD1 LEU 21 2HD1 LEU 21 -7.805 -0.585 1.077 126 3HD1 LEU 21 3HD1 LEU 21 -7.905 -0.880 -0.659 127 1HD2 LEU 21 1HD2 LEU 21 -9.768 1.455 -1.657 128 2HD2 LEU 21 2HD2 LEU 21 -8.096 1.021 -1.301 129 3HD2 LEU 21 3HD2 LEU 21 -8.896 2.284 -0.367 130 H ARG 22 H ARG 22 -13.737 1.970 -0.564 131 HA ARG 22 HA ARG 22 -15.833 -0.016 -1.001 132 1HB ARG 22 HB2 ARG 22 -16.773 2.023 -0.410 133 2HB ARG 22 HB1 ARG 22 -15.594 2.957 -1.318 134 1HG ARG 22 HG2 ARG 22 -16.643 2.193 -3.434 135 2HG ARG 22 HG1 ARG 22 -17.838 1.292 -2.502 136 1HD ARG 22 HD2 ARG 22 -18.468 3.470 -1.379 137 2HD ARG 22 HD1 ARG 22 -17.426 4.293 -2.539 138 HE ARG 22 HE ARG 22 -19.837 2.704 -3.328 139 1HH1 ARG 22 1HH2 ARG 22 -17.291 3.979 -4.906 140 2HH1 ARG 22 2HH2 ARG 22 -18.156 5.190 -5.791 141 1HH2 ARG 22 1HH1 ARG 22 -21.080 4.816 -3.963 142 2HH2 ARG 22 2HH1 ARG 22 -20.303 5.664 -5.257 143 HA PRO 23 HA PRO 23 -14.740 0.874 -5.570 144 1HB PRO 23 HB2 PRO 23 -12.423 2.265 -6.072 145 2HB PRO 23 HB1 PRO 23 -14.008 3.036 -5.879 146 1HG PRO 23 HG2 PRO 23 -11.711 2.973 -3.985 147 2HG PRO 23 HG1 PRO 23 -13.015 4.162 -4.129 148 1HD PRO 23 HD2 PRO 23 -12.832 2.109 -2.187 149 2HD PRO 23 HD1 PRO 23 -14.255 3.114 -2.521 150 H GLY 24 H GLY 24 -12.254 0.607 -6.918 151 1HA GLY 24 HA2 GLY 24 -11.401 -2.032 -5.880 152 2HA GLY 24 HA1 GLY 24 -11.045 -1.391 -7.484 153 H ALA 25 H ALA 25 -10.566 0.729 -4.799 154 HA ALA 25 HA ALA 25 -7.747 1.001 -5.393 155 1HB ALA 25 HB1 ALA 25 -8.503 2.975 -4.508 156 2HB ALA 25 HB2 ALA 25 -7.972 2.225 -3.003 157 3HB ALA 25 HB3 ALA 25 -9.675 2.178 -3.459 158 H GLN 26 H GLN 26 -5.980 0.490 -3.900 159 HA GLN 26 HA GLN 26 -6.533 -2.021 -2.410 160 1HB GLN 26 HB2 GLN 26 -4.322 -1.003 -3.984 161 2HB GLN 26 HB1 GLN 26 -3.770 -1.499 -2.383 162 1HG GLN 26 HG2 GLN 26 -3.849 -3.638 -3.069 163 2HG GLN 26 HG1 GLN 26 -5.598 -3.481 -3.232 164 1HE2 GLN 26 1HE2 GLN 26 -2.598 -2.664 -5.075 165 2HE2 GLN 26 2HE2 GLN 26 -3.275 -2.989 -6.598 166 H CYS 27 H CYS 27 -6.302 1.244 -1.750 167 HA CYS 27 HA CYS 27 -6.091 0.765 1.108 168 1HB CYS 27 HB2 CYS 27 -4.055 2.245 1.382 169 2HB CYS 27 HB1 CYS 27 -3.728 0.660 0.682 170 H GLY 28 H GLY 28 -6.898 2.528 2.268 171 1HA GLY 28 HA2 GLY 28 -7.920 4.772 0.602 172 2HA GLY 28 HA1 GLY 28 -8.588 4.281 2.156 173 H GLU 29 H GLU 29 -5.630 4.015 3.075 174 HA GLU 29 HA GLU 29 -4.611 6.733 3.029 175 1HB GLU 29 HB2 GLU 29 -5.082 7.378 5.283 176 2HB GLU 29 HB1 GLU 29 -6.615 6.859 4.590 177 1HG GLU 29 HG2 GLU 29 -6.825 5.276 6.172 178 2HG GLU 29 HG1 GLU 29 -5.283 4.567 5.693 179 H GLY 30 H GLY 30 -2.822 6.917 4.837 180 1HA GLY 30 HA2 GLY 30 -1.402 5.372 6.315 181 2HA GLY 30 HA1 GLY 30 -1.410 4.280 4.928 182 H LEU 31 H LEU 31 1.038 4.657 5.252 183 HA LEU 31 HA LEU 31 1.884 7.198 3.946 184 1HB LEU 31 HB2 LEU 31 4.226 6.125 4.741 185 2HB LEU 31 HB1 LEU 31 3.257 7.182 5.765 186 HG LEU 31 HG LEU 31 2.114 5.139 6.663 187 1HD1 LEU 31 1HD1 LEU 31 3.983 3.153 6.127 188 2HD1 LEU 31 2HD1 LEU 31 3.776 3.952 4.579 189 3HD1 LEU 31 3HD1 LEU 31 2.384 3.271 5.413 190 1HD2 LEU 31 1HD2 LEU 31 4.133 6.316 7.698 191 2HD2 LEU 31 2HD2 LEU 31 5.108 5.022 7.017 192 3HD2 LEU 31 3HD2 LEU 31 3.867 4.654 8.210 193 H CYS 32 H CYS 32 1.871 3.723 3.651 194 HA CYS 32 HA CYS 32 3.673 3.732 1.321 195 1HB CYS 32 HB2 CYS 32 1.879 1.496 2.307 196 2HB CYS 32 HB1 CYS 32 3.280 1.345 1.249 197 H CYS 33 H CYS 33 0.369 4.284 1.953 198 HA CYS 33 HA CYS 33 -0.638 3.283 -0.591 199 1HB CYS 33 HB2 CYS 33 -2.056 3.415 1.440 200 2HB CYS 33 HB1 CYS 33 -1.938 5.172 1.390 201 H GLU 34 H GLU 34 -0.437 4.313 -2.483 202 HA GLU 34 HA GLU 34 -0.229 7.298 -2.479 203 1HB GLU 34 HB2 GLU 34 1.963 6.534 -3.054 204 2HB GLU 34 HB1 GLU 34 1.324 5.261 -4.096 205 1HG GLU 34 HG2 GLU 34 0.568 6.850 -5.723 206 2HG GLU 34 HG1 GLU 34 0.854 8.204 -4.630 207 H GLN 35 H GLN 35 -2.169 7.962 -3.322 208 HA GLN 35 HA GLN 35 -3.917 8.171 -4.889 209 1HB GLN 35 HB2 GLN 35 -1.790 7.533 -6.442 210 2HB GLN 35 HB1 GLN 35 -2.788 6.103 -6.707 211 1HG GLN 35 HG2 GLN 35 -4.332 7.255 -7.908 212 2HG GLN 35 HG1 GLN 35 -4.287 8.635 -6.810 213 1HE2 GLN 35 1HE2 GLN 35 -4.340 9.276 -9.491 214 2HE2 GLN 35 2HE2 GLN 35 -2.812 9.802 -10.015 215 H CYS 36 H CYS 36 -3.902 6.248 -2.727 216 HA CYS 36 HA CYS 36 -5.238 4.497 -1.942 217 1HB CYS 36 HB2 CYS 36 -6.604 5.134 -4.549 218 2HB CYS 36 HB1 CYS 36 -7.104 3.766 -3.579 219 H LYS 37 H LYS 37 -2.831 4.137 -3.849 220 HA LYS 37 HA LYS 37 -3.402 1.272 -4.506 221 1HB LYS 37 HB2 LYS 37 -2.642 3.299 -6.271 222 2HB LYS 37 HB1 LYS 37 -1.142 2.430 -5.945 223 1HG LYS 37 HG2 LYS 37 -2.035 0.372 -6.701 224 2HG LYS 37 HG1 LYS 37 -3.694 0.965 -6.615 225 1HD LYS 37 HD2 LYS 37 -1.940 2.549 -8.374 226 2HD LYS 37 HD1 LYS 37 -2.196 0.889 -8.912 227 1HE LYS 37 HE2 LYS 37 -4.683 2.030 -7.977 228 2HE LYS 37 HE1 LYS 37 -3.968 3.060 -9.217 229 1HZ LYS 37 HZ1 LYS 37 -3.603 0.853 -10.452 230 2HZ LYS 37 HZ2 LYS 37 -5.164 1.525 -10.432 231 3HZ LYS 37 HZ3 LYS 37 -4.779 0.233 -9.399 232 H PHE 38 H PHE 38 -2.125 -0.155 -3.412 233 HA PHE 38 HA PHE 38 -0.351 0.545 -1.366 234 1HB PHE 38 HB2 PHE 38 -0.523 -1.920 -3.099 235 2HB PHE 38 HB1 PHE 38 0.683 -1.783 -1.821 236 HD1 PHE 38 HD2 PHE 38 -0.761 -0.282 0.255 237 HD2 PHE 38 HD1 PHE 38 -2.114 -3.464 -2.294 238 HE1 PHE 38 HE2 PHE 38 -2.460 -0.913 1.945 239 HE2 PHE 38 HE1 PHE 38 -3.813 -4.096 -0.600 240 HZ PHE 38 HZ PHE 38 -3.987 -2.820 1.518 241 H SER 39 H SER 39 1.556 1.631 -1.463 242 HA SER 39 HA SER 39 2.932 2.240 -3.877 243 1HB SER 39 HB2 SER 39 3.729 2.290 -0.970 244 2HB SER 39 HB1 SER 39 4.919 2.631 -2.222 245 HG SER 39 HG SER 39 2.529 3.999 -1.592 246 H ARG 40 H ARG 40 5.594 1.536 -3.576 247 HA ARG 40 HA ARG 40 5.433 -1.415 -3.976 248 1HB ARG 40 HB2 ARG 40 7.587 0.541 -4.842 249 2HB ARG 40 HB1 ARG 40 7.523 -1.173 -5.249 250 1HG ARG 40 HG2 ARG 40 5.028 -0.309 -6.028 251 2HG ARG 40 HG1 ARG 40 6.040 1.083 -6.416 252 1HD ARG 40 HD2 ARG 40 7.642 -0.807 -7.396 253 2HD ARG 40 HD1 ARG 40 6.121 -1.690 -7.531 254 HE ARG 40 HE ARG 40 5.356 -0.057 -9.127 255 1HH1 ARG 40 1HH1 ARG 40 8.502 -0.457 -9.508 256 2HH1 ARG 40 2HH1 ARG 40 8.914 1.163 -9.963 257 1HH2 ARG 40 1HH2 ARG 40 5.868 2.498 -8.988 258 2HH2 ARG 40 2HH2 ARG 40 7.423 2.834 -9.671 259 H ALA 41 H ALA 41 6.855 -2.788 -2.844 260 HA ALA 41 HA ALA 41 7.596 -2.121 -0.218 261 1HB ALA 41 HB1 ALA 41 9.284 -4.065 -1.762 262 2HB ALA 41 HB2 ALA 41 7.577 -4.433 -1.508 263 3HB ALA 41 HB3 ALA 41 8.646 -4.200 -0.123 264 H GLY 42 H GLY 42 9.946 -2.080 0.602 265 1HA GLY 42 HA2 GLY 42 12.064 -1.051 0.609 266 2HA GLY 42 HA1 GLY 42 11.993 -1.035 -1.155 267 H LYS 43 H LYS 43 9.387 0.337 0.719 268 HA LYS 43 HA LYS 43 10.062 3.004 -0.422 269 1HB LYS 43 HB2 LYS 43 7.717 1.812 -0.456 270 2HB LYS 43 HB1 LYS 43 7.602 2.443 1.185 271 1HG LYS 43 HG2 LYS 43 8.047 4.044 -1.339 272 2HG LYS 43 HG1 LYS 43 6.618 4.061 -0.302 273 1HD LYS 43 HD2 LYS 43 8.164 4.805 1.587 274 2HD LYS 43 HD1 LYS 43 9.391 5.078 0.348 275 1HE LYS 43 HE2 LYS 43 8.150 7.156 0.828 276 2HE LYS 43 HE1 LYS 43 7.865 6.620 -0.828 277 1HZ LYS 43 HZ1 LYS 43 5.713 6.443 -0.408 278 2HZ LYS 43 HZ2 LYS 43 5.974 7.103 1.136 279 3HZ LYS 43 HZ3 LYS 43 5.996 5.418 0.914 280 H ILE 44 H ILE 44 11.430 4.146 0.881 281 HA ILE 44 HA ILE 44 11.825 3.806 3.651 282 HB ILE 44 HB ILE 44 13.381 5.097 2.300 283 1HG1 ILE 44 2HG1 ILE 44 13.663 7.054 3.755 284 2HG1 ILE 44 1HG1 ILE 44 12.000 6.895 4.319 285 1HG2 ILE 44 1HG2 ILE 44 11.140 6.145 1.121 286 2HG2 ILE 44 2HG2 ILE 44 12.765 6.806 0.930 287 3HG2 ILE 44 3HG2 ILE 44 11.667 7.494 2.127 288 1HD1 ILE 44 1HD1 ILE 44 13.768 5.903 5.857 289 2HD1 ILE 44 2HD1 ILE 44 14.047 4.687 4.611 290 3HD1 ILE 44 3HD1 ILE 44 12.468 4.803 5.391 291 H CYS 45 H CYS 45 9.638 3.561 4.522 292 HA CYS 45 HA CYS 45 7.726 5.744 4.422 293 1HB CYS 45 HB2 CYS 45 6.712 4.501 6.400 294 2HB CYS 45 HB1 CYS 45 6.808 3.606 4.885 295 H ARG 46 H ARG 46 10.314 4.800 6.639 296 HA ARG 46 HA ARG 46 10.039 7.459 7.936 297 1HB ARG 46 HB2 ARG 46 9.687 4.802 9.227 298 2HB ARG 46 HB1 ARG 46 10.650 5.986 10.112 299 1HG ARG 46 HG2 ARG 46 8.850 7.594 10.060 300 2HG ARG 46 HG1 ARG 46 7.908 6.575 8.971 301 1HD ARG 46 HD2 ARG 46 7.223 5.185 10.646 302 2HD ARG 46 HD1 ARG 46 8.767 5.283 11.493 303 HE ARG 46 HE ARG 46 6.880 7.592 11.584 304 1HH1 ARG 46 1HH1 ARG 46 9.326 7.804 13.179 305 2HH1 ARG 46 2HH1 ARG 46 8.848 7.204 14.731 306 1HH2 ARG 46 1HH2 ARG 46 5.990 5.643 13.539 307 2HH2 ARG 46 2HH2 ARG 46 6.957 5.981 14.935 308 H ILE 47 H ILE 47 12.010 8.175 8.943 309 HA ILE 47 HA ILE 47 14.409 6.540 8.250 310 HB ILE 47 HB ILE 47 14.066 8.368 6.593 311 1HG1 ILE 47 2HG1 ILE 47 16.410 9.297 8.173 312 2HG1 ILE 47 1HG1 ILE 47 16.376 7.583 7.758 313 1HG2 ILE 47 1HG2 ILE 47 13.374 9.829 8.916 314 2HG2 ILE 47 2HG2 ILE 47 13.440 10.425 7.258 315 3HG2 ILE 47 3HG2 ILE 47 14.856 10.558 8.301 316 1HD1 ILE 47 1HD1 ILE 47 15.950 9.801 5.742 317 2HD1 ILE 47 2HD1 ILE 47 16.165 8.083 5.406 318 3HD1 ILE 47 3HD1 ILE 47 17.511 9.035 6.035 319 HA PRO 48 HA PRO 48 14.532 7.898 12.652 320 1HB PRO 48 HB2 PRO 48 15.038 5.388 13.649 321 2HB PRO 48 HB1 PRO 48 13.405 6.027 13.392 322 1HG PRO 48 HG2 PRO 48 14.901 4.003 11.791 323 2HG PRO 48 HG1 PRO 48 13.152 4.208 11.989 324 1HD PRO 48 HD2 PRO 48 14.671 5.030 9.747 325 2HD PRO 48 HD1 PRO 48 13.004 5.522 10.114 326 H ARG 49 H ARG 49 16.515 8.827 13.017 327 HA ARG 49 HA ARG 49 18.966 7.606 11.981 328 1HB ARG 49 HB2 ARG 49 18.182 10.198 12.582 329 2HB ARG 49 HB1 ARG 49 19.302 9.806 13.886 330 1HG ARG 49 HG2 ARG 49 20.762 10.597 12.247 331 2HG ARG 49 HG1 ARG 49 20.793 8.860 11.938 332 1HD ARG 49 HD2 ARG 49 20.275 9.451 9.804 333 2HD ARG 49 HD1 ARG 49 18.638 9.632 10.435 334 HE ARG 49 HE ARG 49 19.880 12.089 10.919 335 1HH1 ARG 49 1HH1 ARG 49 18.028 10.554 8.615 336 2HH1 ARG 49 2HH1 ARG 49 18.421 11.625 7.313 337 1HH2 ARG 49 1HH2 ARG 49 20.920 13.269 9.065 338 2HH2 ARG 49 2HH2 ARG 49 20.061 13.157 7.566 339 H GLY 50 H GLY 50 20.879 7.352 13.523 340 1HA GLY 50 HA2 GLY 50 21.711 6.820 15.738 341 2HA GLY 50 HA1 GLY 50 20.050 6.541 16.261 342 H ASP 51 H ASP 51 20.334 4.411 16.989 343 HA ASP 51 HA ASP 51 21.558 2.428 15.175 344 1HB ASP 51 HB2 ASP 51 21.083 0.844 17.065 345 2HB ASP 51 HB1 ASP 51 22.082 2.218 17.540 346 H MET 52 H MET 52 19.133 3.676 14.238 347 HA MET 52 HA MET 52 17.253 1.356 14.380 348 1HB MET 52 HB2 MET 52 16.812 4.306 14.340 349 2HB MET 52 HB1 MET 52 15.652 3.304 13.467 350 1HG MET 52 HG2 MET 52 15.358 1.920 15.523 351 2HG MET 52 HG1 MET 52 16.430 3.024 16.383 352 1HE MET 52 HE1 MET 52 13.417 1.859 15.534 353 2HE MET 52 HE2 MET 52 12.536 3.079 14.618 354 3HE MET 52 HE3 MET 52 12.260 2.919 16.350 355 HA PRO 53 HA PRO 53 18.209 1.033 10.050 356 1HB PRO 53 HB2 PRO 53 16.474 -1.036 9.537 357 2HB PRO 53 HB1 PRO 53 18.048 -1.252 10.321 358 1HG PRO 53 HG2 PRO 53 15.323 -1.321 11.530 359 2HG PRO 53 HG1 PRO 53 16.811 -2.114 12.072 360 1HD PRO 53 HD2 PRO 53 15.694 0.245 13.169 361 2HD PRO 53 HD1 PRO 53 17.332 -0.373 13.471 362 H ASP 54 H ASP 54 17.262 1.884 8.170 363 HA ASP 54 HA ASP 54 14.904 3.483 8.397 364 1HB ASP 54 HB2 ASP 54 16.178 2.403 5.864 365 2HB ASP 54 HB1 ASP 54 15.105 3.798 5.983 366 H ASP 55 H ASP 55 12.790 2.894 8.263 367 HA ASP 55 HA ASP 55 12.133 0.092 7.668 368 1HB ASP 55 HB2 ASP 55 11.091 1.573 9.522 369 2HB ASP 55 HB1 ASP 55 10.134 2.282 8.221 370 H ARG 56 H ARG 56 11.487 -0.599 5.690 371 HA ARG 56 HA ARG 56 10.656 1.463 3.693 372 1HB ARG 56 HB2 ARG 56 11.667 -1.305 3.058 373 2HB ARG 56 HB1 ARG 56 11.560 0.090 1.986 374 1HG ARG 56 HG2 ARG 56 13.130 1.010 4.086 375 2HG ARG 56 HG1 ARG 56 13.683 -0.649 3.853 376 1HD ARG 56 HD2 ARG 56 14.314 -0.262 1.625 377 2HD ARG 56 HD1 ARG 56 13.291 1.167 1.485 378 HE ARG 56 HE ARG 56 14.939 2.306 3.033 379 1HH1 ARG 56 1HH1 ARG 56 16.579 0.007 3.863 380 2HH1 ARG 56 2HH1 ARG 56 17.925 0.072 2.776 381 1HH2 ARG 56 1HH2 ARG 56 16.334 2.159 0.509 382 2HH2 ARG 56 2HH2 ARG 56 17.786 1.289 0.877 383 H CYS 57 H CYS 57 8.631 1.287 2.802 384 HA CYS 57 HA CYS 57 6.621 -0.305 3.932 385 1HB CYS 57 HB2 CYS 57 6.836 0.805 1.132 386 2HB CYS 57 HB1 CYS 57 5.387 0.023 1.749 387 H THR 58 H THR 58 5.592 -2.256 3.181 388 HA THR 58 HA THR 58 7.503 -4.212 2.125 389 HB THR 58 HB THR 58 5.928 -5.858 2.770 390 HG1 THR 58 HG1 THR 58 3.756 -5.386 3.025 391 1HG2 THR 58 1HG2 THR 58 6.605 -3.790 4.541 392 2HG2 THR 58 2HG2 THR 58 6.055 -5.408 4.972 393 3HG2 THR 58 3HG2 THR 58 4.892 -4.092 4.824 394 H GLY 59 H GLY 59 5.288 -2.050 0.786 395 1HA GLY 59 HA2 GLY 59 5.034 -1.797 -1.602 396 2HA GLY 59 HA1 GLY 59 5.411 -3.509 -1.795 397 H GLN 60 H GLN 60 3.501 -4.063 0.535 398 HA GLN 60 HA GLN 60 0.972 -3.751 -1.035 399 1HB GLN 60 HB2 GLN 60 1.605 -6.019 0.866 400 2HB GLN 60 HB1 GLN 60 0.267 -5.914 -0.277 401 1HG GLN 60 HG2 GLN 60 3.058 -5.694 -1.334 402 2HG GLN 60 HG1 GLN 60 2.458 -7.289 -0.879 403 1HE2 GLN 60 1HE2 GLN 60 0.379 -7.999 -1.954 404 2HE2 GLN 60 2HE2 GLN 60 0.009 -7.399 -3.497 405 H SER 61 H SER 61 2.583 -3.110 1.910 406 HA SER 61 HA SER 61 0.146 -2.990 3.543 407 1HB SER 61 HB2 SER 61 2.376 -3.519 4.532 408 2HB SER 61 HB1 SER 61 2.917 -1.895 4.121 409 HG SER 61 HG SER 61 0.802 -2.646 5.861 410 H ALA 62 H ALA 62 -0.438 -0.866 4.623 411 HA ALA 62 HA ALA 62 -0.191 1.355 2.635 412 1HB ALA 62 HB1 ALA 62 -2.292 1.351 4.770 413 2HB ALA 62 HB2 ALA 62 -2.499 0.271 3.392 414 3HB ALA 62 HB3 ALA 62 -2.360 2.010 3.137 415 H ASP 63 H ASP 63 -0.017 0.509 6.065 416 HA ASP 63 HA ASP 63 1.019 3.243 6.657 417 1HB ASP 63 HB2 ASP 63 0.431 1.127 8.724 418 2HB ASP 63 HB1 ASP 63 0.447 2.882 8.914 419 H CYS 64 H CYS 64 2.897 3.157 8.362 420 HA CYS 64 HA CYS 64 4.760 1.003 7.478 421 1HB CYS 64 HB2 CYS 64 5.538 3.224 6.808 422 2HB CYS 64 HB1 CYS 64 5.454 3.769 8.479 423 HA PRO 65 HA PRO 65 4.746 -0.292 11.675 424 1HB PRO 65 HB2 PRO 65 6.604 -2.268 11.298 425 2HB PRO 65 HB1 PRO 65 4.908 -2.444 10.855 426 1HG PRO 65 HG2 PRO 65 7.293 -2.068 9.124 427 2HG PRO 65 HG1 PRO 65 5.724 -2.788 8.729 428 1HD PRO 65 HD2 PRO 65 6.594 -0.174 8.046 429 2HD PRO 65 HD1 PRO 65 4.942 -0.812 7.897 430 H ARG 66 H ARG 66 7.185 -1.365 12.796 431 HA ARG 66 HA ARG 66 8.907 1.080 12.770 432 1HB ARG 66 HB2 ARG 66 8.056 -0.734 15.023 433 2HB ARG 66 HB1 ARG 66 9.508 0.259 15.153 434 1HG ARG 66 HG2 ARG 66 7.332 1.843 14.110 435 2HG ARG 66 HG1 ARG 66 6.840 1.068 15.615 436 1HD ARG 66 HD2 ARG 66 9.230 1.863 16.433 437 2HD ARG 66 HD1 ARG 66 9.045 3.038 15.131 438 HE ARG 66 HE ARG 66 7.654 4.183 16.639 439 1HH1 ARG 66 1HH2 ARG 66 5.337 2.440 16.102 440 2HH1 ARG 66 2HH2 ARG 66 4.956 1.804 17.668 441 1HH2 ARG 66 1HH1 ARG 66 8.022 2.648 19.051 442 2HH2 ARG 66 2HH1 ARG 66 6.476 1.920 19.336 443 H TYR 67 H TYR 67 8.800 -2.105 11.846 444 HA TYR 67 HA TYR 67 11.663 -2.212 11.408 445 1HB TYR 67 HB2 TYR 67 11.665 -2.846 13.773 446 2HB TYR 67 HB1 TYR 67 10.453 -4.088 13.460 447 HD1 TYR 67 HD1 TYR 67 12.988 -3.465 10.911 448 HD2 TYR 67 HD2 TYR 67 12.019 -5.804 14.381 449 HE1 TYR 67 HE1 TYR 67 14.784 -5.072 10.328 450 HE2 TYR 67 HE2 TYR 67 13.815 -7.412 13.797 451 HH TYR 67 HH TYR 67 15.400 -7.368 10.749 452 H HIS 68 H HIS 68 8.604 -4.015 11.578 453 HA HIS 68 HA HIS 68 9.490 -5.939 9.555 454 1HB HIS 68 HB2 HIS 68 7.650 -6.140 11.492 455 2HB HIS 68 HB1 HIS 68 6.596 -5.585 10.192 456 HD1 HIS 68 HD1 HIS 68 5.475 -7.664 9.355 457 HD2 HIS 68 HD2 HIS 68 9.572 -8.220 9.887 458 HE1 HIS 68 HE1 HIS 68 6.005 -9.977 8.465 Start of MODEL 9 1 1H GLY 1 HT1 GLY 1 -15.116 -7.804 14.585 2 2H GLY 1 HT2 GLY 1 -15.497 -9.459 14.631 3 3H GLY 1 HT3 GLY 1 -16.675 -8.301 15.032 4 1HA GLY 1 HA1 GLY 1 -16.514 -9.448 12.644 5 2HA GLY 1 HA2 GLY 1 -17.172 -7.833 12.905 6 H LYS 2 H LYS 2 -16.124 -8.274 10.456 7 HA LYS 2 HA LYS 2 -13.641 -6.636 10.525 8 1HB LYS 2 HB2 LYS 2 -12.718 -8.072 8.668 9 2HB LYS 2 HB1 LYS 2 -12.821 -8.893 10.225 10 1HG LYS 2 HG2 LYS 2 -14.714 -10.143 9.580 11 2HG LYS 2 HG1 LYS 2 -15.081 -9.058 8.237 12 1HD LYS 2 HD2 LYS 2 -12.408 -10.191 8.000 13 2HD LYS 2 HD1 LYS 2 -13.645 -11.448 8.076 14 1HE LYS 2 HE2 LYS 2 -14.835 -10.506 6.217 15 2HE LYS 2 HE1 LYS 2 -13.845 -9.047 6.244 16 1HZ LYS 2 HZ1 LYS 2 -12.601 -10.094 4.743 17 2HZ LYS 2 HZ2 LYS 2 -13.304 -11.606 5.064 18 3HZ LYS 2 HZ3 LYS 2 -12.022 -11.038 6.025 19 H GLU 3 H GLU 3 -15.515 -5.097 9.974 20 HA GLU 3 HA GLU 3 -16.012 -5.194 7.023 21 1HB GLU 3 HB2 GLU 3 -17.848 -4.788 9.284 22 2HB GLU 3 HB1 GLU 3 -17.989 -3.558 8.028 23 1HG GLU 3 HG2 GLU 3 -17.924 -5.638 6.406 24 2HG GLU 3 HG1 GLU 3 -18.459 -6.513 7.841 25 H CYS 4 H CYS 4 -14.124 -3.727 9.179 26 HA CYS 4 HA CYS 4 -14.468 -1.033 7.933 27 1HB CYS 4 HB2 CYS 4 -13.869 -1.892 10.681 28 2HB CYS 4 HB1 CYS 4 -12.780 -0.646 10.076 29 H ASP 5 H ASP 5 -13.067 -1.005 6.220 30 HA ASP 5 HA ASP 5 -10.430 -2.313 6.458 31 1HB ASP 5 HB2 ASP 5 -12.047 -2.205 4.357 32 2HB ASP 5 HB1 ASP 5 -11.231 -0.664 4.088 33 H CYS 6 H CYS 6 -11.823 0.739 7.003 34 HA CYS 6 HA CYS 6 -9.104 1.926 7.235 35 1HB CYS 6 HB2 CYS 6 -9.764 3.962 6.144 36 2HB CYS 6 HB1 CYS 6 -10.232 2.646 5.070 37 H SER 7 H SER 7 -9.203 3.950 8.632 38 HA SER 7 HA SER 7 -11.310 3.577 10.720 39 1HB SER 7 HB2 SER 7 -9.415 5.087 11.950 40 2HB SER 7 HB1 SER 7 -9.420 3.325 11.979 41 HG SER 7 HG SER 7 -7.865 5.110 10.480 42 H SER 8 H SER 8 -10.251 5.656 8.266 43 HA SER 8 HA SER 8 -11.488 8.026 9.586 44 1HB SER 8 HB2 SER 8 -9.379 7.656 7.531 45 2HB SER 8 HB1 SER 8 -10.457 9.031 7.300 46 HG SER 8 HG SER 8 -9.994 9.422 9.636 47 HA PRO 9 HA PRO 9 -14.863 7.032 6.779 48 1HB PRO 9 HB2 PRO 9 -16.691 8.613 8.084 49 2HB PRO 9 HB1 PRO 9 -16.261 6.977 8.610 50 1HG PRO 9 HG2 PRO 9 -15.490 9.594 9.804 51 2HG PRO 9 HG1 PRO 9 -15.610 8.003 10.572 52 1HD PRO 9 HD2 PRO 9 -13.216 9.291 9.745 53 2HD PRO 9 HD1 PRO 9 -13.380 7.598 10.259 54 H GLU 10 H GLU 10 -12.850 9.308 6.356 55 HA GLU 10 HA GLU 10 -14.614 10.946 4.638 56 1HB GLU 10 HB2 GLU 10 -12.780 12.095 6.767 57 2HB GLU 10 HB1 GLU 10 -13.506 13.046 5.472 58 1HG GLU 10 HG2 GLU 10 -15.690 11.720 6.482 59 2HG GLU 10 HG1 GLU 10 -14.728 11.992 7.935 60 H ASN 11 H ASN 11 -12.415 8.894 4.398 61 HA ASN 11 HA ASN 11 -10.355 10.550 3.018 62 1HB ASN 11 HB2 ASN 11 -8.865 8.704 3.276 63 2HB ASN 11 HB1 ASN 11 -9.705 8.852 4.817 64 1HD2 ASN 11 1HD2 ASN 11 -8.548 6.359 3.926 65 2HD2 ASN 11 2HD2 ASN 11 -9.817 5.262 3.662 66 HA PRO 12 HA PRO 12 -11.863 9.110 -0.855 67 1HB PRO 12 HB2 PRO 12 -9.625 9.673 -2.349 68 2HB PRO 12 HB1 PRO 12 -10.753 10.910 -1.771 69 1HG PRO 12 HG2 PRO 12 -8.017 10.265 -0.788 70 2HG PRO 12 HG1 PRO 12 -8.917 11.787 -0.685 71 1HD PRO 12 HD2 PRO 12 -8.567 9.899 1.410 72 2HD PRO 12 HD1 PRO 12 -9.683 11.281 1.413 73 H CYS 13 H CYS 13 -10.039 7.227 0.983 74 HA CYS 13 HA CYS 13 -9.185 5.425 -1.240 75 1HB CYS 13 HB2 CYS 13 -8.192 5.765 1.589 76 2HB CYS 13 HB1 CYS 13 -7.841 4.304 0.673 77 H CYS 14 H CYS 14 -11.185 5.662 1.642 78 HA CYS 14 HA CYS 14 -12.173 2.911 1.008 79 1HB CYS 14 HB2 CYS 14 -12.397 2.381 3.297 80 2HB CYS 14 HB1 CYS 14 -10.826 3.170 3.190 81 H ASP 15 H ASP 15 -14.407 2.647 2.245 82 HA ASP 15 HA ASP 15 -16.071 4.951 1.347 83 1HB ASP 15 HB2 ASP 15 -16.313 2.510 0.438 84 2HB ASP 15 HB1 ASP 15 -17.117 2.204 1.973 85 H ALA 16 H ALA 16 -17.158 6.100 2.881 86 HA ALA 16 HA ALA 16 -16.885 5.391 5.692 87 1HB ALA 16 HB1 ALA 16 -17.987 7.660 4.124 88 2HB ALA 16 HB2 ALA 16 -16.979 7.678 5.571 89 3HB ALA 16 HB3 ALA 16 -18.714 7.392 5.708 90 H ALA 17 H ALA 17 -19.258 4.887 3.200 91 HA ALA 17 HA ALA 17 -21.531 4.431 4.920 92 1HB ALA 17 HB1 ALA 17 -21.274 2.956 2.334 93 2HB ALA 17 HB2 ALA 17 -21.303 4.719 2.268 94 3HB ALA 17 HB3 ALA 17 -22.652 3.840 2.989 95 H THR 18 H THR 18 -19.117 2.258 3.445 96 HA THR 18 HA THR 18 -20.120 0.085 5.232 97 HB THR 18 HB THR 18 -19.062 -1.478 3.698 98 HG1 THR 18 HG1 THR 18 -17.942 -0.664 1.891 99 1HG2 THR 18 1HG2 THR 18 -20.364 -1.043 1.685 100 2HG2 THR 18 2HG2 THR 18 -20.505 0.663 2.109 101 3HG2 THR 18 3HG2 THR 18 -21.305 -0.561 3.096 102 H CYS 19 H CYS 19 -17.735 2.401 5.070 103 HA CYS 19 HA CYS 19 -15.706 2.665 6.219 104 1HB CYS 19 HB2 CYS 19 -17.097 1.854 8.125 105 2HB CYS 19 HB1 CYS 19 -16.652 0.197 7.715 106 H LYS 20 H LYS 20 -15.869 0.975 3.788 107 HA LYS 20 HA LYS 20 -13.349 -0.557 4.240 108 1HB LYS 20 HB2 LYS 20 -15.949 -1.565 3.147 109 2HB LYS 20 HB1 LYS 20 -14.449 -2.201 2.472 110 1HG LYS 20 HG2 LYS 20 -14.280 -2.107 5.355 111 2HG LYS 20 HG1 LYS 20 -15.716 -3.003 4.860 112 1HD LYS 20 HD2 LYS 20 -13.544 -3.753 3.148 113 2HD LYS 20 HD1 LYS 20 -13.010 -3.889 4.824 114 1HE LYS 20 HE2 LYS 20 -15.540 -4.949 4.956 115 2HE LYS 20 HE1 LYS 20 -15.011 -5.479 3.360 116 1HZ LYS 20 HZ1 LYS 20 -14.250 -6.480 5.866 117 2HZ LYS 20 HZ2 LYS 20 -12.877 -5.804 5.129 118 3HZ LYS 20 HZ3 LYS 20 -13.767 -7.010 4.330 119 H LEU 21 H LEU 21 -12.279 -1.067 2.077 120 HA LEU 21 HA LEU 21 -11.653 1.153 0.582 121 1HB LEU 21 HB2 LEU 21 -11.768 -1.760 -0.120 122 2HB LEU 21 HB1 LEU 21 -11.414 -0.592 -1.394 123 HG LEU 21 HG LEU 21 -9.863 0.129 0.888 124 1HD1 LEU 21 1HD1 LEU 21 -10.370 -2.661 0.837 125 2HD1 LEU 21 2HD1 LEU 21 -9.179 -1.804 1.817 126 3HD1 LEU 21 3HD1 LEU 21 -8.727 -2.437 0.235 127 1HD2 LEU 21 1HD2 LEU 21 -8.604 -1.297 -1.396 128 2HD2 LEU 21 2HD2 LEU 21 -8.220 0.280 -0.706 129 3HD2 LEU 21 3HD2 LEU 21 -9.587 0.107 -1.808 130 H ARG 22 H ARG 22 -12.670 2.426 -0.933 131 HA ARG 22 HA ARG 22 -15.420 1.605 -1.696 132 1HB ARG 22 HB2 ARG 22 -15.645 3.709 -0.796 133 2HB ARG 22 HB1 ARG 22 -14.060 4.239 -1.334 134 1HG ARG 22 HG2 ARG 22 -14.831 4.611 -3.561 135 2HG ARG 22 HG1 ARG 22 -16.310 3.691 -3.279 136 1HD ARG 22 HD2 ARG 22 -16.685 6.165 -3.257 137 2HD ARG 22 HD1 ARG 22 -17.130 5.384 -1.739 138 HE ARG 22 HE ARG 22 -14.609 6.118 -1.153 139 1HH1 ARG 22 1HH1 ARG 22 -17.135 7.807 -0.540 140 2HH1 ARG 22 2HH1 ARG 22 -16.597 9.365 -1.073 141 1HH2 ARG 22 1HH2 ARG 22 -13.888 8.117 -2.840 142 2HH2 ARG 22 2HH2 ARG 22 -14.758 9.540 -2.374 143 HA PRO 23 HA PRO 23 -13.735 2.699 -5.990 144 1HB PRO 23 HB2 PRO 23 -11.193 3.713 -6.232 145 2HB PRO 23 HB1 PRO 23 -12.633 4.722 -6.013 146 1HG PRO 23 HG2 PRO 23 -10.518 4.004 -4.027 147 2HG PRO 23 HG1 PRO 23 -11.527 5.459 -4.119 148 1HD PRO 23 HD2 PRO 23 -11.944 3.310 -2.358 149 2HD PRO 23 HD1 PRO 23 -13.139 4.551 -2.782 150 H GLY 24 H GLY 24 -11.460 2.051 -7.381 151 1HA GLY 24 HA2 GLY 24 -11.065 -0.756 -6.635 152 2HA GLY 24 HA1 GLY 24 -10.434 0.031 -8.083 153 H ALA 25 H ALA 25 -10.028 0.732 -4.599 154 HA ALA 25 HA ALA 25 -7.113 1.023 -5.064 155 1HB ALA 25 HB1 ALA 25 -8.951 1.709 -2.766 156 2HB ALA 25 HB2 ALA 25 -8.005 2.807 -3.771 157 3HB ALA 25 HB3 ALA 25 -7.196 1.763 -2.603 158 H GLN 26 H GLN 26 -5.670 0.065 -3.334 159 HA GLN 26 HA GLN 26 -6.523 -2.740 -2.884 160 1HB GLN 26 HB2 GLN 26 -4.352 -3.344 -3.217 161 2HB GLN 26 HB1 GLN 26 -4.284 -1.797 -4.050 162 1HG GLN 26 HG2 GLN 26 -3.419 -2.373 -1.203 163 2HG GLN 26 HG1 GLN 26 -2.397 -1.944 -2.569 164 1HE2 GLN 26 1HE2 GLN 26 -1.953 -0.254 -0.579 165 2HE2 GLN 26 2HE2 GLN 26 -2.783 1.217 -0.754 166 H CYS 27 H CYS 27 -5.885 0.193 -1.167 167 HA CYS 27 HA CYS 27 -6.406 -1.268 1.352 168 1HB CYS 27 HB2 CYS 27 -4.412 -0.852 2.337 169 2HB CYS 27 HB1 CYS 27 -3.815 -0.526 0.719 170 H GLY 28 H GLY 28 -7.574 -0.038 2.858 171 1HA GLY 28 HA2 GLY 28 -9.027 2.217 1.770 172 2HA GLY 28 HA1 GLY 28 -9.161 1.605 3.419 173 H GLU 29 H GLU 29 -6.210 1.855 3.835 174 HA GLU 29 HA GLU 29 -5.525 4.651 3.484 175 1HB GLU 29 HB2 GLU 29 -7.305 4.223 5.525 176 2HB GLU 29 HB1 GLU 29 -5.762 4.098 6.368 177 1HG GLU 29 HG2 GLU 29 -5.152 6.288 5.870 178 2HG GLU 29 HG1 GLU 29 -6.189 6.357 4.445 179 H GLY 30 H GLY 30 -3.459 5.154 4.724 180 1HA GLY 30 HA2 GLY 30 -1.806 3.621 6.198 181 2HA GLY 30 HA1 GLY 30 -1.714 2.770 4.659 182 H LEU 31 H LEU 31 0.631 3.881 5.608 183 HA LEU 31 HA LEU 31 0.883 6.491 4.244 184 1HB LEU 31 HB2 LEU 31 2.708 6.879 5.548 185 2HB LEU 31 HB1 LEU 31 1.925 5.706 6.581 186 HG LEU 31 HG LEU 31 3.928 4.880 4.487 187 1HD1 LEU 31 1HD1 LEU 31 5.259 6.324 5.728 188 2HD1 LEU 31 2HD1 LEU 31 5.410 4.856 6.677 189 3HD1 LEU 31 3HD1 LEU 31 4.300 6.113 7.191 190 1HD2 LEU 31 1HD2 LEU 31 4.051 2.888 5.856 191 2HD2 LEU 31 2HD2 LEU 31 2.347 3.236 5.615 192 3HD2 LEU 31 3HD2 LEU 31 3.120 3.652 7.141 193 H CYS 32 H CYS 32 1.618 3.139 3.914 194 HA CYS 32 HA CYS 32 3.435 3.544 1.634 195 1HB CYS 32 HB2 CYS 32 2.163 1.034 2.776 196 2HB CYS 32 HB1 CYS 32 3.409 1.067 1.525 197 H CYS 33 H CYS 33 0.246 3.999 2.010 198 HA CYS 33 HA CYS 33 -0.601 2.641 -0.487 199 1HB CYS 33 HB2 CYS 33 -2.112 4.105 1.694 200 2HB CYS 33 HB1 CYS 33 -2.881 3.519 0.223 201 H GLU 34 H GLU 34 0.103 3.870 -2.212 202 HA GLU 34 HA GLU 34 -0.085 6.815 -2.089 203 1HB GLU 34 HB2 GLU 34 0.954 6.673 -4.377 204 2HB GLU 34 HB1 GLU 34 1.920 5.901 -3.119 205 1HG GLU 34 HG2 GLU 34 1.813 3.937 -4.210 206 2HG GLU 34 HG1 GLU 34 0.051 3.981 -4.142 207 H GLN 35 H GLN 35 -2.038 7.686 -2.573 208 HA GLN 35 HA GLN 35 -4.086 8.029 -3.655 209 1HB GLN 35 HB2 GLN 35 -2.307 7.718 -5.645 210 2HB GLN 35 HB1 GLN 35 -3.298 6.290 -5.945 211 1HG GLN 35 HG2 GLN 35 -5.260 8.094 -5.570 212 2HG GLN 35 HG1 GLN 35 -4.004 9.170 -6.186 213 1HE2 GLN 35 1HE2 GLN 35 -6.563 8.026 -7.488 214 2HE2 GLN 35 2HE2 GLN 35 -6.013 7.367 -8.952 215 H CYS 36 H CYS 36 -3.661 5.710 -1.903 216 HA CYS 36 HA CYS 36 -4.996 3.917 -1.178 217 1HB CYS 36 HB2 CYS 36 -6.661 4.157 -3.676 218 2HB CYS 36 HB1 CYS 36 -7.155 3.635 -2.065 219 H LYS 37 H LYS 37 -2.636 3.525 -2.673 220 HA LYS 37 HA LYS 37 -3.247 0.891 -3.910 221 1HB LYS 37 HB2 LYS 37 -1.802 3.196 -5.213 222 2HB LYS 37 HB1 LYS 37 -1.431 1.532 -5.666 223 1HG LYS 37 HG2 LYS 37 -4.041 1.305 -5.883 224 2HG LYS 37 HG1 LYS 37 -3.991 3.062 -6.023 225 1HD LYS 37 HD2 LYS 37 -1.935 2.192 -7.698 226 2HD LYS 37 HD1 LYS 37 -3.238 1.035 -7.978 227 1HE LYS 37 HE2 LYS 37 -3.993 2.638 -9.421 228 2HE LYS 37 HE1 LYS 37 -4.652 3.356 -7.949 229 1HZ LYS 37 HZ1 LYS 37 -2.283 4.124 -9.495 230 2HZ LYS 37 HZ2 LYS 37 -2.276 4.392 -7.817 231 3HZ LYS 37 HZ3 LYS 37 -3.474 5.103 -8.789 232 H PHE 38 H PHE 38 -1.561 -0.628 -3.579 233 HA PHE 38 HA PHE 38 0.205 -0.111 -1.369 234 1HB PHE 38 HB2 PHE 38 -0.108 -2.346 -3.344 235 2HB PHE 38 HB1 PHE 38 1.328 -2.301 -2.327 236 HD1 PHE 38 HD1 PHE 38 0.144 -1.090 0.174 237 HD2 PHE 38 HD2 PHE 38 -1.298 -4.176 -2.445 238 HE1 PHE 38 HE1 PHE 38 -1.177 -2.058 2.033 239 HE2 PHE 38 HE2 PHE 38 -2.615 -5.143 -0.579 240 HZ PHE 38 HZ PHE 38 -2.552 -4.082 1.660 241 H SER 39 H SER 39 1.762 1.468 -1.681 242 HA SER 39 HA SER 39 3.057 2.144 -4.080 243 1HB SER 39 HB2 SER 39 3.337 2.853 -1.388 244 2HB SER 39 HB1 SER 39 4.906 2.179 -1.819 245 HG SER 39 HG SER 39 3.659 4.488 -2.657 246 H ARG 40 H ARG 40 5.526 1.639 -4.466 247 HA ARG 40 HA ARG 40 5.734 -1.292 -4.602 248 1HB ARG 40 HB2 ARG 40 7.588 0.898 -5.594 249 2HB ARG 40 HB1 ARG 40 7.797 -0.822 -5.916 250 1HG ARG 40 HG2 ARG 40 5.438 -0.780 -6.903 251 2HG ARG 40 HG1 ARG 40 5.555 0.981 -6.844 252 1HD ARG 40 HD2 ARG 40 7.221 1.063 -8.457 253 2HD ARG 40 HD1 ARG 40 7.801 -0.560 -8.087 254 HE ARG 40 HE ARG 40 5.114 -0.566 -9.205 255 1HH1 ARG 40 1HH1 ARG 40 7.904 -2.155 -9.524 256 2HH1 ARG 40 2HH1 ARG 40 8.035 -2.069 -11.249 257 1HH2 ARG 40 1HH2 ARG 40 5.529 0.304 -11.585 258 2HH2 ARG 40 2HH2 ARG 40 6.689 -0.675 -12.417 259 H ALA 41 H ALA 41 7.395 -2.505 -3.569 260 HA ALA 41 HA ALA 41 8.129 -1.903 -0.962 261 1HB ALA 41 HB1 ALA 41 8.765 -4.059 -1.473 262 2HB ALA 41 HB2 ALA 41 10.333 -3.279 -1.693 263 3HB ALA 41 HB3 ALA 41 9.313 -3.621 -3.092 264 H GLY 42 H GLY 42 10.331 -1.280 -0.111 265 1HA GLY 42 HA2 GLY 42 12.212 0.157 -0.102 266 2HA GLY 42 HA1 GLY 42 12.012 0.360 -1.843 267 H LYS 43 H LYS 43 9.205 0.833 0.141 268 HA LYS 43 HA LYS 43 9.326 3.739 -0.534 269 1HB LYS 43 HB2 LYS 43 7.255 2.758 -1.191 270 2HB LYS 43 HB1 LYS 43 7.079 1.926 0.350 271 1HG LYS 43 HG2 LYS 43 5.611 3.894 0.276 272 2HG LYS 43 HG1 LYS 43 6.866 4.113 1.496 273 1HD LYS 43 HD2 LYS 43 7.870 5.809 0.349 274 2HD LYS 43 HD1 LYS 43 7.578 5.052 -1.218 275 1HE LYS 43 HE2 LYS 43 5.131 5.669 -0.941 276 2HE LYS 43 HE1 LYS 43 5.613 6.638 0.453 277 1HZ LYS 43 HZ1 LYS 43 5.604 8.081 -1.385 278 2HZ LYS 43 HZ2 LYS 43 6.433 6.976 -2.372 279 3HZ LYS 43 HZ3 LYS 43 7.240 7.743 -1.088 280 H ILE 44 H ILE 44 10.356 4.896 0.991 281 HA ILE 44 HA ILE 44 10.863 4.202 3.643 282 HB ILE 44 HB ILE 44 10.930 6.671 2.046 283 1HG1 ILE 44 2HG1 ILE 44 12.879 5.238 2.536 284 2HG1 ILE 44 1HG1 ILE 44 13.109 6.866 3.177 285 1HG2 ILE 44 1HG2 ILE 44 10.354 6.770 5.001 286 2HG2 ILE 44 2HG2 ILE 44 9.710 7.791 3.716 287 3HG2 ILE 44 3HG2 ILE 44 11.377 7.999 4.255 288 1HD1 ILE 44 1HD1 ILE 44 12.990 4.337 4.603 289 2HD1 ILE 44 2HD1 ILE 44 11.791 5.472 5.221 290 3HD1 ILE 44 3HD1 ILE 44 13.496 5.923 5.188 291 H CYS 45 H CYS 45 9.207 3.430 4.909 292 HA CYS 45 HA CYS 45 6.732 5.082 5.181 293 1HB CYS 45 HB2 CYS 45 5.728 3.208 6.191 294 2HB CYS 45 HB1 CYS 45 6.660 2.525 4.891 295 H ARG 46 H ARG 46 9.772 4.723 6.566 296 HA ARG 46 HA ARG 46 9.019 6.399 8.840 297 1HB ARG 46 HB2 ARG 46 8.824 3.747 9.349 298 2HB ARG 46 HB1 ARG 46 10.542 3.985 9.674 299 1HG ARG 46 HG2 ARG 46 10.125 5.118 11.583 300 2HG ARG 46 HG1 ARG 46 8.890 6.113 10.810 301 1HD ARG 46 HD2 ARG 46 7.357 4.074 10.945 302 2HD ARG 46 HD1 ARG 46 8.565 3.355 12.010 303 HE ARG 46 HE ARG 46 8.202 5.508 13.422 304 1HH1 ARG 46 1HH1 ARG 46 6.003 6.309 11.377 305 2HH1 ARG 46 2HH1 ARG 46 4.584 5.895 12.283 306 1HH2 ARG 46 1HH2 ARG 46 6.302 3.987 14.613 307 2HH2 ARG 46 2HH2 ARG 46 4.753 4.580 14.111 308 H ILE 47 H ILE 47 10.576 7.928 8.666 309 HA ILE 47 HA ILE 47 13.176 7.258 7.497 310 HB ILE 47 HB ILE 47 11.746 9.430 7.191 311 1HG1 ILE 47 2HG1 ILE 47 14.577 10.151 7.720 312 2HG1 ILE 47 1HG1 ILE 47 14.313 8.784 6.636 313 1HG2 ILE 47 1HG2 ILE 47 11.983 11.135 8.761 314 2HG2 ILE 47 2HG2 ILE 47 13.444 10.431 9.454 315 3HG2 ILE 47 3HG2 ILE 47 11.871 9.718 9.805 316 1HD1 ILE 47 1HD1 ILE 47 12.596 11.159 6.177 317 2HD1 ILE 47 2HD1 ILE 47 13.352 10.075 5.011 318 3HD1 ILE 47 3HD1 ILE 47 14.304 11.346 5.779 319 HA PRO 48 HA PRO 48 15.045 6.642 11.470 320 1HB PRO 48 HB2 PRO 48 17.610 6.335 10.540 321 2HB PRO 48 HB1 PRO 48 16.371 5.072 10.419 322 1HG PRO 48 HG2 PRO 48 17.485 6.810 8.276 323 2HG PRO 48 HG1 PRO 48 16.715 5.220 8.144 324 1HD PRO 48 HD2 PRO 48 15.511 7.743 7.585 325 2HD PRO 48 HD1 PRO 48 14.688 6.171 7.664 326 H ARG 49 H ARG 49 14.886 8.739 12.444 327 HA ARG 49 HA ARG 49 16.870 10.784 11.600 328 1HB ARG 49 HB2 ARG 49 14.210 10.959 12.435 329 2HB ARG 49 HB1 ARG 49 15.137 11.526 13.824 330 1HG ARG 49 HG2 ARG 49 16.249 13.198 12.509 331 2HG ARG 49 HG1 ARG 49 15.628 12.516 11.006 332 1HD ARG 49 HD2 ARG 49 13.281 12.961 12.100 333 2HD ARG 49 HD1 ARG 49 14.177 14.105 13.102 334 HE ARG 49 HE ARG 49 14.945 14.672 10.472 335 1HH1 ARG 49 1HH1 ARG 49 12.840 15.782 12.745 336 2HH1 ARG 49 2HH1 ARG 49 11.673 16.440 11.647 337 1HH2 ARG 49 1HH2 ARG 49 13.086 14.966 8.844 338 2HH2 ARG 49 2HH2 ARG 49 11.814 15.980 9.440 339 H GLY 50 H GLY 50 18.728 9.677 12.509 340 1HA GLY 50 HA2 GLY 50 20.045 10.393 14.619 341 2HA GLY 50 HA1 GLY 50 18.756 9.567 15.493 342 H ASP 51 H ASP 51 21.112 8.955 12.866 343 HA ASP 51 HA ASP 51 22.171 6.941 12.251 344 1HB ASP 51 HB2 ASP 51 22.287 6.426 15.224 345 2HB ASP 51 HB1 ASP 51 23.483 6.014 13.996 346 H MET 52 H MET 52 19.772 6.329 11.640 347 HA MET 52 HA MET 52 19.234 3.710 12.950 348 1HB MET 52 HB2 MET 52 17.458 6.067 12.867 349 2HB MET 52 HB1 MET 52 16.699 4.562 12.350 350 1HG MET 52 HG2 MET 52 17.154 3.490 14.416 351 2HG MET 52 HG1 MET 52 18.331 4.718 14.885 352 1HE MET 52 HE1 MET 52 15.326 4.048 16.954 353 2HE MET 52 HE2 MET 52 15.559 3.164 15.448 354 3HE MET 52 HE3 MET 52 14.131 4.177 15.653 355 HA PRO 53 HA PRO 53 18.655 2.316 8.832 356 1HB PRO 53 HB2 PRO 53 16.793 0.331 9.226 357 2HB PRO 53 HB1 PRO 53 18.496 0.183 9.696 358 1HG PRO 53 HG2 PRO 53 16.105 0.624 11.424 359 2HG PRO 53 HG1 PRO 53 17.655 -0.130 11.826 360 1HD PRO 53 HD2 PRO 53 16.869 2.506 12.498 361 2HD PRO 53 HD1 PRO 53 18.515 1.848 12.604 362 H ASP 54 H ASP 54 17.292 2.656 7.025 363 HA ASP 54 HA ASP 54 14.945 4.346 7.487 364 1HB ASP 54 HB2 ASP 54 15.833 3.215 4.829 365 2HB ASP 54 HB1 ASP 54 14.948 4.710 5.137 366 H ASP 55 H ASP 55 12.839 3.667 7.457 367 HA ASP 55 HA ASP 55 12.346 0.775 7.096 368 1HB ASP 55 HB2 ASP 55 11.369 2.482 8.933 369 2HB ASP 55 HB1 ASP 55 10.114 2.652 7.704 370 H ARG 56 H ARG 56 11.855 0.084 5.076 371 HA ARG 56 HA ARG 56 10.401 1.959 3.253 372 1HB ARG 56 HB2 ARG 56 12.002 -0.463 2.435 373 2HB ARG 56 HB1 ARG 56 11.438 0.860 1.418 374 1HG ARG 56 HG2 ARG 56 12.895 2.185 3.346 375 2HG ARG 56 HG1 ARG 56 13.826 0.704 3.115 376 1HD ARG 56 HD2 ARG 56 14.248 1.156 0.869 377 2HD ARG 56 HD1 ARG 56 12.836 2.201 0.710 378 HE ARG 56 HE ARG 56 14.955 3.195 2.500 379 1HH1 ARG 56 1HH1 ARG 56 13.964 2.887 -0.767 380 2HH1 ARG 56 2HH1 ARG 56 14.431 4.495 -1.210 381 1HH2 ARG 56 1HH2 ARG 56 15.361 5.391 2.011 382 2HH2 ARG 56 2HH2 ARG 56 15.226 5.913 0.365 383 H CYS 57 H CYS 57 8.461 1.328 2.418 384 HA CYS 57 HA CYS 57 6.987 -0.787 3.614 385 1HB CYS 57 HB2 CYS 57 6.465 0.305 0.846 386 2HB CYS 57 HB1 CYS 57 5.295 -0.338 1.996 387 H THR 58 H THR 58 6.368 -2.821 2.750 388 HA THR 58 HA THR 58 8.485 -4.184 1.287 389 HB THR 58 HB THR 58 7.460 -6.143 1.973 390 HG1 THR 58 HG1 THR 58 5.172 -6.270 2.197 391 1HG2 THR 58 1HG2 THR 58 6.706 -5.864 4.201 392 2HG2 THR 58 2HG2 THR 58 5.983 -4.294 3.847 393 3HG2 THR 58 3HG2 THR 58 7.738 -4.463 3.915 394 H GLY 59 H GLY 59 6.080 -2.216 0.241 395 1HA GLY 59 HA2 GLY 59 5.438 -1.829 -2.014 396 2HA GLY 59 HA1 GLY 59 6.175 -3.367 -2.458 397 H GLN 60 H GLN 60 4.505 -4.361 0.052 398 HA GLN 60 HA GLN 60 1.933 -4.643 -1.449 399 1HB GLN 60 HB2 GLN 60 3.207 -6.761 0.306 400 2HB GLN 60 HB1 GLN 60 1.778 -6.941 -0.712 401 1HG GLN 60 HG2 GLN 60 3.022 -6.929 -2.691 402 2HG GLN 60 HG1 GLN 60 4.385 -6.090 -1.945 403 1HE2 GLN 60 1HE2 GLN 60 5.072 -8.358 -3.327 404 2HE2 GLN 60 2HE2 GLN 60 5.421 -9.638 -2.267 405 H SER 61 H SER 61 3.443 -3.571 1.362 406 HA SER 61 HA SER 61 1.106 -4.116 3.104 407 1HB SER 61 HB2 SER 61 3.562 -2.516 3.826 408 2HB SER 61 HB1 SER 61 2.449 -3.344 4.910 409 HG SER 61 HG SER 61 3.305 -5.253 4.349 410 H ALA 62 H ALA 62 0.067 -2.300 4.249 411 HA ALA 62 HA ALA 62 -0.083 0.113 2.500 412 1HB ALA 62 HB1 ALA 62 -2.265 -0.698 2.700 413 2HB ALA 62 HB2 ALA 62 -2.207 0.472 4.017 414 3HB ALA 62 HB3 ALA 62 -2.013 -1.248 4.357 415 H ASP 63 H ASP 63 -0.281 -0.714 5.980 416 HA ASP 63 HA ASP 63 0.480 2.004 6.747 417 1HB ASP 63 HB2 ASP 63 0.192 -0.554 8.357 418 2HB ASP 63 HB1 ASP 63 0.509 1.033 9.059 419 H CYS 64 H CYS 64 2.431 2.279 8.253 420 HA CYS 64 HA CYS 64 4.776 1.211 6.887 421 1HB CYS 64 HB2 CYS 64 4.890 3.490 7.673 422 2HB CYS 64 HB1 CYS 64 4.453 3.013 9.291 423 HA PRO 65 HA PRO 65 4.942 -2.259 9.671 424 1HB PRO 65 HB2 PRO 65 6.868 -3.537 8.202 425 2HB PRO 65 HB1 PRO 65 5.147 -3.630 7.826 426 1HG PRO 65 HG2 PRO 65 7.317 -2.132 6.447 427 2HG PRO 65 HG1 PRO 65 5.779 -2.727 5.800 428 1HD PRO 65 HD2 PRO 65 6.343 -0.062 6.527 429 2HD PRO 65 HD1 PRO 65 4.733 -0.740 6.217 430 H ARG 66 H ARG 66 7.330 -3.525 10.220 431 HA ARG 66 HA ARG 66 9.169 -1.304 11.012 432 1HB ARG 66 HB2 ARG 66 7.738 -3.217 12.685 433 2HB ARG 66 HB1 ARG 66 9.482 -3.293 12.942 434 1HG ARG 66 HG2 ARG 66 9.345 -1.422 14.182 435 2HG ARG 66 HG1 ARG 66 8.818 -0.545 12.745 436 1HD ARG 66 HD2 ARG 66 6.541 -0.834 13.249 437 2HD ARG 66 HD1 ARG 66 6.857 -2.187 14.334 438 HE ARG 66 HE ARG 66 6.877 -0.537 16.008 439 1HH1 ARG 66 1HH1 ARG 66 6.523 1.587 13.725 440 2HH1 ARG 66 2HH1 ARG 66 7.818 2.663 14.131 441 1HH2 ARG 66 1HH2 ARG 66 9.358 0.421 16.283 442 2HH2 ARG 66 2HH2 ARG 66 9.425 2.002 15.578 443 H TYR 67 H TYR 67 11.397 -2.222 11.616 444 HA TYR 67 HA TYR 67 12.060 -4.451 9.731 445 1HB TYR 67 HB2 TYR 67 13.113 -1.789 9.973 446 2HB TYR 67 HB1 TYR 67 14.387 -2.943 10.364 447 HD1 TYR 67 HD2 TYR 67 11.527 -3.604 8.090 448 HD2 TYR 67 HD1 TYR 67 15.721 -2.719 8.384 449 HE1 TYR 67 HE2 TYR 67 11.805 -4.119 5.680 450 HE2 TYR 67 HE1 TYR 67 15.998 -3.233 5.975 451 HH TYR 67 HH TYR 67 15.006 -4.171 4.171 452 H HIS 68 H HIS 68 11.262 -4.943 12.425 453 HA HIS 68 HA HIS 68 13.374 -6.629 13.323 454 1HB HIS 68 HB2 HIS 68 14.415 -4.406 13.871 455 2HB HIS 68 HB1 HIS 68 13.071 -4.104 14.974 456 HD1 HIS 68 HD1 HIS 68 13.911 -7.634 14.956 457 HD2 HIS 68 HD2 HIS 68 15.334 -4.262 16.953 458 HE1 HIS 68 HE1 HIS 68 15.225 -8.482 16.950 Start of MODEL 10 1 1H GLY 1 HT1 GLY 1 -8.253 -9.248 8.777 2 2H GLY 1 HT2 GLY 1 -8.894 -10.697 8.162 3 3H GLY 1 HT3 GLY 1 -7.972 -10.710 9.589 4 1HA GLY 1 HA1 GLY 1 -10.759 -10.268 9.252 5 2HA GLY 1 HA2 GLY 1 -9.848 -10.553 10.734 6 H LYS 2 H LYS 2 -9.743 -7.917 8.314 7 HA LYS 2 HA LYS 2 -9.973 -5.998 10.589 8 1HB LYS 2 HB2 LYS 2 -8.082 -6.115 8.603 9 2HB LYS 2 HB1 LYS 2 -9.224 -4.947 7.937 10 1HG LYS 2 HG2 LYS 2 -8.046 -3.465 9.215 11 2HG LYS 2 HG1 LYS 2 -9.084 -4.072 10.505 12 1HD LYS 2 HD2 LYS 2 -6.428 -5.345 9.811 13 2HD LYS 2 HD1 LYS 2 -6.587 -4.068 11.018 14 1HE LYS 2 HE2 LYS 2 -8.531 -5.668 11.911 15 2HE LYS 2 HE1 LYS 2 -7.548 -6.894 11.110 16 1HZ LYS 2 HZ1 LYS 2 -7.044 -6.329 13.540 17 2HZ LYS 2 HZ2 LYS 2 -6.321 -4.919 12.926 18 3HZ LYS 2 HZ3 LYS 2 -5.739 -6.448 12.462 19 H GLU 3 H GLU 3 -11.579 -4.407 10.543 20 HA GLU 3 HA GLU 3 -13.607 -4.702 8.361 21 1HB GLU 3 HB2 GLU 3 -13.929 -4.941 11.129 22 2HB GLU 3 HB1 GLU 3 -14.541 -3.328 10.757 23 1HG GLU 3 HG2 GLU 3 -16.457 -4.450 10.238 24 2HG GLU 3 HG1 GLU 3 -15.630 -4.754 8.710 25 H CYS 4 H CYS 4 -11.305 -2.627 9.727 26 HA CYS 4 HA CYS 4 -12.511 -0.313 8.260 27 1HB CYS 4 HB2 CYS 4 -11.132 -0.342 10.960 28 2HB CYS 4 HB1 CYS 4 -11.379 1.134 10.036 29 H ASP 5 H ASP 5 -11.205 -0.685 6.457 30 HA ASP 5 HA ASP 5 -8.358 -1.165 6.634 31 1HB ASP 5 HB2 ASP 5 -9.721 -1.845 4.678 32 2HB ASP 5 HB1 ASP 5 -10.013 -0.147 4.301 33 H CYS 6 H CYS 6 -10.357 1.717 6.499 34 HA CYS 6 HA CYS 6 -7.849 3.349 6.416 35 1HB CYS 6 HB2 CYS 6 -9.133 5.150 5.438 36 2HB CYS 6 HB1 CYS 6 -9.453 3.692 4.501 37 H SER 7 H SER 7 -8.130 5.487 7.651 38 HA SER 7 HA SER 7 -9.622 4.924 10.182 39 1HB SER 7 HB2 SER 7 -7.376 6.907 10.022 40 2HB SER 7 HB1 SER 7 -7.914 5.945 11.396 41 HG SER 7 HG SER 7 -6.338 5.218 9.183 42 H SER 8 H SER 8 -10.165 6.526 7.489 43 HA SER 8 HA SER 8 -11.308 8.886 8.919 44 1HB SER 8 HB2 SER 8 -10.592 9.182 6.049 45 2HB SER 8 HB1 SER 8 -10.514 10.364 7.353 46 HG SER 8 HG SER 8 -8.481 9.879 7.468 47 HA PRO 9 HA PRO 9 -14.998 7.280 7.033 48 1HB PRO 9 HB2 PRO 9 -16.668 9.267 7.939 49 2HB PRO 9 HB1 PRO 9 -16.098 7.930 8.953 50 1HG PRO 9 HG2 PRO 9 -15.245 10.786 8.964 51 2HG PRO 9 HG1 PRO 9 -15.202 9.597 10.276 52 1HD PRO 9 HD2 PRO 9 -12.993 10.419 8.700 53 2HD PRO 9 HD1 PRO 9 -13.036 9.021 9.796 54 H GLU 10 H GLU 10 -14.206 10.753 6.782 55 HA GLU 10 HA GLU 10 -15.876 11.257 4.499 56 1HB GLU 10 HB2 GLU 10 -14.031 12.732 6.128 57 2HB GLU 10 HB1 GLU 10 -13.612 12.988 4.433 58 1HG GLU 10 HG2 GLU 10 -15.269 14.539 4.459 59 2HG GLU 10 HG1 GLU 10 -16.359 13.155 4.373 60 H ASN 11 H ASN 11 -12.968 9.514 4.845 61 HA ASN 11 HA ASN 11 -11.678 10.033 2.366 62 1HB ASN 11 HB2 ASN 11 -10.598 8.712 4.119 63 2HB ASN 11 HB1 ASN 11 -11.824 7.453 3.953 64 1HD2 ASN 11 1HD2 ASN 11 -9.337 6.490 3.535 65 2HD2 ASN 11 2HD2 ASN 11 -8.994 6.300 1.883 66 HA PRO 12 HA PRO 12 -14.944 8.297 -0.166 67 1HB PRO 12 HB2 PRO 12 -13.873 9.167 -2.543 68 2HB PRO 12 HB1 PRO 12 -14.821 10.199 -1.461 69 1HG PRO 12 HG2 PRO 12 -11.878 10.181 -1.934 70 2HG PRO 12 HG1 PRO 12 -12.920 11.508 -1.393 71 1HD PRO 12 HD2 PRO 12 -11.232 9.939 0.256 72 2HD PRO 12 HD1 PRO 12 -12.505 11.045 0.813 73 H CYS 13 H CYS 13 -11.625 7.495 -0.025 74 HA CYS 13 HA CYS 13 -11.737 5.497 -2.185 75 1HB CYS 13 HB2 CYS 13 -9.664 6.719 -0.510 76 2HB CYS 13 HB1 CYS 13 -9.441 4.983 -0.725 77 H CYS 14 H CYS 14 -12.544 5.641 1.136 78 HA CYS 14 HA CYS 14 -12.690 2.658 1.179 79 1HB CYS 14 HB2 CYS 14 -11.961 2.594 3.465 80 2HB CYS 14 HB1 CYS 14 -10.791 3.581 2.590 81 H ASP 15 H ASP 15 -14.658 1.889 1.779 82 HA ASP 15 HA ASP 15 -16.944 3.522 1.963 83 1HB ASP 15 HB2 ASP 15 -16.698 0.919 1.700 84 2HB ASP 15 HB1 ASP 15 -16.808 0.920 3.462 85 H ALA 16 H ALA 16 -17.525 4.937 3.534 86 HA ALA 16 HA ALA 16 -16.123 5.162 6.023 87 1HB ALA 16 HB1 ALA 16 -17.313 7.086 6.247 88 2HB ALA 16 HB2 ALA 16 -18.851 6.268 5.978 89 3HB ALA 16 HB3 ALA 16 -17.862 6.758 4.604 90 H ALA 17 H ALA 17 -19.179 3.614 5.113 91 HA ALA 17 HA ALA 17 -20.040 2.990 7.777 92 1HB ALA 17 HB1 ALA 17 -20.610 1.747 5.079 93 2HB ALA 17 HB2 ALA 17 -21.660 2.786 6.042 94 3HB ALA 17 HB3 ALA 17 -21.336 1.134 6.566 95 H THR 18 H THR 18 -18.513 0.840 5.341 96 HA THR 18 HA THR 18 -17.737 -1.010 7.511 97 HB THR 18 HB THR 18 -17.457 -2.604 5.874 98 HG1 THR 18 HG1 THR 18 -16.714 -2.000 3.753 99 1HG2 THR 18 1HG2 THR 18 -19.171 -2.427 4.271 100 2HG2 THR 18 2HG2 THR 18 -18.954 -0.685 4.100 101 3HG2 THR 18 3HG2 THR 18 -19.701 -1.342 5.557 102 H CYS 19 H CYS 19 -16.543 1.796 6.764 103 HA CYS 19 HA CYS 19 -14.389 2.747 6.443 104 1HB CYS 19 HB2 CYS 19 -12.834 1.674 8.302 105 2HB CYS 19 HB1 CYS 19 -14.178 2.712 8.734 106 H LYS 20 H LYS 20 -14.783 0.457 4.650 107 HA LYS 20 HA LYS 20 -11.928 -0.431 4.537 108 1HB LYS 20 HB2 LYS 20 -14.414 -2.033 3.898 109 2HB LYS 20 HB1 LYS 20 -12.777 -2.553 3.493 110 1HG LYS 20 HG2 LYS 20 -12.278 -3.085 5.653 111 2HG LYS 20 HG1 LYS 20 -13.157 -1.700 6.300 112 1HD LYS 20 HD2 LYS 20 -14.346 -3.680 6.991 113 2HD LYS 20 HD1 LYS 20 -15.301 -2.915 5.721 114 1HE LYS 20 HE2 LYS 20 -13.578 -4.574 4.312 115 2HE LYS 20 HE1 LYS 20 -13.988 -5.529 5.736 116 1HZ LYS 20 HZ1 LYS 20 -16.378 -4.634 5.149 117 2HZ LYS 20 HZ2 LYS 20 -15.748 -6.035 4.421 118 3HZ LYS 20 HZ3 LYS 20 -15.715 -4.553 3.589 119 H LEU 21 H LEU 21 -11.117 -0.814 2.365 120 HA LEU 21 HA LEU 21 -11.599 1.203 0.509 121 1HB LEU 21 HB2 LEU 21 -10.482 -1.570 0.277 122 2HB LEU 21 HB1 LEU 21 -10.760 -0.636 -1.193 123 HG LEU 21 HG LEU 21 -9.480 0.970 0.874 124 1HD1 LEU 21 1HD1 LEU 21 -8.662 -1.620 1.042 125 2HD1 LEU 21 2HD1 LEU 21 -7.607 -0.245 1.367 126 3HD1 LEU 21 3HD1 LEU 21 -7.578 -1.026 -0.214 127 1HD2 LEU 21 1HD2 LEU 21 -7.845 0.552 -1.418 128 2HD2 LEU 21 2HD2 LEU 21 -8.854 1.952 -1.054 129 3HD2 LEU 21 3HD2 LEU 21 -9.517 0.602 -1.975 130 H ARG 22 H ARG 22 -13.456 1.707 -0.530 131 HA ARG 22 HA ARG 22 -15.484 -0.368 -1.010 132 1HB ARG 22 HB2 ARG 22 -16.238 1.816 -0.214 133 2HB ARG 22 HB1 ARG 22 -15.507 2.606 -1.609 134 1HG ARG 22 HG2 ARG 22 -17.220 0.440 -2.469 135 2HG ARG 22 HG1 ARG 22 -18.112 1.556 -1.435 136 1HD ARG 22 HD2 ARG 22 -18.171 3.108 -3.064 137 2HD ARG 22 HD1 ARG 22 -16.421 3.026 -3.264 138 HE ARG 22 HE ARG 22 -17.436 0.737 -4.530 139 1HH1 ARG 22 1HH1 ARG 22 -16.065 3.413 -5.573 140 2HH1 ARG 22 2HH1 ARG 22 -17.124 3.751 -6.901 141 1HH2 ARG 22 1HH2 ARG 22 -19.547 1.487 -5.893 142 2HH2 ARG 22 2HH2 ARG 22 -19.093 2.660 -7.084 143 HA PRO 23 HA PRO 23 -14.380 0.803 -5.515 144 1HB PRO 23 HB2 PRO 23 -12.060 2.213 -5.929 145 2HB PRO 23 HB1 PRO 23 -13.641 2.979 -5.696 146 1HG PRO 23 HG2 PRO 23 -11.347 2.809 -3.808 147 2HG PRO 23 HG1 PRO 23 -12.657 3.998 -3.877 148 1HD PRO 23 HD2 PRO 23 -12.454 1.812 -2.075 149 2HD PRO 23 HD1 PRO 23 -13.871 2.853 -2.316 150 H GLY 24 H GLY 24 -11.911 0.605 -6.872 151 1HA GLY 24 HA2 GLY 24 -11.046 -2.082 -5.992 152 2HA GLY 24 HA1 GLY 24 -10.666 -1.332 -7.542 153 H ALA 25 H ALA 25 -10.230 0.754 -4.878 154 HA ALA 25 HA ALA 25 -7.395 0.963 -5.341 155 1HB ALA 25 HB1 ALA 25 -7.718 2.118 -2.896 156 2HB ALA 25 HB2 ALA 25 -9.377 2.168 -3.496 157 3HB ALA 25 HB3 ALA 25 -8.082 2.936 -4.415 158 H GLN 26 H GLN 26 -5.670 0.151 -4.092 159 HA GLN 26 HA GLN 26 -6.300 -2.282 -2.561 160 1HB GLN 26 HB2 GLN 26 -4.108 -1.360 -4.112 161 2HB GLN 26 HB1 GLN 26 -3.515 -1.573 -2.464 162 1HG GLN 26 HG2 GLN 26 -3.541 -3.808 -2.701 163 2HG GLN 26 HG1 GLN 26 -5.247 -3.769 -3.148 164 1HE2 GLN 26 1HE2 GLN 26 -1.949 -3.506 -4.503 165 2HE2 GLN 26 2HE2 GLN 26 -2.397 -3.898 -6.093 166 H CYS 27 H CYS 27 -5.938 0.996 -1.871 167 HA CYS 27 HA CYS 27 -5.893 0.453 1.008 168 1HB CYS 27 HB2 CYS 27 -3.939 2.108 1.288 169 2HB CYS 27 HB1 CYS 27 -3.533 0.479 0.743 170 H GLY 28 H GLY 28 -6.634 2.291 2.207 171 1HA GLY 28 HA2 GLY 28 -7.898 4.368 0.491 172 2HA GLY 28 HA1 GLY 28 -8.418 3.950 2.120 173 H GLU 29 H GLU 29 -5.485 3.904 2.952 174 HA GLU 29 HA GLU 29 -4.532 6.612 2.566 175 1HB GLU 29 HB2 GLU 29 -4.915 7.400 4.863 176 2HB GLU 29 HB1 GLU 29 -6.441 7.058 4.054 177 1HG GLU 29 HG2 GLU 29 -6.951 5.369 5.473 178 2HG GLU 29 HG1 GLU 29 -5.305 4.735 5.449 179 H GLY 30 H GLY 30 -2.689 7.061 4.199 180 1HA GLY 30 HA2 GLY 30 -1.245 5.681 5.887 181 2HA GLY 30 HA1 GLY 30 -1.163 4.521 4.558 182 H LEU 31 H LEU 31 1.282 5.316 5.164 183 HA LEU 31 HA LEU 31 1.885 7.737 3.566 184 1HB LEU 31 HB2 LEU 31 3.762 8.009 4.816 185 2HB LEU 31 HB1 LEU 31 2.840 7.062 5.967 186 HG LEU 31 HG LEU 31 4.713 5.802 3.969 187 1HD1 LEU 31 1HD1 LEU 31 5.210 7.226 6.535 188 2HD1 LEU 31 2HD1 LEU 31 6.271 7.020 5.144 189 3HD1 LEU 31 3HD1 LEU 31 6.067 5.713 6.297 190 1HD2 LEU 31 1HD2 LEU 31 2.889 4.478 5.152 191 2HD2 LEU 31 2HD2 LEU 31 3.708 4.852 6.663 192 3HD2 LEU 31 3HD2 LEU 31 4.523 3.894 5.427 193 H CYS 32 H CYS 32 2.072 4.295 3.487 194 HA CYS 32 HA CYS 32 3.953 4.255 1.213 195 1HB CYS 32 HB2 CYS 32 4.059 2.363 2.729 196 2HB CYS 32 HB1 CYS 32 2.328 2.093 2.581 197 H CYS 33 H CYS 33 0.516 4.176 1.850 198 HA CYS 33 HA CYS 33 -0.297 3.226 -0.746 199 1HB CYS 33 HB2 CYS 33 -1.783 3.148 1.220 200 2HB CYS 33 HB1 CYS 33 -1.827 4.910 1.258 201 H GLU 34 H GLU 34 -0.168 4.298 -2.621 202 HA GLU 34 HA GLU 34 -0.238 7.289 -2.561 203 1HB GLU 34 HB2 GLU 34 1.410 5.383 -4.227 204 2HB GLU 34 HB1 GLU 34 1.084 7.027 -4.778 205 1HG GLU 34 HG2 GLU 34 2.116 6.573 -1.992 206 2HG GLU 34 HG1 GLU 34 3.239 6.550 -3.354 207 H GLN 35 H GLN 35 -1.968 8.110 -3.679 208 HA GLN 35 HA GLN 35 -3.816 8.179 -5.131 209 1HB GLN 35 HB2 GLN 35 -1.869 6.390 -6.541 210 2HB GLN 35 HB1 GLN 35 -3.527 6.454 -7.137 211 1HG GLN 35 HG2 GLN 35 -2.549 9.119 -6.552 212 2HG GLN 35 HG1 GLN 35 -1.477 8.292 -7.683 213 1HE2 GLN 35 1HE2 GLN 35 -4.268 10.160 -7.560 214 2HE2 GLN 35 2HE2 GLN 35 -4.954 9.707 -9.044 215 H CYS 36 H CYS 36 -3.764 6.408 -2.812 216 HA CYS 36 HA CYS 36 -5.130 4.763 -1.859 217 1HB CYS 36 HB2 CYS 36 -6.578 5.144 -4.493 218 2HB CYS 36 HB1 CYS 36 -7.164 4.086 -3.209 219 H LYS 37 H LYS 37 -2.730 4.045 -3.372 220 HA LYS 37 HA LYS 37 -3.445 1.206 -3.894 221 1HB LYS 37 HB2 LYS 37 -3.335 2.447 -6.088 222 2HB LYS 37 HB1 LYS 37 -1.644 2.803 -5.735 223 1HG LYS 37 HG2 LYS 37 -0.996 0.561 -5.908 224 2HG LYS 37 HG1 LYS 37 -2.632 -0.034 -5.611 225 1HD LYS 37 HD2 LYS 37 -1.946 1.579 -8.071 226 2HD LYS 37 HD1 LYS 37 -1.781 -0.177 -8.030 227 1HE LYS 37 HE2 LYS 37 -4.355 0.919 -7.029 228 2HE LYS 37 HE1 LYS 37 -4.070 1.060 -8.764 229 1HZ LYS 37 HZ1 LYS 37 -4.352 -1.341 -7.112 230 2HZ LYS 37 HZ2 LYS 37 -3.324 -1.416 -8.464 231 3HZ LYS 37 HZ3 LYS 37 -4.964 -1.015 -8.661 232 H PHE 38 H PHE 38 -1.956 -0.173 -3.004 233 HA PHE 38 HA PHE 38 -0.003 0.694 -1.176 234 1HB PHE 38 HB2 PHE 38 -0.168 -1.869 -2.783 235 2HB PHE 38 HB1 PHE 38 0.995 -1.615 -1.482 236 HD1 PHE 38 HD2 PHE 38 -0.418 -0.226 0.584 237 HD2 PHE 38 HD1 PHE 38 -1.867 -3.285 -2.057 238 HE1 PHE 38 HE2 PHE 38 -2.144 -0.848 2.253 239 HE2 PHE 38 HE1 PHE 38 -3.594 -3.908 -0.389 240 HZ PHE 38 HZ PHE 38 -3.731 -2.690 1.767 241 H SER 39 H SER 39 1.772 1.931 -1.629 242 HA SER 39 HA SER 39 2.890 2.305 -4.212 243 1HB SER 39 HB2 SER 39 3.906 2.749 -1.418 244 2HB SER 39 HB1 SER 39 5.010 2.933 -2.776 245 HG SER 39 HG SER 39 4.036 4.722 -3.287 246 H ARG 40 H ARG 40 5.632 1.735 -4.026 247 HA ARG 40 HA ARG 40 5.539 -1.220 -4.273 248 1HB ARG 40 HB2 ARG 40 7.887 0.535 -4.977 249 2HB ARG 40 HB1 ARG 40 7.476 -1.057 -5.614 250 1HG ARG 40 HG2 ARG 40 5.295 0.796 -6.061 251 2HG ARG 40 HG1 ARG 40 6.794 1.438 -6.733 252 1HD ARG 40 HD2 ARG 40 6.350 0.101 -8.510 253 2HD ARG 40 HD1 ARG 40 6.914 -1.212 -7.478 254 HE ARG 40 HE ARG 40 4.052 -0.538 -7.243 255 1HH1 ARG 40 1HH1 ARG 40 5.383 -3.184 -6.530 256 2HH1 ARG 40 2HH1 ARG 40 4.840 -4.193 -7.829 257 1HH2 ARG 40 1HH2 ARG 40 3.845 -1.539 -9.829 258 2HH2 ARG 40 2HH2 ARG 40 3.971 -3.261 -9.697 259 H ALA 41 H ALA 41 6.609 -2.536 -2.881 260 HA ALA 41 HA ALA 41 7.372 -1.826 -0.312 261 1HB ALA 41 HB1 ALA 41 8.941 -3.949 -1.759 262 2HB ALA 41 HB2 ALA 41 7.215 -4.181 -1.470 263 3HB ALA 41 HB3 ALA 41 8.316 -3.961 -0.109 264 H GLY 42 H GLY 42 9.714 -1.939 0.576 265 1HA GLY 42 HA2 GLY 42 11.891 -1.034 0.604 266 2HA GLY 42 HA1 GLY 42 11.862 -1.078 -1.163 267 H LYS 43 H LYS 43 9.226 0.439 0.466 268 HA LYS 43 HA LYS 43 10.145 3.071 -0.593 269 1HB LYS 43 HB2 LYS 43 7.878 2.256 -1.222 270 2HB LYS 43 HB1 LYS 43 7.429 2.264 0.483 271 1HG LYS 43 HG2 LYS 43 6.654 4.335 -0.495 272 2HG LYS 43 HG1 LYS 43 8.023 4.708 0.554 273 1HD LYS 43 HD2 LYS 43 9.524 4.671 -1.423 274 2HD LYS 43 HD1 LYS 43 8.128 4.372 -2.459 275 1HE LYS 43 HE2 LYS 43 7.903 6.687 -0.615 276 2HE LYS 43 HE1 LYS 43 9.065 6.857 -1.929 277 1HZ LYS 43 HZ1 LYS 43 7.448 6.704 -3.511 278 2HZ LYS 43 HZ2 LYS 43 6.568 7.467 -2.273 279 3HZ LYS 43 HZ3 LYS 43 6.399 5.797 -2.534 280 H ILE 44 H ILE 44 11.200 4.332 0.841 281 HA ILE 44 HA ILE 44 11.437 3.922 3.591 282 HB ILE 44 HB ILE 44 11.993 6.124 1.725 283 1HG1 ILE 44 2HG1 ILE 44 13.699 4.575 2.531 284 2HG1 ILE 44 1HG1 ILE 44 14.063 6.200 3.117 285 1HG2 ILE 44 1HG2 ILE 44 11.327 6.720 4.617 286 2HG2 ILE 44 2HG2 ILE 44 10.731 7.543 3.176 287 3HG2 ILE 44 3HG2 ILE 44 12.412 7.740 3.671 288 1HD1 ILE 44 1HD1 ILE 44 13.289 3.786 4.629 289 2HD1 ILE 44 2HD1 ILE 44 12.449 5.259 5.119 290 3HD1 ILE 44 3HD1 ILE 44 14.212 5.195 5.154 291 H CYS 45 H CYS 45 9.844 3.778 5.032 292 HA CYS 45 HA CYS 45 7.537 5.690 4.869 293 1HB CYS 45 HB2 CYS 45 6.199 4.040 5.913 294 2HB CYS 45 HB1 CYS 45 7.058 3.193 4.657 295 H ARG 46 H ARG 46 10.313 4.733 6.614 296 HA ARG 46 HA ARG 46 9.816 6.758 8.661 297 1HB ARG 46 HB2 ARG 46 9.357 3.903 9.203 298 2HB ARG 46 HB1 ARG 46 10.494 4.658 10.322 299 1HG ARG 46 HG2 ARG 46 8.763 6.554 10.528 300 2HG ARG 46 HG1 ARG 46 7.633 5.439 9.758 301 1HD ARG 46 HD2 ARG 46 7.906 3.825 11.528 302 2HD ARG 46 HD1 ARG 46 9.234 4.746 12.234 303 HE ARG 46 HE ARG 46 7.638 6.325 13.090 304 1HH1 ARG 46 1HH2 ARG 46 6.222 4.197 10.798 305 2HH1 ARG 46 2HH2 ARG 46 4.617 4.365 11.427 306 1HH2 ARG 46 1HH1 ARG 46 5.575 6.401 14.062 307 2HH2 ARG 46 2HH1 ARG 46 4.251 5.613 13.273 308 H ILE 47 H ILE 47 11.767 7.630 9.213 309 HA ILE 47 HA ILE 47 14.190 5.986 8.637 310 HB ILE 47 HB ILE 47 13.691 7.897 7.010 311 1HG1 ILE 47 2HG1 ILE 47 15.929 6.833 7.313 312 2HG1 ILE 47 1HG1 ILE 47 16.045 8.542 6.890 313 1HG2 ILE 47 1HG2 ILE 47 13.010 9.434 8.960 314 2HG2 ILE 47 2HG2 ILE 47 14.039 10.136 7.712 315 3HG2 ILE 47 3HG2 ILE 47 14.738 9.630 9.251 316 1HD1 ILE 47 1HD1 ILE 47 17.559 8.314 8.684 317 2HD1 ILE 47 2HD1 ILE 47 16.480 7.238 9.573 318 3HD1 ILE 47 3HD1 ILE 47 16.104 8.957 9.447 319 HA PRO 48 HA PRO 48 14.744 7.042 12.975 320 1HB PRO 48 HB2 PRO 48 16.633 5.096 13.422 321 2HB PRO 48 HB1 PRO 48 14.890 4.781 13.420 322 1HG PRO 48 HG2 PRO 48 16.920 4.085 11.355 323 2HG PRO 48 HG1 PRO 48 15.369 3.308 11.709 324 1HD PRO 48 HD2 PRO 48 15.890 5.104 9.573 325 2HD PRO 48 HD1 PRO 48 14.291 4.550 10.116 326 H ARG 49 H ARG 49 16.344 8.335 13.963 327 HA ARG 49 HA ARG 49 18.622 9.114 12.232 328 1HB ARG 49 HB2 ARG 49 17.452 10.300 14.761 329 2HB ARG 49 HB1 ARG 49 18.932 10.901 14.013 330 1HG ARG 49 HG2 ARG 49 17.824 11.748 12.168 331 2HG ARG 49 HG1 ARG 49 16.517 10.566 12.279 332 1HD ARG 49 HD2 ARG 49 16.430 12.074 14.672 333 2HD ARG 49 HD1 ARG 49 16.628 13.236 13.362 334 HE ARG 49 HE ARG 49 14.474 12.642 12.561 335 1HH1 ARG 49 1HH2 ARG 49 14.707 9.696 12.541 336 2HH1 ARG 49 2HH2 ARG 49 13.607 9.214 13.790 337 1HH2 ARG 49 1HH1 ARG 49 13.445 12.362 15.231 338 2HH2 ARG 49 2HH1 ARG 49 12.892 10.723 15.313 339 H GLY 50 H GLY 50 20.684 8.455 12.661 340 1HA GLY 50 HA2 GLY 50 22.377 8.135 14.536 341 2HA GLY 50 HA1 GLY 50 21.166 7.092 15.283 342 H ASP 51 H ASP 51 21.422 4.949 14.875 343 HA ASP 51 HA ASP 51 22.554 4.122 12.250 344 1HB ASP 51 HB2 ASP 51 24.186 4.205 14.407 345 2HB ASP 51 HB1 ASP 51 23.492 2.596 14.620 346 H MET 52 H MET 52 19.935 3.902 12.581 347 HA MET 52 HA MET 52 19.478 1.084 13.477 348 1HB MET 52 HB2 MET 52 18.000 3.560 13.948 349 2HB MET 52 HB1 MET 52 16.977 2.292 13.271 350 1HG MET 52 HG2 MET 52 17.490 0.789 15.043 351 2HG MET 52 HG1 MET 52 18.850 1.773 15.585 352 1HE MET 52 HE1 MET 52 14.826 1.617 17.192 353 2HE MET 52 HE2 MET 52 15.788 0.515 16.210 354 3HE MET 52 HE3 MET 52 14.750 1.704 15.427 355 HA PRO 53 HA PRO 53 18.141 0.088 9.426 356 1HB PRO 53 HB2 PRO 53 16.017 -1.585 9.929 357 2HB PRO 53 HB1 PRO 53 17.710 -2.047 10.183 358 1HG PRO 53 HG2 PRO 53 15.633 -1.343 12.204 359 2HG PRO 53 HG1 PRO 53 17.063 -2.374 12.377 360 1HD PRO 53 HD2 PRO 53 16.828 0.298 13.285 361 2HD PRO 53 HD1 PRO 53 18.337 -0.630 13.148 362 H ASP 54 H ASP 54 17.022 1.337 7.979 363 HA ASP 54 HA ASP 54 14.799 3.001 8.831 364 1HB ASP 54 HB2 ASP 54 15.763 2.422 6.012 365 2HB ASP 54 HB1 ASP 54 14.763 3.782 6.523 366 H ASP 55 H ASP 55 12.601 2.769 8.259 367 HA ASP 55 HA ASP 55 11.806 -0.005 7.596 368 1HB ASP 55 HB2 ASP 55 10.407 2.390 8.758 369 2HB ASP 55 HB1 ASP 55 9.458 1.085 8.046 370 H ARG 56 H ARG 56 11.062 -0.552 5.602 371 HA ARG 56 HA ARG 56 10.313 1.669 3.743 372 1HB ARG 56 HB2 ARG 56 11.508 -0.935 2.818 373 2HB ARG 56 HB1 ARG 56 11.432 0.608 1.969 374 1HG ARG 56 HG2 ARG 56 12.821 1.160 4.343 375 2HG ARG 56 HG1 ARG 56 13.475 -0.376 3.774 376 1HD ARG 56 HD2 ARG 56 13.946 0.582 1.585 377 2HD ARG 56 HD1 ARG 56 13.173 2.097 2.047 378 HE ARG 56 HE ARG 56 15.044 2.516 3.571 379 1HH1 ARG 56 1HH2 ARG 56 16.427 2.080 0.970 380 2HH1 ARG 56 2HH2 ARG 56 17.639 0.914 1.383 381 1HH2 ARG 56 1HH1 ARG 56 16.126 0.002 4.365 382 2HH2 ARG 56 2HH1 ARG 56 17.470 -0.262 3.304 383 H CYS 57 H CYS 57 8.465 1.340 2.499 384 HA CYS 57 HA CYS 57 6.409 -0.299 3.447 385 1HB CYS 57 HB2 CYS 57 6.218 1.536 1.683 386 2HB CYS 57 HB1 CYS 57 6.768 0.342 0.514 387 H THR 58 H THR 58 5.591 -2.342 2.752 388 HA THR 58 HA THR 58 7.702 -4.133 1.674 389 HB THR 58 HB THR 58 6.618 -5.906 2.767 390 HG1 THR 58 HG1 THR 58 4.563 -5.636 1.987 391 1HG2 THR 58 1HG2 THR 58 5.602 -3.904 4.695 392 2HG2 THR 58 2HG2 THR 58 7.288 -3.703 4.215 393 3HG2 THR 58 3HG2 THR 58 6.751 -5.220 4.937 394 H GLY 59 H GLY 59 5.519 -2.264 0.313 395 1HA GLY 59 HA2 GLY 59 4.718 -2.382 -1.923 396 2HA GLY 59 HA1 GLY 59 5.106 -4.101 -1.943 397 H GLN 60 H GLN 60 3.567 -4.060 0.823 398 HA GLN 60 HA GLN 60 0.831 -4.080 -0.383 399 1HB GLN 60 HB2 GLN 60 1.763 -6.086 1.675 400 2HB GLN 60 HB1 GLN 60 0.314 -6.149 0.671 401 1HG GLN 60 HG2 GLN 60 1.636 -6.487 -1.330 402 2HG GLN 60 HG1 GLN 60 3.134 -6.226 -0.434 403 1HE2 GLN 60 1HE2 GLN 60 0.303 -8.147 0.641 404 2HE2 GLN 60 2HE2 GLN 60 1.140 -9.623 0.724 405 H SER 61 H SER 61 2.825 -2.849 2.026 406 HA SER 61 HA SER 61 0.566 -2.535 3.945 407 1HB SER 61 HB2 SER 61 3.501 -1.855 4.283 408 2HB SER 61 HB1 SER 61 2.267 -1.775 5.539 409 HG SER 61 HG SER 61 1.967 -4.025 5.265 410 H ALA 62 H ALA 62 -0.639 -0.728 3.590 411 HA ALA 62 HA ALA 62 0.346 1.543 2.083 412 1HB ALA 62 HB1 ALA 62 -2.152 0.867 3.570 413 2HB ALA 62 HB2 ALA 62 -1.952 1.428 1.912 414 3HB ALA 62 HB3 ALA 62 -1.825 2.569 3.251 415 H ASP 63 H ASP 63 -0.258 0.929 5.539 416 HA ASP 63 HA ASP 63 0.793 3.570 6.279 417 1HB ASP 63 HB2 ASP 63 -0.124 1.138 7.830 418 2HB ASP 63 HB1 ASP 63 0.679 2.487 8.634 419 H CYS 64 H CYS 64 2.743 3.681 7.747 420 HA CYS 64 HA CYS 64 4.929 2.246 6.527 421 1HB CYS 64 HB2 CYS 64 5.362 4.467 7.344 422 2HB CYS 64 HB1 CYS 64 4.772 4.062 8.932 423 HA PRO 65 HA PRO 65 4.434 -1.261 9.205 424 1HB PRO 65 HB2 PRO 65 6.098 -2.833 7.706 425 2HB PRO 65 HB1 PRO 65 4.397 -2.580 7.314 426 1HG PRO 65 HG2 PRO 65 6.828 -1.506 5.988 427 2HG PRO 65 HG1 PRO 65 5.200 -1.732 5.328 428 1HD PRO 65 HD2 PRO 65 6.336 0.715 6.195 429 2HD PRO 65 HD1 PRO 65 4.636 0.428 5.787 430 H ARG 66 H ARG 66 5.824 -2.211 10.777 431 HA ARG 66 HA ARG 66 8.395 -0.799 11.161 432 1HB ARG 66 HB2 ARG 66 6.736 -2.633 12.903 433 2HB ARG 66 HB1 ARG 66 8.357 -2.112 13.362 434 1HG ARG 66 HG2 ARG 66 7.595 0.271 13.053 435 2HG ARG 66 HG1 ARG 66 5.957 -0.342 12.828 436 1HD ARG 66 HD2 ARG 66 6.092 -1.435 15.062 437 2HD ARG 66 HD1 ARG 66 7.688 -0.719 15.289 438 HE ARG 66 HE ARG 66 5.988 1.423 14.683 439 1HH1 ARG 66 1HH1 ARG 66 5.122 -1.164 16.648 440 2HH1 ARG 66 2HH1 ARG 66 4.862 -0.217 18.076 441 1HH2 ARG 66 1HH2 ARG 66 6.128 2.700 16.694 442 2HH2 ARG 66 2HH2 ARG 66 5.430 1.970 18.102 443 H TYR 67 H TYR 67 10.348 -2.083 11.689 444 HA TYR 67 HA TYR 67 10.352 -4.677 10.199 445 1HB TYR 67 HB2 TYR 67 11.739 -2.693 9.320 446 2HB TYR 67 HB1 TYR 67 12.779 -2.955 10.721 447 HD1 TYR 67 HD2 TYR 67 11.038 -5.105 8.175 448 HD2 TYR 67 HD1 TYR 67 14.668 -4.235 10.300 449 HE1 TYR 67 HE2 TYR 67 12.178 -6.960 6.988 450 HE2 TYR 67 HE1 TYR 67 15.808 -6.090 9.113 451 HH TYR 67 HH TYR 67 14.518 -7.586 6.377 452 H HIS 68 H HIS 68 10.966 -3.127 13.228 453 HA HIS 68 HA HIS 68 11.199 -5.553 14.672 454 1HB HIS 68 HB2 HIS 68 13.524 -5.100 13.251 455 2HB HIS 68 HB1 HIS 68 13.900 -4.406 14.828 456 HD1 HIS 68 HD1 HIS 68 15.325 -6.984 13.997 457 HD2 HIS 68 HD2 HIS 68 11.735 -6.949 16.114 458 HE1 HIS 68 HE1 HIS 68 15.170 -9.218 15.176 Start of MODEL 11 1 1H GLY 1 HT1 GLY 1 -15.693 -13.124 10.034 2 2H GLY 1 HT2 GLY 1 -16.244 -12.516 8.546 3 3H GLY 1 HT3 GLY 1 -16.318 -11.551 9.943 4 1HA GLY 1 HA1 GLY 1 -13.695 -12.183 9.837 5 2HA GLY 1 HA2 GLY 1 -14.127 -12.008 8.136 6 H LYS 2 H LYS 2 -12.507 -10.096 8.719 7 HA LYS 2 HA LYS 2 -13.709 -7.810 10.067 8 1HB LYS 2 HB2 LYS 2 -11.190 -8.278 8.489 9 2HB LYS 2 HB1 LYS 2 -11.693 -6.634 8.880 10 1HG LYS 2 HG2 LYS 2 -10.989 -6.861 11.008 11 2HG LYS 2 HG1 LYS 2 -11.929 -8.340 11.208 12 1HD LYS 2 HD2 LYS 2 -10.078 -9.541 9.932 13 2HD LYS 2 HD1 LYS 2 -9.123 -8.069 10.109 14 1HE LYS 2 HE2 LYS 2 -8.465 -9.302 11.985 15 2HE LYS 2 HE1 LYS 2 -9.747 -8.288 12.646 16 1HZ LYS 2 HZ1 LYS 2 -10.685 -10.748 11.485 17 2HZ LYS 2 HZ2 LYS 2 -11.062 -10.041 12.983 18 3HZ LYS 2 HZ3 LYS 2 -9.656 -10.980 12.812 19 H GLU 3 H GLU 3 -14.891 -6.179 9.132 20 HA GLU 3 HA GLU 3 -15.250 -6.300 6.161 21 1HB GLU 3 HB2 GLU 3 -17.191 -6.641 8.084 22 2HB GLU 3 HB1 GLU 3 -17.331 -4.919 7.724 23 1HG GLU 3 HG2 GLU 3 -17.022 -6.134 5.221 24 2HG GLU 3 HG1 GLU 3 -18.114 -7.203 6.102 25 H CYS 4 H CYS 4 -13.319 -4.715 7.922 26 HA CYS 4 HA CYS 4 -14.025 -2.066 6.751 27 1HB CYS 4 HB2 CYS 4 -14.528 -2.035 9.184 28 2HB CYS 4 HB1 CYS 4 -12.859 -2.495 9.520 29 H ASP 5 H ASP 5 -12.319 -1.076 5.729 30 HA ASP 5 HA ASP 5 -9.653 -2.413 5.983 31 1HB ASP 5 HB2 ASP 5 -10.880 -2.513 3.735 32 2HB ASP 5 HB1 ASP 5 -10.596 -0.777 3.620 33 H CYS 6 H CYS 6 -11.415 0.559 6.240 34 HA CYS 6 HA CYS 6 -8.833 2.003 6.711 35 1HB CYS 6 HB2 CYS 6 -9.882 4.038 5.973 36 2HB CYS 6 HB1 CYS 6 -10.224 2.814 4.751 37 H SER 7 H SER 7 -8.590 2.865 8.746 38 HA SER 7 HA SER 7 -10.724 2.362 10.707 39 1HB SER 7 HB2 SER 7 -8.256 1.970 11.160 40 2HB SER 7 HB1 SER 7 -8.057 3.719 11.173 41 HG SER 7 HG SER 7 -8.434 2.941 13.266 42 H SER 8 H SER 8 -10.477 4.681 8.509 43 HA SER 8 HA SER 8 -11.335 6.829 10.403 44 1HB SER 8 HB2 SER 8 -10.581 7.741 7.732 45 2HB SER 8 HB1 SER 8 -10.041 8.319 9.305 46 HG SER 8 HG SER 8 -8.520 6.711 9.357 47 HA PRO 9 HA PRO 9 -15.172 6.303 8.194 48 1HB PRO 9 HB2 PRO 9 -16.565 8.178 9.647 49 2HB PRO 9 HB1 PRO 9 -16.233 6.538 10.230 50 1HG PRO 9 HG2 PRO 9 -14.973 9.110 11.053 51 2HG PRO 9 HG1 PRO 9 -15.152 7.605 11.969 52 1HD PRO 9 HD2 PRO 9 -12.791 8.498 10.680 53 2HD PRO 9 HD1 PRO 9 -13.080 6.868 11.324 54 H GLU 10 H GLU 10 -13.509 9.365 8.709 55 HA GLU 10 HA GLU 10 -15.105 10.740 6.642 56 1HB GLU 10 HB2 GLU 10 -12.754 11.582 8.358 57 2HB GLU 10 HB1 GLU 10 -13.453 12.617 7.112 58 1HG GLU 10 HG2 GLU 10 -15.701 12.270 8.261 59 2HG GLU 10 HG1 GLU 10 -14.805 11.548 9.597 60 H ASN 11 H ASN 11 -13.939 8.522 5.548 61 HA ASN 11 HA ASN 11 -11.771 9.699 3.865 62 1HB ASN 11 HB2 ASN 11 -10.791 8.070 5.420 63 2HB ASN 11 HB1 ASN 11 -11.963 6.856 4.905 64 1HD2 ASN 11 1HD2 ASN 11 -9.954 5.584 4.266 65 2HD2 ASN 11 2HD2 ASN 11 -9.244 5.904 2.759 66 HA PRO 12 HA PRO 12 -14.805 8.466 0.816 67 1HB PRO 12 HB2 PRO 12 -13.486 9.595 -1.316 68 2HB PRO 12 HB1 PRO 12 -14.493 10.516 -0.187 69 1HG PRO 12 HG2 PRO 12 -11.519 10.407 -0.388 70 2HG PRO 12 HG1 PRO 12 -12.556 11.709 0.220 71 1HD PRO 12 HD2 PRO 12 -11.105 9.881 1.812 72 2HD PRO 12 HD1 PRO 12 -12.411 10.943 2.377 73 H CYS 13 H CYS 13 -11.365 7.781 0.776 74 HA CYS 13 HA CYS 13 -11.306 6.054 -1.507 75 1HB CYS 13 HB2 CYS 13 -9.338 7.008 -0.065 76 2HB CYS 13 HB1 CYS 13 -9.595 5.569 0.918 77 H CYS 14 H CYS 14 -12.628 5.660 1.657 78 HA CYS 14 HA CYS 14 -13.150 2.791 1.017 79 1HB CYS 14 HB2 CYS 14 -12.806 2.171 3.317 80 2HB CYS 14 HB1 CYS 14 -11.392 3.096 2.813 81 H ASP 15 H ASP 15 -15.257 2.264 1.097 82 HA ASP 15 HA ASP 15 -17.292 4.209 1.553 83 1HB ASP 15 HB2 ASP 15 -17.307 1.835 0.346 84 2HB ASP 15 HB1 ASP 15 -17.869 1.297 1.927 85 H ALA 16 H ALA 16 -17.869 5.054 3.497 86 HA ALA 16 HA ALA 16 -16.978 3.960 6.005 87 1HB ALA 16 HB1 ALA 16 -19.328 5.828 5.777 88 2HB ALA 16 HB2 ALA 16 -17.704 6.400 5.393 89 3HB ALA 16 HB3 ALA 16 -18.065 5.784 7.006 90 H ALA 17 H ALA 17 -20.027 3.770 4.210 91 HA ALA 17 HA ALA 17 -21.688 2.620 6.157 92 1HB ALA 17 HB1 ALA 17 -21.699 1.516 3.364 93 2HB ALA 17 HB2 ALA 17 -22.112 3.211 3.622 94 3HB ALA 17 HB3 ALA 17 -23.063 1.944 4.398 95 H THR 18 H THR 18 -19.332 0.997 4.020 96 HA THR 18 HA THR 18 -19.735 -1.510 5.573 97 HB THR 18 HB THR 18 -18.711 -2.659 3.770 98 HG1 THR 18 HG1 THR 18 -17.630 -0.128 3.225 99 1HG2 THR 18 1HG2 THR 18 -19.765 -0.754 1.879 100 2HG2 THR 18 2HG2 THR 18 -20.823 -0.847 3.286 101 3HG2 THR 18 3HG2 THR 18 -20.436 -2.307 2.375 102 H CYS 19 H CYS 19 -17.555 1.129 5.174 103 HA CYS 19 HA CYS 19 -15.655 1.660 6.470 104 1HB CYS 19 HB2 CYS 19 -16.864 -0.045 8.113 105 2HB CYS 19 HB1 CYS 19 -15.543 -1.102 7.621 106 H LYS 20 H LYS 20 -15.861 -0.158 3.902 107 HA LYS 20 HA LYS 20 -12.994 -1.031 3.992 108 1HB LYS 20 HB2 LYS 20 -15.319 -2.207 2.442 109 2HB LYS 20 HB1 LYS 20 -13.635 -2.681 2.210 110 1HG LYS 20 HG2 LYS 20 -14.493 -2.700 5.025 111 2HG LYS 20 HG1 LYS 20 -15.358 -3.855 4.009 112 1HD LYS 20 HD2 LYS 20 -12.507 -3.834 3.412 113 2HD LYS 20 HD1 LYS 20 -12.812 -4.208 5.109 114 1HE LYS 20 HE2 LYS 20 -13.159 -6.326 4.357 115 2HE LYS 20 HE1 LYS 20 -14.739 -5.713 3.871 116 1HZ LYS 20 HZ1 LYS 20 -13.575 -5.027 1.735 117 2HZ LYS 20 HZ2 LYS 20 -13.868 -6.685 1.960 118 3HZ LYS 20 HZ3 LYS 20 -12.313 -6.050 2.218 119 H LEU 21 H LEU 21 -12.328 -1.326 1.448 120 HA LEU 21 HA LEU 21 -12.201 1.373 0.427 121 1HB LEU 21 HB2 LEU 21 -11.267 -1.316 -0.526 122 2HB LEU 21 HB1 LEU 21 -11.246 0.052 -1.638 123 HG LEU 21 HG LEU 21 -10.177 0.752 0.986 124 1HD1 LEU 21 1HD1 LEU 21 -9.531 -1.704 0.779 125 2HD1 LEU 21 2HD1 LEU 21 -8.184 -0.578 0.941 126 3HD1 LEU 21 3HD1 LEU 21 -8.590 -1.247 -0.640 127 1HD2 LEU 21 1HD2 LEU 21 -8.236 0.997 -1.035 128 2HD2 LEU 21 2HD2 LEU 21 -9.311 2.264 -0.446 129 3HD2 LEU 21 3HD2 LEU 21 -9.779 1.286 -1.838 130 H ARG 22 H ARG 22 -13.796 2.365 -0.718 131 HA ARG 22 HA ARG 22 -16.056 0.853 -1.752 132 1HB ARG 22 HB2 ARG 22 -15.650 3.491 -0.997 133 2HB ARG 22 HB1 ARG 22 -15.801 3.591 -2.753 134 1HG ARG 22 HG2 ARG 22 -17.757 1.761 -1.604 135 2HG ARG 22 HG1 ARG 22 -17.908 3.386 -0.933 136 1HD ARG 22 HD2 ARG 22 -17.986 4.323 -3.216 137 2HD ARG 22 HD1 ARG 22 -17.837 2.698 -3.888 138 HE ARG 22 HE ARG 22 -20.118 2.338 -3.381 139 1HH1 ARG 22 1HH2 ARG 22 -19.696 5.552 -3.245 140 2HH1 ARG 22 2HH2 ARG 22 -20.854 5.884 -2.000 141 1HH2 ARG 22 1HH1 ARG 22 -21.259 2.556 -1.119 142 2HH2 ARG 22 2HH1 ARG 22 -21.738 4.188 -0.797 143 HA PRO 23 HA PRO 23 -14.176 2.049 -5.969 144 1HB PRO 23 HB2 PRO 23 -11.713 3.268 -5.971 145 2HB PRO 23 HB1 PRO 23 -13.244 4.157 -5.898 146 1HG PRO 23 HG2 PRO 23 -11.260 3.661 -3.731 147 2HG PRO 23 HG1 PRO 23 -12.430 4.979 -3.902 148 1HD PRO 23 HD2 PRO 23 -12.703 2.709 -2.224 149 2HD PRO 23 HD1 PRO 23 -13.978 3.878 -2.621 150 H GLY 24 H GLY 24 -11.667 1.617 -7.077 151 1HA GLY 24 HA2 GLY 24 -11.089 -1.131 -6.143 152 2HA GLY 24 HA1 GLY 24 -10.539 -0.420 -7.660 153 H ALA 25 H ALA 25 -10.203 1.481 -4.800 154 HA ALA 25 HA ALA 25 -7.346 1.674 -5.107 155 1HB ALA 25 HB1 ALA 25 -7.992 3.559 -4.016 156 2HB ALA 25 HB2 ALA 25 -7.842 2.576 -2.559 157 3HB ALA 25 HB3 ALA 25 -9.417 2.779 -3.328 158 H GLN 26 H GLN 26 -5.709 0.882 -3.649 159 HA GLN 26 HA GLN 26 -6.262 -1.798 -2.645 160 1HB GLN 26 HB2 GLN 26 -3.802 -0.032 -2.577 161 2HB GLN 26 HB1 GLN 26 -3.838 -1.667 -1.915 162 1HG GLN 26 HG2 GLN 26 -4.897 -1.375 -4.667 163 2HG GLN 26 HG1 GLN 26 -3.162 -1.121 -4.486 164 1HE2 GLN 26 1HE2 GLN 26 -1.876 -2.982 -4.323 165 2HE2 GLN 26 2HE2 GLN 26 -2.480 -4.547 -4.066 166 H CYS 27 H CYS 27 -5.310 1.309 -1.133 167 HA CYS 27 HA CYS 27 -6.567 0.299 1.368 168 1HB CYS 27 HB2 CYS 27 -4.672 0.498 2.597 169 2HB CYS 27 HB1 CYS 27 -3.832 0.492 1.055 170 H GLY 28 H GLY 28 -7.412 1.995 2.748 171 1HA GLY 28 HA2 GLY 28 -8.197 4.379 1.194 172 2HA GLY 28 HA1 GLY 28 -8.936 3.848 2.699 173 H GLU 29 H GLU 29 -5.829 3.521 3.452 174 HA GLU 29 HA GLU 29 -4.979 6.283 3.699 175 1HB GLU 29 HB2 GLU 29 -5.294 6.551 6.078 176 2HB GLU 29 HB1 GLU 29 -6.851 6.150 5.364 177 1HG GLU 29 HG2 GLU 29 -6.649 3.842 6.056 178 2HG GLU 29 HG1 GLU 29 -4.994 4.104 6.607 179 H GLY 30 H GLY 30 -2.889 6.455 4.726 180 1HA GLY 30 HA2 GLY 30 -1.349 4.777 6.163 181 2HA GLY 30 HA1 GLY 30 -1.366 3.924 4.620 182 H LEU 31 H LEU 31 1.101 4.638 5.247 183 HA LEU 31 HA LEU 31 1.600 7.297 3.985 184 1HB LEU 31 HB2 LEU 31 4.053 6.515 4.839 185 2HB LEU 31 HB1 LEU 31 2.939 7.456 5.828 186 HG LEU 31 HG LEU 31 2.006 5.264 6.679 187 1HD1 LEU 31 1HD1 LEU 31 2.631 3.433 5.512 188 2HD1 LEU 31 2HD1 LEU 31 4.214 3.591 6.260 189 3HD1 LEU 31 3HD1 LEU 31 3.912 4.318 4.691 190 1HD2 LEU 31 1HD2 LEU 31 4.955 5.766 7.179 191 2HD2 LEU 31 2HD2 LEU 31 3.833 4.949 8.268 192 3HD2 LEU 31 3HD2 LEU 31 3.639 6.665 7.931 193 H CYS 32 H CYS 32 2.122 3.867 3.777 194 HA CYS 32 HA CYS 32 3.840 4.097 1.392 195 1HB CYS 32 HB2 CYS 32 2.572 1.688 2.735 196 2HB CYS 32 HB1 CYS 32 3.728 1.615 1.405 197 H CYS 33 H CYS 33 0.784 4.847 1.772 198 HA CYS 33 HA CYS 33 -0.288 3.275 -0.511 199 1HB CYS 33 HB2 CYS 33 -1.530 4.935 1.672 200 2HB CYS 33 HB1 CYS 33 -2.440 4.555 0.213 201 H GLU 34 H GLU 34 0.489 4.286 -2.357 202 HA GLU 34 HA GLU 34 0.362 7.242 -2.541 203 1HB GLU 34 HB2 GLU 34 1.821 5.082 -3.934 204 2HB GLU 34 HB1 GLU 34 1.230 6.362 -4.996 205 1HG GLU 34 HG2 GLU 34 2.232 7.802 -2.876 206 2HG GLU 34 HG1 GLU 34 3.359 6.449 -2.965 207 H GLN 35 H GLN 35 -1.536 8.091 -3.258 208 HA GLN 35 HA GLN 35 -3.545 8.295 -4.455 209 1HB GLN 35 HB2 GLN 35 -1.685 6.924 -6.232 210 2HB GLN 35 HB1 GLN 35 -3.350 6.421 -6.524 211 1HG GLN 35 HG2 GLN 35 -3.631 8.326 -7.695 212 2HG GLN 35 HG1 GLN 35 -3.489 9.201 -6.170 213 1HE2 GLN 35 1HE2 GLN 35 -2.369 10.979 -7.324 214 2HE2 GLN 35 2HE2 GLN 35 -0.746 10.809 -7.788 215 H CYS 36 H CYS 36 -3.271 6.403 -2.283 216 HA CYS 36 HA CYS 36 -4.560 4.731 -1.270 217 1HB CYS 36 HB2 CYS 36 -6.227 5.589 -3.583 218 2HB CYS 36 HB1 CYS 36 -6.621 4.042 -2.846 219 H LYS 37 H LYS 37 -2.294 4.014 -2.845 220 HA LYS 37 HA LYS 37 -3.151 1.296 -3.731 221 1HB LYS 37 HB2 LYS 37 -2.667 2.838 -5.682 222 2HB LYS 37 HB1 LYS 37 -1.002 2.935 -5.103 223 1HG LYS 37 HG2 LYS 37 -0.498 0.864 -5.874 224 2HG LYS 37 HG1 LYS 37 -2.016 0.183 -5.285 225 1HD LYS 37 HD2 LYS 37 -2.770 1.887 -7.375 226 2HD LYS 37 HD1 LYS 37 -1.322 1.072 -7.964 227 1HE LYS 37 HE2 LYS 37 -3.439 -0.547 -6.588 228 2HE LYS 37 HE1 LYS 37 -3.691 -0.058 -8.263 229 1HZ LYS 37 HZ1 LYS 37 -2.440 -1.797 -8.800 230 2HZ LYS 37 HZ2 LYS 37 -1.932 -2.042 -7.198 231 3HZ LYS 37 HZ3 LYS 37 -1.110 -0.939 -8.195 232 H PHE 38 H PHE 38 -1.903 -0.316 -2.865 233 HA PHE 38 HA PHE 38 -0.110 0.138 -0.736 234 1HB PHE 38 HB2 PHE 38 -0.633 -2.178 -2.565 235 2HB PHE 38 HB1 PHE 38 0.761 -2.247 -1.491 236 HD1 PHE 38 HD1 PHE 38 0.053 -1.105 0.973 237 HD2 PHE 38 HD2 PHE 38 -2.473 -3.315 -1.708 238 HE1 PHE 38 HE1 PHE 38 -1.430 -1.706 2.866 239 HE2 PHE 38 HE2 PHE 38 -3.958 -3.915 0.186 240 HZ PHE 38 HZ PHE 38 -3.437 -3.111 2.473 241 H SER 39 H SER 39 1.604 1.561 -1.130 242 HA SER 39 HA SER 39 3.119 1.866 -3.451 243 1HB SER 39 HB2 SER 39 3.944 2.022 -0.546 244 2HB SER 39 HB1 SER 39 5.057 2.411 -1.856 245 HG SER 39 HG SER 39 2.481 3.563 -1.554 246 H ARG 40 H ARG 40 5.364 0.996 -3.901 247 HA ARG 40 HA ARG 40 5.302 -1.922 -3.701 248 1HB ARG 40 HB2 ARG 40 7.228 0.043 -4.964 249 2HB ARG 40 HB1 ARG 40 7.520 -1.696 -4.958 250 1HG ARG 40 HG2 ARG 40 6.167 -1.920 -6.740 251 2HG ARG 40 HG1 ARG 40 4.825 -1.283 -5.788 252 1HD ARG 40 HD2 ARG 40 5.400 0.994 -6.395 253 2HD ARG 40 HD1 ARG 40 6.863 0.447 -7.214 254 HE ARG 40 HE ARG 40 5.389 0.343 -9.064 255 1HH1 ARG 40 1HH2 ARG 40 3.302 0.176 -6.493 256 2HH1 ARG 40 2HH2 ARG 40 2.236 -1.002 -7.181 257 1HH2 ARG 40 1HH1 ARG 40 4.325 -1.717 -9.856 258 2HH2 ARG 40 2HH1 ARG 40 2.816 -2.077 -9.084 259 H ALA 41 H ALA 41 6.946 -3.200 -2.665 260 HA ALA 41 HA ALA 41 7.730 -2.358 -0.083 261 1HB ALA 41 HB1 ALA 41 8.756 -4.418 0.103 262 2HB ALA 41 HB2 ALA 41 9.477 -4.321 -1.503 263 3HB ALA 41 HB3 ALA 41 7.773 -4.740 -1.325 264 H GLY 42 H GLY 42 10.086 -2.160 0.644 265 1HA GLY 42 HA2 GLY 42 12.163 -1.059 0.501 266 2HA GLY 42 HA1 GLY 42 12.040 -1.190 -1.256 267 H LYS 43 H LYS 43 9.388 0.193 0.483 268 HA LYS 43 HA LYS 43 10.071 2.845 -0.714 269 1HB LYS 43 HB2 LYS 43 7.924 2.213 -1.442 270 2HB LYS 43 HB1 LYS 43 7.492 1.527 0.120 271 1HG LYS 43 HG2 LYS 43 6.312 3.626 -0.118 272 2HG LYS 43 HG1 LYS 43 7.583 3.861 1.081 273 1HD LYS 43 HD2 LYS 43 8.441 5.524 -0.165 274 2HD LYS 43 HD1 LYS 43 8.708 4.387 -1.486 275 1HE LYS 43 HE2 LYS 43 7.039 5.319 -2.670 276 2HE LYS 43 HE1 LYS 43 5.909 5.032 -1.347 277 1HZ LYS 43 HZ1 LYS 43 7.245 7.451 -2.115 278 2HZ LYS 43 HZ2 LYS 43 7.408 7.110 -0.459 279 3HZ LYS 43 HZ3 LYS 43 5.863 7.236 -1.156 280 H ILE 44 H ILE 44 11.039 4.221 0.676 281 HA ILE 44 HA ILE 44 11.356 3.906 3.429 282 HB ILE 44 HB ILE 44 12.645 5.540 2.162 283 1HG1 ILE 44 2HG1 ILE 44 12.435 7.479 3.721 284 2HG1 ILE 44 1HG1 ILE 44 10.921 6.800 4.320 285 1HG2 ILE 44 1HG2 ILE 44 10.331 7.436 2.103 286 2HG2 ILE 44 2HG2 ILE 44 10.413 6.182 0.866 287 3HG2 ILE 44 3HG2 ILE 44 11.730 7.342 1.033 288 1HD1 ILE 44 1HD1 ILE 44 13.468 5.182 4.319 289 2HD1 ILE 44 2HD1 ILE 44 12.002 4.920 5.264 290 3HD1 ILE 44 3HD1 ILE 44 13.071 6.266 5.653 291 H CYS 45 H CYS 45 9.682 3.552 4.818 292 HA CYS 45 HA CYS 45 7.274 5.319 4.625 293 1HB CYS 45 HB2 CYS 45 6.095 3.634 5.874 294 2HB CYS 45 HB1 CYS 45 6.940 2.828 4.577 295 H ARG 46 H ARG 46 10.152 4.980 6.317 296 HA ARG 46 HA ARG 46 9.310 6.937 8.319 297 1HB ARG 46 HB2 ARG 46 9.466 4.089 8.982 298 2HB ARG 46 HB1 ARG 46 10.520 5.077 9.987 299 1HG ARG 46 HG2 ARG 46 8.390 6.640 10.140 300 2HG ARG 46 HG1 ARG 46 7.533 5.152 9.740 301 1HD ARG 46 HD2 ARG 46 9.129 4.158 11.634 302 2HD ARG 46 HD1 ARG 46 9.109 5.833 12.184 303 HE ARG 46 HE ARG 46 6.912 3.968 12.395 304 1HH1 ARG 46 1HH2 ARG 46 7.656 6.612 13.909 305 2HH1 ARG 46 2HH2 ARG 46 6.223 7.533 13.600 306 1HH2 ARG 46 1HH1 ARG 46 5.092 5.425 11.088 307 2HH2 ARG 46 2HH1 ARG 46 4.770 6.862 12.002 308 H ILE 47 H ILE 47 11.067 8.113 9.023 309 HA ILE 47 HA ILE 47 13.686 7.315 7.861 310 HB ILE 47 HB ILE 47 12.258 9.789 8.055 311 1HG1 ILE 47 2HG1 ILE 47 14.932 8.933 6.937 312 2HG1 ILE 47 1HG1 ILE 47 13.412 9.138 6.070 313 1HG2 ILE 47 1HG2 ILE 47 15.020 9.996 9.266 314 2HG2 ILE 47 2HG2 ILE 47 13.550 9.994 10.239 315 3HG2 ILE 47 3HG2 ILE 47 13.827 11.280 9.067 316 1HD1 ILE 47 1HD1 ILE 47 15.416 11.147 6.837 317 2HD1 ILE 47 2HD1 ILE 47 13.760 11.614 7.224 318 3HD1 ILE 47 3HD1 ILE 47 14.196 11.204 5.566 319 HA PRO 48 HA PRO 48 15.228 6.393 11.858 320 1HB PRO 48 HB2 PRO 48 17.906 6.775 11.378 321 2HB PRO 48 HB1 PRO 48 16.994 5.373 10.796 322 1HG PRO 48 HG2 PRO 48 17.968 7.743 9.270 323 2HG PRO 48 HG1 PRO 48 17.646 6.097 8.700 324 1HD PRO 48 HD2 PRO 48 15.954 8.336 8.345 325 2HD PRO 48 HD1 PRO 48 15.502 6.638 8.084 326 H ARG 49 H ARG 49 14.723 7.912 13.417 327 HA ARG 49 HA ARG 49 15.836 10.631 13.282 328 1HB ARG 49 HB2 ARG 49 13.879 9.193 15.049 329 2HB ARG 49 HB1 ARG 49 14.620 10.689 15.620 330 1HG ARG 49 HG2 ARG 49 12.662 11.423 14.524 331 2HG ARG 49 HG1 ARG 49 13.932 11.668 13.324 332 1HD ARG 49 HD2 ARG 49 12.067 10.583 12.226 333 2HD ARG 49 HD1 ARG 49 13.373 9.409 12.370 334 HE ARG 49 HE ARG 49 11.800 8.120 13.544 335 1HH1 ARG 49 1HH2 ARG 49 10.116 10.888 13.239 336 2HH1 ARG 49 2HH2 ARG 49 9.433 10.914 14.829 337 1HH2 ARG 49 1HH1 ARG 49 11.487 8.395 16.038 338 2HH2 ARG 49 2HH1 ARG 49 10.209 9.504 16.416 339 H GLY 50 H GLY 50 17.944 10.835 13.892 340 1HA GLY 50 HA2 GLY 50 19.529 10.992 15.739 341 2HA GLY 50 HA1 GLY 50 18.751 9.591 16.476 342 H ASP 51 H ASP 51 19.644 7.604 16.075 343 HA ASP 51 HA ASP 51 21.444 7.318 13.719 344 1HB ASP 51 HB2 ASP 51 22.195 6.222 16.433 345 2HB ASP 51 HB1 ASP 51 23.218 6.406 15.007 346 H MET 52 H MET 52 19.367 6.187 13.060 347 HA MET 52 HA MET 52 19.549 3.332 13.862 348 1HB MET 52 HB2 MET 52 17.263 3.132 14.384 349 2HB MET 52 HB1 MET 52 17.679 4.686 15.093 350 1HG MET 52 HG2 MET 52 16.767 5.874 13.189 351 2HG MET 52 HG1 MET 52 16.501 4.363 12.320 352 1HE MET 52 HE1 MET 52 15.893 5.939 15.839 353 2HE MET 52 HE2 MET 52 16.130 4.210 16.075 354 3HE MET 52 HE3 MET 52 14.564 4.934 16.431 355 HA PRO 53 HA PRO 53 18.928 2.640 9.569 356 1HB PRO 53 HB2 PRO 53 17.437 0.332 9.563 357 2HB PRO 53 HB1 PRO 53 19.158 0.385 9.982 358 1HG PRO 53 HG2 PRO 53 16.805 0.041 11.772 359 2HG PRO 53 HG1 PRO 53 18.483 -0.471 12.014 360 1HD PRO 53 HD2 PRO 53 17.233 1.799 13.172 361 2HD PRO 53 HD1 PRO 53 18.971 1.429 13.198 362 H ASP 54 H ASP 54 17.534 3.368 7.974 363 HA ASP 54 HA ASP 54 15.065 4.619 8.607 364 1HB ASP 54 HB2 ASP 54 15.687 3.513 5.869 365 2HB ASP 54 HB1 ASP 54 14.824 4.994 6.286 366 H ASP 55 H ASP 55 13.169 3.751 6.803 367 HA ASP 55 HA ASP 55 12.699 0.872 7.359 368 1HB ASP 55 HB2 ASP 55 11.497 2.896 8.890 369 2HB ASP 55 HB1 ASP 55 10.256 2.406 7.736 370 H ARG 56 H ARG 56 11.743 -0.109 5.598 371 HA ARG 56 HA ARG 56 10.655 1.703 3.474 372 1HB ARG 56 HB2 ARG 56 12.038 -0.952 3.061 373 2HB ARG 56 HB1 ARG 56 11.542 0.191 1.817 374 1HG ARG 56 HG2 ARG 56 13.234 1.430 3.855 375 2HG ARG 56 HG1 ARG 56 14.043 0.101 3.024 376 1HD ARG 56 HD2 ARG 56 13.521 1.107 0.851 377 2HD ARG 56 HD1 ARG 56 12.638 2.410 1.648 378 HE ARG 56 HE ARG 56 14.709 3.455 2.005 379 1HH1 ARG 56 1HH1 ARG 56 15.174 0.241 0.945 380 2HH1 ARG 56 2HH1 ARG 56 16.854 0.190 1.367 381 1HH2 ARG 56 1HH2 ARG 56 16.849 3.312 2.873 382 2HH2 ARG 56 2HH2 ARG 56 17.801 1.924 2.461 383 H CYS 57 H CYS 57 8.757 1.086 2.461 384 HA CYS 57 HA CYS 57 6.938 -0.595 3.892 385 1HB CYS 57 HB2 CYS 57 6.681 0.046 0.951 386 2HB CYS 57 HB1 CYS 57 5.397 -0.163 2.141 387 H THR 58 H THR 58 5.984 -2.628 3.060 388 HA THR 58 HA THR 58 8.088 -4.343 1.868 389 HB THR 58 HB THR 58 6.961 -6.185 2.813 390 HG1 THR 58 HG1 THR 58 4.717 -4.474 3.081 391 1HG2 THR 58 1HG2 THR 58 7.504 -5.541 4.893 392 2HG2 THR 58 2HG2 THR 58 5.965 -4.690 5.024 393 3HG2 THR 58 3HG2 THR 58 7.387 -3.848 4.409 394 H GLY 59 H GLY 59 5.757 -2.449 0.654 395 1HA GLY 59 HA2 GLY 59 5.103 -2.484 -1.664 396 2HA GLY 59 HA1 GLY 59 5.412 -4.219 -1.697 397 H GLN 60 H GLN 60 3.914 -4.889 0.661 398 HA GLN 60 HA GLN 60 1.164 -4.460 -0.417 399 1HB GLN 60 HB2 GLN 60 2.236 -6.612 1.436 400 2HB GLN 60 HB1 GLN 60 0.573 -6.502 0.859 401 1HG GLN 60 HG2 GLN 60 1.975 -6.344 -1.493 402 2HG GLN 60 HG1 GLN 60 2.990 -7.435 -0.549 403 1HE2 GLN 60 1HE2 GLN 60 2.258 -9.185 -2.073 404 2HE2 GLN 60 2HE2 GLN 60 0.741 -9.908 -1.838 405 H SER 61 H SER 61 3.144 -3.224 1.923 406 HA SER 61 HA SER 61 1.085 -3.099 4.043 407 1HB SER 61 HB2 SER 61 3.292 -3.377 4.895 408 2HB SER 61 HB1 SER 61 3.937 -2.125 3.837 409 HG SER 61 HG SER 61 2.717 -0.607 5.006 410 H ALA 62 H ALA 62 -0.011 -1.214 4.616 411 HA ALA 62 HA ALA 62 0.103 0.987 2.611 412 1HB ALA 62 HB1 ALA 62 -2.135 0.275 2.854 413 2HB ALA 62 HB2 ALA 62 -2.044 1.684 3.910 414 3HB ALA 62 HB3 ALA 62 -1.971 0.062 4.597 415 H ASP 63 H ASP 63 0.210 0.360 6.105 416 HA ASP 63 HA ASP 63 1.059 3.174 6.562 417 1HB ASP 63 HB2 ASP 63 0.644 1.086 8.704 418 2HB ASP 63 HB1 ASP 63 0.545 2.842 8.847 419 H CYS 64 H CYS 64 2.924 3.309 8.287 420 HA CYS 64 HA CYS 64 5.098 1.600 7.238 421 1HB CYS 64 HB2 CYS 64 5.485 4.032 7.360 422 2HB CYS 64 HB1 CYS 64 5.209 3.993 9.083 423 HA PRO 65 HA PRO 65 4.645 -0.864 10.907 424 1HB PRO 65 HB2 PRO 65 6.270 -2.849 9.953 425 2HB PRO 65 HB1 PRO 65 4.560 -2.718 9.541 426 1HG PRO 65 HG2 PRO 65 6.964 -2.132 7.890 427 2HG PRO 65 HG1 PRO 65 5.325 -2.565 7.370 428 1HD PRO 65 HD2 PRO 65 6.443 0.033 7.358 429 2HD PRO 65 HD1 PRO 65 4.727 -0.373 7.144 430 H ARG 66 H ARG 66 6.830 -2.432 11.739 431 HA ARG 66 HA ARG 66 9.139 -0.575 11.933 432 1HB ARG 66 HB2 ARG 66 9.188 -0.642 14.336 433 2HB ARG 66 HB1 ARG 66 7.550 -0.175 13.873 434 1HG ARG 66 HG2 ARG 66 6.741 -2.430 14.215 435 2HG ARG 66 HG1 ARG 66 8.380 -3.027 14.476 436 1HD ARG 66 HD2 ARG 66 7.962 -2.693 16.679 437 2HD ARG 66 HD1 ARG 66 8.196 -0.983 16.320 438 HE ARG 66 HE ARG 66 5.523 -1.436 15.727 439 1HH1 ARG 66 1HH2 ARG 66 5.610 -3.548 17.838 440 2HH1 ARG 66 2HH2 ARG 66 5.242 -2.651 19.273 441 1HH2 ARG 66 1HH1 ARG 66 5.901 0.434 17.833 442 2HH2 ARG 66 2HH1 ARG 66 5.403 -0.397 19.268 443 H TYR 67 H TYR 67 11.107 -1.667 12.534 444 HA TYR 67 HA TYR 67 11.031 -4.559 11.908 445 1HB TYR 67 HB2 TYR 67 12.863 -2.449 11.404 446 2HB TYR 67 HB1 TYR 67 13.679 -3.583 12.482 447 HD1 TYR 67 HD1 TYR 67 11.490 -3.576 9.436 448 HD2 TYR 67 HD2 TYR 67 14.719 -5.457 11.554 449 HE1 TYR 67 HE1 TYR 67 11.827 -5.133 7.538 450 HE2 TYR 67 HE2 TYR 67 15.055 -7.015 9.654 451 HH TYR 67 HH TYR 67 12.961 -6.876 6.769 452 H HIS 68 H HIS 68 11.837 -2.367 14.558 453 HA HIS 68 HA HIS 68 13.109 -4.231 16.281 454 1HB HIS 68 HB2 HIS 68 12.891 -1.714 16.615 455 2HB HIS 68 HB1 HIS 68 11.252 -2.019 17.192 456 HD1 HIS 68 HD1 HIS 68 11.784 -1.361 19.637 457 HD2 HIS 68 HD2 HIS 68 14.157 -4.473 18.199 458 HE1 HIS 68 HE1 HIS 68 12.971 -2.345 21.646 Start of MODEL 12 1 1H GLY 1 HT1 GLY 1 -9.199 -4.511 11.298 2 2H GLY 1 HT2 GLY 1 -8.786 -6.048 11.894 3 3H GLY 1 HT3 GLY 1 -9.402 -4.861 12.945 4 1HA GLY 1 HA1 GLY 1 -11.023 -6.635 12.269 5 2HA GLY 1 HA2 GLY 1 -11.544 -4.969 12.011 6 H LYS 2 H LYS 2 -12.302 -7.465 10.549 7 HA LYS 2 HA LYS 2 -11.133 -6.987 7.868 8 1HB LYS 2 HB2 LYS 2 -11.450 -9.325 8.771 9 2HB LYS 2 HB1 LYS 2 -13.191 -9.057 8.688 10 1HG LYS 2 HG2 LYS 2 -13.170 -8.875 6.331 11 2HG LYS 2 HG1 LYS 2 -11.426 -8.616 6.281 12 1HD LYS 2 HD2 LYS 2 -11.233 -10.981 7.301 13 2HD LYS 2 HD1 LYS 2 -12.923 -11.180 6.835 14 1HE LYS 2 HE2 LYS 2 -11.598 -12.029 5.018 15 2HE LYS 2 HE1 LYS 2 -12.249 -10.477 4.491 16 1HZ LYS 2 HZ1 LYS 2 -9.527 -11.258 4.945 17 2HZ LYS 2 HZ2 LYS 2 -9.930 -9.807 5.730 18 3HZ LYS 2 HZ3 LYS 2 -10.143 -9.956 4.051 19 H GLU 3 H GLU 3 -13.313 -5.362 9.503 20 HA GLU 3 HA GLU 3 -15.287 -5.233 7.256 21 1HB GLU 3 HB2 GLU 3 -15.694 -4.237 10.090 22 2HB GLU 3 HB1 GLU 3 -16.920 -4.438 8.835 23 1HG GLU 3 HG2 GLU 3 -17.247 -6.566 9.478 24 2HG GLU 3 HG1 GLU 3 -15.551 -6.931 9.160 25 H CYS 4 H CYS 4 -12.809 -3.549 8.907 26 HA CYS 4 HA CYS 4 -13.525 -1.112 7.356 27 1HB CYS 4 HB2 CYS 4 -14.075 -0.854 9.826 28 2HB CYS 4 HB1 CYS 4 -12.347 -0.998 10.142 29 H ASP 5 H ASP 5 -11.896 -0.800 5.936 30 HA ASP 5 HA ASP 5 -9.207 -1.866 6.564 31 1HB ASP 5 HB2 ASP 5 -10.503 -2.134 4.305 32 2HB ASP 5 HB1 ASP 5 -9.941 -0.492 3.989 33 H CYS 6 H CYS 6 -10.913 1.095 6.643 34 HA CYS 6 HA CYS 6 -8.320 2.584 6.791 35 1HB CYS 6 HB2 CYS 6 -9.416 4.527 5.910 36 2HB CYS 6 HB1 CYS 6 -9.897 3.189 4.873 37 H SER 7 H SER 7 -8.826 4.756 8.171 38 HA SER 7 HA SER 7 -10.374 3.871 10.577 39 1HB SER 7 HB2 SER 7 -7.846 3.855 10.845 40 2HB SER 7 HB1 SER 7 -7.885 5.601 10.617 41 HG SER 7 HG SER 7 -8.676 4.055 12.763 42 H SER 8 H SER 8 -10.725 5.821 8.110 43 HA SER 8 HA SER 8 -11.859 8.014 9.782 44 1HB SER 8 HB2 SER 8 -10.181 8.285 7.281 45 2HB SER 8 HB1 SER 8 -11.212 9.583 7.876 46 HG SER 8 HG SER 8 -9.095 8.289 9.261 47 HA PRO 9 HA PRO 9 -15.405 7.105 7.307 48 1HB PRO 9 HB2 PRO 9 -16.920 9.253 8.110 49 2HB PRO 9 HB1 PRO 9 -16.658 7.814 9.110 50 1HG PRO 9 HG2 PRO 9 -15.468 10.534 9.388 51 2HG PRO 9 HG1 PRO 9 -15.741 9.298 10.627 52 1HD PRO 9 HD2 PRO 9 -13.264 9.890 9.383 53 2HD PRO 9 HD1 PRO 9 -13.619 8.467 10.386 54 H GLU 10 H GLU 10 -14.448 10.560 7.425 55 HA GLU 10 HA GLU 10 -15.619 11.279 4.926 56 1HB GLU 10 HB2 GLU 10 -13.930 12.511 6.910 57 2HB GLU 10 HB1 GLU 10 -13.300 12.866 5.300 58 1HG GLU 10 HG2 GLU 10 -16.230 13.169 5.976 59 2HG GLU 10 HG1 GLU 10 -15.075 14.481 6.209 60 H ASN 11 H ASN 11 -12.796 9.448 5.666 61 HA ASN 11 HA ASN 11 -11.096 9.947 3.499 62 1HB ASN 11 HB2 ASN 11 -10.523 8.363 5.278 63 2HB ASN 11 HB1 ASN 11 -11.797 7.269 4.737 64 1HD2 ASN 11 1HD2 ASN 11 -8.488 8.056 4.329 65 2HD2 ASN 11 2HD2 ASN 11 -8.204 7.146 2.924 66 HA PRO 12 HA PRO 12 -13.861 8.808 0.181 67 1HB PRO 12 HB2 PRO 12 -12.149 9.558 -1.832 68 2HB PRO 12 HB1 PRO 12 -13.139 10.702 -0.911 69 1HG PRO 12 HG2 PRO 12 -10.208 10.193 -0.736 70 2HG PRO 12 HG1 PRO 12 -11.119 11.657 -0.328 71 1HD PRO 12 HD2 PRO 12 -10.121 9.740 1.511 72 2HD PRO 12 HD1 PRO 12 -11.271 11.044 1.874 73 H CYS 13 H CYS 13 -10.648 7.574 0.751 74 HA CYS 13 HA CYS 13 -10.636 5.699 -1.463 75 1HB CYS 13 HB2 CYS 13 -8.658 6.608 0.091 76 2HB CYS 13 HB1 CYS 13 -9.036 5.148 0.989 77 H CYS 14 H CYS 14 -11.949 5.652 1.779 78 HA CYS 14 HA CYS 14 -12.673 2.789 1.315 79 1HB CYS 14 HB2 CYS 14 -12.531 2.377 3.676 80 2HB CYS 14 HB1 CYS 14 -11.047 3.204 3.209 81 H ASP 15 H ASP 15 -14.809 2.420 1.174 82 HA ASP 15 HA ASP 15 -16.769 4.488 1.372 83 1HB ASP 15 HB2 ASP 15 -16.805 2.088 0.225 84 2HB ASP 15 HB1 ASP 15 -17.518 1.614 1.766 85 H ALA 16 H ALA 16 -17.745 5.309 3.168 86 HA ALA 16 HA ALA 16 -17.027 4.373 5.806 87 1HB ALA 16 HB1 ALA 16 -19.369 5.987 5.946 88 2HB ALA 16 HB2 ALA 16 -18.357 6.644 4.660 89 3HB ALA 16 HB3 ALA 16 -17.707 6.465 6.289 90 H ALA 17 H ALA 17 -19.840 3.935 3.707 91 HA ALA 17 HA ALA 17 -21.693 2.869 5.516 92 1HB ALA 17 HB1 ALA 17 -22.406 1.402 3.530 93 2HB ALA 17 HB2 ALA 17 -21.079 2.152 2.645 94 3HB ALA 17 HB3 ALA 17 -22.399 3.144 3.261 95 H THR 18 H THR 18 -18.889 1.296 4.020 96 HA THR 18 HA THR 18 -19.400 -1.068 5.781 97 HB THR 18 HB THR 18 -19.401 -1.619 3.379 98 HG1 THR 18 HG1 THR 18 -17.005 -2.440 4.652 99 1HG2 THR 18 1HG2 THR 18 -17.949 -0.702 1.922 100 2HG2 THR 18 2HG2 THR 18 -16.565 -1.147 2.920 101 3HG2 THR 18 3HG2 THR 18 -17.436 0.355 3.239 102 H CYS 19 H CYS 19 -17.337 1.591 5.175 103 HA CYS 19 HA CYS 19 -15.462 2.306 6.425 104 1HB CYS 19 HB2 CYS 19 -16.667 0.609 8.151 105 2HB CYS 19 HB1 CYS 19 -15.180 -0.289 7.851 106 H LYS 20 H LYS 20 -15.578 0.171 4.073 107 HA LYS 20 HA LYS 20 -12.680 -0.563 4.292 108 1HB LYS 20 HB2 LYS 20 -14.848 -1.970 2.705 109 2HB LYS 20 HB1 LYS 20 -13.156 -2.463 2.817 110 1HG LYS 20 HG2 LYS 20 -14.270 -2.082 5.462 111 2HG LYS 20 HG1 LYS 20 -15.250 -3.223 4.540 112 1HD LYS 20 HD2 LYS 20 -12.319 -3.574 4.288 113 2HD LYS 20 HD1 LYS 20 -12.991 -3.931 5.879 114 1HE LYS 20 HE2 LYS 20 -14.548 -5.522 4.942 115 2HE LYS 20 HE1 LYS 20 -14.111 -5.056 3.298 116 1HZ LYS 20 HZ1 LYS 20 -12.893 -6.968 4.953 117 2HZ LYS 20 HZ2 LYS 20 -11.766 -5.736 4.641 118 3HZ LYS 20 HZ3 LYS 20 -12.509 -6.559 3.353 119 H LEU 21 H LEU 21 -12.000 -1.134 1.775 120 HA LEU 21 HA LEU 21 -11.631 1.363 0.519 121 1HB LEU 21 HB2 LEU 21 -11.418 -1.487 -0.389 122 2HB LEU 21 HB1 LEU 21 -11.289 -0.197 -1.587 123 HG LEU 21 HG LEU 21 -9.693 0.662 0.545 124 1HD1 LEU 21 1HD1 LEU 21 -10.009 -2.034 0.949 125 2HD1 LEU 21 2HD1 LEU 21 -8.598 -1.108 1.462 126 3HD1 LEU 21 3HD1 LEU 21 -8.565 -1.994 -0.062 127 1HD2 LEU 21 1HD2 LEU 21 -8.063 -0.621 -1.400 128 2HD2 LEU 21 2HD2 LEU 21 -8.482 1.090 -1.305 129 3HD2 LEU 21 3HD2 LEU 21 -9.489 -0.015 -2.241 130 H ARG 22 H ARG 22 -12.852 2.555 -0.898 131 HA ARG 22 HA ARG 22 -15.547 1.486 -1.528 132 1HB ARG 22 HB2 ARG 22 -15.940 3.543 -0.595 133 2HB ARG 22 HB1 ARG 22 -14.414 4.217 -1.144 134 1HG ARG 22 HG2 ARG 22 -15.305 4.930 -3.129 135 2HG ARG 22 HG1 ARG 22 -16.333 3.506 -3.289 136 1HD ARG 22 HD2 ARG 22 -17.792 4.436 -1.462 137 2HD ARG 22 HD1 ARG 22 -16.827 5.913 -1.515 138 HE ARG 22 HE ARG 22 -18.198 6.511 -3.327 139 1HH1 ARG 22 1HH1 ARG 22 -19.329 3.526 -2.795 140 2HH1 ARG 22 2HH1 ARG 22 -19.465 3.029 -4.449 141 1HH2 ARG 22 1HH2 ARG 22 -17.631 5.700 -5.681 142 2HH2 ARG 22 2HH2 ARG 22 -18.505 4.258 -6.082 143 HA PRO 23 HA PRO 23 -14.151 2.770 -5.880 144 1HB PRO 23 HB2 PRO 23 -11.705 3.980 -6.211 145 2HB PRO 23 HB1 PRO 23 -13.207 4.872 -5.912 146 1HG PRO 23 HG2 PRO 23 -10.951 4.311 -4.040 147 2HG PRO 23 HG1 PRO 23 -12.095 5.663 -4.046 148 1HD PRO 23 HD2 PRO 23 -12.214 3.423 -2.339 149 2HD PRO 23 HD1 PRO 23 -13.522 4.586 -2.624 150 H GLY 24 H GLY 24 -12.168 2.131 -7.484 151 1HA GLY 24 HA2 GLY 24 -11.388 -0.562 -6.689 152 2HA GLY 24 HA1 GLY 24 -10.998 0.216 -8.223 153 H ALA 25 H ALA 25 -10.235 0.857 -4.782 154 HA ALA 25 HA ALA 25 -7.433 1.433 -5.610 155 1HB ALA 25 HB1 ALA 25 -7.410 2.271 -3.117 156 2HB ALA 25 HB2 ALA 25 -9.164 2.246 -3.297 157 3HB ALA 25 HB3 ALA 25 -8.184 3.250 -4.363 158 H GLN 26 H GLN 26 -5.683 0.554 -4.235 159 HA GLN 26 HA GLN 26 -6.254 -2.223 -3.463 160 1HB GLN 26 HB2 GLN 26 -3.742 -0.550 -3.641 161 2HB GLN 26 HB1 GLN 26 -3.735 -2.201 -3.027 162 1HG GLN 26 HG2 GLN 26 -5.224 -2.099 -5.491 163 2HG GLN 26 HG1 GLN 26 -3.635 -1.369 -5.728 164 1HE2 GLN 26 1HE2 GLN 26 -1.923 -2.809 -6.042 165 2HE2 GLN 26 2HE2 GLN 26 -1.973 -4.465 -5.676 166 H CYS 27 H CYS 27 -5.827 0.862 -1.934 167 HA CYS 27 HA CYS 27 -6.263 -0.410 0.690 168 1HB CYS 27 HB2 CYS 27 -3.947 -0.450 0.868 169 2HB CYS 27 HB1 CYS 27 -3.734 0.971 -0.150 170 H GLY 28 H GLY 28 -7.270 0.998 2.153 171 1HA GLY 28 HA2 GLY 28 -8.329 3.479 0.987 172 2HA GLY 28 HA1 GLY 28 -8.891 2.718 2.473 173 H GLU 29 H GLU 29 -6.154 2.355 3.491 174 HA GLU 29 HA GLU 29 -5.034 5.054 3.738 175 1HB GLU 29 HB2 GLU 29 -6.887 5.116 5.360 176 2HB GLU 29 HB1 GLU 29 -6.259 3.664 6.137 177 1HG GLU 29 HG2 GLU 29 -4.388 5.965 5.781 178 2HG GLU 29 HG1 GLU 29 -5.627 6.101 7.029 179 H GLY 30 H GLY 30 -2.908 4.994 4.470 180 1HA GLY 30 HA2 GLY 30 -1.521 3.174 5.993 181 2HA GLY 30 HA1 GLY 30 -1.560 2.396 4.412 182 H LEU 31 H LEU 31 0.921 3.176 5.389 183 HA LEU 31 HA LEU 31 1.445 5.819 4.237 184 1HB LEU 31 HB2 LEU 31 3.864 5.300 4.850 185 2HB LEU 31 HB1 LEU 31 2.735 5.534 6.169 186 HG LEU 31 HG LEU 31 4.399 3.559 6.271 187 1HD1 LEU 31 1HD1 LEU 31 3.070 2.838 7.916 188 2HD1 LEU 31 2HD1 LEU 31 1.834 2.321 6.775 189 3HD1 LEU 31 3HD1 LEU 31 1.866 3.987 7.339 190 1HD2 LEU 31 1HD2 LEU 31 3.814 1.559 5.122 191 2HD2 LEU 31 2HD2 LEU 31 3.775 2.826 3.909 192 3HD2 LEU 31 3HD2 LEU 31 2.270 2.221 4.598 193 H CYS 32 H CYS 32 1.263 2.670 3.099 194 HA CYS 32 HA CYS 32 3.152 3.207 0.852 195 1HB CYS 32 HB2 CYS 32 1.578 0.682 1.453 196 2HB CYS 32 HB1 CYS 32 2.839 0.863 0.239 197 H CYS 33 H CYS 33 -0.108 3.412 1.747 198 HA CYS 33 HA CYS 33 -1.328 2.852 -0.814 199 1HB CYS 33 HB2 CYS 33 -2.507 4.638 1.306 200 2HB CYS 33 HB1 CYS 33 -3.343 3.542 0.210 201 H GLU 34 H GLU 34 0.178 4.173 -2.143 202 HA GLU 34 HA GLU 34 -0.124 7.104 -1.918 203 1HB GLU 34 HB2 GLU 34 1.544 5.274 -3.657 204 2HB GLU 34 HB1 GLU 34 1.386 6.992 -4.021 205 1HG GLU 34 HG2 GLU 34 2.094 6.195 -1.224 206 2HG GLU 34 HG1 GLU 34 3.347 6.113 -2.462 207 H GLN 35 H GLN 35 -1.756 8.103 -3.013 208 HA GLN 35 HA GLN 35 -3.491 8.411 -4.559 209 1HB GLN 35 HB2 GLN 35 -1.270 7.567 -6.035 210 2HB GLN 35 HB1 GLN 35 -2.569 6.496 -6.562 211 1HG GLN 35 HG2 GLN 35 -3.951 8.333 -7.209 212 2HG GLN 35 HG1 GLN 35 -2.911 9.496 -6.386 213 1HE2 GLN 35 1HE2 GLN 35 -0.430 9.182 -7.253 214 2HE2 GLN 35 2HE2 GLN 35 -0.303 9.165 -8.945 215 H CYS 36 H CYS 36 -3.397 6.202 -2.577 216 HA CYS 36 HA CYS 36 -4.770 4.432 -1.928 217 1HB CYS 36 HB2 CYS 36 -6.282 5.399 -4.359 218 2HB CYS 36 HB1 CYS 36 -6.777 3.986 -3.450 219 H LYS 37 H LYS 37 -2.450 3.701 -3.065 220 HA LYS 37 HA LYS 37 -3.178 1.186 -4.417 221 1HB LYS 37 HB2 LYS 37 -2.163 3.422 -5.874 222 2HB LYS 37 HB1 LYS 37 -0.880 2.216 -5.785 223 1HG LYS 37 HG2 LYS 37 -3.592 1.172 -6.382 224 2HG LYS 37 HG1 LYS 37 -2.846 2.147 -7.648 225 1HD LYS 37 HD2 LYS 37 -0.796 0.714 -7.468 226 2HD LYS 37 HD1 LYS 37 -1.666 -0.315 -6.328 227 1HE LYS 37 HE2 LYS 37 -3.468 -0.187 -8.370 228 2HE LYS 37 HE1 LYS 37 -1.952 -0.091 -9.265 229 1HZ LYS 37 HZ1 LYS 37 -2.934 -2.239 -7.510 230 2HZ LYS 37 HZ2 LYS 37 -1.265 -2.038 -7.749 231 3HZ LYS 37 HZ3 LYS 37 -2.283 -2.347 -9.072 232 H PHE 38 H PHE 38 -1.889 -0.430 -3.636 233 HA PHE 38 HA PHE 38 -0.179 -0.127 -1.450 234 1HB PHE 38 HB2 PHE 38 -0.216 -2.197 -3.650 235 2HB PHE 38 HB1 PHE 38 0.823 -2.344 -2.233 236 HD1 PHE 38 HD1 PHE 38 -1.064 -1.119 -0.182 237 HD2 PHE 38 HD2 PHE 38 -1.711 -4.002 -3.303 238 HE1 PHE 38 HE1 PHE 38 -2.976 -2.065 1.081 239 HE2 PHE 38 HE2 PHE 38 -3.621 -4.945 -2.037 240 HZ PHE 38 HZ PHE 38 -4.254 -3.976 0.156 241 H SER 39 H SER 39 1.639 1.133 -1.360 242 HA SER 39 HA SER 39 3.105 2.089 -3.581 243 1HB SER 39 HB2 SER 39 3.246 2.559 -0.916 244 2HB SER 39 HB1 SER 39 4.667 1.542 -1.114 245 HG SER 39 HG SER 39 4.033 3.855 -2.639 246 H ARG 40 H ARG 40 5.774 1.433 -3.235 247 HA ARG 40 HA ARG 40 5.781 -1.472 -3.945 248 1HB ARG 40 HB2 ARG 40 7.894 0.490 -4.826 249 2HB ARG 40 HB1 ARG 40 7.467 -1.063 -5.542 250 1HG ARG 40 HG2 ARG 40 5.123 0.563 -5.552 251 2HG ARG 40 HG1 ARG 40 6.447 1.530 -6.203 252 1HD ARG 40 HD2 ARG 40 6.311 -1.274 -7.161 253 2HD ARG 40 HD1 ARG 40 5.010 -0.215 -7.702 254 HE ARG 40 HE ARG 40 7.745 -0.105 -8.611 255 1HH1 ARG 40 1HH1 ARG 40 5.143 0.911 -9.937 256 2HH1 ARG 40 2HH1 ARG 40 5.486 2.606 -10.035 257 1HH2 ARG 40 1HH2 ARG 40 8.135 2.475 -7.804 258 2HH2 ARG 40 2HH2 ARG 40 7.176 3.490 -8.827 259 H ALA 41 H ALA 41 7.223 -2.766 -2.867 260 HA ALA 41 HA ALA 41 8.154 -2.252 -0.342 261 1HB ALA 41 HB1 ALA 41 9.088 -4.310 -0.493 262 2HB ALA 41 HB2 ALA 41 10.109 -3.832 -1.848 263 3HB ALA 41 HB3 ALA 41 8.446 -4.343 -2.135 264 H GLY 42 H GLY 42 10.422 -1.892 0.452 265 1HA GLY 42 HA2 GLY 42 12.409 -0.625 0.486 266 2HA GLY 42 HA1 GLY 42 12.351 -0.608 -1.280 267 H LYS 43 H LYS 43 9.585 0.411 0.561 268 HA LYS 43 HA LYS 43 9.954 3.165 -0.528 269 1HB LYS 43 HB2 LYS 43 7.792 1.736 -0.753 270 2HB LYS 43 HB1 LYS 43 7.529 2.167 0.929 271 1HG LYS 43 HG2 LYS 43 7.932 4.146 -1.320 272 2HG LYS 43 HG1 LYS 43 6.380 3.734 -0.581 273 1HD LYS 43 HD2 LYS 43 7.722 4.346 1.652 274 2HD LYS 43 HD1 LYS 43 8.637 5.344 0.522 275 1HE LYS 43 HE2 LYS 43 6.076 5.881 -0.266 276 2HE LYS 43 HE1 LYS 43 5.855 5.644 1.467 277 1HZ LYS 43 HZ1 LYS 43 7.395 7.321 1.957 278 2HZ LYS 43 HZ2 LYS 43 6.436 7.965 0.712 279 3HZ LYS 43 HZ3 LYS 43 7.991 7.372 0.370 280 H ILE 44 H ILE 44 11.089 4.470 0.869 281 HA ILE 44 HA ILE 44 11.462 4.137 3.621 282 HB ILE 44 HB ILE 44 12.736 5.823 2.486 283 1HG1 ILE 44 2HG1 ILE 44 12.377 7.788 3.898 284 2HG1 ILE 44 1HG1 ILE 44 10.739 7.248 4.273 285 1HG2 ILE 44 1HG2 ILE 44 11.482 6.565 0.679 286 2HG2 ILE 44 2HG2 ILE 44 11.333 7.950 1.761 287 3HG2 ILE 44 3HG2 ILE 44 10.023 6.777 1.643 288 1HD1 ILE 44 1HD1 ILE 44 13.286 5.749 4.957 289 2HD1 ILE 44 2HD1 ILE 44 11.647 5.216 5.335 290 3HD1 ILE 44 3HD1 ILE 44 12.301 6.667 6.096 291 H CYS 45 H CYS 45 9.572 3.482 4.701 292 HA CYS 45 HA CYS 45 7.203 5.256 4.553 293 1HB CYS 45 HB2 CYS 45 6.187 3.448 6.025 294 2HB CYS 45 HB1 CYS 45 6.593 2.967 4.382 295 H ARG 46 H ARG 46 9.861 4.583 6.697 296 HA ARG 46 HA ARG 46 8.738 6.569 8.581 297 1HB ARG 46 HB2 ARG 46 8.622 3.748 9.084 298 2HB ARG 46 HB1 ARG 46 9.759 4.481 10.217 299 1HG ARG 46 HG2 ARG 46 8.070 5.396 11.387 300 2HG ARG 46 HG1 ARG 46 7.450 6.182 9.934 301 1HD ARG 46 HD2 ARG 46 5.797 4.664 9.711 302 2HD ARG 46 HD1 ARG 46 6.916 3.317 9.921 303 HE ARG 46 HE ARG 46 6.606 4.347 12.481 304 1HH1 ARG 46 1HH1 ARG 46 3.983 4.540 10.490 305 2HH1 ARG 46 2HH1 ARG 46 3.003 3.385 11.332 306 1HH2 ARG 46 1HH2 ARG 46 5.587 2.272 13.357 307 2HH2 ARG 46 2HH2 ARG 46 3.911 2.102 12.954 308 H ILE 47 H ILE 47 10.284 7.307 10.138 309 HA ILE 47 HA ILE 47 13.114 6.769 9.383 310 HB ILE 47 HB ILE 47 11.548 9.262 9.280 311 1HG1 ILE 47 2HG1 ILE 47 12.856 8.060 7.430 312 2HG1 ILE 47 1HG1 ILE 47 13.087 9.803 7.560 313 1HG2 ILE 47 1HG2 ILE 47 13.733 10.560 9.886 314 2HG2 ILE 47 2HG2 ILE 47 14.102 9.124 10.842 315 3HG2 ILE 47 3HG2 ILE 47 12.639 10.052 11.171 316 1HD1 ILE 47 1HD1 ILE 47 15.121 9.296 9.018 317 2HD1 ILE 47 2HD1 ILE 47 15.272 8.864 7.315 318 3HD1 ILE 47 3HD1 ILE 47 14.943 7.615 8.515 319 HA PRO 48 HA PRO 48 13.339 6.216 13.782 320 1HB PRO 48 HB2 PRO 48 16.066 5.894 13.911 321 2HB PRO 48 HB1 PRO 48 14.953 4.628 13.363 322 1HG PRO 48 HG2 PRO 48 16.795 6.328 11.754 323 2HG PRO 48 HG1 PRO 48 16.156 4.716 11.395 324 1HD PRO 48 HD2 PRO 48 15.230 7.160 10.298 325 2HD PRO 48 HD1 PRO 48 14.413 5.589 10.188 326 H ARG 49 H ARG 49 15.259 7.088 15.477 327 HA ARG 49 HA ARG 49 15.378 10.040 14.994 328 1HB ARG 49 HB2 ARG 49 15.194 8.612 17.664 329 2HB ARG 49 HB1 ARG 49 15.145 10.355 17.398 330 1HG ARG 49 HG2 ARG 49 13.142 8.453 16.163 331 2HG ARG 49 HG1 ARG 49 12.880 9.242 17.719 332 1HD ARG 49 HD2 ARG 49 13.637 10.875 15.310 333 2HD ARG 49 HD1 ARG 49 11.961 10.392 15.559 334 HE ARG 49 HE ARG 49 13.506 12.225 17.306 335 1HH1 ARG 49 1HH2 ARG 49 10.605 11.837 15.799 336 2HH1 ARG 49 2HH2 ARG 49 9.610 12.161 17.179 337 1HH2 ARG 49 1HH1 ARG 49 12.245 12.064 19.430 338 2HH2 ARG 49 2HH1 ARG 49 10.539 12.289 19.236 339 H GLY 50 H GLY 50 17.309 7.455 14.869 340 1HA GLY 50 HA2 GLY 50 19.754 8.152 14.640 341 2HA GLY 50 HA1 GLY 50 19.571 8.844 16.251 342 H ASP 51 H ASP 51 17.779 6.420 16.927 343 HA ASP 51 HA ASP 51 20.042 4.507 17.341 344 1HB ASP 51 HB2 ASP 51 18.283 5.763 19.224 345 2HB ASP 51 HB1 ASP 51 17.960 4.029 19.227 346 H MET 52 H MET 52 17.501 4.847 15.404 347 HA MET 52 HA MET 52 16.858 1.930 15.512 348 1HB MET 52 HB2 MET 52 14.986 4.277 15.209 349 2HB MET 52 HB1 MET 52 14.551 2.680 14.600 350 1HG MET 52 HG2 MET 52 15.632 2.553 17.308 351 2HG MET 52 HG1 MET 52 14.202 3.582 17.215 352 1HE MET 52 HE1 MET 52 15.369 0.689 18.231 353 2HE MET 52 HE2 MET 52 14.152 -0.573 18.045 354 3HE MET 52 HE3 MET 52 13.781 0.868 18.988 355 HA PRO 53 HA PRO 53 17.836 1.951 11.233 356 1HB PRO 53 HB2 PRO 53 16.279 -0.156 10.402 357 2HB PRO 53 HB1 PRO 53 17.771 -0.349 11.338 358 1HG PRO 53 HG2 PRO 53 14.943 -0.635 12.238 359 2HG PRO 53 HG1 PRO 53 16.410 -1.385 12.889 360 1HD PRO 53 HD2 PRO 53 15.047 0.837 13.999 361 2HD PRO 53 HD1 PRO 53 16.675 0.281 14.443 362 H ASP 54 H ASP 54 16.921 2.331 9.084 363 HA ASP 54 HA ASP 54 14.810 4.231 9.025 364 1HB ASP 54 HB2 ASP 54 15.692 2.508 6.701 365 2HB ASP 54 HB1 ASP 54 14.996 4.128 6.632 366 H ASP 55 H ASP 55 13.082 3.526 7.005 367 HA ASP 55 HA ASP 55 11.784 0.981 7.791 368 1HB ASP 55 HB2 ASP 55 10.922 3.560 8.715 369 2HB ASP 55 HB1 ASP 55 9.711 2.923 7.606 370 H ARG 56 H ARG 56 11.309 -0.023 5.886 371 HA ARG 56 HA ARG 56 10.619 1.703 3.544 372 1HB ARG 56 HB2 ARG 56 12.134 -0.917 3.556 373 2HB ARG 56 HB1 ARG 56 11.698 0.005 2.116 374 1HG ARG 56 HG2 ARG 56 13.166 1.448 4.278 375 2HG ARG 56 HG1 ARG 56 14.080 0.300 3.300 376 1HD ARG 56 HD2 ARG 56 12.989 1.481 1.266 377 2HD ARG 56 HD1 ARG 56 12.609 2.773 2.402 378 HE ARG 56 HE ARG 56 15.217 2.594 2.878 379 1HH1 ARG 56 1HH2 ARG 56 13.422 3.381 0.149 380 2HH1 ARG 56 2HH2 ARG 56 14.771 3.441 -0.935 381 1HH2 ARG 56 1HH1 ARG 56 17.026 2.184 1.377 382 2HH2 ARG 56 2HH1 ARG 56 16.812 2.769 -0.239 383 H CYS 57 H CYS 57 8.862 1.045 2.272 384 HA CYS 57 HA CYS 57 6.908 -0.694 3.486 385 1HB CYS 57 HB2 CYS 57 6.449 1.183 1.810 386 2HB CYS 57 HB1 CYS 57 6.981 0.071 0.560 387 H THR 58 H THR 58 6.061 -2.675 2.393 388 HA THR 58 HA THR 58 8.316 -4.347 1.447 389 HB THR 58 HB THR 58 6.793 -6.249 1.917 390 HG1 THR 58 HG1 THR 58 4.834 -5.669 3.042 391 1HG2 THR 58 1HG2 THR 58 7.756 -4.291 3.862 392 2HG2 THR 58 2HG2 THR 58 7.870 -6.049 3.893 393 3HG2 THR 58 3HG2 THR 58 6.411 -5.250 4.478 394 H GLY 59 H GLY 59 5.647 -2.640 0.238 395 1HA GLY 59 HA2 GLY 59 5.384 -2.433 -2.185 396 2HA GLY 59 HA1 GLY 59 5.912 -4.109 -2.342 397 H GLN 60 H GLN 60 4.329 -5.461 -0.591 398 HA GLN 60 HA GLN 60 1.650 -5.083 -1.809 399 1HB GLN 60 HB2 GLN 60 2.848 -7.385 -0.238 400 2HB GLN 60 HB1 GLN 60 1.208 -7.366 -0.892 401 1HG GLN 60 HG2 GLN 60 2.828 -6.605 -3.043 402 2HG GLN 60 HG1 GLN 60 3.722 -7.906 -2.255 403 1HE2 GLN 60 1HE2 GLN 60 1.683 -7.563 -4.744 404 2HE2 GLN 60 2HE2 GLN 60 0.768 -8.986 -4.615 405 H SER 61 H SER 61 3.223 -4.075 0.931 406 HA SER 61 HA SER 61 0.819 -4.405 2.667 407 1HB SER 61 HB2 SER 61 3.123 -4.965 3.550 408 2HB SER 61 HB1 SER 61 3.514 -3.252 3.430 409 HG SER 61 HG SER 61 2.361 -2.903 5.153 410 H ALA 62 H ALA 62 -0.597 -2.731 2.782 411 HA ALA 62 HA ALA 62 -0.063 -0.190 1.514 412 1HB ALA 62 HB1 ALA 62 -2.319 -1.506 2.731 413 2HB ALA 62 HB2 ALA 62 -2.308 -0.123 1.636 414 3HB ALA 62 HB3 ALA 62 -2.177 0.129 3.377 415 H ASP 63 H ASP 63 -0.126 -1.317 4.878 416 HA ASP 63 HA ASP 63 0.647 1.345 5.854 417 1HB ASP 63 HB2 ASP 63 0.726 -1.135 7.548 418 2HB ASP 63 HB1 ASP 63 0.277 0.509 8.003 419 H CYS 64 H CYS 64 2.605 0.919 7.707 420 HA CYS 64 HA CYS 64 4.782 -0.328 6.091 421 1HB CYS 64 HB2 CYS 64 5.252 1.973 6.099 422 2HB CYS 64 HB1 CYS 64 4.821 2.163 7.793 423 HA PRO 65 HA PRO 65 4.757 -2.762 9.867 424 1HB PRO 65 HB2 PRO 65 5.092 -5.104 8.496 425 2HB PRO 65 HB1 PRO 65 3.510 -4.385 8.797 426 1HG PRO 65 HG2 PRO 65 5.026 -4.603 6.268 427 2HG PRO 65 HG1 PRO 65 3.303 -4.277 6.511 428 1HD PRO 65 HD2 PRO 65 5.378 -2.379 5.900 429 2HD PRO 65 HD1 PRO 65 3.661 -2.045 6.187 430 H ARG 66 H ARG 66 7.055 -2.019 7.477 431 HA ARG 66 HA ARG 66 9.126 -3.878 8.391 432 1HB ARG 66 HB2 ARG 66 9.057 -3.094 6.047 433 2HB ARG 66 HB1 ARG 66 9.350 -1.444 6.597 434 1HG ARG 66 HG2 ARG 66 11.562 -1.833 6.970 435 2HG ARG 66 HG1 ARG 66 11.263 -3.442 7.631 436 1HD ARG 66 HD2 ARG 66 10.652 -4.025 5.130 437 2HD ARG 66 HD1 ARG 66 11.642 -2.609 4.773 438 HE ARG 66 HE ARG 66 13.550 -3.851 5.407 439 1HH1 ARG 66 1HH2 ARG 66 11.983 -6.293 4.571 440 2HH1 ARG 66 2HH2 ARG 66 12.163 -7.315 5.957 441 1HH2 ARG 66 1HH1 ARG 66 13.205 -4.752 8.044 442 2HH2 ARG 66 2HH1 ARG 66 12.853 -6.442 7.924 443 H TYR 67 H TYR 67 8.901 -3.132 10.708 444 HA TYR 67 HA TYR 67 10.342 -0.564 11.189 445 1HB TYR 67 HB2 TYR 67 8.028 -1.467 12.336 446 2HB TYR 67 HB1 TYR 67 9.227 -2.024 13.504 447 HD1 TYR 67 HD2 TYR 67 8.270 1.005 11.515 448 HD2 TYR 67 HD1 TYR 67 10.082 -0.529 15.095 449 HE1 TYR 67 HE2 TYR 67 8.494 3.313 12.393 450 HE2 TYR 67 HE1 TYR 67 10.306 1.779 15.971 451 HH TYR 67 HH TYR 67 8.964 4.551 14.211 452 H HIS 68 H HIS 68 11.279 -3.494 10.546 453 HA HIS 68 HA HIS 68 12.949 -4.974 11.323 454 1HB HIS 68 HB2 HIS 68 14.087 -2.717 10.642 455 2HB HIS 68 HB1 HIS 68 14.330 -2.517 12.378 456 HD1 HIS 68 HD1 HIS 68 15.970 -4.134 13.556 457 HD2 HIS 68 HD2 HIS 68 15.563 -4.873 9.474 458 HE1 HIS 68 HE1 HIS 68 17.817 -5.750 12.934 Start of MODEL 13 1 1H GLY 1 HT1 GLY 1 -13.877 -7.557 13.809 2 2H GLY 1 HT2 GLY 1 -15.182 -7.144 14.814 3 3H GLY 1 HT3 GLY 1 -13.593 -6.773 15.286 4 1HA GLY 1 HA1 GLY 1 -15.378 -5.344 13.529 5 2HA GLY 1 HA2 GLY 1 -14.006 -4.752 14.465 6 H LYS 2 H LYS 2 -14.397 -7.144 11.818 7 HA LYS 2 HA LYS 2 -11.962 -5.993 10.562 8 1HB LYS 2 HB2 LYS 2 -12.455 -8.556 10.950 9 2HB LYS 2 HB1 LYS 2 -13.413 -8.388 9.478 10 1HG LYS 2 HG2 LYS 2 -11.416 -7.397 8.346 11 2HG LYS 2 HG1 LYS 2 -10.474 -7.721 9.801 12 1HD LYS 2 HD2 LYS 2 -12.006 -10.036 8.797 13 2HD LYS 2 HD1 LYS 2 -10.730 -9.475 7.715 14 1HE LYS 2 HE2 LYS 2 -9.053 -10.033 9.178 15 2HE LYS 2 HE1 LYS 2 -10.033 -9.679 10.601 16 1HZ LYS 2 HZ1 LYS 2 -10.786 -11.943 8.896 17 2HZ LYS 2 HZ2 LYS 2 -10.994 -11.731 10.569 18 3HZ LYS 2 HZ3 LYS 2 -9.464 -12.126 9.945 19 H GLU 3 H GLU 3 -14.627 -4.657 10.525 20 HA GLU 3 HA GLU 3 -15.226 -4.789 7.601 21 1HB GLU 3 HB2 GLU 3 -16.837 -3.729 9.941 22 2HB GLU 3 HB1 GLU 3 -17.317 -3.538 8.254 23 1HG GLU 3 HG2 GLU 3 -17.420 -5.943 7.952 24 2HG GLU 3 HG1 GLU 3 -16.764 -6.214 9.567 25 H CYS 4 H CYS 4 -13.047 -3.254 9.216 26 HA CYS 4 HA CYS 4 -13.658 -0.601 7.983 27 1HB CYS 4 HB2 CYS 4 -12.798 -1.288 10.719 28 2HB CYS 4 HB1 CYS 4 -11.859 -0.002 9.963 29 H ASP 5 H ASP 5 -12.296 -0.342 6.276 30 HA ASP 5 HA ASP 5 -9.678 -1.727 6.295 31 1HB ASP 5 HB2 ASP 5 -11.282 -1.722 4.290 32 2HB ASP 5 HB1 ASP 5 -10.814 -0.036 4.061 33 H CYS 6 H CYS 6 -10.985 1.364 6.951 34 HA CYS 6 HA CYS 6 -8.221 2.498 6.933 35 1HB CYS 6 HB2 CYS 6 -9.108 4.650 6.179 36 2HB CYS 6 HB1 CYS 6 -9.530 3.397 5.011 37 H SER 7 H SER 7 -7.901 4.180 8.560 38 HA SER 7 HA SER 7 -9.656 3.748 10.911 39 1HB SER 7 HB2 SER 7 -6.840 4.432 10.485 40 2HB SER 7 HB1 SER 7 -7.612 5.451 11.698 41 HG SER 7 HG SER 7 -6.999 2.769 11.746 42 H SER 8 H SER 8 -9.647 5.807 8.351 43 HA SER 8 HA SER 8 -10.627 8.083 10.023 44 1HB SER 8 HB2 SER 8 -10.153 9.225 7.601 45 2HB SER 8 HB1 SER 8 -8.970 9.181 8.904 46 HG SER 8 HG SER 8 -9.269 7.193 6.892 47 HA PRO 9 HA PRO 9 -14.466 7.114 7.988 48 1HB PRO 9 HB2 PRO 9 -15.915 9.129 9.172 49 2HB PRO 9 HB1 PRO 9 -15.507 7.609 9.986 50 1HG PRO 9 HG2 PRO 9 -14.341 10.322 10.386 51 2HG PRO 9 HG1 PRO 9 -14.446 8.968 11.523 52 1HD PRO 9 HD2 PRO 9 -12.141 9.743 10.070 53 2HD PRO 9 HD1 PRO 9 -12.357 8.215 10.952 54 H GLU 10 H GLU 10 -12.907 10.266 7.984 55 HA GLU 10 HA GLU 10 -14.623 11.352 5.874 56 1HB GLU 10 HB2 GLU 10 -12.175 12.279 7.345 57 2HB GLU 10 HB1 GLU 10 -12.623 13.074 5.835 58 1HG GLU 10 HG2 GLU 10 -14.225 14.239 6.897 59 2HG GLU 10 HG1 GLU 10 -14.984 12.739 7.431 60 H ASN 11 H ASN 11 -11.983 9.220 6.007 61 HA ASN 11 HA ASN 11 -10.576 9.887 3.621 62 1HB ASN 11 HB2 ASN 11 -9.825 8.231 5.356 63 2HB ASN 11 HB1 ASN 11 -11.045 7.112 4.745 64 1HD2 ASN 11 1HD2 ASN 11 -7.807 7.772 4.482 65 2HD2 ASN 11 2HD2 ASN 11 -7.527 7.203 2.908 66 HA PRO 12 HA PRO 12 -13.855 8.808 0.790 67 1HB PRO 12 HB2 PRO 12 -12.473 9.515 -1.478 68 2HB PRO 12 HB1 PRO 12 -13.277 10.685 -0.416 69 1HG PRO 12 HG2 PRO 12 -10.367 10.096 -0.702 70 2HG PRO 12 HG1 PRO 12 -11.163 11.590 -0.182 71 1HD PRO 12 HD2 PRO 12 -9.936 9.689 1.517 72 2HD PRO 12 HD1 PRO 12 -11.015 11.005 2.028 73 H CYS 13 H CYS 13 -10.519 7.672 0.578 74 HA CYS 13 HA CYS 13 -10.767 5.766 -1.488 75 1HB CYS 13 HB2 CYS 13 -8.715 6.498 0.043 76 2HB CYS 13 HB1 CYS 13 -9.183 5.062 0.944 77 H CYS 14 H CYS 14 -11.619 5.517 1.949 78 HA CYS 14 HA CYS 14 -12.695 2.789 1.407 79 1HB CYS 14 HB2 CYS 14 -12.772 2.591 3.893 80 2HB CYS 14 HB1 CYS 14 -11.147 2.901 3.285 81 H ASP 15 H ASP 15 -14.867 2.540 1.265 82 HA ASP 15 HA ASP 15 -16.722 4.642 1.235 83 1HB ASP 15 HB2 ASP 15 -16.970 2.101 0.592 84 2HB ASP 15 HB1 ASP 15 -17.549 1.935 2.249 85 H ALA 16 H ALA 16 -17.451 5.938 2.848 86 HA ALA 16 HA ALA 16 -16.662 5.638 5.570 87 1HB ALA 16 HB1 ALA 16 -19.075 7.174 4.566 88 2HB ALA 16 HB2 ALA 16 -17.421 7.779 4.464 89 3HB ALA 16 HB3 ALA 16 -18.154 7.480 6.040 90 H ALA 17 H ALA 17 -19.649 4.726 3.879 91 HA ALA 17 HA ALA 17 -21.123 3.929 6.194 92 1HB ALA 17 HB1 ALA 17 -21.284 3.425 3.266 93 2HB ALA 17 HB2 ALA 17 -22.533 3.976 4.384 94 3HB ALA 17 HB3 ALA 17 -22.109 2.266 4.309 95 H THR 18 H THR 18 -19.537 1.767 3.815 96 HA THR 18 HA THR 18 -19.529 -0.428 5.733 97 HB THR 18 HB THR 18 -18.497 -1.710 3.978 98 HG1 THR 18 HG1 THR 18 -17.947 -0.329 2.018 99 1HG2 THR 18 1HG2 THR 18 -19.915 -0.773 1.934 100 2HG2 THR 18 2HG2 THR 18 -20.613 0.251 3.189 101 3HG2 THR 18 3HG2 THR 18 -20.707 -1.505 3.331 102 H CYS 19 H CYS 19 -17.624 2.293 5.437 103 HA CYS 19 HA CYS 19 -15.472 2.845 6.219 104 1HB CYS 19 HB2 CYS 19 -16.538 2.098 8.328 105 2HB CYS 19 HB1 CYS 19 -16.035 0.442 7.987 106 H LYS 20 H LYS 20 -15.691 0.918 3.955 107 HA LYS 20 HA LYS 20 -12.978 -0.274 4.283 108 1HB LYS 20 HB2 LYS 20 -15.492 -1.688 3.408 109 2HB LYS 20 HB1 LYS 20 -13.897 -2.274 2.934 110 1HG LYS 20 HG2 LYS 20 -13.661 -1.761 5.673 111 2HG LYS 20 HG1 LYS 20 -15.255 -2.496 5.502 112 1HD LYS 20 HD2 LYS 20 -12.665 -3.638 4.407 113 2HD LYS 20 HD1 LYS 20 -13.517 -4.218 5.839 114 1HE LYS 20 HE2 LYS 20 -15.395 -4.939 4.549 115 2HE LYS 20 HE1 LYS 20 -14.832 -4.076 3.118 116 1HZ LYS 20 HZ1 LYS 20 -12.840 -5.860 4.045 117 2HZ LYS 20 HZ2 LYS 20 -13.613 -5.813 2.533 118 3HZ LYS 20 HZ3 LYS 20 -14.296 -6.697 3.812 119 H LEU 21 H LEU 21 -12.071 -0.947 2.108 120 HA LEU 21 HA LEU 21 -11.928 1.189 0.317 121 1HB LEU 21 HB2 LEU 21 -11.324 -1.725 0.142 122 2HB LEU 21 HB1 LEU 21 -11.380 -0.822 -1.370 123 HG LEU 21 HG LEU 21 -9.883 0.422 0.884 124 1HD1 LEU 21 1HD1 LEU 21 -9.377 -2.201 0.502 125 2HD1 LEU 21 2HD1 LEU 21 -8.112 -1.039 0.900 126 3HD1 LEU 21 3HD1 LEU 21 -8.367 -1.527 -0.776 127 1HD2 LEU 21 1HD2 LEU 21 -9.775 0.277 -2.116 128 2HD2 LEU 21 2HD2 LEU 21 -8.326 0.741 -1.222 129 3HD2 LEU 21 3HD2 LEU 21 -9.800 1.698 -1.072 130 H ARG 22 H ARG 22 -13.525 2.091 -0.891 131 HA ARG 22 HA ARG 22 -15.881 0.492 -1.635 132 1HB ARG 22 HB2 ARG 22 -15.767 3.036 -0.894 133 2HB ARG 22 HB1 ARG 22 -15.476 3.293 -2.613 134 1HG ARG 22 HG2 ARG 22 -17.573 1.443 -2.529 135 2HG ARG 22 HG1 ARG 22 -17.956 2.613 -1.267 136 1HD ARG 22 HD2 ARG 22 -17.042 4.182 -3.384 137 2HD ARG 22 HD1 ARG 22 -18.021 2.940 -4.163 138 HE ARG 22 HE ARG 22 -19.599 3.780 -2.052 139 1HH1 ARG 22 1HH1 ARG 22 -18.176 6.412 -2.343 140 2HH1 ARG 22 2HH1 ARG 22 -19.175 7.236 -3.494 141 1HH2 ARG 22 1HH2 ARG 22 -20.800 4.354 -4.536 142 2HH2 ARG 22 2HH2 ARG 22 -20.665 6.070 -4.734 143 HA PRO 23 HA PRO 23 -14.116 1.426 -5.966 144 1HB PRO 23 HB2 PRO 23 -11.623 2.567 -6.122 145 2HB PRO 23 HB1 PRO 23 -13.122 3.508 -6.040 146 1HG PRO 23 HG2 PRO 23 -11.062 3.088 -3.937 147 2HG PRO 23 HG1 PRO 23 -12.236 4.402 -4.110 148 1HD PRO 23 HD2 PRO 23 -12.425 2.166 -2.349 149 2HD PRO 23 HD1 PRO 23 -13.681 3.378 -2.665 150 H GLY 24 H GLY 24 -11.596 0.913 -7.086 151 1HA GLY 24 HA2 GLY 24 -11.084 -1.818 -6.053 152 2HA GLY 24 HA1 GLY 24 -10.547 -1.190 -7.612 153 H ALA 25 H ALA 25 -10.113 0.821 -4.831 154 HA ALA 25 HA ALA 25 -7.261 0.942 -5.211 155 1HB ALA 25 HB1 ALA 25 -8.037 2.894 -4.242 156 2HB ALA 25 HB2 ALA 25 -7.514 2.041 -2.789 157 3HB ALA 25 HB3 ALA 25 -9.218 2.051 -3.240 158 H GLN 26 H GLN 26 -5.598 0.130 -3.809 159 HA GLN 26 HA GLN 26 -6.167 -2.505 -2.725 160 1HB GLN 26 HB2 GLN 26 -3.802 -0.863 -3.291 161 2HB GLN 26 HB1 GLN 26 -3.642 -1.827 -1.823 162 1HG GLN 26 HG2 GLN 26 -2.867 -3.104 -3.781 163 2HG GLN 26 HG1 GLN 26 -4.307 -3.849 -3.085 164 1HE2 GLN 26 1HE2 GLN 26 -2.985 -2.926 -6.019 165 2HE2 GLN 26 2HE2 GLN 26 -4.416 -2.750 -6.915 166 H CYS 27 H CYS 27 -5.117 0.590 -1.246 167 HA CYS 27 HA CYS 27 -6.297 -0.429 1.299 168 1HB CYS 27 HB2 CYS 27 -4.375 -0.077 2.431 169 2HB CYS 27 HB1 CYS 27 -3.593 0.048 0.863 170 H GLY 28 H GLY 28 -7.399 1.137 2.566 171 1HA GLY 28 HA2 GLY 28 -8.373 3.426 1.005 172 2HA GLY 28 HA1 GLY 28 -9.020 2.883 2.552 173 H GLU 29 H GLU 29 -6.128 2.770 3.555 174 HA GLU 29 HA GLU 29 -5.278 5.569 3.566 175 1HB GLU 29 HB2 GLU 29 -7.162 5.563 5.201 176 2HB GLU 29 HB1 GLU 29 -6.317 4.325 6.129 177 1HG GLU 29 HG2 GLU 29 -4.868 6.855 5.429 178 2HG GLU 29 HG1 GLU 29 -6.029 6.873 6.758 179 H GLY 30 H GLY 30 -3.173 5.795 4.488 180 1HA GLY 30 HA2 GLY 30 -1.716 4.104 6.094 181 2HA GLY 30 HA1 GLY 30 -1.622 3.315 4.520 182 H LEU 31 H LEU 31 0.772 4.088 5.380 183 HA LEU 31 HA LEU 31 1.288 6.784 4.216 184 1HB LEU 31 HB2 LEU 31 3.688 6.103 5.200 185 2HB LEU 31 HB1 LEU 31 2.456 6.860 6.203 186 HG LEU 31 HG LEU 31 1.672 4.555 6.841 187 1HD1 LEU 31 1HD1 LEU 31 2.434 2.870 5.538 188 2HD1 LEU 31 2HD1 LEU 31 3.987 3.061 6.336 189 3HD1 LEU 31 3HD1 LEU 31 3.672 3.898 4.827 190 1HD2 LEU 31 1HD2 LEU 31 3.198 5.924 8.256 191 2HD2 LEU 31 2HD2 LEU 31 4.577 5.173 7.456 192 3HD2 LEU 31 3HD2 LEU 31 3.487 4.195 8.439 193 H CYS 32 H CYS 32 1.765 3.388 3.923 194 HA CYS 32 HA CYS 32 3.635 3.651 1.643 195 1HB CYS 32 HB2 CYS 32 2.397 1.279 3.072 196 2HB CYS 32 HB1 CYS 32 3.453 1.125 1.667 197 H CYS 33 H CYS 33 0.806 4.655 1.610 198 HA CYS 33 HA CYS 33 -0.265 2.919 -0.570 199 1HB CYS 33 HB2 CYS 33 -1.641 4.652 1.489 200 2HB CYS 33 HB1 CYS 33 -2.477 4.059 0.059 201 H GLU 34 H GLU 34 0.562 3.921 -2.395 202 HA GLU 34 HA GLU 34 0.275 6.873 -2.629 203 1HB GLU 34 HB2 GLU 34 2.484 5.785 -3.179 204 2HB GLU 34 HB1 GLU 34 1.678 4.947 -4.507 205 1HG GLU 34 HG2 GLU 34 1.106 7.052 -5.566 206 2HG GLU 34 HG1 GLU 34 1.718 7.961 -4.185 207 H GLN 35 H GLN 35 -1.562 7.560 -3.625 208 HA GLN 35 HA GLN 35 -3.336 7.623 -5.168 209 1HB GLN 35 HB2 GLN 35 -1.252 6.296 -6.537 210 2HB GLN 35 HB1 GLN 35 -2.689 5.296 -6.765 211 1HG GLN 35 HG2 GLN 35 -3.855 6.979 -7.866 212 2HG GLN 35 HG1 GLN 35 -2.920 8.267 -7.105 213 1HE2 GLN 35 1HE2 GLN 35 -2.990 6.003 -9.796 214 2HE2 GLN 35 2HE2 GLN 35 -1.601 6.595 -10.574 215 H CYS 36 H CYS 36 -3.276 5.991 -2.726 216 HA CYS 36 HA CYS 36 -4.690 4.477 -1.640 217 1HB CYS 36 HB2 CYS 36 -6.158 5.018 -4.191 218 2HB CYS 36 HB1 CYS 36 -6.658 3.648 -3.212 219 H LYS 37 H LYS 37 -2.515 3.731 -3.808 220 HA LYS 37 HA LYS 37 -3.307 0.857 -4.016 221 1HB LYS 37 HB2 LYS 37 -2.638 2.435 -6.081 222 2HB LYS 37 HB1 LYS 37 -1.018 1.935 -5.594 223 1HG LYS 37 HG2 LYS 37 -1.515 -0.366 -5.908 224 2HG LYS 37 HG1 LYS 37 -3.252 -0.061 -5.969 225 1HD LYS 37 HD2 LYS 37 -2.567 1.470 -8.028 226 2HD LYS 37 HD1 LYS 37 -1.172 0.390 -8.074 227 1HE LYS 37 HE2 LYS 37 -2.557 -0.923 -9.328 228 2HE LYS 37 HE1 LYS 37 -3.185 -1.414 -7.755 229 1HZ LYS 37 HZ1 LYS 37 -4.266 0.713 -9.518 230 2HZ LYS 37 HZ2 LYS 37 -4.809 0.418 -7.937 231 3HZ LYS 37 HZ3 LYS 37 -5.002 -0.767 -9.138 232 H PHE 38 H PHE 38 -1.890 -0.694 -3.195 233 HA PHE 38 HA PHE 38 -0.243 -0.086 -1.016 234 1HB PHE 38 HB2 PHE 38 -0.200 -2.394 -2.968 235 2HB PHE 38 HB1 PHE 38 0.908 -2.321 -1.598 236 HD1 PHE 38 HD2 PHE 38 -0.717 -1.101 0.509 237 HD2 PHE 38 HD1 PHE 38 -1.800 -4.033 -2.439 238 HE1 PHE 38 HE2 PHE 38 -2.510 -1.943 2.003 239 HE2 PHE 38 HE1 PHE 38 -3.592 -4.872 -0.944 240 HZ PHE 38 HZ PHE 38 -3.947 -3.828 1.275 241 H SER 39 H SER 39 1.321 1.468 -1.187 242 HA SER 39 HA SER 39 2.817 2.293 -3.351 243 1HB SER 39 HB2 SER 39 2.967 3.285 -1.069 244 2HB SER 39 HB1 SER 39 3.922 1.899 -0.552 245 HG SER 39 HG SER 39 4.554 3.910 -2.435 246 H ARG 40 H ARG 40 5.176 1.813 -3.857 247 HA ARG 40 HA ARG 40 5.473 -1.088 -4.218 248 1HB ARG 40 HB2 ARG 40 6.439 1.276 -5.530 249 2HB ARG 40 HB1 ARG 40 7.818 0.284 -5.054 250 1HG ARG 40 HG2 ARG 40 7.102 -1.552 -6.320 251 2HG ARG 40 HG1 ARG 40 5.431 -0.990 -6.368 252 1HD ARG 40 HD2 ARG 40 7.389 0.861 -7.581 253 2HD ARG 40 HD1 ARG 40 7.206 -0.679 -8.423 254 HE ARG 40 HE ARG 40 5.325 1.435 -8.540 255 1HH1 ARG 40 1HH2 ARG 40 5.684 -1.739 -9.372 256 2HH1 ARG 40 2HH2 ARG 40 4.006 -2.163 -9.287 257 1HH2 ARG 40 1HH1 ARG 40 3.060 0.814 -7.781 258 2HH2 ARG 40 2HH1 ARG 40 2.521 -0.720 -8.380 259 H ALA 41 H ALA 41 7.470 -2.199 -3.579 260 HA ALA 41 HA ALA 41 8.147 -1.745 -0.836 261 1HB ALA 41 HB1 ALA 41 8.619 -3.759 -2.749 262 2HB ALA 41 HB2 ALA 41 9.080 -3.791 -1.047 263 3HB ALA 41 HB3 ALA 41 10.217 -3.200 -2.257 264 H GLY 42 H GLY 42 10.407 -1.280 -0.066 265 1HA GLY 42 HA2 GLY 42 12.361 0.038 -0.078 266 2HA GLY 42 HA1 GLY 42 12.186 0.196 -1.828 267 H LYS 43 H LYS 43 9.489 0.952 0.254 268 HA LYS 43 HA LYS 43 9.851 3.832 -0.494 269 1HB LYS 43 HB2 LYS 43 7.760 3.097 -1.314 270 2HB LYS 43 HB1 LYS 43 7.419 2.168 0.140 271 1HG LYS 43 HG2 LYS 43 6.101 4.273 0.054 272 2HG LYS 43 HG1 LYS 43 7.191 4.237 1.439 273 1HD LYS 43 HD2 LYS 43 8.807 5.627 0.271 274 2HD LYS 43 HD1 LYS 43 7.840 5.575 -1.202 275 1HE LYS 43 HE2 LYS 43 6.113 6.890 -0.251 276 2HE LYS 43 HE1 LYS 43 6.707 6.630 1.388 277 1HZ LYS 43 HZ1 LYS 43 7.694 8.597 1.096 278 2HZ LYS 43 HZ2 LYS 43 7.554 8.542 -0.597 279 3HZ LYS 43 HZ3 LYS 43 8.835 7.741 0.180 280 H ILE 44 H ILE 44 10.790 4.963 1.117 281 HA ILE 44 HA ILE 44 11.120 4.209 3.782 282 HB ILE 44 HB ILE 44 11.377 6.677 2.224 283 1HG1 ILE 44 2HG1 ILE 44 13.217 5.166 2.973 284 2HG1 ILE 44 1HG1 ILE 44 13.448 6.835 3.494 285 1HG2 ILE 44 1HG2 ILE 44 10.622 6.855 5.148 286 2HG2 ILE 44 2HG2 ILE 44 9.938 7.753 3.792 287 3HG2 ILE 44 3HG2 ILE 44 11.576 8.101 4.343 288 1HD1 ILE 44 1HD1 ILE 44 12.036 5.888 5.604 289 2HD1 ILE 44 2HD1 ILE 44 13.798 5.851 5.530 290 3HD1 ILE 44 3HD1 ILE 44 12.867 4.413 5.110 291 H CYS 45 H CYS 45 9.459 3.536 5.059 292 HA CYS 45 HA CYS 45 7.010 5.253 5.201 293 1HB CYS 45 HB2 CYS 45 5.813 3.331 5.983 294 2HB CYS 45 HB1 CYS 45 6.733 2.811 4.591 295 H ARG 46 H ARG 46 9.876 4.614 6.791 296 HA ARG 46 HA ARG 46 8.902 5.955 9.214 297 1HB ARG 46 HB2 ARG 46 9.322 3.067 9.109 298 2HB ARG 46 HB1 ARG 46 10.342 3.840 10.323 299 1HG ARG 46 HG2 ARG 46 8.371 4.953 11.291 300 2HG ARG 46 HG1 ARG 46 7.341 4.204 10.069 301 1HD ARG 46 HD2 ARG 46 7.677 2.034 10.949 302 2HD ARG 46 HD1 ARG 46 9.095 2.535 11.870 303 HE ARG 46 HE ARG 46 7.622 3.103 13.606 304 1HH1 ARG 46 1HH2 ARG 46 6.322 5.362 12.190 305 2HH1 ARG 46 2HH2 ARG 46 4.664 4.865 12.125 306 1HH2 ARG 46 1HH1 ARG 46 5.360 1.538 12.813 307 2HH2 ARG 46 2HH1 ARG 46 4.119 2.699 12.478 308 H ILE 47 H ILE 47 10.439 7.504 9.434 309 HA ILE 47 HA ILE 47 13.291 6.684 9.055 310 HB ILE 47 HB ILE 47 12.456 8.127 7.196 311 1HG1 ILE 47 2HG1 ILE 47 14.306 9.711 7.280 312 2HG1 ILE 47 1HG1 ILE 47 14.428 9.526 9.030 313 1HG2 ILE 47 1HG2 ILE 47 11.157 9.470 9.289 314 2HG2 ILE 47 2HG2 ILE 47 11.220 9.970 7.598 315 3HG2 ILE 47 3HG2 ILE 47 12.410 10.587 8.746 316 1HD1 ILE 47 1HD1 ILE 47 14.751 7.221 7.094 317 2HD1 ILE 47 2HD1 ILE 47 15.118 7.232 8.818 318 3HD1 ILE 47 3HD1 ILE 47 16.107 8.171 7.701 319 HA PRO 48 HA PRO 48 12.648 8.452 13.270 320 1HB PRO 48 HB2 PRO 48 13.781 6.322 14.593 321 2HB PRO 48 HB1 PRO 48 12.058 6.424 14.194 322 1HG PRO 48 HG2 PRO 48 14.181 4.764 12.920 323 2HG PRO 48 HG1 PRO 48 12.435 4.476 13.012 324 1HD PRO 48 HD2 PRO 48 13.835 5.462 10.757 325 2HD PRO 48 HD1 PRO 48 12.072 5.476 10.982 326 H ARG 49 H ARG 49 14.236 9.899 13.809 327 HA ARG 49 HA ARG 49 16.975 9.548 12.877 328 1HB ARG 49 HB2 ARG 49 15.881 11.619 14.804 329 2HB ARG 49 HB1 ARG 49 17.382 11.722 13.882 330 1HG ARG 49 HG2 ARG 49 15.237 11.166 12.064 331 2HG ARG 49 HG1 ARG 49 14.777 12.538 13.073 332 1HD ARG 49 HD2 ARG 49 17.569 12.619 12.139 333 2HD ARG 49 HD1 ARG 49 16.372 12.715 10.847 334 HE ARG 49 HE ARG 49 15.710 14.501 13.024 335 1HH1 ARG 49 1HH1 ARG 49 18.289 14.104 10.835 336 2HH1 ARG 49 2HH1 ARG 49 18.274 15.746 10.282 337 1HH2 ARG 49 1HH2 ARG 49 15.439 16.605 12.086 338 2HH2 ARG 49 2HH2 ARG 49 16.659 17.163 10.992 339 H GLY 50 H GLY 50 18.309 10.690 15.180 340 1HA GLY 50 HA2 GLY 50 19.226 10.063 17.262 341 2HA GLY 50 HA1 GLY 50 17.878 8.946 17.468 342 H ASP 51 H ASP 51 19.857 8.868 14.583 343 HA ASP 51 HA ASP 51 21.322 7.226 13.767 344 1HB ASP 51 HB2 ASP 51 21.871 7.368 16.667 345 2HB ASP 51 HB1 ASP 51 22.338 5.848 15.904 346 H MET 52 H MET 52 19.010 6.343 13.247 347 HA MET 52 HA MET 52 18.862 3.585 14.378 348 1HB MET 52 HB2 MET 52 16.826 5.702 14.449 349 2HB MET 52 HB1 MET 52 16.236 4.190 13.759 350 1HG MET 52 HG2 MET 52 15.955 3.510 15.899 351 2HG MET 52 HG1 MET 52 17.710 3.332 15.937 352 1HE MET 52 HE1 MET 52 14.920 5.471 18.205 353 2HE MET 52 HE2 MET 52 16.118 4.543 19.104 354 3HE MET 52 HE3 MET 52 15.302 3.811 17.725 355 HA PRO 53 HA PRO 53 18.389 2.295 10.210 356 1HB PRO 53 HB2 PRO 53 16.626 0.203 10.478 357 2HB PRO 53 HB1 PRO 53 18.321 0.123 10.989 358 1HG PRO 53 HG2 PRO 53 15.867 0.378 12.665 359 2HG PRO 53 HG1 PRO 53 17.442 -0.316 13.082 360 1HD PRO 53 HD2 PRO 53 16.508 2.250 13.834 361 2HD PRO 53 HD1 PRO 53 18.184 1.671 13.955 362 H ASP 54 H ASP 54 16.862 2.188 8.382 363 HA ASP 54 HA ASP 54 14.479 3.897 8.852 364 1HB ASP 54 HB2 ASP 54 15.508 2.981 6.166 365 2HB ASP 54 HB1 ASP 54 14.558 4.420 6.545 366 H ASP 55 H ASP 55 12.595 3.252 7.237 367 HA ASP 55 HA ASP 55 12.273 0.294 7.162 368 1HB ASP 55 HB2 ASP 55 11.090 1.827 9.134 369 2HB ASP 55 HB1 ASP 55 9.822 1.732 7.911 370 H ARG 56 H ARG 56 12.109 0.034 4.972 371 HA ARG 56 HA ARG 56 10.535 1.994 3.396 372 1HB ARG 56 HB2 ARG 56 12.036 -0.370 2.294 373 2HB ARG 56 HB1 ARG 56 11.607 1.133 1.485 374 1HG ARG 56 HG2 ARG 56 13.086 2.072 3.583 375 2HG ARG 56 HG1 ARG 56 13.896 0.540 3.248 376 1HD ARG 56 HD2 ARG 56 14.235 1.152 0.931 377 2HD ARG 56 HD1 ARG 56 13.252 2.604 1.123 378 HE ARG 56 HE ARG 56 15.052 3.457 2.659 379 1HH1 ARG 56 1HH1 ARG 56 15.855 2.515 -0.310 380 2HH1 ARG 56 2HH1 ARG 56 17.481 2.014 0.023 381 1HH2 ARG 56 1HH2 ARG 56 17.081 2.086 3.467 382 2HH2 ARG 56 2HH2 ARG 56 18.174 1.773 2.159 383 H CYS 57 H CYS 57 8.602 1.490 2.444 384 HA CYS 57 HA CYS 57 6.972 -0.578 3.420 385 1HB CYS 57 HB2 CYS 57 6.764 0.509 0.605 386 2HB CYS 57 HB1 CYS 57 5.462 -0.083 1.635 387 H THR 58 H THR 58 6.277 -2.572 2.391 388 HA THR 58 HA THR 58 8.519 -3.915 1.005 389 HB THR 58 HB THR 58 7.586 -5.951 1.732 390 HG1 THR 58 HG1 THR 58 5.180 -4.525 2.201 391 1HG2 THR 58 1HG2 THR 58 7.873 -5.599 3.941 392 2HG2 THR 58 2HG2 THR 58 6.432 -4.585 4.034 393 3HG2 THR 58 3HG2 THR 58 7.976 -3.881 3.554 394 H GLY 59 H GLY 59 6.106 -2.097 -0.075 395 1HA GLY 59 HA2 GLY 59 5.368 -1.951 -2.339 396 2HA GLY 59 HA1 GLY 59 5.944 -3.594 -2.607 397 H GLN 60 H GLN 60 4.367 -4.091 0.108 398 HA GLN 60 HA GLN 60 1.673 -4.249 -1.177 399 1HB GLN 60 HB2 GLN 60 1.364 -6.482 -0.351 400 2HB GLN 60 HB1 GLN 60 2.929 -6.454 -1.165 401 1HG GLN 60 HG2 GLN 60 3.650 -5.721 1.367 402 2HG GLN 60 HG1 GLN 60 2.304 -6.812 1.700 403 1HE2 GLN 60 1HE2 GLN 60 5.498 -7.005 1.695 404 2HE2 GLN 60 2HE2 GLN 60 5.751 -8.523 0.980 405 H SER 61 H SER 61 3.498 -3.221 1.491 406 HA SER 61 HA SER 61 1.281 -3.514 3.421 407 1HB SER 61 HB2 SER 61 3.435 -3.764 4.397 408 2HB SER 61 HB1 SER 61 4.053 -2.328 3.587 409 HG SER 61 HG SER 61 3.042 -1.080 5.004 410 H ALA 62 H ALA 62 -0.136 -1.899 3.978 411 HA ALA 62 HA ALA 62 -0.106 0.558 2.346 412 1HB ALA 62 HB1 ALA 62 -2.200 0.915 4.017 413 2HB ALA 62 HB2 ALA 62 -2.067 -0.841 4.094 414 3HB ALA 62 HB3 ALA 62 -2.315 -0.041 2.541 415 H ASP 63 H ASP 63 0.011 -0.351 5.788 416 HA ASP 63 HA ASP 63 0.808 2.433 6.462 417 1HB ASP 63 HB2 ASP 63 0.286 0.112 8.345 418 2HB ASP 63 HB1 ASP 63 0.403 1.822 8.767 419 H CYS 64 H CYS 64 2.649 2.501 8.183 420 HA CYS 64 HA CYS 64 4.900 0.994 7.037 421 1HB CYS 64 HB2 CYS 64 5.137 3.413 7.554 422 2HB CYS 64 HB1 CYS 64 4.871 3.063 9.245 423 HA PRO 65 HA PRO 65 4.375 -2.002 10.274 424 1HB PRO 65 HB2 PRO 65 6.034 -3.815 9.076 425 2HB PRO 65 HB1 PRO 65 4.340 -3.616 8.631 426 1HG PRO 65 HG2 PRO 65 6.792 -2.805 7.165 427 2HG PRO 65 HG1 PRO 65 5.164 -3.115 6.541 428 1HD PRO 65 HD2 PRO 65 6.336 -0.572 7.009 429 2HD PRO 65 HD1 PRO 65 4.637 -0.901 6.620 430 H ARG 66 H ARG 66 6.423 -3.643 11.061 431 HA ARG 66 HA ARG 66 8.494 -1.704 11.992 432 1HB ARG 66 HB2 ARG 66 7.691 -4.379 13.181 433 2HB ARG 66 HB1 ARG 66 8.828 -3.226 13.883 434 1HG ARG 66 HG2 ARG 66 6.981 -1.530 13.946 435 2HG ARG 66 HG1 ARG 66 5.867 -2.787 13.410 436 1HD ARG 66 HD2 ARG 66 7.457 -2.717 15.984 437 2HD ARG 66 HD1 ARG 66 5.703 -2.696 15.805 438 HE ARG 66 HE ARG 66 7.436 -5.064 15.591 439 1HH1 ARG 66 1HH1 ARG 66 4.815 -4.915 17.087 440 2HH1 ARG 66 2HH1 ARG 66 3.764 -5.815 16.044 441 1HH2 ARG 66 1HH2 ARG 66 5.907 -5.665 13.321 442 2HH2 ARG 66 2HH2 ARG 66 4.384 -6.243 13.913 443 H TYR 67 H TYR 67 10.722 -2.441 12.027 444 HA TYR 67 HA TYR 67 11.235 -4.664 10.090 445 1HB TYR 67 HB2 TYR 67 11.909 -2.494 9.176 446 2HB TYR 67 HB1 TYR 67 12.862 -2.159 10.622 447 HD1 TYR 67 HD1 TYR 67 12.639 -5.549 9.212 448 HD2 TYR 67 HD2 TYR 67 14.964 -1.939 9.377 449 HE1 TYR 67 HE1 TYR 67 14.570 -6.746 8.218 450 HE2 TYR 67 HE2 TYR 67 16.894 -3.137 8.382 451 HH TYR 67 HH TYR 67 17.166 -6.407 8.268 452 H HIS 68 H HIS 68 11.495 -6.307 11.644 453 HA HIS 68 HA HIS 68 13.165 -5.941 13.996 454 1HB HIS 68 HB2 HIS 68 11.285 -7.823 13.162 455 2HB HIS 68 HB1 HIS 68 12.810 -8.709 13.141 456 HD1 HIS 68 HD1 HIS 68 11.112 -6.229 15.507 457 HD2 HIS 68 HD2 HIS 68 13.379 -9.724 15.634 458 HE1 HIS 68 HE1 HIS 68 11.361 -6.834 17.955 Start of MODEL 14 1 1H GLY 1 HT1 GLY 1 -7.022 -6.110 7.097 2 2H GLY 1 HT2 GLY 1 -5.997 -4.884 7.677 3 3H GLY 1 HT3 GLY 1 -6.920 -4.631 6.272 4 1HA GLY 1 HA1 GLY 1 -7.677 -4.401 9.052 5 2HA GLY 1 HA2 GLY 1 -8.345 -3.595 7.633 6 H LYS 2 H LYS 2 -9.390 -5.429 10.001 7 HA LYS 2 HA LYS 2 -10.704 -7.587 8.524 8 1HB LYS 2 HB2 LYS 2 -11.114 -6.563 11.350 9 2HB LYS 2 HB1 LYS 2 -11.837 -8.031 10.690 10 1HG LYS 2 HG2 LYS 2 -9.972 -9.163 11.232 11 2HG LYS 2 HG1 LYS 2 -9.056 -8.148 10.117 12 1HD LYS 2 HD2 LYS 2 -8.010 -7.181 11.855 13 2HD LYS 2 HD1 LYS 2 -9.562 -6.618 12.474 14 1HE LYS 2 HE2 LYS 2 -9.287 -8.019 14.214 15 2HE LYS 2 HE1 LYS 2 -9.483 -9.358 13.083 16 1HZ LYS 2 HZ1 LYS 2 -7.385 -9.894 13.468 17 2HZ LYS 2 HZ2 LYS 2 -7.163 -8.529 14.454 18 3HZ LYS 2 HZ3 LYS 2 -6.892 -8.425 12.781 19 H GLU 3 H GLU 3 -11.895 -4.702 10.297 20 HA GLU 3 HA GLU 3 -14.218 -4.699 8.412 21 1HB GLU 3 HB2 GLU 3 -14.087 -4.496 11.361 22 2HB GLU 3 HB1 GLU 3 -15.153 -3.330 10.577 23 1HG GLU 3 HG2 GLU 3 -15.860 -5.548 9.213 24 2HG GLU 3 HG1 GLU 3 -15.384 -6.288 10.743 25 H CYS 4 H CYS 4 -11.624 -2.919 9.820 26 HA CYS 4 HA CYS 4 -12.654 -0.452 8.480 27 1HB CYS 4 HB2 CYS 4 -11.462 -0.881 11.136 28 2HB CYS 4 HB1 CYS 4 -10.723 0.440 10.232 29 H ASP 5 H ASP 5 -11.518 -0.095 6.635 30 HA ASP 5 HA ASP 5 -8.688 -1.028 6.527 31 1HB ASP 5 HB2 ASP 5 -10.615 -1.600 4.767 32 2HB ASP 5 HB1 ASP 5 -10.117 -0.047 4.093 33 H CYS 6 H CYS 6 -10.390 1.731 7.187 34 HA CYS 6 HA CYS 6 -8.049 3.409 6.531 35 1HB CYS 6 HB2 CYS 6 -9.309 5.083 5.340 36 2HB CYS 6 HB1 CYS 6 -9.644 3.535 4.565 37 H SER 7 H SER 7 -7.670 4.772 8.222 38 HA SER 7 HA SER 7 -9.456 4.749 10.508 39 1HB SER 7 HB2 SER 7 -6.826 6.001 9.840 40 2HB SER 7 HB1 SER 7 -7.749 6.685 11.177 41 HG SER 7 HG SER 7 -6.208 4.700 11.396 42 H SER 8 H SER 8 -9.138 6.752 7.705 43 HA SER 8 HA SER 8 -10.710 8.917 9.005 44 1HB SER 8 HB2 SER 8 -9.277 8.807 6.339 45 2HB SER 8 HB1 SER 8 -10.211 10.189 6.908 46 HG SER 8 HG SER 8 -7.693 9.460 7.512 47 HA PRO 9 HA PRO 9 -14.258 7.196 6.934 48 1HB PRO 9 HB2 PRO 9 -16.034 9.094 7.828 49 2HB PRO 9 HB1 PRO 9 -15.466 7.741 8.822 50 1HG PRO 9 HG2 PRO 9 -14.711 10.622 8.967 51 2HG PRO 9 HG1 PRO 9 -14.690 9.392 10.241 52 1HD PRO 9 HD2 PRO 9 -12.437 10.334 8.804 53 2HD PRO 9 HD1 PRO 9 -12.489 8.894 9.844 54 H GLU 10 H GLU 10 -13.622 10.714 6.857 55 HA GLU 10 HA GLU 10 -15.202 11.357 4.598 56 1HB GLU 10 HB2 GLU 10 -13.809 13.331 4.373 57 2HB GLU 10 HB1 GLU 10 -14.026 13.007 6.094 58 1HG GLU 10 HG2 GLU 10 -11.789 11.504 5.463 59 2HG GLU 10 HG1 GLU 10 -11.576 12.957 4.483 60 H ASN 11 H ASN 11 -12.185 9.654 4.850 61 HA ASN 11 HA ASN 11 -11.013 9.985 2.345 62 1HB ASN 11 HB2 ASN 11 -10.054 8.555 4.091 63 2HB ASN 11 HB1 ASN 11 -11.375 7.403 3.893 64 1HD2 ASN 11 1HD2 ASN 11 -9.465 5.882 3.377 65 2HD2 ASN 11 2HD2 ASN 11 -8.914 5.841 1.772 66 HA PRO 12 HA PRO 12 -14.493 8.592 -0.133 67 1HB PRO 12 HB2 PRO 12 -13.428 9.453 -2.518 68 2HB PRO 12 HB1 PRO 12 -14.275 10.514 -1.380 69 1HG PRO 12 HG2 PRO 12 -11.349 10.300 -1.923 70 2HG PRO 12 HG1 PRO 12 -12.285 11.689 -1.344 71 1HD PRO 12 HD2 PRO 12 -10.678 10.005 0.258 72 2HD PRO 12 HD1 PRO 12 -11.897 11.154 0.852 73 H CYS 13 H CYS 13 -11.434 7.335 0.173 74 HA CYS 13 HA CYS 13 -11.720 5.469 -2.130 75 1HB CYS 13 HB2 CYS 13 -9.455 6.435 -0.478 76 2HB CYS 13 HB1 CYS 13 -9.382 4.739 -0.949 77 H CYS 14 H CYS 14 -12.760 5.643 0.989 78 HA CYS 14 HA CYS 14 -12.896 2.684 1.152 79 1HB CYS 14 HB2 CYS 14 -12.192 2.614 3.445 80 2HB CYS 14 HB1 CYS 14 -10.978 3.550 2.577 81 H ASP 15 H ASP 15 -14.972 2.107 1.475 82 HA ASP 15 HA ASP 15 -17.135 3.860 1.718 83 1HB ASP 15 HB2 ASP 15 -17.016 1.250 1.328 84 2HB ASP 15 HB1 ASP 15 -17.266 1.185 3.073 85 H ALA 16 H ALA 16 -17.747 5.190 3.356 86 HA ALA 16 HA ALA 16 -16.443 5.113 5.936 87 1HB ALA 16 HB1 ALA 16 -17.257 7.208 6.051 88 2HB ALA 16 HB2 ALA 16 -18.914 6.601 6.003 89 3HB ALA 16 HB3 ALA 16 -18.056 6.944 4.500 90 H ALA 17 H ALA 17 -19.482 3.882 4.658 91 HA ALA 17 HA ALA 17 -20.701 3.300 7.199 92 1HB ALA 17 HB1 ALA 17 -22.080 1.672 5.833 93 2HB ALA 17 HB2 ALA 17 -21.094 2.112 4.439 94 3HB ALA 17 HB3 ALA 17 -22.095 3.328 5.232 95 H THR 18 H THR 18 -18.944 1.210 4.880 96 HA THR 18 HA THR 18 -18.748 -0.912 6.908 97 HB THR 18 HB THR 18 -17.787 -2.251 5.178 98 HG1 THR 18 HG1 THR 18 -16.265 -0.835 4.385 99 1HG2 THR 18 1HG2 THR 18 -20.020 -2.162 4.599 100 2HG2 THR 18 2HG2 THR 18 -19.307 -1.486 3.136 101 3HG2 THR 18 3HG2 THR 18 -19.996 -0.415 4.354 102 H CYS 19 H CYS 19 -16.954 1.835 5.951 103 HA CYS 19 HA CYS 19 -14.895 2.665 6.710 104 1HB CYS 19 HB2 CYS 19 -15.720 1.875 8.918 105 2HB CYS 19 HB1 CYS 19 -15.015 0.292 8.596 106 H LYS 20 H LYS 20 -15.072 0.626 4.540 107 HA LYS 20 HA LYS 20 -12.236 -0.298 4.712 108 1HB LYS 20 HB2 LYS 20 -14.698 -1.876 4.091 109 2HB LYS 20 HB1 LYS 20 -13.222 -2.261 3.203 110 1HG LYS 20 HG2 LYS 20 -12.717 -1.899 6.054 111 2HG LYS 20 HG1 LYS 20 -13.889 -3.181 5.749 112 1HD LYS 20 HD2 LYS 20 -11.456 -3.100 4.021 113 2HD LYS 20 HD1 LYS 20 -11.259 -3.654 5.686 114 1HE LYS 20 HE2 LYS 20 -12.686 -5.481 5.385 115 2HE LYS 20 HE1 LYS 20 -13.497 -4.747 4.001 116 1HZ LYS 20 HZ1 LYS 20 -11.547 -6.594 3.840 117 2HZ LYS 20 HZ2 LYS 20 -10.668 -5.153 3.636 118 3HZ LYS 20 HZ3 LYS 20 -11.961 -5.516 2.598 119 H LEU 21 H LEU 21 -11.786 -1.208 2.224 120 HA LEU 21 HA LEU 21 -11.802 1.183 0.617 121 1HB LEU 21 HB2 LEU 21 -10.907 -1.636 0.269 122 2HB LEU 21 HB1 LEU 21 -11.182 -0.697 -1.199 123 HG LEU 21 HG LEU 21 -9.803 1.045 0.498 124 1HD1 LEU 21 1HD1 LEU 21 -8.598 -1.734 0.572 125 2HD1 LEU 21 2HD1 LEU 21 -9.235 -0.845 1.954 126 3HD1 LEU 21 3HD1 LEU 21 -7.796 -0.263 1.121 127 1HD2 LEU 21 1HD2 LEU 21 -8.145 -0.502 -1.378 128 2HD2 LEU 21 2HD2 LEU 21 -8.491 1.227 -1.348 129 3HD2 LEU 21 3HD2 LEU 21 -9.639 0.110 -2.085 130 H ARG 22 H ARG 22 -13.530 1.959 -0.476 131 HA ARG 22 HA ARG 22 -15.808 0.197 -1.047 132 1HB ARG 22 HB2 ARG 22 -16.624 2.236 -0.349 133 2HB ARG 22 HB1 ARG 22 -15.304 3.142 -1.080 134 1HG ARG 22 HG2 ARG 22 -16.270 2.689 -3.328 135 2HG ARG 22 HG1 ARG 22 -17.616 1.846 -2.559 136 1HD ARG 22 HD2 ARG 22 -18.407 3.827 -1.521 137 2HD ARG 22 HD1 ARG 22 -16.899 4.688 -1.830 138 HE ARG 22 HE ARG 22 -18.974 4.077 -3.878 139 1HH1 ARG 22 1HH2 ARG 22 -17.518 6.684 -2.646 140 2HH1 ARG 22 2HH2 ARG 22 -16.769 7.248 -4.102 141 1HH2 ARG 22 1HH1 ARG 22 -17.370 4.324 -5.863 142 2HH2 ARG 22 2HH1 ARG 22 -16.686 5.915 -5.922 143 HA PRO 23 HA PRO 23 -14.569 1.320 -5.523 144 1HB PRO 23 HB2 PRO 23 -12.152 2.570 -5.907 145 2HB PRO 23 HB1 PRO 23 -13.679 3.439 -5.671 146 1HG PRO 23 HG2 PRO 23 -11.420 3.067 -3.765 147 2HG PRO 23 HG1 PRO 23 -12.623 4.365 -3.840 148 1HD PRO 23 HD2 PRO 23 -12.637 2.181 -2.036 149 2HD PRO 23 HD1 PRO 23 -13.980 3.306 -2.329 150 H GLY 24 H GLY 24 -12.241 0.881 -6.951 151 1HA GLY 24 HA2 GLY 24 -11.500 -1.828 -6.029 152 2HA GLY 24 HA1 GLY 24 -11.167 -1.154 -7.624 153 H ALA 25 H ALA 25 -10.445 0.826 -4.881 154 HA ALA 25 HA ALA 25 -7.658 0.998 -5.592 155 1HB ALA 25 HB1 ALA 25 -9.325 1.968 -3.282 156 2HB ALA 25 HB2 ALA 25 -8.465 2.909 -4.501 157 3HB ALA 25 HB3 ALA 25 -7.567 2.100 -3.216 158 H GLN 26 H GLN 26 -5.841 0.247 -4.312 159 HA GLN 26 HA GLN 26 -6.371 -2.385 -3.087 160 1HB GLN 26 HB2 GLN 26 -4.165 -1.131 -4.464 161 2HB GLN 26 HB1 GLN 26 -3.621 -1.744 -2.901 162 1HG GLN 26 HG2 GLN 26 -3.387 -3.644 -4.223 163 2HG GLN 26 HG1 GLN 26 -5.018 -3.869 -3.588 164 1HE2 GLN 26 1HE2 GLN 26 -3.382 -2.294 -6.399 165 2HE2 GLN 26 2HE2 GLN 26 -4.604 -2.682 -7.510 166 H CYS 27 H CYS 27 -6.042 0.827 -2.097 167 HA CYS 27 HA CYS 27 -5.980 0.004 0.720 168 1HB CYS 27 HB2 CYS 27 -4.114 1.833 1.063 169 2HB CYS 27 HB1 CYS 27 -3.656 0.192 0.610 170 H GLY 28 H GLY 28 -6.530 1.858 2.139 171 1HA GLY 28 HA2 GLY 28 -8.108 3.888 0.637 172 2HA GLY 28 HA1 GLY 28 -8.421 3.397 2.300 173 H GLU 29 H GLU 29 -5.623 3.490 3.112 174 HA GLU 29 HA GLU 29 -4.604 6.140 2.550 175 1HB GLU 29 HB2 GLU 29 -5.016 7.077 4.800 176 2HB GLU 29 HB1 GLU 29 -6.517 6.773 3.934 177 1HG GLU 29 HG2 GLU 29 -7.168 5.609 5.757 178 2HG GLU 29 HG1 GLU 29 -6.030 4.368 5.228 179 H GLY 30 H GLY 30 -2.645 6.592 3.801 180 1HA GLY 30 HA2 GLY 30 -1.306 5.391 5.774 181 2HA GLY 30 HA1 GLY 30 -1.257 4.092 4.579 182 H LEU 31 H LEU 31 1.197 5.069 5.268 183 HA LEU 31 HA LEU 31 1.854 7.168 3.298 184 1HB LEU 31 HB2 LEU 31 3.693 7.622 4.549 185 2HB LEU 31 HB1 LEU 31 2.744 6.852 5.804 186 HG LEU 31 HG LEU 31 4.707 5.369 4.054 187 1HD1 LEU 31 1HD1 LEU 31 5.966 5.489 6.398 188 2HD1 LEU 31 2HD1 LEU 31 5.016 6.952 6.581 189 3HD1 LEU 31 3HD1 LEU 31 6.130 6.787 5.226 190 1HD2 LEU 31 1HD2 LEU 31 2.782 4.171 5.245 191 2HD2 LEU 31 2HD2 LEU 31 3.552 4.647 6.757 192 3HD2 LEU 31 3HD2 LEU 31 4.398 3.590 5.628 193 H CYS 32 H CYS 32 1.825 3.788 3.647 194 HA CYS 32 HA CYS 32 3.844 3.305 1.546 195 1HB CYS 32 HB2 CYS 32 1.959 1.430 3.009 196 2HB CYS 32 HB1 CYS 32 3.191 0.920 1.858 197 H CYS 33 H CYS 33 0.577 4.141 1.764 198 HA CYS 33 HA CYS 33 -0.113 2.826 -0.811 199 1HB CYS 33 HB2 CYS 33 -1.747 2.536 0.983 200 2HB CYS 33 HB1 CYS 33 -1.816 4.279 1.234 201 H GLU 34 H GLU 34 0.017 4.034 -2.641 202 HA GLU 34 HA GLU 34 0.005 7.011 -2.337 203 1HB GLU 34 HB2 GLU 34 2.115 5.835 -3.221 204 2HB GLU 34 HB1 GLU 34 1.174 5.492 -4.673 205 1HG GLU 34 HG2 GLU 34 0.638 8.017 -4.698 206 2HG GLU 34 HG1 GLU 34 1.967 8.178 -3.550 207 H GLN 35 H GLN 35 -1.926 7.828 -2.985 208 HA GLN 35 HA GLN 35 -3.798 8.231 -4.348 209 1HB GLN 35 HB2 GLN 35 -2.487 6.359 -6.337 210 2HB GLN 35 HB1 GLN 35 -3.687 7.608 -6.670 211 1HG GLN 35 HG2 GLN 35 -1.324 8.635 -5.274 212 2HG GLN 35 HG1 GLN 35 -0.947 7.942 -6.852 213 1HE2 GLN 35 1HE2 GLN 35 -1.159 9.409 -8.541 214 2HE2 GLN 35 2HE2 GLN 35 -2.203 10.748 -8.549 215 H CYS 36 H CYS 36 -3.913 6.206 -2.377 216 HA CYS 36 HA CYS 36 -5.345 4.465 -1.726 217 1HB CYS 36 HB2 CYS 36 -6.580 4.898 -4.462 218 2HB CYS 36 HB1 CYS 36 -7.313 4.031 -3.113 219 H LYS 37 H LYS 37 -2.899 4.150 -3.651 220 HA LYS 37 HA LYS 37 -3.485 1.295 -4.327 221 1HB LYS 37 HB2 LYS 37 -1.798 3.301 -5.854 222 2HB LYS 37 HB1 LYS 37 -1.841 1.572 -6.207 223 1HG LYS 37 HG2 LYS 37 -4.354 1.790 -6.461 224 2HG LYS 37 HG1 LYS 37 -4.137 3.539 -6.374 225 1HD LYS 37 HD2 LYS 37 -4.127 3.043 -8.699 226 2HD LYS 37 HD1 LYS 37 -2.429 3.253 -8.274 227 1HE LYS 37 HE2 LYS 37 -2.242 1.245 -9.376 228 2HE LYS 37 HE1 LYS 37 -2.653 0.622 -7.779 229 1HZ LYS 37 HZ1 LYS 37 -4.422 0.989 -10.117 230 2HZ LYS 37 HZ2 LYS 37 -5.047 0.830 -8.545 231 3HZ LYS 37 HZ3 LYS 37 -4.129 -0.425 -9.228 232 H PHE 38 H PHE 38 -2.023 -0.162 -3.503 233 HA PHE 38 HA PHE 38 -0.226 0.518 -1.452 234 1HB PHE 38 HB2 PHE 38 -0.315 -1.848 -3.327 235 2HB PHE 38 HB1 PHE 38 0.902 -1.718 -2.058 236 HD1 PHE 38 HD1 PHE 38 -0.589 -0.428 0.124 237 HD2 PHE 38 HD2 PHE 38 -1.806 -3.522 -2.596 238 HE1 PHE 38 HE1 PHE 38 -2.227 -1.252 1.793 239 HE2 PHE 38 HE2 PHE 38 -3.444 -4.345 -0.928 240 HZ PHE 38 HZ PHE 38 -3.653 -3.211 1.268 241 H SER 39 H SER 39 1.649 1.668 -1.538 242 HA SER 39 HA SER 39 2.889 2.489 -3.971 243 1HB SER 39 HB2 SER 39 4.121 2.279 -1.204 244 2HB SER 39 HB1 SER 39 4.768 3.216 -2.548 245 HG SER 39 HG SER 39 2.403 4.074 -2.446 246 H ARG 40 H ARG 40 5.603 1.907 -3.737 247 HA ARG 40 HA ARG 40 5.575 -1.018 -4.317 248 1HB ARG 40 HB2 ARG 40 7.683 -0.582 -5.546 249 2HB ARG 40 HB1 ARG 40 6.363 0.419 -6.152 250 1HG ARG 40 HG2 ARG 40 7.175 2.355 -5.040 251 2HG ARG 40 HG1 ARG 40 8.258 1.409 -4.019 252 1HD ARG 40 HD2 ARG 40 8.683 1.087 -6.928 253 2HD ARG 40 HD1 ARG 40 9.052 2.690 -6.293 254 HE ARG 40 HE ARG 40 10.215 0.658 -4.615 255 1HH1 ARG 40 1HH1 ARG 40 10.461 1.345 -7.924 256 2HH1 ARG 40 2HH1 ARG 40 12.183 1.539 -7.921 257 1HH2 ARG 40 1HH2 ARG 40 12.469 1.296 -4.475 258 2HH2 ARG 40 2HH2 ARG 40 13.318 1.510 -5.969 259 H ALA 41 H ALA 41 7.111 -2.384 -3.321 260 HA ALA 41 HA ALA 41 7.811 -1.894 -0.647 261 1HB ALA 41 HB1 ALA 41 8.514 -4.030 -0.804 262 2HB ALA 41 HB2 ALA 41 9.838 -3.544 -1.861 263 3HB ALA 41 HB3 ALA 41 8.266 -3.953 -2.548 264 H GLY 42 H GLY 42 10.174 -1.752 0.168 265 1HA GLY 42 HA2 GLY 42 12.203 -0.555 0.252 266 2HA GLY 42 HA1 GLY 42 12.098 -0.377 -1.499 267 H LYS 43 H LYS 43 9.397 0.577 0.485 268 HA LYS 43 HA LYS 43 9.862 3.401 -0.362 269 1HB LYS 43 HB2 LYS 43 7.644 2.124 -0.685 270 2HB LYS 43 HB1 LYS 43 7.434 2.332 1.045 271 1HG LYS 43 HG2 LYS 43 7.826 4.574 -0.944 272 2HG LYS 43 HG1 LYS 43 6.301 4.124 -0.183 273 1HD LYS 43 HD2 LYS 43 7.654 4.444 2.051 274 2HD LYS 43 HD1 LYS 43 8.707 5.435 1.039 275 1HE LYS 43 HE2 LYS 43 6.611 6.655 0.265 276 2HE LYS 43 HE1 LYS 43 5.750 5.814 1.553 277 1HZ LYS 43 HZ1 LYS 43 7.779 6.722 2.941 278 2HZ LYS 43 HZ2 LYS 43 6.387 7.659 2.676 279 3HZ LYS 43 HZ3 LYS 43 7.777 7.910 1.731 280 H ILE 44 H ILE 44 11.138 4.454 1.100 281 HA ILE 44 HA ILE 44 11.522 3.876 3.814 282 HB ILE 44 HB ILE 44 12.897 5.487 2.549 283 1HG1 ILE 44 2HG1 ILE 44 13.023 7.243 4.330 284 2HG1 ILE 44 1HG1 ILE 44 11.519 6.618 5.005 285 1HG2 ILE 44 1HG2 ILE 44 11.000 7.712 2.939 286 2HG2 ILE 44 2HG2 ILE 44 10.495 6.532 1.730 287 3HG2 ILE 44 3HG2 ILE 44 12.047 7.354 1.566 288 1HD1 ILE 44 1HD1 ILE 44 14.173 5.670 5.458 289 2HD1 ILE 44 2HD1 ILE 44 13.291 4.411 4.594 290 3HD1 ILE 44 3HD1 ILE 44 12.666 5.037 6.119 291 H CYS 45 H CYS 45 9.538 3.373 4.851 292 HA CYS 45 HA CYS 45 7.430 5.442 5.001 293 1HB CYS 45 HB2 CYS 45 6.113 3.803 6.060 294 2HB CYS 45 HB1 CYS 45 7.002 2.918 4.860 295 H ARG 46 H ARG 46 10.288 4.631 6.641 296 HA ARG 46 HA ARG 46 9.721 6.603 8.733 297 1HB ARG 46 HB2 ARG 46 8.998 4.041 9.350 298 2HB ARG 46 HB1 ARG 46 10.675 4.056 9.894 299 1HG ARG 46 HG2 ARG 46 9.707 4.909 11.795 300 2HG ARG 46 HG1 ARG 46 9.895 6.421 10.904 301 1HD ARG 46 HD2 ARG 46 7.499 5.426 9.936 302 2HD ARG 46 HD1 ARG 46 7.448 4.992 11.645 303 HE ARG 46 HE ARG 46 8.250 7.622 11.710 304 1HH1 ARG 46 1HH2 ARG 46 6.307 6.693 9.181 305 2HH1 ARG 46 2HH2 ARG 46 4.940 7.664 9.621 306 1HH2 ARG 46 1HH1 ARG 46 6.228 8.541 12.718 307 2HH2 ARG 46 2HH1 ARG 46 4.895 8.710 11.624 308 H ILE 47 H ILE 47 11.529 7.748 8.879 309 HA ILE 47 HA ILE 47 14.090 6.480 8.083 310 HB ILE 47 HB ILE 47 13.227 8.677 7.080 311 1HG1 ILE 47 2HG1 ILE 47 15.654 7.755 7.175 312 2HG1 ILE 47 1HG1 ILE 47 15.425 9.451 6.773 313 1HG2 ILE 47 1HG2 ILE 47 13.733 10.699 8.456 314 2HG2 ILE 47 2HG2 ILE 47 14.045 9.643 9.835 315 3HG2 ILE 47 3HG2 ILE 47 12.430 9.721 9.131 316 1HD1 ILE 47 1HD1 ILE 47 16.515 10.131 8.626 317 2HD1 ILE 47 2HD1 ILE 47 17.023 8.456 8.832 318 3HD1 ILE 47 3HD1 ILE 47 15.581 9.047 9.654 319 HA PRO 48 HA PRO 48 15.214 6.362 12.359 320 1HB PRO 48 HB2 PRO 48 17.860 5.721 11.978 321 2HB PRO 48 HB1 PRO 48 16.534 4.557 11.809 322 1HG PRO 48 HG2 PRO 48 18.162 5.861 9.684 323 2HG PRO 48 HG1 PRO 48 17.297 4.316 9.646 324 1HD PRO 48 HD2 PRO 48 16.421 6.749 8.488 325 2HD PRO 48 HD1 PRO 48 15.445 5.287 8.708 326 H ARG 49 H ARG 49 16.159 7.774 13.853 327 HA ARG 49 HA ARG 49 17.589 10.123 12.690 328 1HB ARG 49 HB2 ARG 49 16.611 11.498 14.319 329 2HB ARG 49 HB1 ARG 49 15.308 10.372 13.941 330 1HG ARG 49 HG2 ARG 49 17.247 10.011 16.247 331 2HG ARG 49 HG1 ARG 49 15.646 10.729 16.405 332 1HD ARG 49 HD2 ARG 49 14.788 8.557 15.276 333 2HD ARG 49 HD1 ARG 49 16.366 7.890 15.694 334 HE ARG 49 HE ARG 49 15.416 7.585 17.822 335 1HH1 ARG 49 1HH2 ARG 49 13.582 9.957 16.248 336 2HH1 ARG 49 2HH2 ARG 49 13.051 10.739 17.698 337 1HH2 ARG 49 1HH1 ARG 49 15.074 8.844 19.780 338 2HH2 ARG 49 2HH1 ARG 49 13.896 10.111 19.697 339 H GLY 50 H GLY 50 19.675 10.436 13.316 340 1HA GLY 50 HA2 GLY 50 21.512 10.434 14.867 341 2HA GLY 50 HA1 GLY 50 20.612 9.313 15.890 342 H ASP 51 H ASP 51 20.306 7.069 14.935 343 HA ASP 51 HA ASP 51 22.030 6.194 12.785 344 1HB ASP 51 HB2 ASP 51 23.306 6.550 15.268 345 2HB ASP 51 HB1 ASP 51 23.045 4.812 15.120 346 H MET 52 H MET 52 19.689 5.452 12.528 347 HA MET 52 HA MET 52 19.398 2.764 13.804 348 1HB MET 52 HB2 MET 52 17.535 5.050 13.828 349 2HB MET 52 HB1 MET 52 16.800 3.530 13.321 350 1HG MET 52 HG2 MET 52 17.743 2.432 15.349 351 2HG MET 52 HG1 MET 52 18.370 3.996 15.871 352 1HE MET 52 HE1 MET 52 15.304 2.288 17.683 353 2HE MET 52 HE2 MET 52 16.432 1.594 16.520 354 3HE MET 52 HE3 MET 52 14.749 1.845 16.062 355 HA PRO 53 HA PRO 53 18.585 1.285 9.756 356 1HB PRO 53 HB2 PRO 53 16.545 -0.511 10.173 357 2HB PRO 53 HB1 PRO 53 18.225 -0.806 10.648 358 1HG PRO 53 HG2 PRO 53 15.885 -0.104 12.361 359 2HG PRO 53 HG1 PRO 53 17.347 -1.012 12.778 360 1HD PRO 53 HD2 PRO 53 16.848 1.687 13.434 361 2HD PRO 53 HD1 PRO 53 18.428 0.878 13.508 362 H ASP 54 H ASP 54 17.181 1.512 7.924 363 HA ASP 54 HA ASP 54 15.102 3.559 8.235 364 1HB ASP 54 HB2 ASP 54 16.009 2.032 5.773 365 2HB ASP 54 HB1 ASP 54 14.977 3.462 5.780 366 H ASP 55 H ASP 55 12.931 3.190 7.155 367 HA ASP 55 HA ASP 55 12.032 0.360 7.522 368 1HB ASP 55 HB2 ASP 55 10.552 2.914 8.229 369 2HB ASP 55 HB1 ASP 55 9.857 1.297 8.313 370 H ARG 56 H ARG 56 11.970 -0.191 5.327 371 HA ARG 56 HA ARG 56 10.660 1.652 3.427 372 1HB ARG 56 HB2 ARG 56 11.654 -1.098 2.749 373 2HB ARG 56 HB1 ARG 56 11.558 0.332 1.724 374 1HG ARG 56 HG2 ARG 56 13.200 1.059 3.896 375 2HG ARG 56 HG1 ARG 56 13.740 -0.545 3.398 376 1HD ARG 56 HD2 ARG 56 14.407 0.171 1.316 377 2HD ARG 56 HD1 ARG 56 13.175 1.430 1.239 378 HE ARG 56 HE ARG 56 15.260 1.921 3.238 379 1HH1 ARG 56 1HH2 ARG 56 14.363 2.130 -0.086 380 2HH1 ARG 56 2HH2 ARG 56 15.271 3.576 -0.375 381 1HH2 ARG 56 1HH1 ARG 56 16.370 3.863 2.901 382 2HH2 ARG 56 2HH1 ARG 56 16.405 4.558 1.314 383 H CYS 57 H CYS 57 8.674 1.255 2.442 384 HA CYS 57 HA CYS 57 6.805 -0.434 3.818 385 1HB CYS 57 HB2 CYS 57 6.633 0.778 1.047 386 2HB CYS 57 HB1 CYS 57 5.297 0.003 1.889 387 H THR 58 H THR 58 5.799 -2.357 3.013 388 HA THR 58 HA THR 58 7.678 -4.166 1.698 389 HB THR 58 HB THR 58 6.480 -5.263 3.378 390 HG1 THR 58 HG1 THR 58 5.390 -6.782 2.288 391 1HG2 THR 58 1HG2 THR 58 4.759 -3.981 4.147 392 2HG2 THR 58 2HG2 THR 58 3.786 -5.010 3.095 393 3HG2 THR 58 3HG2 THR 58 4.320 -3.427 2.533 394 H GLY 59 H GLY 59 5.474 -1.935 0.562 395 1HA GLY 59 HA2 GLY 59 4.944 -1.539 -1.724 396 2HA GLY 59 HA1 GLY 59 5.552 -3.147 -2.118 397 H GLN 60 H GLN 60 3.729 -3.909 0.374 398 HA GLN 60 HA GLN 60 1.205 -4.060 -1.229 399 1HB GLN 60 HB2 GLN 60 2.259 -6.101 0.753 400 2HB GLN 60 HB1 GLN 60 0.790 -6.245 -0.213 401 1HG GLN 60 HG2 GLN 60 3.368 -5.723 -1.638 402 2HG GLN 60 HG1 GLN 60 3.069 -7.349 -1.024 403 1HE2 GLN 60 1HE2 GLN 60 2.286 -5.126 -3.561 404 2HE2 GLN 60 2HE2 GLN 60 1.100 -6.076 -4.317 405 H SER 61 H SER 61 2.699 -3.066 1.681 406 HA SER 61 HA SER 61 0.177 -3.098 3.227 407 1HB SER 61 HB2 SER 61 1.943 -3.531 4.672 408 2HB SER 61 HB1 SER 61 3.045 -2.463 3.810 409 HG SER 61 HG SER 61 0.978 -1.833 5.623 410 H ALA 62 H ALA 62 -0.537 -0.999 4.269 411 HA ALA 62 HA ALA 62 -0.279 1.218 2.284 412 1HB ALA 62 HB1 ALA 62 -2.542 1.110 2.424 413 2HB ALA 62 HB2 ALA 62 -2.339 1.929 3.973 414 3HB ALA 62 HB3 ALA 62 -2.490 0.173 3.918 415 H ASP 63 H ASP 63 -0.349 0.579 5.796 416 HA ASP 63 HA ASP 63 0.666 3.308 6.308 417 1HB ASP 63 HB2 ASP 63 0.159 1.054 8.277 418 2HB ASP 63 HB1 ASP 63 0.382 2.761 8.659 419 H CYS 64 H CYS 64 2.586 3.402 7.919 420 HA CYS 64 HA CYS 64 4.805 2.001 6.674 421 1HB CYS 64 HB2 CYS 64 5.226 4.240 7.445 422 2HB CYS 64 HB1 CYS 64 4.598 3.883 9.030 423 HA PRO 65 HA PRO 65 4.362 -1.445 9.432 424 1HB PRO 65 HB2 PRO 65 6.048 -3.035 7.975 425 2HB PRO 65 HB1 PRO 65 4.352 -2.796 7.564 426 1HG PRO 65 HG2 PRO 65 6.787 -1.725 6.240 427 2HG PRO 65 HG1 PRO 65 5.167 -1.986 5.571 428 1HD PRO 65 HD2 PRO 65 6.264 0.496 6.401 429 2HD PRO 65 HD1 PRO 65 4.570 0.177 5.979 430 H ARG 66 H ARG 66 7.570 -2.103 8.225 431 HA ARG 66 HA ARG 66 8.974 -0.647 10.322 432 1HB ARG 66 HB2 ARG 66 8.077 -2.491 11.663 433 2HB ARG 66 HB1 ARG 66 8.717 -3.665 10.513 434 1HG ARG 66 HG2 ARG 66 10.441 -3.670 12.050 435 2HG ARG 66 HG1 ARG 66 10.989 -2.359 11.007 436 1HD ARG 66 HD2 ARG 66 10.788 -0.859 12.675 437 2HD ARG 66 HD1 ARG 66 9.127 -1.363 12.990 438 HE ARG 66 HE ARG 66 11.183 -3.175 14.049 439 1HH1 ARG 66 1HH2 ARG 66 9.577 -0.193 14.574 440 2HH1 ARG 66 2HH2 ARG 66 9.369 -0.441 16.275 441 1HH2 ARG 66 1HH1 ARG 66 10.720 -3.635 16.242 442 2HH2 ARG 66 2HH1 ARG 66 10.016 -2.391 17.221 443 H TYR 67 H TYR 67 9.838 -3.832 9.045 444 HA TYR 67 HA TYR 67 11.654 -2.555 7.073 445 1HB TYR 67 HB2 TYR 67 12.655 -3.262 9.501 446 2HB TYR 67 HB1 TYR 67 12.849 -4.781 8.625 447 HD1 TYR 67 HD2 TYR 67 13.515 -4.151 5.952 448 HD2 TYR 67 HD1 TYR 67 14.622 -2.018 9.513 449 HE1 TYR 67 HE2 TYR 67 15.492 -3.220 4.780 450 HE2 TYR 67 HE1 TYR 67 16.601 -1.088 8.340 451 HH TYR 67 HH TYR 67 17.704 -2.294 5.363 452 H HIS 68 H HIS 68 10.231 -5.532 8.390 453 HA HIS 68 HA HIS 68 9.500 -7.469 7.284 454 1HB HIS 68 HB2 HIS 68 8.453 -5.722 5.770 455 2HB HIS 68 HB1 HIS 68 9.873 -5.878 4.735 456 HD1 HIS 68 HD1 HIS 68 10.235 -8.181 3.534 457 HD2 HIS 68 HD2 HIS 68 6.640 -7.890 5.626 458 HE1 HIS 68 HE1 HIS 68 8.803 -10.127 2.772 Start of MODEL 15 1 1H GLY 1 HT1 GLY 1 -6.960 -4.203 8.217 2 2H GLY 1 HT2 GLY 1 -6.856 -5.784 8.829 3 3H GLY 1 HT3 GLY 1 -6.610 -4.454 9.857 4 1HA GLY 1 HA1 GLY 1 -8.761 -5.153 10.359 5 2HA GLY 1 HA2 GLY 1 -8.969 -3.768 9.286 6 H LYS 2 H LYS 2 -10.243 -6.685 9.818 7 HA LYS 2 HA LYS 2 -10.302 -7.713 7.069 8 1HB LYS 2 HB2 LYS 2 -11.401 -8.556 9.717 9 2HB LYS 2 HB1 LYS 2 -12.208 -9.150 8.265 10 1HG LYS 2 HG2 LYS 2 -10.577 -10.665 7.956 11 2HG LYS 2 HG1 LYS 2 -9.377 -9.373 7.883 12 1HD LYS 2 HD2 LYS 2 -10.451 -10.396 10.514 13 2HD LYS 2 HD1 LYS 2 -9.061 -11.140 9.726 14 1HE LYS 2 HE2 LYS 2 -8.112 -8.729 9.591 15 2HE LYS 2 HE1 LYS 2 -9.328 -8.340 10.809 16 1HZ LYS 2 HZ1 LYS 2 -7.512 -10.640 11.156 17 2HZ LYS 2 HZ2 LYS 2 -8.380 -9.780 12.336 18 3HZ LYS 2 HZ3 LYS 2 -7.026 -9.075 11.594 19 H GLU 3 H GLU 3 -12.688 -6.307 9.338 20 HA GLU 3 HA GLU 3 -14.583 -5.950 7.091 21 1HB GLU 3 HB2 GLU 3 -14.815 -6.310 9.925 22 2HB GLU 3 HB1 GLU 3 -15.556 -4.768 9.495 23 1HG GLU 3 HG2 GLU 3 -17.318 -6.292 9.189 24 2HG GLU 3 HG1 GLU 3 -16.669 -6.109 7.559 25 H CYS 4 H CYS 4 -12.068 -4.228 8.508 26 HA CYS 4 HA CYS 4 -13.226 -1.672 7.480 27 1HB CYS 4 HB2 CYS 4 -11.823 -2.244 10.065 28 2HB CYS 4 HB1 CYS 4 -11.586 -0.672 9.303 29 H ASP 5 H ASP 5 -11.914 -0.607 6.049 30 HA ASP 5 HA ASP 5 -9.142 -1.679 5.720 31 1HB ASP 5 HB2 ASP 5 -11.171 -1.581 3.842 32 2HB ASP 5 HB1 ASP 5 -10.231 -0.134 3.475 33 H CYS 6 H CYS 6 -10.969 1.022 6.643 34 HA CYS 6 HA CYS 6 -8.516 2.704 6.534 35 1HB CYS 6 HB2 CYS 6 -9.801 4.650 5.814 36 2HB CYS 6 HB1 CYS 6 -10.004 3.354 4.637 37 H SER 7 H SER 7 -8.405 4.245 8.266 38 HA SER 7 HA SER 7 -10.049 3.465 10.589 39 1HB SER 7 HB2 SER 7 -7.427 4.058 10.415 40 2HB SER 7 HB1 SER 7 -8.049 5.662 10.796 41 HG SER 7 HG SER 7 -8.006 3.333 12.313 42 H SER 8 H SER 8 -10.963 5.243 8.193 43 HA SER 8 HA SER 8 -12.362 7.186 9.926 44 1HB SER 8 HB2 SER 8 -10.578 7.952 7.612 45 2HB SER 8 HB1 SER 8 -11.846 9.016 8.215 46 HG SER 8 HG SER 8 -10.523 9.538 9.748 47 HA PRO 9 HA PRO 9 -15.527 5.945 7.080 48 1HB PRO 9 HB2 PRO 9 -17.496 7.566 8.106 49 2HB PRO 9 HB1 PRO 9 -16.983 6.050 8.866 50 1HG PRO 9 HG2 PRO 9 -16.407 8.852 9.701 51 2HG PRO 9 HG1 PRO 9 -16.469 7.378 10.682 52 1HD PRO 9 HD2 PRO 9 -14.118 8.672 9.767 53 2HD PRO 9 HD1 PRO 9 -14.212 7.047 10.477 54 H GLU 10 H GLU 10 -14.869 9.379 7.746 55 HA GLU 10 HA GLU 10 -16.277 10.478 5.523 56 1HB GLU 10 HB2 GLU 10 -15.332 11.814 7.417 57 2HB GLU 10 HB1 GLU 10 -13.717 11.519 6.775 58 1HG GLU 10 HG2 GLU 10 -14.901 12.433 4.535 59 2HG GLU 10 HG1 GLU 10 -15.872 13.286 5.735 60 H ASN 11 H ASN 11 -13.187 8.859 5.778 61 HA ASN 11 HA ASN 11 -11.875 9.704 3.455 62 1HB ASN 11 HB2 ASN 11 -10.871 8.114 5.022 63 2HB ASN 11 HB1 ASN 11 -12.069 6.897 4.587 64 1HD2 ASN 11 1HD2 ASN 11 -9.767 5.813 4.086 65 2HD2 ASN 11 2HD2 ASN 11 -9.238 5.976 2.483 66 HA PRO 12 HA PRO 12 -14.962 8.405 0.484 67 1HB PRO 12 HB2 PRO 12 -13.705 9.545 -1.679 68 2HB PRO 12 HB1 PRO 12 -14.704 10.457 -0.536 69 1HG PRO 12 HG2 PRO 12 -11.733 10.397 -0.801 70 2HG PRO 12 HG1 PRO 12 -12.777 11.683 -0.175 71 1HD PRO 12 HD2 PRO 12 -11.261 9.880 1.389 72 2HD PRO 12 HD1 PRO 12 -12.565 10.932 1.981 73 H CYS 13 H CYS 13 -11.583 7.655 0.572 74 HA CYS 13 HA CYS 13 -11.608 5.898 -1.759 75 1HB CYS 13 HB2 CYS 13 -9.644 6.855 0.187 76 2HB CYS 13 HB1 CYS 13 -9.436 5.146 -0.199 77 H CYS 14 H CYS 14 -12.957 5.631 1.276 78 HA CYS 14 HA CYS 14 -13.044 2.678 0.994 79 1HB CYS 14 HB2 CYS 14 -12.544 2.283 3.309 80 2HB CYS 14 HB1 CYS 14 -11.268 3.329 2.685 81 H ASP 15 H ASP 15 -15.110 2.014 1.079 82 HA ASP 15 HA ASP 15 -17.317 3.729 1.435 83 1HB ASP 15 HB2 ASP 15 -17.118 1.232 0.552 84 2HB ASP 15 HB1 ASP 15 -17.568 0.849 2.213 85 H ALA 16 H ALA 16 -18.025 4.732 3.249 86 HA ALA 16 HA ALA 16 -16.981 4.077 5.866 87 1HB ALA 16 HB1 ALA 16 -17.648 6.215 6.143 88 2HB ALA 16 HB2 ALA 16 -19.307 5.621 6.213 89 3HB ALA 16 HB3 ALA 16 -18.625 6.153 4.675 90 H ALA 17 H ALA 17 -20.112 3.550 4.243 91 HA ALA 17 HA ALA 17 -21.539 2.422 6.396 92 1HB ALA 17 HB1 ALA 17 -21.621 1.537 3.493 93 2HB ALA 17 HB2 ALA 17 -22.527 2.894 4.163 94 3HB ALA 17 HB3 ALA 17 -22.875 1.250 4.701 95 H THR 18 H THR 18 -19.255 0.876 4.146 96 HA THR 18 HA THR 18 -19.434 -1.636 5.721 97 HB THR 18 HB THR 18 -18.349 -2.705 3.909 98 HG1 THR 18 HG1 THR 18 -17.440 -1.250 2.216 99 1HG2 THR 18 1HG2 THR 18 -20.041 -2.446 2.446 100 2HG2 THR 18 2HG2 THR 18 -19.543 -0.797 2.069 101 3HG2 THR 18 3HG2 THR 18 -20.597 -1.106 3.449 102 H CYS 19 H CYS 19 -17.577 1.202 5.530 103 HA CYS 19 HA CYS 19 -15.620 1.845 6.650 104 1HB CYS 19 HB2 CYS 19 -16.656 0.630 8.557 105 2HB CYS 19 HB1 CYS 19 -15.900 -0.859 7.995 106 H LYS 20 H LYS 20 -15.751 -0.235 4.262 107 HA LYS 20 HA LYS 20 -12.862 -1.003 4.452 108 1HB LYS 20 HB2 LYS 20 -15.093 -2.309 2.865 109 2HB LYS 20 HB1 LYS 20 -13.399 -2.799 2.826 110 1HG LYS 20 HG2 LYS 20 -13.438 -3.512 5.088 111 2HG LYS 20 HG1 LYS 20 -14.948 -2.659 5.412 112 1HD LYS 20 HD2 LYS 20 -15.349 -5.079 5.183 113 2HD LYS 20 HD1 LYS 20 -16.140 -4.188 3.882 114 1HE LYS 20 HE2 LYS 20 -15.041 -5.506 2.421 115 2HE LYS 20 HE1 LYS 20 -13.548 -4.719 2.935 116 1HZ LYS 20 HZ1 LYS 20 -14.768 -7.118 4.193 117 2HZ LYS 20 HZ2 LYS 20 -13.337 -6.356 4.700 118 3HZ LYS 20 HZ3 LYS 20 -13.406 -7.114 3.182 119 H LEU 21 H LEU 21 -12.210 -1.459 1.881 120 HA LEU 21 HA LEU 21 -12.052 1.186 0.757 121 1HB LEU 21 HB2 LEU 21 -10.944 -1.431 0.207 122 2HB LEU 21 HB1 LEU 21 -11.459 -0.647 -1.288 123 HG LEU 21 HG LEU 21 -10.183 1.301 0.395 124 1HD1 LEU 21 1HD1 LEU 21 -8.529 0.132 1.368 125 2HD1 LEU 21 2HD1 LEU 21 -7.929 -0.265 -0.242 126 3HD1 LEU 21 3HD1 LEU 21 -9.054 -1.351 0.573 127 1HD2 LEU 21 1HD2 LEU 21 -9.952 0.146 -2.331 128 2HD2 LEU 21 2HD2 LEU 21 -8.509 0.950 -1.703 129 3HD2 LEU 21 3HD2 LEU 21 -10.030 1.835 -1.826 130 H ARG 22 H ARG 22 -12.949 1.847 -1.351 131 HA ARG 22 HA ARG 22 -15.426 0.355 -2.068 132 1HB ARG 22 HB2 ARG 22 -16.397 2.108 -0.923 133 2HB ARG 22 HB1 ARG 22 -15.134 3.248 -1.354 134 1HG ARG 22 HG2 ARG 22 -16.089 3.729 -3.411 135 2HG ARG 22 HG1 ARG 22 -16.804 2.125 -3.565 136 1HD ARG 22 HD2 ARG 22 -18.600 2.654 -2.134 137 2HD ARG 22 HD1 ARG 22 -17.760 4.045 -1.448 138 HE ARG 22 HE ARG 22 -18.766 4.012 -4.268 139 1HH1 ARG 22 1HH2 ARG 22 -20.118 5.132 -1.612 140 2HH1 ARG 22 2HH2 ARG 22 -19.903 6.827 -1.903 141 1HH2 ARG 22 1HH1 ARG 22 -17.638 6.365 -4.488 142 2HH2 ARG 22 2HH1 ARG 22 -18.497 7.525 -3.529 143 HA PRO 23 HA PRO 23 -14.195 2.549 -6.083 144 1HB PRO 23 HB2 PRO 23 -12.189 4.427 -6.050 145 2HB PRO 23 HB1 PRO 23 -13.904 4.816 -5.822 146 1HG PRO 23 HG2 PRO 23 -11.724 4.653 -3.781 147 2HG PRO 23 HG1 PRO 23 -13.178 5.667 -3.794 148 1HD PRO 23 HD2 PRO 23 -12.873 3.335 -2.285 149 2HD PRO 23 HD1 PRO 23 -14.423 4.089 -2.701 150 H GLY 24 H GLY 24 -12.260 2.413 -7.649 151 1HA GLY 24 HA2 GLY 24 -10.768 0.051 -7.160 152 2HA GLY 24 HA1 GLY 24 -10.398 1.221 -8.426 153 H ALA 25 H ALA 25 -9.797 0.369 -5.056 154 HA ALA 25 HA ALA 25 -7.193 1.769 -5.239 155 1HB ALA 25 HB1 ALA 25 -8.097 3.521 -4.078 156 2HB ALA 25 HB2 ALA 25 -7.888 2.448 -2.694 157 3HB ALA 25 HB3 ALA 25 -9.456 2.560 -3.495 158 H GLN 26 H GLN 26 -5.610 0.820 -3.874 159 HA GLN 26 HA GLN 26 -6.307 -1.882 -2.928 160 1HB GLN 26 HB2 GLN 26 -3.861 -0.448 -3.679 161 2HB GLN 26 HB1 GLN 26 -3.662 -1.432 -2.227 162 1HG GLN 26 HG2 GLN 26 -3.203 -2.986 -3.907 163 2HG GLN 26 HG1 GLN 26 -4.925 -3.256 -3.636 164 1HE2 GLN 26 1HE2 GLN 26 -6.427 -2.536 -5.287 165 2HE2 GLN 26 2HE2 GLN 26 -5.901 -2.023 -6.815 166 H CYS 27 H CYS 27 -5.616 1.283 -1.623 167 HA CYS 27 HA CYS 27 -6.403 0.299 1.036 168 1HB CYS 27 HB2 CYS 27 -4.374 0.409 2.015 169 2HB CYS 27 HB1 CYS 27 -3.687 0.553 0.405 170 H GLY 28 H GLY 28 -7.327 1.940 2.320 171 1HA GLY 28 HA2 GLY 28 -8.043 4.381 0.820 172 2HA GLY 28 HA1 GLY 28 -8.778 3.847 2.331 173 H GLU 29 H GLU 29 -5.723 3.374 3.066 174 HA GLU 29 HA GLU 29 -4.676 6.060 3.321 175 1HB GLU 29 HB2 GLU 29 -4.972 6.317 5.724 176 2HB GLU 29 HB1 GLU 29 -6.548 6.119 4.969 177 1HG GLU 29 HG2 GLU 29 -6.951 4.259 6.165 178 2HG GLU 29 HG1 GLU 29 -5.435 3.536 5.623 179 H GLY 30 H GLY 30 -2.535 6.029 4.188 180 1HA GLY 30 HA2 GLY 30 -1.230 4.139 5.697 181 2HA GLY 30 HA1 GLY 30 -1.238 3.406 4.097 182 H LEU 31 H LEU 31 0.976 4.588 5.789 183 HA LEU 31 HA LEU 31 1.887 7.004 4.627 184 1HB LEU 31 HB2 LEU 31 4.243 5.914 5.147 185 2HB LEU 31 HB1 LEU 31 3.214 6.533 6.428 186 HG LEU 31 HG LEU 31 2.276 4.084 6.489 187 1HD1 LEU 31 1HD1 LEU 31 3.971 2.408 5.851 188 2HD1 LEU 31 2HD1 LEU 31 4.995 3.685 5.207 189 3HD1 LEU 31 3HD1 LEU 31 3.454 3.321 4.448 190 1HD2 LEU 31 1HD2 LEU 31 3.723 3.690 8.280 191 2HD2 LEU 31 2HD2 LEU 31 3.835 5.434 8.094 192 3HD2 LEU 31 3HD2 LEU 31 5.101 4.398 7.443 193 H CYS 32 H CYS 32 1.983 3.719 3.470 194 HA CYS 32 HA CYS 32 3.509 4.672 1.084 195 1HB CYS 32 HB2 CYS 32 3.209 1.885 2.233 196 2HB CYS 32 HB1 CYS 32 4.051 2.259 0.728 197 H CYS 33 H CYS 33 1.074 5.471 0.760 198 HA CYS 33 HA CYS 33 -0.187 3.427 -1.007 199 1HB CYS 33 HB2 CYS 33 -1.427 4.995 1.221 200 2HB CYS 33 HB1 CYS 33 -2.400 4.681 -0.215 201 H GLU 34 H GLU 34 0.201 4.312 -2.993 202 HA GLU 34 HA GLU 34 0.060 7.241 -3.355 203 1HB GLU 34 HB2 GLU 34 0.782 4.972 -5.233 204 2HB GLU 34 HB1 GLU 34 0.754 6.669 -5.710 205 1HG GLU 34 HG2 GLU 34 2.277 6.051 -3.241 206 2HG GLU 34 HG1 GLU 34 2.969 5.439 -4.743 207 H GLN 35 H GLN 35 -1.982 8.024 -3.592 208 HA GLN 35 HA GLN 35 -4.152 8.265 -4.439 209 1HB GLN 35 HB2 GLN 35 -2.601 7.359 -6.572 210 2HB GLN 35 HB1 GLN 35 -3.973 6.251 -6.546 211 1HG GLN 35 HG2 GLN 35 -5.540 7.986 -6.830 212 2HG GLN 35 HG1 GLN 35 -4.392 9.226 -6.321 213 1HE2 GLN 35 1HE2 GLN 35 -2.207 8.949 -7.874 214 2HE2 GLN 35 2HE2 GLN 35 -2.587 8.989 -9.529 215 H CYS 36 H CYS 36 -3.731 6.455 -2.331 216 HA CYS 36 HA CYS 36 -4.884 4.768 -1.187 217 1HB CYS 36 HB2 CYS 36 -6.767 4.938 -3.561 218 2HB CYS 36 HB1 CYS 36 -7.107 4.121 -2.035 219 H LYS 37 H LYS 37 -2.780 4.208 -3.194 220 HA LYS 37 HA LYS 37 -3.543 1.381 -3.802 221 1HB LYS 37 HB2 LYS 37 -1.669 3.139 -5.414 222 2HB LYS 37 HB1 LYS 37 -2.147 1.486 -5.803 223 1HG LYS 37 HG2 LYS 37 -4.469 2.177 -6.087 224 2HG LYS 37 HG1 LYS 37 -4.073 3.819 -5.575 225 1HD LYS 37 HD2 LYS 37 -3.134 4.361 -7.586 226 2HD LYS 37 HD1 LYS 37 -2.443 2.754 -7.809 227 1HE LYS 37 HE2 LYS 37 -4.950 2.024 -8.108 228 2HE LYS 37 HE1 LYS 37 -5.206 3.731 -8.465 229 1HZ LYS 37 HZ1 LYS 37 -4.073 3.595 -10.387 230 2HZ LYS 37 HZ2 LYS 37 -4.476 1.949 -10.292 231 3HZ LYS 37 HZ3 LYS 37 -2.944 2.482 -9.788 232 H PHE 38 H PHE 38 -2.139 -0.132 -2.974 233 HA PHE 38 HA PHE 38 -0.232 0.465 -1.019 234 1HB PHE 38 HB2 PHE 38 -0.391 -1.877 -2.932 235 2HB PHE 38 HB1 PHE 38 0.773 -1.803 -1.609 236 HD1 PHE 38 HD2 PHE 38 -0.778 -0.495 0.527 237 HD2 PHE 38 HD1 PHE 38 -1.960 -3.510 -2.296 238 HE1 PHE 38 HE2 PHE 38 -2.517 -1.295 2.105 239 HE2 PHE 38 HE1 PHE 38 -3.698 -4.306 -0.716 240 HZ PHE 38 HZ PHE 38 -3.975 -3.199 1.485 241 H SER 39 H SER 39 1.704 1.499 -1.142 242 HA SER 39 HA SER 39 2.861 2.344 -3.617 243 1HB SER 39 HB2 SER 39 3.304 2.888 -0.919 244 2HB SER 39 HB1 SER 39 4.792 2.102 -1.434 245 HG SER 39 HG SER 39 3.774 4.558 -2.078 246 H ARG 40 H ARG 40 5.523 1.724 -3.615 247 HA ARG 40 HA ARG 40 5.462 -1.214 -4.125 248 1HB ARG 40 HB2 ARG 40 7.340 0.934 -5.159 249 2HB ARG 40 HB1 ARG 40 7.457 -0.779 -5.552 250 1HG ARG 40 HG2 ARG 40 4.775 0.357 -5.973 251 2HG ARG 40 HG1 ARG 40 6.022 1.057 -7.006 252 1HD ARG 40 HD2 ARG 40 6.296 -1.835 -6.809 253 2HD ARG 40 HD1 ARG 40 4.710 -1.374 -7.426 254 HE ARG 40 HE ARG 40 5.787 -0.349 -9.323 255 1HH1 ARG 40 1HH1 ARG 40 7.530 -2.839 -8.089 256 2HH1 ARG 40 2HH1 ARG 40 9.079 -2.320 -8.661 257 1HH2 ARG 40 1HH2 ARG 40 7.972 0.827 -9.607 258 2HH2 ARG 40 2HH2 ARG 40 9.330 -0.243 -9.519 259 H ALA 41 H ALA 41 7.163 -2.528 -3.294 260 HA ALA 41 HA ALA 41 8.089 -1.983 -0.698 261 1HB ALA 41 HB1 ALA 41 9.044 -4.036 -0.863 262 2HB ALA 41 HB2 ALA 41 9.968 -3.586 -2.298 263 3HB ALA 41 HB3 ALA 41 8.289 -4.105 -2.454 264 H GLY 42 H GLY 42 10.546 -1.755 -0.132 265 1HA GLY 42 HA2 GLY 42 12.521 -0.467 -0.296 266 2HA GLY 42 HA1 GLY 42 12.198 -0.306 -2.017 267 H LYS 43 H LYS 43 9.721 0.517 0.291 268 HA LYS 43 HA LYS 43 10.027 3.366 -0.559 269 1HB LYS 43 HB2 LYS 43 7.856 2.552 -1.100 270 2HB LYS 43 HB1 LYS 43 7.683 1.762 0.463 271 1HG LYS 43 HG2 LYS 43 6.392 3.915 0.254 272 2HG LYS 43 HG1 LYS 43 7.532 3.889 1.599 273 1HD LYS 43 HD2 LYS 43 8.623 5.664 0.756 274 2HD LYS 43 HD1 LYS 43 8.881 4.815 -0.768 275 1HE LYS 43 HE2 LYS 43 6.120 5.730 -0.424 276 2HE LYS 43 HE1 LYS 43 7.287 7.051 -0.438 277 1HZ LYS 43 HZ1 LYS 43 7.023 6.805 -2.654 278 2HZ LYS 43 HZ2 LYS 43 6.583 5.168 -2.547 279 3HZ LYS 43 HZ3 LYS 43 8.217 5.620 -2.443 280 H ILE 44 H ILE 44 11.327 4.379 0.909 281 HA ILE 44 HA ILE 44 11.675 3.720 3.630 282 HB ILE 44 HB ILE 44 13.193 5.250 2.506 283 1HG1 ILE 44 2HG1 ILE 44 13.046 7.228 4.148 284 2HG1 ILE 44 1HG1 ILE 44 11.608 6.436 4.795 285 1HG2 ILE 44 1HG2 ILE 44 11.488 7.610 2.525 286 2HG2 ILE 44 2HG2 ILE 44 10.833 6.349 1.482 287 3HG2 ILE 44 3HG2 ILE 44 12.467 6.952 1.214 288 1HD1 ILE 44 1HD1 ILE 44 13.172 4.319 4.888 289 2HD1 ILE 44 2HD1 ILE 44 13.272 5.539 6.158 290 3HD1 ILE 44 3HD1 ILE 44 14.465 5.518 4.859 291 H CYS 45 H CYS 45 9.882 3.452 4.921 292 HA CYS 45 HA CYS 45 7.730 5.506 4.827 293 1HB CYS 45 HB2 CYS 45 6.652 3.936 6.527 294 2HB CYS 45 HB1 CYS 45 6.801 3.337 4.878 295 H ARG 46 H ARG 46 10.545 4.800 6.598 296 HA ARG 46 HA ARG 46 9.962 6.968 8.465 297 1HB ARG 46 HB2 ARG 46 9.625 4.155 9.252 298 2HB ARG 46 HB1 ARG 46 10.714 5.057 10.307 299 1HG ARG 46 HG2 ARG 46 9.053 6.429 11.079 300 2HG ARG 46 HG1 ARG 46 8.206 6.445 9.532 301 1HD ARG 46 HD2 ARG 46 7.155 4.374 9.948 302 2HD ARG 46 HD1 ARG 46 8.300 3.949 11.220 303 HE ARG 46 HE ARG 46 6.096 5.938 11.503 304 1HH1 ARG 46 1HH2 ARG 46 8.618 6.336 13.194 305 2HH1 ARG 46 2HH2 ARG 46 8.164 5.526 14.655 306 1HH2 ARG 46 1HH1 ARG 46 5.485 3.862 13.215 307 2HH2 ARG 46 2HH1 ARG 46 6.388 4.129 14.669 308 H ILE 47 H ILE 47 11.860 7.962 8.980 309 HA ILE 47 HA ILE 47 14.365 6.435 8.439 310 HB ILE 47 HB ILE 47 13.517 8.694 7.141 311 1HG1 ILE 47 2HG1 ILE 47 15.336 7.225 6.433 312 2HG1 ILE 47 1HG1 ILE 47 15.881 8.903 6.408 313 1HG2 ILE 47 1HG2 ILE 47 13.732 10.140 9.092 314 2HG2 ILE 47 2HG2 ILE 47 14.987 10.547 7.922 315 3HG2 ILE 47 3HG2 ILE 47 15.388 9.593 9.349 316 1HD1 ILE 47 1HD1 ILE 47 17.596 8.260 7.718 317 2HD1 ILE 47 2HD1 ILE 47 16.873 6.674 7.992 318 3HD1 ILE 47 3HD1 ILE 47 16.418 8.039 9.011 319 HA PRO 48 HA PRO 48 14.726 7.173 12.852 320 1HB PRO 48 HB2 PRO 48 16.791 5.394 13.211 321 2HB PRO 48 HB1 PRO 48 15.087 4.915 13.126 322 1HG PRO 48 HG2 PRO 48 17.228 4.607 11.070 323 2HG PRO 48 HG1 PRO 48 15.770 3.636 11.326 324 1HD PRO 48 HD2 PRO 48 16.103 5.613 9.336 325 2HD PRO 48 HD1 PRO 48 14.560 4.893 9.837 326 H ARG 49 H ARG 49 16.321 8.252 14.164 327 HA ARG 49 HA ARG 49 18.129 9.974 12.707 328 1HB ARG 49 HB2 ARG 49 17.747 9.434 15.664 329 2HB ARG 49 HB1 ARG 49 18.889 10.627 15.042 330 1HG ARG 49 HG2 ARG 49 16.176 10.816 13.895 331 2HG ARG 49 HG1 ARG 49 16.268 11.167 15.620 332 1HD ARG 49 HD2 ARG 49 18.339 12.388 13.849 333 2HD ARG 49 HD1 ARG 49 16.709 13.062 13.791 334 HE ARG 49 HE ARG 49 18.514 13.702 15.798 335 1HH1 ARG 49 1HH2 ARG 49 15.695 14.715 15.781 336 2HH1 ARG 49 2HH2 ARG 49 15.073 14.080 17.267 337 1HH2 ARG 49 1HH1 ARG 49 17.613 11.754 17.649 338 2HH2 ARG 49 2HH1 ARG 49 16.159 12.407 18.326 339 H GLY 50 H GLY 50 20.314 9.726 12.358 340 1HA GLY 50 HA2 GLY 50 22.508 8.827 12.946 341 2HA GLY 50 HA1 GLY 50 21.698 7.461 13.715 342 H ASP 51 H ASP 51 19.801 7.260 11.394 343 HA ASP 51 HA ASP 51 19.706 6.281 9.254 344 1HB ASP 51 HB2 ASP 51 21.900 7.876 9.055 345 2HB ASP 51 HB1 ASP 51 22.638 6.289 8.834 346 H MET 52 H MET 52 19.219 4.360 10.638 347 HA MET 52 HA MET 52 21.248 2.272 10.130 348 1HB MET 52 HB2 MET 52 20.284 3.115 12.821 349 2HB MET 52 HB1 MET 52 20.543 1.393 12.542 350 1HG MET 52 HG2 MET 52 22.654 2.101 13.268 351 2HG MET 52 HG1 MET 52 22.822 2.163 11.515 352 1HE MET 52 HE1 MET 52 23.713 3.856 14.567 353 2HE MET 52 HE2 MET 52 21.975 4.079 14.738 354 3HE MET 52 HE3 MET 52 23.022 5.484 14.554 355 HA PRO 53 HA PRO 53 17.260 -0.158 10.526 356 1HB PRO 53 HB2 PRO 53 15.163 0.762 12.044 357 2HB PRO 53 HB1 PRO 53 16.482 -0.225 12.700 358 1HG PRO 53 HG2 PRO 53 16.001 2.709 13.000 359 2HG PRO 53 HG1 PRO 53 16.809 1.584 14.104 360 1HD PRO 53 HD2 PRO 53 18.116 3.388 12.402 361 2HD PRO 53 HD1 PRO 53 18.853 1.975 13.179 362 H ASP 54 H ASP 54 17.445 1.193 8.407 363 HA ASP 54 HA ASP 54 15.637 3.330 7.853 364 1HB ASP 54 HB2 ASP 54 16.448 1.302 5.782 365 2HB ASP 54 HB1 ASP 54 16.224 3.042 5.594 366 H ASP 55 H ASP 55 13.451 3.140 8.104 367 HA ASP 55 HA ASP 55 12.066 0.607 7.926 368 1HB ASP 55 HB2 ASP 55 10.897 3.399 7.738 369 2HB ASP 55 HB1 ASP 55 10.031 1.924 8.158 370 H ARG 56 H ARG 56 10.923 -0.247 6.161 371 HA ARG 56 HA ARG 56 10.796 1.321 3.645 372 1HB ARG 56 HB2 ARG 56 13.017 0.008 3.891 373 2HB ARG 56 HB1 ARG 56 12.026 -1.424 3.624 374 1HG ARG 56 HG2 ARG 56 12.395 -0.995 1.431 375 2HG ARG 56 HG1 ARG 56 11.132 0.219 1.633 376 1HD ARG 56 HD2 ARG 56 13.165 1.172 0.570 377 2HD ARG 56 HD1 ARG 56 12.820 1.930 2.123 378 HE ARG 56 HE ARG 56 14.624 0.478 3.090 379 1HH1 ARG 56 1HH1 ARG 56 15.166 2.220 0.380 380 2HH1 ARG 56 2HH1 ARG 56 16.474 1.267 -0.237 381 1HH2 ARG 56 1HH2 ARG 56 15.983 -1.335 2.002 382 2HH2 ARG 56 2HH2 ARG 56 16.936 -0.747 0.681 383 H CYS 57 H CYS 57 8.637 1.078 3.171 384 HA CYS 57 HA CYS 57 6.989 -1.060 4.054 385 1HB CYS 57 HB2 CYS 57 6.727 0.781 1.666 386 2HB CYS 57 HB1 CYS 57 5.482 -0.375 2.127 387 H THR 58 H THR 58 6.336 -2.978 3.025 388 HA THR 58 HA THR 58 8.332 -4.194 1.282 389 HB THR 58 HB THR 58 7.122 -6.222 1.609 390 HG1 THR 58 HG1 THR 58 4.952 -5.686 2.839 391 1HG2 THR 58 1HG2 THR 58 7.658 -4.458 3.821 392 2HG2 THR 58 2HG2 THR 58 7.796 -6.215 3.754 393 3HG2 THR 58 3HG2 THR 58 6.262 -5.467 4.198 394 H GLY 59 H GLY 59 5.871 -2.111 0.618 395 1HA GLY 59 HA2 GLY 59 5.139 -1.492 -1.572 396 2HA GLY 59 HA1 GLY 59 5.767 -3.025 -2.182 397 H GLN 60 H GLN 60 4.467 -4.773 -0.364 398 HA GLN 60 HA GLN 60 1.770 -4.747 -1.518 399 1HB GLN 60 HB2 GLN 60 3.261 -6.669 0.283 400 2HB GLN 60 HB1 GLN 60 1.560 -6.892 -0.126 401 1HG GLN 60 HG2 GLN 60 2.026 -7.525 -2.261 402 2HG GLN 60 HG1 GLN 60 3.310 -6.329 -2.436 403 1HE2 GLN 60 1HE2 GLN 60 2.676 -9.403 -0.643 404 2HE2 GLN 60 2HE2 GLN 60 4.265 -9.981 -0.788 405 H SER 61 H SER 61 3.301 -3.646 1.346 406 HA SER 61 HA SER 61 0.733 -3.651 2.849 407 1HB SER 61 HB2 SER 61 2.511 -4.383 4.233 408 2HB SER 61 HB1 SER 61 3.606 -3.146 3.626 409 HG SER 61 HG SER 61 1.822 -3.041 5.660 410 H ALA 62 H ALA 62 -0.113 -1.672 3.699 411 HA ALA 62 HA ALA 62 0.592 0.699 2.046 412 1HB ALA 62 HB1 ALA 62 -1.826 -0.145 3.627 413 2HB ALA 62 HB2 ALA 62 -1.728 0.378 1.945 414 3HB ALA 62 HB3 ALA 62 -1.579 1.560 3.246 415 H ASP 63 H ASP 63 -0.015 -0.208 5.445 416 HA ASP 63 HA ASP 63 1.085 2.346 6.392 417 1HB ASP 63 HB2 ASP 63 0.520 -0.077 8.105 418 2HB ASP 63 HB1 ASP 63 0.464 1.627 8.561 419 H CYS 64 H CYS 64 2.885 2.147 8.143 420 HA CYS 64 HA CYS 64 4.930 0.283 7.050 421 1HB CYS 64 HB2 CYS 64 5.529 2.630 6.803 422 2HB CYS 64 HB1 CYS 64 5.357 2.876 8.527 423 HA PRO 65 HA PRO 65 4.709 -1.745 10.936 424 1HB PRO 65 HB2 PRO 65 6.675 -3.555 10.344 425 2HB PRO 65 HB1 PRO 65 5.016 -3.706 9.766 426 1HG PRO 65 HG2 PRO 65 7.479 -2.937 8.286 427 2HG PRO 65 HG1 PRO 65 5.973 -3.641 7.670 428 1HD PRO 65 HD2 PRO 65 6.740 -0.919 7.500 429 2HD PRO 65 HD1 PRO 65 5.129 -1.583 7.159 430 H ARG 66 H ARG 66 6.982 -2.891 12.133 431 HA ARG 66 HA ARG 66 8.960 -0.678 12.349 432 1HB ARG 66 HB2 ARG 66 8.841 -0.976 14.883 433 2HB ARG 66 HB1 ARG 66 7.463 -0.160 14.143 434 1HG ARG 66 HG2 ARG 66 6.670 -2.765 13.966 435 2HG ARG 66 HG1 ARG 66 7.602 -2.801 15.464 436 1HD ARG 66 HD2 ARG 66 6.173 -0.486 15.778 437 2HD ARG 66 HD1 ARG 66 5.025 -1.483 14.883 438 HE ARG 66 HE ARG 66 6.250 -2.903 17.115 439 1HH1 ARG 66 1HH1 ARG 66 4.935 -0.267 18.058 440 2HH1 ARG 66 2HH1 ARG 66 3.367 -0.849 18.508 441 1HH2 ARG 66 1HH2 ARG 66 3.720 -3.872 16.844 442 2HH2 ARG 66 2HH2 ARG 66 2.677 -2.889 17.816 443 H TYR 67 H TYR 67 11.031 -1.390 13.033 444 HA TYR 67 HA TYR 67 11.476 -4.285 12.683 445 1HB TYR 67 HB2 TYR 67 13.223 -1.845 12.783 446 2HB TYR 67 HB1 TYR 67 13.941 -3.429 13.078 447 HD1 TYR 67 HD1 TYR 67 11.895 -1.487 10.636 448 HD2 TYR 67 HD2 TYR 67 14.376 -4.931 11.298 449 HE1 TYR 67 HE1 TYR 67 11.920 -1.937 8.198 450 HE2 TYR 67 HE2 TYR 67 14.402 -5.380 8.859 451 HH TYR 67 HH TYR 67 12.816 -3.171 6.566 452 H HIS 68 H HIS 68 10.077 -4.146 14.939 453 HA HIS 68 HA HIS 68 12.109 -4.255 17.134 454 1HB HIS 68 HB2 HIS 68 9.680 -2.806 16.989 455 2HB HIS 68 HB1 HIS 68 9.401 -4.132 18.117 456 HD1 HIS 68 HD1 HIS 68 9.716 -1.106 19.000 457 HD2 HIS 68 HD2 HIS 68 12.738 -3.975 19.118 458 HE1 HIS 68 HE1 HIS 68 11.396 -0.306 20.718 Start of MODEL 16 1 1H GLY 1 HT1 GLY 1 -11.552 -12.375 7.647 2 2H GLY 1 HT2 GLY 1 -9.987 -11.715 7.640 3 3H GLY 1 HT3 GLY 1 -11.341 -10.698 7.502 4 1HA GLY 1 HA1 GLY 1 -11.822 -12.041 9.814 5 2HA GLY 1 HA2 GLY 1 -10.082 -11.757 9.846 6 H LYS 2 H LYS 2 -9.695 -9.356 8.746 7 HA LYS 2 HA LYS 2 -10.801 -7.527 10.707 8 1HB LYS 2 HB2 LYS 2 -9.024 -7.197 8.290 9 2HB LYS 2 HB1 LYS 2 -9.601 -5.803 9.205 10 1HG LYS 2 HG2 LYS 2 -8.298 -8.121 10.619 11 2HG LYS 2 HG1 LYS 2 -7.315 -6.862 9.871 12 1HD LYS 2 HD2 LYS 2 -8.715 -5.170 11.162 13 2HD LYS 2 HD1 LYS 2 -9.374 -6.537 12.062 14 1HE LYS 2 HE2 LYS 2 -7.418 -6.912 13.192 15 2HE LYS 2 HE1 LYS 2 -6.416 -6.436 11.822 16 1HZ LYS 2 HZ1 LYS 2 -7.353 -4.103 12.306 17 2HZ LYS 2 HZ2 LYS 2 -6.115 -4.711 13.298 18 3HZ LYS 2 HZ3 LYS 2 -7.726 -4.734 13.836 19 H GLU 3 H GLU 3 -12.059 -5.583 10.143 20 HA GLU 3 HA GLU 3 -13.735 -5.962 7.693 21 1HB GLU 3 HB2 GLU 3 -14.750 -6.445 10.099 22 2HB GLU 3 HB1 GLU 3 -14.890 -4.686 10.141 23 1HG GLU 3 HG2 GLU 3 -15.768 -5.515 7.573 24 2HG GLU 3 HG1 GLU 3 -16.545 -6.580 8.744 25 H CYS 4 H CYS 4 -11.395 -4.106 8.844 26 HA CYS 4 HA CYS 4 -12.574 -1.668 7.611 27 1HB CYS 4 HB2 CYS 4 -12.531 -1.505 10.147 28 2HB CYS 4 HB1 CYS 4 -10.771 -1.566 10.039 29 H ASP 5 H ASP 5 -11.253 -0.750 6.122 30 HA ASP 5 HA ASP 5 -8.423 -1.715 6.008 31 1HB ASP 5 HB2 ASP 5 -10.489 -1.746 4.034 32 2HB ASP 5 HB1 ASP 5 -9.266 -0.589 3.511 33 H CYS 6 H CYS 6 -10.215 0.872 6.904 34 HA CYS 6 HA CYS 6 -7.996 2.751 6.276 35 1HB CYS 6 HB2 CYS 6 -9.655 4.522 5.741 36 2HB CYS 6 HB1 CYS 6 -9.738 3.182 4.598 37 H SER 7 H SER 7 -7.347 3.649 8.178 38 HA SER 7 HA SER 7 -8.867 3.270 10.610 39 1HB SER 7 HB2 SER 7 -6.275 4.497 9.851 40 2HB SER 7 HB1 SER 7 -7.034 5.153 11.299 41 HG SER 7 HG SER 7 -6.527 2.408 10.752 42 H SER 8 H SER 8 -9.009 5.586 8.113 43 HA SER 8 HA SER 8 -10.262 7.599 9.916 44 1HB SER 8 HB2 SER 8 -9.446 7.854 7.007 45 2HB SER 8 HB1 SER 8 -10.036 9.157 8.035 46 HG SER 8 HG SER 8 -8.207 8.980 9.278 47 HA PRO 9 HA PRO 9 -14.155 6.145 8.333 48 1HB PRO 9 HB2 PRO 9 -15.703 7.980 9.668 49 2HB PRO 9 HB1 PRO 9 -15.007 6.543 10.437 50 1HG PRO 9 HG2 PRO 9 -14.169 9.394 10.680 51 2HG PRO 9 HG1 PRO 9 -13.955 8.061 11.826 52 1HD PRO 9 HD2 PRO 9 -11.968 9.103 10.095 53 2HD PRO 9 HD1 PRO 9 -11.865 7.588 11.014 54 H GLU 10 H GLU 10 -13.162 9.542 8.222 55 HA GLU 10 HA GLU 10 -15.165 10.167 6.147 56 1HB GLU 10 HB2 GLU 10 -14.348 11.763 8.023 57 2HB GLU 10 HB1 GLU 10 -12.917 11.979 7.015 58 1HG GLU 10 HG2 GLU 10 -15.089 12.202 5.250 59 2HG GLU 10 HG1 GLU 10 -15.569 13.108 6.686 60 H ASN 11 H ASN 11 -13.390 8.132 5.371 61 HA ASN 11 HA ASN 11 -11.441 9.467 3.567 62 1HB ASN 11 HB2 ASN 11 -10.509 7.647 4.850 63 2HB ASN 11 HB1 ASN 11 -11.835 6.578 4.392 64 1HD2 ASN 11 1HD2 ASN 11 -9.517 5.452 3.747 65 2HD2 ASN 11 2HD2 ASN 11 -9.115 5.645 2.110 66 HA PRO 12 HA PRO 12 -14.443 8.859 0.326 67 1HB PRO 12 HB2 PRO 12 -12.864 9.858 -1.695 68 2HB PRO 12 HB1 PRO 12 -13.755 10.875 -0.549 69 1HG PRO 12 HG2 PRO 12 -10.831 10.268 -0.644 70 2HG PRO 12 HG1 PRO 12 -11.659 11.706 -0.022 71 1HD PRO 12 HD2 PRO 12 -10.614 9.624 1.557 72 2HD PRO 12 HD1 PRO 12 -11.788 10.840 2.099 73 H CYS 13 H CYS 13 -11.178 7.592 0.358 74 HA CYS 13 HA CYS 13 -11.719 5.782 -1.912 75 1HB CYS 13 HB2 CYS 13 -9.360 6.770 -0.490 76 2HB CYS 13 HB1 CYS 13 -9.295 5.030 -0.772 77 H CYS 14 H CYS 14 -12.671 5.804 1.190 78 HA CYS 14 HA CYS 14 -12.688 2.837 1.316 79 1HB CYS 14 HB2 CYS 14 -10.850 3.381 2.755 80 2HB CYS 14 HB1 CYS 14 -11.741 4.709 3.494 81 H ASP 15 H ASP 15 -14.624 2.044 1.963 82 HA ASP 15 HA ASP 15 -16.832 3.905 2.370 83 1HB ASP 15 HB2 ASP 15 -16.747 1.493 1.237 84 2HB ASP 15 HB1 ASP 15 -17.108 0.974 2.882 85 H ALA 16 H ALA 16 -17.267 4.771 4.341 86 HA ALA 16 HA ALA 16 -16.070 3.778 6.775 87 1HB ALA 16 HB1 ALA 16 -16.524 6.020 7.025 88 2HB ALA 16 HB2 ALA 16 -18.021 5.382 7.708 89 3HB ALA 16 HB3 ALA 16 -17.983 5.941 6.037 90 H ALA 17 H ALA 17 -19.207 3.359 5.214 91 HA ALA 17 HA ALA 17 -20.699 2.258 7.328 92 1HB ALA 17 HB1 ALA 17 -21.575 2.682 5.024 93 2HB ALA 17 HB2 ALA 17 -21.985 1.073 5.621 94 3HB ALA 17 HB3 ALA 17 -20.674 1.276 4.457 95 H THR 18 H THR 18 -18.448 0.606 5.106 96 HA THR 18 HA THR 18 -18.534 -1.781 6.885 97 HB THR 18 HB THR 18 -17.357 -2.926 5.030 98 HG1 THR 18 HG1 THR 18 -16.994 -1.778 3.128 99 1HG2 THR 18 1HG2 THR 18 -19.741 -1.353 4.018 100 2HG2 THR 18 2HG2 THR 18 -19.861 -2.752 5.087 101 3HG2 THR 18 3HG2 THR 18 -19.202 -2.938 3.462 102 H CYS 19 H CYS 19 -16.656 0.973 6.156 103 HA CYS 19 HA CYS 19 -14.644 1.699 7.148 104 1HB CYS 19 HB2 CYS 19 -15.527 -0.098 8.956 105 2HB CYS 19 HB1 CYS 19 -14.087 -0.946 8.396 106 H LYS 20 H LYS 20 -15.038 -0.372 4.748 107 HA LYS 20 HA LYS 20 -12.112 -0.962 4.499 108 1HB LYS 20 HB2 LYS 20 -14.483 -2.437 3.322 109 2HB LYS 20 HB1 LYS 20 -12.799 -2.782 2.926 110 1HG LYS 20 HG2 LYS 20 -13.536 -2.700 5.820 111 2HG LYS 20 HG1 LYS 20 -14.075 -4.094 4.881 112 1HD LYS 20 HD2 LYS 20 -11.304 -3.387 4.295 113 2HD LYS 20 HD1 LYS 20 -11.547 -3.764 6.001 114 1HE LYS 20 HE2 LYS 20 -12.576 -5.526 3.765 115 2HE LYS 20 HE1 LYS 20 -11.000 -5.757 4.521 116 1HZ LYS 20 HZ1 LYS 20 -12.192 -5.852 6.685 117 2HZ LYS 20 HZ2 LYS 20 -12.542 -7.144 5.637 118 3HZ LYS 20 HZ3 LYS 20 -13.657 -5.875 5.829 119 H LEU 21 H LEU 21 -11.507 -1.191 2.055 120 HA LEU 21 HA LEU 21 -11.783 1.346 0.819 121 1HB LEU 21 HB2 LEU 21 -10.837 -1.347 -0.093 122 2HB LEU 21 HB1 LEU 21 -11.058 -0.069 -1.288 123 HG LEU 21 HG LEU 21 -9.697 0.954 1.057 124 1HD1 LEU 21 1HD1 LEU 21 -9.008 -1.719 0.369 125 2HD1 LEU 21 2HD1 LEU 21 -8.174 -0.644 1.492 126 3HD1 LEU 21 3HD1 LEU 21 -7.704 -0.683 -0.207 127 1HD2 LEU 21 1HD2 LEU 21 -8.106 0.796 -1.353 128 2HD2 LEU 21 2HD2 LEU 21 -8.813 2.217 -0.585 129 3HD2 LEU 21 3HD2 LEU 21 -9.757 1.285 -1.746 130 H ARG 22 H ARG 22 -13.379 2.194 -0.452 131 HA ARG 22 HA ARG 22 -15.728 0.507 -1.012 132 1HB ARG 22 HB2 ARG 22 -15.739 2.969 -0.153 133 2HB ARG 22 HB1 ARG 22 -15.479 3.385 -1.845 134 1HG ARG 22 HG2 ARG 22 -17.518 1.403 -1.773 135 2HG ARG 22 HG1 ARG 22 -17.925 2.624 -0.567 136 1HD ARG 22 HD2 ARG 22 -17.873 4.380 -2.177 137 2HD ARG 22 HD1 ARG 22 -17.076 3.357 -3.373 138 HE ARG 22 HE ARG 22 -19.268 2.838 -4.050 139 1HH1 ARG 22 1HH1 ARG 22 -19.942 4.482 -1.329 140 2HH1 ARG 22 2HH1 ARG 22 -21.184 3.434 -0.730 141 1HH2 ARG 22 1HH2 ARG 22 -20.489 0.887 -2.979 142 2HH2 ARG 22 2HH2 ARG 22 -21.494 1.399 -1.663 143 HA PRO 23 HA PRO 23 -14.478 1.686 -5.461 144 1HB PRO 23 HB2 PRO 23 -12.017 2.847 -5.837 145 2HB PRO 23 HB1 PRO 23 -13.502 3.771 -5.550 146 1HG PRO 23 HG2 PRO 23 -11.226 3.265 -3.700 147 2HG PRO 23 HG1 PRO 23 -12.402 4.589 -3.697 148 1HD PRO 23 HD2 PRO 23 -12.422 2.301 -2.005 149 2HD PRO 23 HD1 PRO 23 -13.712 3.509 -2.166 150 H GLY 24 H GLY 24 -12.141 1.211 -6.901 151 1HA GLY 24 HA2 GLY 24 -11.515 -1.560 -6.073 152 2HA GLY 24 HA1 GLY 24 -11.136 -0.840 -7.639 153 H ALA 25 H ALA 25 -10.418 0.923 -4.731 154 HA ALA 25 HA ALA 25 -7.590 1.009 -5.415 155 1HB ALA 25 HB1 ALA 25 -8.229 3.008 -4.441 156 2HB ALA 25 HB2 ALA 25 -7.622 2.170 -3.010 157 3HB ALA 25 HB3 ALA 25 -9.356 2.228 -3.330 158 H GLN 26 H GLN 26 -5.876 0.054 -4.246 159 HA GLN 26 HA GLN 26 -6.594 -2.394 -2.789 160 1HB GLN 26 HB2 GLN 26 -4.372 -1.495 -4.317 161 2HB GLN 26 HB1 GLN 26 -3.781 -1.806 -2.684 162 1HG GLN 26 HG2 GLN 26 -3.631 -3.949 -3.496 163 2HG GLN 26 HG1 GLN 26 -5.321 -3.988 -2.988 164 1HE2 GLN 26 1HE2 GLN 26 -3.187 -3.974 -5.774 165 2HE2 GLN 26 2HE2 GLN 26 -4.402 -4.141 -6.946 166 H CYS 27 H CYS 27 -6.120 0.838 -1.973 167 HA CYS 27 HA CYS 27 -6.080 0.197 0.877 168 1HB CYS 27 HB2 CYS 27 -4.023 1.721 1.199 169 2HB CYS 27 HB1 CYS 27 -3.726 0.083 0.615 170 H GLY 28 H GLY 28 -6.883 1.938 2.092 171 1HA GLY 28 HA2 GLY 28 -7.890 4.213 0.468 172 2HA GLY 28 HA1 GLY 28 -8.523 3.725 2.037 173 H GLU 29 H GLU 29 -5.560 3.441 2.893 174 HA GLU 29 HA GLU 29 -4.518 6.141 2.802 175 1HB GLU 29 HB2 GLU 29 -4.894 6.698 5.164 176 2HB GLU 29 HB1 GLU 29 -6.428 6.475 4.328 177 1HG GLU 29 HG2 GLU 29 -6.890 5.106 6.094 178 2HG GLU 29 HG1 GLU 29 -5.964 3.934 5.157 179 H GLY 30 H GLY 30 -2.567 6.348 4.212 180 1HA GLY 30 HA2 GLY 30 -1.208 4.771 5.846 181 2HA GLY 30 HA1 GLY 30 -1.193 3.718 4.427 182 H LEU 31 H LEU 31 1.230 4.572 5.360 183 HA LEU 31 HA LEU 31 1.991 6.969 3.854 184 1HB LEU 31 HB2 LEU 31 4.332 6.371 4.663 185 2HB LEU 31 HB1 LEU 31 3.170 6.842 5.888 186 HG LEU 31 HG LEU 31 4.688 4.767 6.289 187 1HD1 LEU 31 1HD1 LEU 31 3.265 4.375 7.975 188 2HD1 LEU 31 2HD1 LEU 31 1.992 3.859 6.873 189 3HD1 LEU 31 3HD1 LEU 31 2.205 5.570 7.232 190 1HD2 LEU 31 1HD2 LEU 31 3.863 2.662 5.443 191 2HD2 LEU 31 2HD2 LEU 31 4.099 3.727 4.063 192 3HD2 LEU 31 3HD2 LEU 31 2.480 3.444 4.690 193 H CYS 32 H CYS 32 1.527 3.771 3.117 194 HA CYS 32 HA CYS 32 3.574 3.852 0.940 195 1HB CYS 32 HB2 CYS 32 3.728 1.930 2.536 196 2HB CYS 32 HB1 CYS 32 2.099 1.455 2.061 197 H CYS 33 H CYS 33 0.313 4.304 1.546 198 HA CYS 33 HA CYS 33 -0.613 3.087 -0.975 199 1HB CYS 33 HB2 CYS 33 -2.023 3.059 1.105 200 2HB CYS 33 HB1 CYS 33 -2.169 4.811 0.972 201 H GLU 34 H GLU 34 0.038 4.222 -2.743 202 HA GLU 34 HA GLU 34 -0.202 7.194 -2.672 203 1HB GLU 34 HB2 GLU 34 1.996 6.040 -3.348 204 2HB GLU 34 HB1 GLU 34 1.152 5.552 -4.818 205 1HG GLU 34 HG2 GLU 34 2.367 7.653 -5.194 206 2HG GLU 34 HG1 GLU 34 0.625 7.924 -5.291 207 H GLN 35 H GLN 35 -2.032 7.977 -3.601 208 HA GLN 35 HA GLN 35 -3.811 8.194 -5.121 209 1HB GLN 35 HB2 GLN 35 -1.804 7.450 -6.713 210 2HB GLN 35 HB1 GLN 35 -2.755 5.968 -6.819 211 1HG GLN 35 HG2 GLN 35 -4.725 7.791 -7.150 212 2HG GLN 35 HG1 GLN 35 -3.371 8.687 -7.841 213 1HE2 GLN 35 1HE2 GLN 35 -5.498 7.757 -9.503 214 2HE2 GLN 35 2HE2 GLN 35 -4.897 6.540 -10.522 215 H CYS 36 H CYS 36 -3.852 6.346 -2.866 216 HA CYS 36 HA CYS 36 -5.288 4.719 -1.996 217 1HB CYS 36 HB2 CYS 36 -6.674 5.115 -4.664 218 2HB CYS 36 HB1 CYS 36 -7.327 4.185 -3.318 219 H LYS 37 H LYS 37 -2.874 3.992 -3.540 220 HA LYS 37 HA LYS 37 -3.652 1.179 -4.092 221 1HB LYS 37 HB2 LYS 37 -2.407 3.095 -6.031 222 2HB LYS 37 HB1 LYS 37 -1.917 1.400 -6.081 223 1HG LYS 37 HG2 LYS 37 -4.667 1.225 -5.869 224 2HG LYS 37 HG1 LYS 37 -4.449 2.632 -6.910 225 1HD LYS 37 HD2 LYS 37 -3.983 1.271 -8.638 226 2HD LYS 37 HD1 LYS 37 -2.590 0.645 -7.756 227 1HE LYS 37 HE2 LYS 37 -4.411 -0.779 -6.486 228 2HE LYS 37 HE1 LYS 37 -5.374 -0.461 -7.927 229 1HZ LYS 37 HZ1 LYS 37 -3.821 -1.517 -9.286 230 2HZ LYS 37 HZ2 LYS 37 -3.928 -2.528 -7.925 231 3HZ LYS 37 HZ3 LYS 37 -2.605 -1.477 -8.104 232 H PHE 38 H PHE 38 -2.024 -0.296 -3.547 233 HA PHE 38 HA PHE 38 -0.088 0.476 -1.629 234 1HB PHE 38 HB2 PHE 38 -0.267 -1.963 -3.411 235 2HB PHE 38 HB1 PHE 38 0.966 -1.781 -2.165 236 HD1 PHE 38 HD1 PHE 38 -0.282 -0.641 0.107 237 HD2 PHE 38 HD2 PHE 38 -1.960 -3.398 -2.726 238 HE1 PHE 38 HE1 PHE 38 -1.895 -1.418 1.823 239 HE2 PHE 38 HE2 PHE 38 -3.574 -4.178 -1.011 240 HZ PHE 38 HZ PHE 38 -3.541 -3.189 1.262 241 H SER 39 H SER 39 1.840 1.503 -1.880 242 HA SER 39 HA SER 39 2.838 2.198 -4.500 243 1HB SER 39 HB2 SER 39 4.191 2.365 -1.788 244 2HB SER 39 HB1 SER 39 4.763 3.143 -3.260 245 HG SER 39 HG SER 39 2.114 3.555 -2.456 246 H ARG 40 H ARG 40 5.701 1.496 -3.177 247 HA ARG 40 HA ARG 40 5.678 -1.355 -4.048 248 1HB ARG 40 HB2 ARG 40 7.845 0.622 -4.790 249 2HB ARG 40 HB1 ARG 40 7.679 -1.043 -5.346 250 1HG ARG 40 HG2 ARG 40 6.613 -0.129 -7.132 251 2HG ARG 40 HG1 ARG 40 5.241 0.017 -6.035 252 1HD ARG 40 HD2 ARG 40 5.337 2.252 -6.251 253 2HD ARG 40 HD1 ARG 40 6.943 2.231 -5.525 254 HE ARG 40 HE ARG 40 6.377 2.217 -8.444 255 1HH1 ARG 40 1HH1 ARG 40 8.808 0.972 -6.617 256 2HH1 ARG 40 2HH1 ARG 40 10.057 2.032 -7.177 257 1HH2 ARG 40 1HH2 ARG 40 7.874 4.168 -8.819 258 2HH2 ARG 40 2HH2 ARG 40 9.529 3.843 -8.423 259 H ALA 41 H ALA 41 6.934 -2.680 -2.801 260 HA ALA 41 HA ALA 41 7.671 -2.030 -0.196 261 1HB ALA 41 HB1 ALA 41 8.681 -4.127 -0.079 262 2HB ALA 41 HB2 ALA 41 9.345 -4.010 -1.707 263 3HB ALA 41 HB3 ALA 41 7.628 -4.340 -1.479 264 H GLY 42 H GLY 42 9.967 -2.009 0.701 265 1HA GLY 42 HA2 GLY 42 12.101 -1.021 0.785 266 2HA GLY 42 HA1 GLY 42 12.117 -1.060 -0.981 267 H LYS 43 H LYS 43 9.425 0.399 0.652 268 HA LYS 43 HA LYS 43 10.283 3.036 -0.447 269 1HB LYS 43 HB2 LYS 43 7.990 2.076 -0.946 270 2HB LYS 43 HB1 LYS 43 7.604 2.317 0.757 271 1HG LYS 43 HG2 LYS 43 6.883 4.217 -0.736 272 2HG LYS 43 HG1 LYS 43 7.962 4.700 0.573 273 1HD LYS 43 HD2 LYS 43 9.815 4.920 -0.870 274 2HD LYS 43 HD1 LYS 43 9.053 3.958 -2.137 275 1HE LYS 43 HE2 LYS 43 7.433 5.719 -2.574 276 2HE LYS 43 HE1 LYS 43 8.041 6.661 -1.213 277 1HZ LYS 43 HZ1 LYS 43 9.258 6.180 -3.834 278 2HZ LYS 43 HZ2 LYS 43 10.282 6.398 -2.496 279 3HZ LYS 43 HZ3 LYS 43 9.175 7.612 -2.927 280 H ILE 44 H ILE 44 11.505 4.161 1.000 281 HA ILE 44 HA ILE 44 11.654 3.839 3.768 282 HB ILE 44 HB ILE 44 13.248 5.250 2.633 283 1HG1 ILE 44 2HG1 ILE 44 13.043 7.368 4.022 284 2HG1 ILE 44 1HG1 ILE 44 11.479 6.765 4.571 285 1HG2 ILE 44 1HG2 ILE 44 12.559 6.615 0.980 286 2HG2 ILE 44 2HG2 ILE 44 11.768 7.642 2.177 287 3HG2 ILE 44 3HG2 ILE 44 10.876 6.321 1.423 288 1HD1 ILE 44 1HD1 ILE 44 12.655 4.653 5.315 289 2HD1 ILE 44 2HD1 ILE 44 13.112 6.100 6.213 290 3HD1 ILE 44 3HD1 ILE 44 14.184 5.461 4.966 291 H CYS 45 H CYS 45 9.990 3.867 5.176 292 HA CYS 45 HA CYS 45 7.844 5.919 4.792 293 1HB CYS 45 HB2 CYS 45 6.477 4.374 6.227 294 2HB CYS 45 HB1 CYS 45 6.918 3.702 4.659 295 H ARG 46 H ARG 46 10.383 4.854 6.868 296 HA ARG 46 HA ARG 46 9.604 6.952 8.815 297 1HB ARG 46 HB2 ARG 46 9.073 4.259 9.321 298 2HB ARG 46 HB1 ARG 46 10.577 4.572 10.189 299 1HG ARG 46 HG2 ARG 46 9.536 5.856 11.730 300 2HG ARG 46 HG1 ARG 46 8.647 6.746 10.494 301 1HD ARG 46 HD2 ARG 46 7.568 4.127 10.527 302 2HD ARG 46 HD1 ARG 46 7.708 4.631 12.210 303 HE ARG 46 HE ARG 46 5.763 5.868 11.710 304 1HH1 ARG 46 1HH2 ARG 46 5.492 5.180 8.851 305 2HH1 ARG 46 2HH2 ARG 46 5.729 6.704 8.061 306 1HH2 ARG 46 1HH1 ARG 46 7.182 8.210 10.825 307 2HH2 ARG 46 2HH1 ARG 46 6.684 8.420 9.179 308 H ILE 47 H ILE 47 11.363 8.120 9.370 309 HA ILE 47 HA ILE 47 14.031 6.807 9.181 310 HB ILE 47 HB ILE 47 13.396 8.397 7.233 311 1HG1 ILE 47 2HG1 ILE 47 15.892 9.352 8.551 312 2HG1 ILE 47 1HG1 ILE 47 15.755 7.619 8.252 313 1HG2 ILE 47 1HG2 ILE 47 13.621 10.751 7.636 314 2HG2 ILE 47 2HG2 ILE 47 14.147 10.481 9.297 315 3HG2 ILE 47 3HG2 ILE 47 12.478 10.145 8.836 316 1HD1 ILE 47 1HD1 ILE 47 15.807 7.867 5.974 317 2HD1 ILE 47 2HD1 ILE 47 16.683 9.340 6.394 318 3HD1 ILE 47 3HD1 ILE 47 14.960 9.413 6.018 319 HA PRO 48 HA PRO 48 14.104 8.526 13.299 320 1HB PRO 48 HB2 PRO 48 16.506 7.394 14.000 321 2HB PRO 48 HB1 PRO 48 14.970 6.512 14.002 322 1HG PRO 48 HG2 PRO 48 17.229 6.342 12.062 323 2HG PRO 48 HG1 PRO 48 16.014 5.123 12.478 324 1HD PRO 48 HD2 PRO 48 16.009 6.748 10.159 325 2HD PRO 48 HD1 PRO 48 14.653 5.763 10.750 326 H ARG 49 H ARG 49 17.434 8.295 12.026 327 HA ARG 49 HA ARG 49 17.717 11.120 11.562 328 1HB ARG 49 HB2 ARG 49 18.112 10.151 14.283 329 2HB ARG 49 HB1 ARG 49 19.556 10.939 13.646 330 1HG ARG 49 HG2 ARG 49 16.760 12.102 13.794 331 2HG ARG 49 HG1 ARG 49 18.183 12.639 14.687 332 1HD ARG 49 HD2 ARG 49 19.038 12.723 12.054 333 2HD ARG 49 HD1 ARG 49 17.363 13.262 11.943 334 HE ARG 49 HE ARG 49 18.718 14.600 14.109 335 1HH1 ARG 49 1HH1 ARG 49 19.347 14.326 10.793 336 2HH1 ARG 49 2HH1 ARG 49 19.333 16.030 10.483 337 1HH2 ARG 49 1HH2 ARG 49 18.285 16.869 13.681 338 2HH2 ARG 49 2HH2 ARG 49 18.736 17.470 12.120 339 H GLY 50 H GLY 50 19.193 8.000 12.141 340 1HA GLY 50 HA2 GLY 50 20.748 7.618 10.013 341 2HA GLY 50 HA1 GLY 50 21.696 8.871 10.817 342 H ASP 51 H ASP 51 21.239 8.053 13.513 343 HA ASP 51 HA ASP 51 23.207 5.943 13.728 344 1HB ASP 51 HB2 ASP 51 22.590 6.052 16.192 345 2HB ASP 51 HB1 ASP 51 23.125 7.579 15.487 346 H MET 52 H MET 52 19.915 5.872 13.055 347 HA MET 52 HA MET 52 19.733 3.054 14.045 348 1HB MET 52 HB2 MET 52 17.953 5.316 14.459 349 2HB MET 52 HB1 MET 52 17.115 3.983 13.666 350 1HG MET 52 HG2 MET 52 17.219 2.668 15.513 351 2HG MET 52 HG1 MET 52 18.883 3.136 15.861 352 1HE MET 52 HE1 MET 52 15.118 5.559 16.677 353 2HE MET 52 HE2 MET 52 15.053 3.824 16.983 354 3HE MET 52 HE3 MET 52 15.473 4.413 15.376 355 HA PRO 53 HA PRO 53 18.648 1.875 9.958 356 1HB PRO 53 HB2 PRO 53 16.616 0.073 10.378 357 2HB PRO 53 HB1 PRO 53 18.314 -0.265 10.748 358 1HG PRO 53 HG2 PRO 53 16.072 0.335 12.617 359 2HG PRO 53 HG1 PRO 53 17.559 -0.584 12.907 360 1HD PRO 53 HD2 PRO 53 17.068 2.090 13.714 361 2HD PRO 53 HD1 PRO 53 18.642 1.265 13.718 362 H ASP 54 H ASP 54 16.521 1.446 8.498 363 HA ASP 54 HA ASP 54 14.483 3.532 9.146 364 1HB ASP 54 HB2 ASP 54 15.603 3.102 6.368 365 2HB ASP 54 HB1 ASP 54 14.579 4.424 6.930 366 H ASP 55 H ASP 55 12.379 2.987 8.515 367 HA ASP 55 HA ASP 55 11.979 0.162 7.753 368 1HB ASP 55 HB2 ASP 55 10.676 1.431 9.589 369 2HB ASP 55 HB1 ASP 55 9.801 2.190 8.259 370 H ARG 56 H ARG 56 10.886 -0.484 5.848 371 HA ARG 56 HA ARG 56 10.331 1.676 3.865 372 1HB ARG 56 HB2 ARG 56 11.553 -0.940 3.033 373 2HB ARG 56 HB1 ARG 56 11.520 0.592 2.163 374 1HG ARG 56 HG2 ARG 56 12.836 1.259 4.495 375 2HG ARG 56 HG1 ARG 56 13.429 -0.370 4.170 376 1HD ARG 56 HD2 ARG 56 13.865 0.378 1.787 377 2HD ARG 56 HD1 ARG 56 13.522 2.024 2.320 378 HE ARG 56 HE ARG 56 15.431 1.335 4.097 379 1HH1 ARG 56 1HH2 ARG 56 15.300 1.876 0.775 380 2HH1 ARG 56 2HH2 ARG 56 16.934 1.396 0.459 381 1HH2 ARG 56 1HH1 ARG 56 17.494 0.234 3.679 382 2HH2 ARG 56 2HH1 ARG 56 18.179 0.470 2.105 383 H CYS 57 H CYS 57 8.569 1.274 2.495 384 HA CYS 57 HA CYS 57 6.470 -0.363 3.403 385 1HB CYS 57 HB2 CYS 57 6.260 1.431 1.648 386 2HB CYS 57 HB1 CYS 57 7.009 0.328 0.498 387 H THR 58 H THR 58 5.682 -2.426 2.584 388 HA THR 58 HA THR 58 7.913 -4.206 1.745 389 HB THR 58 HB THR 58 6.307 -6.031 2.477 390 HG1 THR 58 HG1 THR 58 4.388 -4.924 2.384 391 1HG2 THR 58 1HG2 THR 58 7.415 -5.929 4.432 392 2HG2 THR 58 2HG2 THR 58 6.505 -4.502 4.926 393 3HG2 THR 58 3HG2 THR 58 7.971 -4.323 3.965 394 H GLY 59 H GLY 59 5.798 -2.444 0.136 395 1HA GLY 59 HA2 GLY 59 5.181 -2.667 -2.147 396 2HA GLY 59 HA1 GLY 59 5.636 -4.368 -2.074 397 H GLN 60 H GLN 60 3.914 -4.681 0.426 398 HA GLN 60 HA GLN 60 1.257 -4.586 -0.946 399 1HB GLN 60 HB2 GLN 60 1.897 -6.735 1.044 400 2HB GLN 60 HB1 GLN 60 0.770 -6.769 -0.312 401 1HG GLN 60 HG2 GLN 60 3.086 -6.410 -1.660 402 2HG GLN 60 HG1 GLN 60 3.692 -7.301 -0.265 403 1HE2 GLN 60 1HE2 GLN 60 2.570 -7.823 -3.333 404 2HE2 GLN 60 2HE2 GLN 60 1.901 -9.369 -3.139 405 H SER 61 H SER 61 2.949 -3.262 1.515 406 HA SER 61 HA SER 61 0.632 -3.323 3.405 407 1HB SER 61 HB2 SER 61 3.487 -2.436 3.902 408 2HB SER 61 HB1 SER 61 2.211 -2.545 5.111 409 HG SER 61 HG SER 61 2.396 -4.661 5.123 410 H ALA 62 H ALA 62 -0.658 -1.543 3.371 411 HA ALA 62 HA ALA 62 0.064 0.833 1.879 412 1HB ALA 62 HB1 ALA 62 -2.038 1.644 3.413 413 2HB ALA 62 HB2 ALA 62 -2.267 -0.104 3.444 414 3HB ALA 62 HB3 ALA 62 -2.217 0.752 1.902 415 H ASP 63 H ASP 63 -0.418 0.225 5.375 416 HA ASP 63 HA ASP 63 0.713 2.833 6.052 417 1HB ASP 63 HB2 ASP 63 0.179 0.475 7.885 418 2HB ASP 63 HB1 ASP 63 0.382 2.162 8.359 419 H CYS 64 H CYS 64 2.538 2.528 7.985 420 HA CYS 64 HA CYS 64 4.613 0.812 6.718 421 1HB CYS 64 HB2 CYS 64 5.324 3.051 6.461 422 2HB CYS 64 HB1 CYS 64 4.871 3.479 8.105 423 HA PRO 65 HA PRO 65 4.256 -1.232 10.652 424 1HB PRO 65 HB2 PRO 65 5.513 -3.490 9.746 425 2HB PRO 65 HB1 PRO 65 3.793 -3.176 9.504 426 1HG PRO 65 HG2 PRO 65 6.033 -3.081 7.553 427 2HG PRO 65 HG1 PRO 65 4.299 -3.304 7.259 428 1HD PRO 65 HD2 PRO 65 5.777 -0.909 6.891 429 2HD PRO 65 HD1 PRO 65 4.008 -1.079 6.843 430 H ARG 66 H ARG 66 6.300 -2.981 11.437 431 HA ARG 66 HA ARG 66 8.617 -1.107 11.653 432 1HB ARG 66 HB2 ARG 66 9.182 -2.376 13.713 433 2HB ARG 66 HB1 ARG 66 7.563 -1.677 13.800 434 1HG ARG 66 HG2 ARG 66 7.362 -4.253 12.567 435 2HG ARG 66 HG1 ARG 66 8.303 -4.420 14.050 436 1HD ARG 66 HD2 ARG 66 6.104 -2.650 14.559 437 2HD ARG 66 HD1 ARG 66 5.483 -4.117 13.802 438 HE ARG 66 HE ARG 66 7.181 -5.107 15.721 439 1HH1 ARG 66 1HH1 ARG 66 4.030 -4.739 15.710 440 2HH1 ARG 66 2HH1 ARG 66 3.820 -4.173 17.334 441 1HH2 ARG 66 1HH2 ARG 66 7.190 -3.528 17.829 442 2HH2 ARG 66 2HH2 ARG 66 5.608 -3.489 18.533 443 H TYR 67 H TYR 67 10.599 -2.825 12.438 444 HA TYR 67 HA TYR 67 11.288 -4.126 9.934 445 1HB TYR 67 HB2 TYR 67 12.720 -4.482 12.574 446 2HB TYR 67 HB1 TYR 67 13.395 -4.585 10.948 447 HD1 TYR 67 HD1 TYR 67 13.696 -2.544 9.576 448 HD2 TYR 67 HD2 TYR 67 12.348 -2.349 13.650 449 HE1 TYR 67 HE1 TYR 67 14.213 -0.120 9.629 450 HE2 TYR 67 HE2 TYR 67 12.865 0.076 13.703 451 HH TYR 67 HH TYR 67 13.830 1.813 10.798 452 H HIS 68 H HIS 68 9.027 -5.376 10.476 453 HA HIS 68 HA HIS 68 9.662 -7.876 11.957 454 1HB HIS 68 HB2 HIS 68 7.545 -6.731 12.523 455 2HB HIS 68 HB1 HIS 68 7.028 -6.868 10.841 456 HD1 HIS 68 HD1 HIS 68 5.037 -8.283 12.193 457 HD2 HIS 68 HD2 HIS 68 8.767 -10.101 11.790 458 HE1 HIS 68 HE1 HIS 68 4.672 -10.760 12.576 Start of MODEL 17 1 1H GLY 1 HT1 GLY 1 -10.747 -11.745 10.006 2 2H GLY 1 HT2 GLY 1 -9.090 -11.554 10.327 3 3H GLY 1 HT3 GLY 1 -9.601 -12.547 9.046 4 1HA GLY 1 HA1 GLY 1 -8.734 -10.314 8.371 5 2HA GLY 1 HA2 GLY 1 -10.341 -10.722 7.773 6 H LYS 2 H LYS 2 -9.169 -8.047 8.322 7 HA LYS 2 HA LYS 2 -10.630 -7.091 10.692 8 1HB LYS 2 HB2 LYS 2 -8.386 -6.209 9.222 9 2HB LYS 2 HB1 LYS 2 -9.628 -4.978 8.993 10 1HG LYS 2 HG2 LYS 2 -9.698 -5.775 11.730 11 2HG LYS 2 HG1 LYS 2 -8.015 -5.451 11.308 12 1HD LYS 2 HD2 LYS 2 -8.616 -3.251 10.438 13 2HD LYS 2 HD1 LYS 2 -10.325 -3.573 10.737 14 1HE LYS 2 HE2 LYS 2 -9.057 -4.101 13.183 15 2HE LYS 2 HE1 LYS 2 -8.295 -2.627 12.583 16 1HZ LYS 2 HZ1 LYS 2 -10.131 -1.473 12.978 17 2HZ LYS 2 HZ2 LYS 2 -10.742 -2.825 13.805 18 3HZ LYS 2 HZ3 LYS 2 -11.108 -2.594 12.161 19 H GLU 3 H GLU 3 -11.966 -4.981 10.291 20 HA GLU 3 HA GLU 3 -13.726 -5.452 7.916 21 1HB GLU 3 HB2 GLU 3 -14.534 -5.734 10.456 22 2HB GLU 3 HB1 GLU 3 -14.744 -3.990 10.310 23 1HG GLU 3 HG2 GLU 3 -16.284 -4.204 8.528 24 2HG GLU 3 HG1 GLU 3 -15.817 -5.877 8.216 25 H CYS 4 H CYS 4 -11.551 -3.309 9.349 26 HA CYS 4 HA CYS 4 -12.674 -1.084 7.701 27 1HB CYS 4 HB2 CYS 4 -12.858 -0.553 10.100 28 2HB CYS 4 HB1 CYS 4 -11.133 -0.864 10.305 29 H ASP 5 H ASP 5 -11.282 -0.257 6.202 30 HA ASP 5 HA ASP 5 -8.479 -1.283 6.261 31 1HB ASP 5 HB2 ASP 5 -10.299 -1.583 4.274 32 2HB ASP 5 HB1 ASP 5 -9.559 -0.059 3.781 33 H CYS 6 H CYS 6 -10.436 1.564 6.396 34 HA CYS 6 HA CYS 6 -7.955 3.218 6.181 35 1HB CYS 6 HB2 CYS 6 -9.119 4.907 5.062 36 2HB CYS 6 HB1 CYS 6 -9.894 3.470 4.418 37 H SER 7 H SER 7 -9.300 5.598 7.246 38 HA SER 7 HA SER 7 -10.168 4.722 9.940 39 1HB SER 7 HB2 SER 7 -7.605 5.092 9.803 40 2HB SER 7 HB1 SER 7 -8.004 6.802 9.671 41 HG SER 7 HG SER 7 -9.110 5.171 11.691 42 H SER 8 H SER 8 -9.700 7.360 7.616 43 HA SER 8 HA SER 8 -11.509 9.093 9.187 44 1HB SER 8 HB2 SER 8 -10.665 9.983 6.502 45 2HB SER 8 HB1 SER 8 -10.598 10.835 8.043 46 HG SER 8 HG SER 8 -8.663 10.022 8.421 47 HA PRO 9 HA PRO 9 -15.013 7.907 6.780 48 1HB PRO 9 HB2 PRO 9 -16.663 9.962 7.558 49 2HB PRO 9 HB1 PRO 9 -16.282 8.572 8.589 50 1HG PRO 9 HG2 PRO 9 -15.289 11.376 8.781 51 2HG PRO 9 HG1 PRO 9 -15.445 10.152 10.051 52 1HD PRO 9 HD2 PRO 9 -13.043 10.896 8.735 53 2HD PRO 9 HD1 PRO 9 -13.270 9.484 9.790 54 H GLU 10 H GLU 10 -14.101 11.368 6.754 55 HA GLU 10 HA GLU 10 -15.456 12.177 4.426 56 1HB GLU 10 HB2 GLU 10 -13.976 13.559 6.060 57 2HB GLU 10 HB1 GLU 10 -12.640 13.092 5.009 58 1HG GLU 10 HG2 GLU 10 -13.264 15.010 3.908 59 2HG GLU 10 HG1 GLU 10 -14.389 13.898 3.129 60 H ASN 11 H ASN 11 -12.604 10.205 4.803 61 HA ASN 11 HA ASN 11 -11.575 10.366 2.150 62 1HB ASN 11 HB2 ASN 11 -10.381 9.336 4.075 63 2HB ASN 11 HB1 ASN 11 -11.531 8.001 4.045 64 1HD2 ASN 11 1HD2 ASN 11 -8.554 7.986 3.464 65 2HD2 ASN 11 2HD2 ASN 11 -8.416 7.319 1.910 66 HA PRO 12 HA PRO 12 -15.127 8.267 0.348 67 1HB PRO 12 HB2 PRO 12 -14.484 8.939 -2.239 68 2HB PRO 12 HB1 PRO 12 -15.328 10.026 -1.124 69 1HG PRO 12 HG2 PRO 12 -12.493 10.112 -2.040 70 2HG PRO 12 HG1 PRO 12 -13.531 11.434 -1.476 71 1HD PRO 12 HD2 PRO 12 -11.516 10.143 0.039 72 2HD PRO 12 HD1 PRO 12 -12.771 11.226 0.677 73 H CYS 13 H CYS 13 -11.761 7.675 -0.033 74 HA CYS 13 HA CYS 13 -11.925 5.580 -2.020 75 1HB CYS 13 HB2 CYS 13 -9.872 6.805 -0.366 76 2HB CYS 13 HB1 CYS 13 -9.684 5.052 -0.425 77 H CYS 14 H CYS 14 -12.553 5.721 1.396 78 HA CYS 14 HA CYS 14 -12.850 2.743 1.388 79 1HB CYS 14 HB2 CYS 14 -12.232 2.690 3.711 80 2HB CYS 14 HB1 CYS 14 -11.007 3.643 2.875 81 H ASP 15 H ASP 15 -14.869 2.025 1.787 82 HA ASP 15 HA ASP 15 -17.065 3.859 2.129 83 1HB ASP 15 HB2 ASP 15 -16.950 1.398 1.141 84 2HB ASP 15 HB1 ASP 15 -17.332 0.954 2.803 85 H ALA 16 H ALA 16 -17.646 4.817 4.004 86 HA ALA 16 HA ALA 16 -16.496 4.109 6.544 87 1HB ALA 16 HB1 ALA 16 -18.282 6.148 5.491 88 2HB ALA 16 HB2 ALA 16 -17.201 6.226 6.881 89 3HB ALA 16 HB3 ALA 16 -18.829 5.574 7.065 90 H ALA 17 H ALA 17 -19.438 3.158 4.876 91 HA ALA 17 HA ALA 17 -21.016 2.213 6.990 92 1HB ALA 17 HB1 ALA 17 -20.880 0.289 4.788 93 2HB ALA 17 HB2 ALA 17 -21.052 1.950 4.220 94 3HB ALA 17 HB3 ALA 17 -22.240 1.271 5.333 95 H THR 18 H THR 18 -18.457 0.410 5.253 96 HA THR 18 HA THR 18 -18.364 -1.472 7.568 97 HB THR 18 HB THR 18 -18.660 -2.756 5.610 98 HG1 THR 18 HG1 THR 18 -16.994 -3.920 6.057 99 1HG2 THR 18 1HG2 THR 18 -16.687 -0.863 4.312 100 2HG2 THR 18 2HG2 THR 18 -18.410 -1.002 3.963 101 3HG2 THR 18 3HG2 THR 18 -17.315 -2.315 3.536 102 H CYS 19 H CYS 19 -16.745 1.132 6.101 103 HA CYS 19 HA CYS 19 -14.789 2.233 6.835 104 1HB CYS 19 HB2 CYS 19 -15.382 0.893 9.035 105 2HB CYS 19 HB1 CYS 19 -14.022 -0.112 8.541 106 H LYS 20 H LYS 20 -15.046 -0.065 4.756 107 HA LYS 20 HA LYS 20 -12.112 -0.644 4.586 108 1HB LYS 20 HB2 LYS 20 -14.453 -2.209 3.462 109 2HB LYS 20 HB1 LYS 20 -12.755 -2.588 3.164 110 1HG LYS 20 HG2 LYS 20 -12.916 -2.325 5.942 111 2HG LYS 20 HG1 LYS 20 -14.390 -3.187 5.503 112 1HD LYS 20 HD2 LYS 20 -11.696 -3.996 4.405 113 2HD LYS 20 HD1 LYS 20 -12.300 -4.619 5.941 114 1HE LYS 20 HE2 LYS 20 -14.461 -5.167 4.562 115 2HE LYS 20 HE1 LYS 20 -13.383 -5.048 3.171 116 1HZ LYS 20 HZ1 LYS 20 -12.203 -6.565 5.264 117 2HZ LYS 20 HZ2 LYS 20 -12.497 -7.005 3.650 118 3HZ LYS 20 HZ3 LYS 20 -13.704 -7.220 4.825 119 H LEU 21 H LEU 21 -11.876 -1.364 1.968 120 HA LEU 21 HA LEU 21 -12.128 1.222 0.618 121 1HB LEU 21 HB2 LEU 21 -10.855 -1.421 -0.029 122 2HB LEU 21 HB1 LEU 21 -11.114 -0.242 -1.315 123 HG LEU 21 HG LEU 21 -10.047 1.175 0.905 124 1HD1 LEU 21 1HD1 LEU 21 -8.913 -0.503 1.962 125 2HD1 LEU 21 2HD1 LEU 21 -7.760 -0.266 0.650 126 3HD1 LEU 21 3HD1 LEU 21 -8.954 -1.558 0.551 127 1HD2 LEU 21 1HD2 LEU 21 -8.106 0.582 -1.163 128 2HD2 LEU 21 2HD2 LEU 21 -8.934 2.101 -0.823 129 3HD2 LEU 21 3HD2 LEU 21 -9.685 0.906 -1.879 130 H ARG 22 H ARG 22 -13.814 1.781 -0.680 131 HA ARG 22 HA ARG 22 -15.864 -0.237 -1.283 132 1HB ARG 22 HB2 ARG 22 -16.373 2.140 -0.517 133 2HB ARG 22 HB1 ARG 22 -15.891 2.663 -2.130 134 1HG ARG 22 HG2 ARG 22 -18.342 2.307 -1.975 135 2HG ARG 22 HG1 ARG 22 -17.590 1.218 -3.142 136 1HD ARG 22 HD2 ARG 22 -17.703 -0.631 -1.652 137 2HD ARG 22 HD1 ARG 22 -18.043 0.406 -0.268 138 HE ARG 22 HE ARG 22 -20.312 0.682 -1.090 139 1HH1 ARG 22 1HH2 ARG 22 -19.147 0.131 -3.997 140 2HH1 ARG 22 2HH2 ARG 22 -20.074 -1.277 -4.392 141 1HH2 ARG 22 1HH1 ARG 22 -21.158 -1.800 -1.139 142 2HH2 ARG 22 2HH1 ARG 22 -21.213 -2.370 -2.775 143 HA PRO 23 HA PRO 23 -14.508 0.901 -5.714 144 1HB PRO 23 HB2 PRO 23 -12.171 2.313 -6.013 145 2HB PRO 23 HB1 PRO 23 -13.761 3.077 -5.859 146 1HG PRO 23 HG2 PRO 23 -11.563 2.913 -3.862 147 2HG PRO 23 HG1 PRO 23 -12.874 4.097 -3.992 148 1HD PRO 23 HD2 PRO 23 -12.750 1.903 -2.185 149 2HD PRO 23 HD1 PRO 23 -14.152 2.949 -2.484 150 H GLY 24 H GLY 24 -11.989 0.662 -6.956 151 1HA GLY 24 HA2 GLY 24 -11.173 -2.005 -5.972 152 2HA GLY 24 HA1 GLY 24 -10.734 -1.304 -7.529 153 H ALA 25 H ALA 25 -10.390 0.813 -4.855 154 HA ALA 25 HA ALA 25 -7.546 1.049 -5.248 155 1HB ALA 25 HB1 ALA 25 -9.601 2.262 -3.512 156 2HB ALA 25 HB2 ALA 25 -8.234 3.017 -4.330 157 3HB ALA 25 HB3 ALA 25 -7.993 2.188 -2.793 158 H GLN 26 H GLN 26 -5.851 0.206 -4.007 159 HA GLN 26 HA GLN 26 -6.515 -2.180 -2.416 160 1HB GLN 26 HB2 GLN 26 -4.279 -1.286 -3.961 161 2HB GLN 26 HB1 GLN 26 -3.727 -1.576 -2.311 162 1HG GLN 26 HG2 GLN 26 -3.546 -3.718 -3.162 163 2HG GLN 26 HG1 GLN 26 -5.208 -3.767 -2.575 164 1HE2 GLN 26 1HE2 GLN 26 -6.539 -2.289 -4.574 165 2HE2 GLN 26 2HE2 GLN 26 -6.405 -3.102 -6.059 166 H CYS 27 H CYS 27 -6.140 1.107 -1.806 167 HA CYS 27 HA CYS 27 -6.155 0.673 1.069 168 1HB CYS 27 HB2 CYS 27 -4.051 2.212 1.302 169 2HB CYS 27 HB1 CYS 27 -3.827 0.487 1.015 170 H GLY 28 H GLY 28 -7.049 2.435 2.102 171 1HA GLY 28 HA2 GLY 28 -7.834 4.709 0.362 172 2HA GLY 28 HA1 GLY 28 -8.561 4.311 1.919 173 H GLU 29 H GLU 29 -5.672 3.875 2.907 174 HA GLU 29 HA GLU 29 -4.432 6.485 2.793 175 1HB GLU 29 HB2 GLU 29 -4.879 7.212 5.054 176 2HB GLU 29 HB1 GLU 29 -6.419 6.925 4.253 177 1HG GLU 29 HG2 GLU 29 -6.946 5.178 5.608 178 2HG GLU 29 HG1 GLU 29 -5.294 4.560 5.614 179 H GLY 30 H GLY 30 -2.444 6.540 4.044 180 1HA GLY 30 HA2 GLY 30 -1.367 4.789 5.845 181 2HA GLY 30 HA1 GLY 30 -1.236 3.881 4.337 182 H LEU 31 H LEU 31 1.123 4.542 5.540 183 HA LEU 31 HA LEU 31 2.046 7.078 4.401 184 1HB LEU 31 HB2 LEU 31 4.296 6.349 5.329 185 2HB LEU 31 HB1 LEU 31 3.034 6.658 6.504 186 HG LEU 31 HG LEU 31 4.526 4.528 6.724 187 1HD1 LEU 31 1HD1 LEU 31 1.787 3.600 7.001 188 2HD1 LEU 31 2HD1 LEU 31 1.990 5.243 7.599 189 3HD1 LEU 31 3HD1 LEU 31 2.989 3.940 8.243 190 1HD2 LEU 31 1HD2 LEU 31 4.094 3.795 4.360 191 2HD2 LEU 31 2HD2 LEU 31 2.418 3.491 4.804 192 3HD2 LEU 31 3HD2 LEU 31 3.711 2.569 5.559 193 H CYS 32 H CYS 32 1.531 4.084 3.143 194 HA CYS 32 HA CYS 32 3.558 4.589 1.021 195 1HB CYS 32 HB2 CYS 32 3.130 2.069 2.597 196 2HB CYS 32 HB1 CYS 32 3.690 1.973 0.926 197 H CYS 33 H CYS 33 0.834 5.286 0.906 198 HA CYS 33 HA CYS 33 -0.129 3.335 -1.140 199 1HB CYS 33 HB2 CYS 33 -1.518 3.110 0.868 200 2HB CYS 33 HB1 CYS 33 -1.802 4.850 0.891 201 H GLU 34 H GLU 34 0.319 4.456 -3.000 202 HA GLU 34 HA GLU 34 -0.313 7.357 -3.104 203 1HB GLU 34 HB2 GLU 34 1.911 6.172 -3.962 204 2HB GLU 34 HB1 GLU 34 0.926 5.878 -5.395 205 1HG GLU 34 HG2 GLU 34 1.871 7.959 -5.884 206 2HG GLU 34 HG1 GLU 34 0.324 8.420 -5.175 207 H GLN 35 H GLN 35 -2.172 7.985 -4.080 208 HA GLN 35 HA GLN 35 -4.075 7.909 -5.443 209 1HB GLN 35 HB2 GLN 35 -2.050 6.535 -6.913 210 2HB GLN 35 HB1 GLN 35 -3.551 5.624 -7.079 211 1HG GLN 35 HG2 GLN 35 -3.700 7.196 -8.820 212 2HG GLN 35 HG1 GLN 35 -4.641 7.946 -7.528 213 1HE2 GLN 35 1HE2 GLN 35 -4.105 10.082 -8.530 214 2HE2 GLN 35 2HE2 GLN 35 -2.580 10.776 -8.259 215 H CYS 36 H CYS 36 -3.910 6.443 -2.962 216 HA CYS 36 HA CYS 36 -5.165 4.861 -1.771 217 1HB CYS 36 HB2 CYS 36 -6.764 5.147 -4.313 218 2HB CYS 36 HB1 CYS 36 -7.246 4.008 -3.055 219 H LYS 37 H LYS 37 -3.008 4.138 -3.878 220 HA LYS 37 HA LYS 37 -3.695 1.229 -4.013 221 1HB LYS 37 HB2 LYS 37 -2.457 3.073 -6.008 222 2HB LYS 37 HB1 LYS 37 -1.850 1.417 -5.942 223 1HG LYS 37 HG2 LYS 37 -4.517 0.940 -5.857 224 2HG LYS 37 HG1 LYS 37 -4.503 2.426 -6.807 225 1HD LYS 37 HD2 LYS 37 -2.386 0.739 -7.743 226 2HD LYS 37 HD1 LYS 37 -3.871 -0.211 -7.682 227 1HE LYS 37 HE2 LYS 37 -4.519 2.375 -8.712 228 2HE LYS 37 HE1 LYS 37 -3.126 1.765 -9.604 229 1HZ LYS 37 HZ1 LYS 37 -4.311 -0.265 -10.056 230 2HZ LYS 37 HZ2 LYS 37 -5.241 1.058 -10.577 231 3HZ LYS 37 HZ3 LYS 37 -5.636 0.253 -9.133 232 H PHE 38 H PHE 38 -2.125 -0.194 -3.270 233 HA PHE 38 HA PHE 38 -0.261 0.624 -1.342 234 1HB PHE 38 HB2 PHE 38 -0.253 -1.816 -3.138 235 2HB PHE 38 HB1 PHE 38 0.849 -1.607 -1.777 236 HD1 PHE 38 HD2 PHE 38 -0.835 -0.306 0.238 237 HD2 PHE 38 HD1 PHE 38 -1.782 -3.482 -2.495 238 HE1 PHE 38 HE2 PHE 38 -2.598 -1.114 1.786 239 HE2 PHE 38 HE1 PHE 38 -3.544 -4.290 -0.947 240 HZ PHE 38 HZ PHE 38 -3.951 -3.106 1.194 241 H SER 39 H SER 39 1.601 1.768 -1.533 242 HA SER 39 HA SER 39 2.688 2.590 -4.039 243 1HB SER 39 HB2 SER 39 4.104 2.463 -1.360 244 2HB SER 39 HB1 SER 39 4.567 3.457 -2.738 245 HG SER 39 HG SER 39 2.788 4.692 -2.455 246 H ARG 40 H ARG 40 5.561 1.965 -3.220 247 HA ARG 40 HA ARG 40 5.575 -0.864 -4.195 248 1HB ARG 40 HB2 ARG 40 7.474 1.423 -4.776 249 2HB ARG 40 HB1 ARG 40 7.825 -0.255 -5.187 250 1HG ARG 40 HG2 ARG 40 5.238 1.015 -6.058 251 2HG ARG 40 HG1 ARG 40 6.712 1.253 -6.998 252 1HD ARG 40 HD2 ARG 40 6.612 -0.836 -7.844 253 2HD ARG 40 HD1 ARG 40 6.350 -1.540 -6.248 254 HE ARG 40 HE ARG 40 4.114 -0.342 -7.837 255 1HH1 ARG 40 1HH1 ARG 40 5.474 -3.288 -7.111 256 2HH1 ARG 40 2HH1 ARG 40 4.051 -3.989 -6.414 257 1HH2 ARG 40 1HH2 ARG 40 2.280 -1.010 -6.381 258 2HH2 ARG 40 2HH2 ARG 40 2.245 -2.698 -5.996 259 H ALA 41 H ALA 41 7.294 -2.219 -3.366 260 HA ALA 41 HA ALA 41 7.809 -1.869 -0.569 261 1HB ALA 41 HB1 ALA 41 8.619 -3.994 -0.689 262 2HB ALA 41 HB2 ALA 41 9.704 -3.599 -2.020 263 3HB ALA 41 HB3 ALA 41 8.011 -3.966 -2.345 264 H GLY 42 H GLY 42 10.109 -1.827 0.337 265 1HA GLY 42 HA2 GLY 42 12.197 -0.747 0.516 266 2HA GLY 42 HA1 GLY 42 12.195 -0.589 -1.244 267 H LYS 43 H LYS 43 9.453 0.519 0.575 268 HA LYS 43 HA LYS 43 10.082 3.299 -0.278 269 1HB LYS 43 HB2 LYS 43 7.869 2.624 -0.862 270 2HB LYS 43 HB1 LYS 43 7.575 1.954 0.741 271 1HG LYS 43 HG2 LYS 43 6.522 4.234 0.272 272 2HG LYS 43 HG1 LYS 43 7.488 4.111 1.743 273 1HD LYS 43 HD2 LYS 43 9.108 5.512 0.947 274 2HD LYS 43 HD1 LYS 43 8.987 4.877 -0.696 275 1HE LYS 43 HE2 LYS 43 6.584 6.086 -0.524 276 2HE LYS 43 HE1 LYS 43 7.493 7.107 0.589 277 1HZ LYS 43 HZ1 LYS 43 8.835 7.866 -1.052 278 2HZ LYS 43 HZ2 LYS 43 7.461 7.539 -1.999 279 3HZ LYS 43 HZ3 LYS 43 8.752 6.435 -1.958 280 H ILE 44 H ILE 44 11.418 4.261 1.200 281 HA ILE 44 HA ILE 44 11.650 3.721 3.941 282 HB ILE 44 HB ILE 44 13.227 5.164 2.729 283 1HG1 ILE 44 2HG1 ILE 44 13.541 6.834 4.465 284 2HG1 ILE 44 1HG1 ILE 44 11.849 6.709 4.947 285 1HG2 ILE 44 1HG2 ILE 44 12.528 6.908 1.485 286 2HG2 ILE 44 2HG2 ILE 44 11.698 7.624 2.868 287 3HG2 ILE 44 3HG2 ILE 44 10.870 6.436 1.860 288 1HD1 ILE 44 1HD1 ILE 44 13.550 5.416 6.375 289 2HD1 ILE 44 2HD1 ILE 44 13.699 4.322 5.001 290 3HD1 ILE 44 3HD1 ILE 44 12.145 4.514 5.810 291 H CYS 45 H CYS 45 9.647 3.442 4.965 292 HA CYS 45 HA CYS 45 7.685 5.658 4.911 293 1HB CYS 45 HB2 CYS 45 6.350 4.126 6.357 294 2HB CYS 45 HB1 CYS 45 6.787 3.417 4.804 295 H ARG 46 H ARG 46 10.059 4.202 7.062 296 HA ARG 46 HA ARG 46 9.655 6.507 8.902 297 1HB ARG 46 HB2 ARG 46 9.562 3.579 9.618 298 2HB ARG 46 HB1 ARG 46 10.063 4.784 10.804 299 1HG ARG 46 HG2 ARG 46 7.946 6.012 10.442 300 2HG ARG 46 HG1 ARG 46 7.439 4.780 9.284 301 1HD ARG 46 HD2 ARG 46 7.526 3.064 11.032 302 2HD ARG 46 HD1 ARG 46 8.101 4.256 12.198 303 HE ARG 46 HE ARG 46 5.375 4.310 10.967 304 1HH1 ARG 46 1HH2 ARG 46 6.710 3.672 13.869 305 2HH1 ARG 46 2HH2 ARG 46 5.962 4.963 14.750 306 1HH2 ARG 46 1HH1 ARG 46 4.801 6.582 11.914 307 2HH2 ARG 46 2HH1 ARG 46 4.883 6.610 13.644 308 H ILE 47 H ILE 47 11.514 6.950 10.212 309 HA ILE 47 HA ILE 47 14.040 6.197 8.870 310 HB ILE 47 HB ILE 47 13.312 8.583 9.523 311 1HG1 ILE 47 2HG1 ILE 47 15.982 7.688 10.616 312 2HG1 ILE 47 1HG1 ILE 47 15.644 7.823 8.890 313 1HG2 ILE 47 1HG2 ILE 47 12.868 7.499 11.969 314 2HG2 ILE 47 2HG2 ILE 47 13.215 9.209 11.720 315 3HG2 ILE 47 3HG2 ILE 47 14.508 8.107 12.195 316 1HD1 ILE 47 1HD1 ILE 47 16.495 9.926 9.312 317 2HD1 ILE 47 2HD1 ILE 47 15.854 9.970 10.955 318 3HD1 ILE 47 3HD1 ILE 47 14.777 10.217 9.578 319 HA PRO 48 HA PRO 48 15.046 3.346 12.061 320 1HB PRO 48 HB2 PRO 48 17.778 3.306 11.704 321 2HB PRO 48 HB1 PRO 48 16.632 2.442 10.667 322 1HG PRO 48 HG2 PRO 48 18.153 4.945 10.119 323 2HG PRO 48 HG1 PRO 48 17.530 3.738 8.981 324 1HD PRO 48 HD2 PRO 48 16.369 6.235 9.508 325 2HD PRO 48 HD1 PRO 48 15.566 4.890 8.688 326 H ARG 49 H ARG 49 16.088 3.261 14.132 327 HA ARG 49 HA ARG 49 17.541 5.618 15.132 328 1HB ARG 49 HB2 ARG 49 14.676 5.182 15.625 329 2HB ARG 49 HB1 ARG 49 15.613 5.309 17.113 330 1HG ARG 49 HG2 ARG 49 16.562 7.435 16.381 331 2HG ARG 49 HG1 ARG 49 15.737 7.298 14.828 332 1HD ARG 49 HD2 ARG 49 13.555 7.197 16.132 333 2HD ARG 49 HD1 ARG 49 14.484 7.661 17.558 334 HE ARG 49 HE ARG 49 15.090 9.759 16.298 335 1HH1 ARG 49 1HH2 ARG 49 12.043 8.329 16.240 336 2HH1 ARG 49 2HH2 ARG 49 11.382 9.382 15.033 337 1HH2 ARG 49 1HH1 ARG 49 14.415 10.908 14.328 338 2HH2 ARG 49 2HH1 ARG 49 12.727 10.841 13.950 339 H GLY 50 H GLY 50 19.165 4.008 15.468 340 1HA GLY 50 HA2 GLY 50 20.236 2.731 17.255 341 2HA GLY 50 HA1 GLY 50 18.629 2.222 17.795 342 H ASP 51 H ASP 51 17.776 1.876 14.971 343 HA ASP 51 HA ASP 51 19.027 -0.784 14.479 344 1HB ASP 51 HB2 ASP 51 16.347 0.433 13.825 345 2HB ASP 51 HB1 ASP 51 16.956 -0.918 12.868 346 H MET 52 H MET 52 20.517 -0.779 12.895 347 HA MET 52 HA MET 52 21.274 1.395 11.337 348 1HB MET 52 HB2 MET 52 21.534 -1.480 10.434 349 2HB MET 52 HB1 MET 52 22.566 -0.122 9.995 350 1HG MET 52 HG2 MET 52 22.271 -1.388 12.731 351 2HG MET 52 HG1 MET 52 23.713 -1.355 11.716 352 1HE MET 52 HE1 MET 52 22.006 1.318 14.681 353 2HE MET 52 HE2 MET 52 23.422 0.360 15.108 354 3HE MET 52 HE3 MET 52 22.024 -0.424 14.377 355 HA PRO 53 HA PRO 53 18.558 -0.117 7.714 356 1HB PRO 53 HB2 PRO 53 16.544 -1.895 8.289 357 2HB PRO 53 HB1 PRO 53 18.169 -2.373 7.772 358 1HG PRO 53 HG2 PRO 53 16.948 -2.515 10.486 359 2HG PRO 53 HG1 PRO 53 18.247 -3.495 9.788 360 1HD PRO 53 HD2 PRO 53 18.577 -1.355 11.603 361 2HD PRO 53 HD1 PRO 53 19.861 -2.125 10.655 362 H ASP 54 H ASP 54 17.208 1.522 7.203 363 HA ASP 54 HA ASP 54 15.584 2.979 9.057 364 1HB ASP 54 HB2 ASP 54 15.174 2.808 6.059 365 2HB ASP 54 HB1 ASP 54 14.768 4.154 7.124 366 H ASP 55 H ASP 55 13.209 2.965 7.098 367 HA ASP 55 HA ASP 55 12.021 0.322 7.779 368 1HB ASP 55 HB2 ASP 55 11.106 3.025 8.678 369 2HB ASP 55 HB1 ASP 55 9.873 1.842 8.238 370 H ARG 56 H ARG 56 11.899 -0.329 5.628 371 HA ARG 56 HA ARG 56 10.579 1.523 3.698 372 1HB ARG 56 HB2 ARG 56 11.952 -1.076 3.024 373 2HB ARG 56 HB1 ARG 56 11.607 0.286 1.960 374 1HG ARG 56 HG2 ARG 56 13.238 1.009 4.298 375 2HG ARG 56 HG1 ARG 56 14.017 -0.154 3.226 376 1HD ARG 56 HD2 ARG 56 13.765 1.308 1.330 377 2HD ARG 56 HD1 ARG 56 12.733 2.406 2.244 378 HE ARG 56 HE ARG 56 15.377 2.075 3.431 379 1HH1 ARG 56 1HH2 ARG 56 13.783 3.479 0.739 380 2HH1 ARG 56 2HH2 ARG 56 14.631 4.987 0.842 381 1HH2 ARG 56 1HH1 ARG 56 16.345 4.129 3.732 382 2HH2 ARG 56 2HH1 ARG 56 16.082 5.354 2.536 383 H CYS 57 H CYS 57 8.670 0.958 2.704 384 HA CYS 57 HA CYS 57 7.045 -1.086 3.972 385 1HB CYS 57 HB2 CYS 57 6.582 0.571 1.475 386 2HB CYS 57 HB1 CYS 57 5.370 -0.452 2.233 387 H THR 58 H THR 58 5.982 -2.825 2.677 388 HA THR 58 HA THR 58 7.993 -4.236 1.060 389 HB THR 58 HB THR 58 6.958 -5.744 2.515 390 HG1 THR 58 HG1 THR 58 5.065 -6.484 0.855 391 1HG2 THR 58 1HG2 THR 58 4.302 -5.724 2.516 392 2HG2 THR 58 2HG2 THR 58 4.549 -4.050 2.022 393 3HG2 THR 58 3HG2 THR 58 5.218 -4.624 3.547 394 H GLY 59 H GLY 59 5.676 -1.980 0.390 395 1HA GLY 59 HA2 GLY 59 5.014 -1.246 -1.780 396 2HA GLY 59 HA1 GLY 59 5.646 -2.752 -2.449 397 H GLN 60 H GLN 60 4.013 -3.972 -0.024 398 HA GLN 60 HA GLN 60 1.459 -4.115 -1.557 399 1HB GLN 60 HB2 GLN 60 1.213 -6.350 -0.840 400 2HB GLN 60 HB1 GLN 60 2.941 -6.221 -1.161 401 1HG GLN 60 HG2 GLN 60 3.234 -6.994 0.946 402 2HG GLN 60 HG1 GLN 60 2.732 -5.388 1.476 403 1HE2 GLN 60 1HE2 GLN 60 2.099 -7.365 3.250 404 2HE2 GLN 60 2HE2 GLN 60 0.447 -7.754 3.180 405 H SER 61 H SER 61 2.940 -3.318 1.484 406 HA SER 61 HA SER 61 0.291 -3.195 2.830 407 1HB SER 61 HB2 SER 61 3.136 -3.153 3.735 408 2HB SER 61 HB1 SER 61 1.949 -2.314 4.732 409 HG SER 61 HG SER 61 2.346 -4.674 5.094 410 H ALA 62 H ALA 62 -0.840 -1.317 2.748 411 HA ALA 62 HA ALA 62 0.247 1.103 1.631 412 1HB ALA 62 HB1 ALA 62 -2.067 0.974 1.405 413 2HB ALA 62 HB2 ALA 62 -1.915 2.080 2.770 414 3HB ALA 62 HB3 ALA 62 -2.299 0.381 3.049 415 H ASP 63 H ASP 63 -0.468 0.091 4.973 416 HA ASP 63 HA ASP 63 0.567 2.597 6.064 417 1HB ASP 63 HB2 ASP 63 0.170 0.043 7.627 418 2HB ASP 63 HB1 ASP 63 0.036 1.709 8.193 419 H CYS 64 H CYS 64 2.361 2.131 7.955 420 HA CYS 64 HA CYS 64 4.493 0.585 6.564 421 1HB CYS 64 HB2 CYS 64 5.204 2.819 6.526 422 2HB CYS 64 HB1 CYS 64 4.660 3.136 8.164 423 HA PRO 65 HA PRO 65 3.988 -1.733 10.366 424 1HB PRO 65 HB2 PRO 65 4.598 -4.099 9.135 425 2HB PRO 65 HB1 PRO 65 2.969 -3.421 9.168 426 1HG PRO 65 HG2 PRO 65 4.888 -3.622 6.918 427 2HG PRO 65 HG1 PRO 65 3.130 -3.413 6.872 428 1HD PRO 65 HD2 PRO 65 5.108 -1.392 6.480 429 2HD PRO 65 HD1 PRO 65 3.354 -1.158 6.607 430 H ARG 66 H ARG 66 5.605 -3.346 11.378 431 HA ARG 66 HA ARG 66 8.388 -2.532 10.648 432 1HB ARG 66 HB2 ARG 66 8.614 -3.596 13.162 433 2HB ARG 66 HB1 ARG 66 8.396 -1.877 12.834 434 1HG ARG 66 HG2 ARG 66 5.993 -2.068 13.117 435 2HG ARG 66 HG1 ARG 66 6.109 -3.821 13.268 436 1HD ARG 66 HD2 ARG 66 5.896 -2.613 15.472 437 2HD ARG 66 HD1 ARG 66 7.331 -3.630 15.345 438 HE ARG 66 HE ARG 66 7.309 -0.662 15.283 439 1HH1 ARG 66 1HH1 ARG 66 8.820 -3.283 16.599 440 2HH1 ARG 66 2HH1 ARG 66 10.440 -2.783 16.249 441 1HH2 ARG 66 1HH2 ARG 66 9.470 -0.166 14.189 442 2HH2 ARG 66 2HH2 ARG 66 10.809 -1.018 14.884 443 H TYR 67 H TYR 67 10.052 -4.285 11.098 444 HA TYR 67 HA TYR 67 8.879 -6.932 10.359 445 1HB TYR 67 HB2 TYR 67 10.912 -7.436 9.220 446 2HB TYR 67 HB1 TYR 67 10.526 -5.773 8.778 447 HD1 TYR 67 HD2 TYR 67 11.682 -3.871 9.974 448 HD2 TYR 67 HD1 TYR 67 12.885 -7.967 10.442 449 HE1 TYR 67 HE2 TYR 67 13.862 -3.127 10.896 450 HE2 TYR 67 HE1 TYR 67 15.064 -7.225 11.364 451 HH TYR 67 HH TYR 67 15.839 -3.755 11.675 452 H HIS 68 H HIS 68 9.865 -5.405 13.045 453 HA HIS 68 HA HIS 68 11.841 -6.869 14.326 454 1HB HIS 68 HB2 HIS 68 10.751 -6.352 16.421 455 2HB HIS 68 HB1 HIS 68 10.479 -4.993 15.330 456 HD1 HIS 68 HD1 HIS 68 8.102 -5.297 13.874 457 HD2 HIS 68 HD2 HIS 68 8.402 -7.253 17.543 458 HE1 HIS 68 HE1 HIS 68 5.735 -5.846 14.587 Start of MODEL 18 1 1H GLY 1 HT1 GLY 1 -12.654 -7.752 15.861 2 2H GLY 1 HT2 GLY 1 -12.053 -8.309 14.373 3 3H GLY 1 HT3 GLY 1 -13.633 -8.703 14.855 4 1HA GLY 1 HA1 GLY 1 -14.425 -6.899 13.881 5 2HA GLY 1 HA2 GLY 1 -13.379 -5.912 14.902 6 H LYS 2 H LYS 2 -13.089 -8.073 12.054 7 HA LYS 2 HA LYS 2 -11.003 -6.214 11.002 8 1HB LYS 2 HB2 LYS 2 -11.622 -9.008 10.014 9 2HB LYS 2 HB1 LYS 2 -10.178 -8.044 9.693 10 1HG LYS 2 HG2 LYS 2 -9.280 -8.436 11.784 11 2HG LYS 2 HG1 LYS 2 -10.861 -8.616 12.545 12 1HD LYS 2 HD2 LYS 2 -10.497 -10.845 12.457 13 2HD LYS 2 HD1 LYS 2 -10.783 -10.710 10.721 14 1HE LYS 2 HE2 LYS 2 -8.683 -11.644 10.636 15 2HE LYS 2 HE1 LYS 2 -8.205 -9.951 10.771 16 1HZ LYS 2 HZ1 LYS 2 -8.711 -11.014 13.335 17 2HZ LYS 2 HZ2 LYS 2 -7.267 -10.368 12.714 18 3HZ LYS 2 HZ3 LYS 2 -7.614 -12.020 12.520 19 H GLU 3 H GLU 3 -12.682 -4.719 10.239 20 HA GLU 3 HA GLU 3 -13.642 -5.479 7.557 21 1HB GLU 3 HB2 GLU 3 -15.962 -4.534 8.196 22 2HB GLU 3 HB1 GLU 3 -15.577 -6.169 8.731 23 1HG GLU 3 HG2 GLU 3 -15.209 -5.493 10.952 24 2HG GLU 3 HG1 GLU 3 -14.962 -3.808 10.495 25 H CYS 4 H CYS 4 -11.889 -3.435 9.139 26 HA CYS 4 HA CYS 4 -12.912 -1.100 7.602 27 1HB CYS 4 HB2 CYS 4 -13.385 -0.946 10.119 28 2HB CYS 4 HB1 CYS 4 -11.639 -0.800 10.324 29 H ASP 5 H ASP 5 -11.339 -1.389 5.991 30 HA ASP 5 HA ASP 5 -8.538 -1.808 6.614 31 1HB ASP 5 HB2 ASP 5 -9.860 -2.312 4.409 32 2HB ASP 5 HB1 ASP 5 -9.506 -0.629 4.020 33 H CYS 6 H CYS 6 -10.596 0.949 6.531 34 HA CYS 6 HA CYS 6 -8.217 2.758 6.447 35 1HB CYS 6 HB2 CYS 6 -9.795 4.549 5.884 36 2HB CYS 6 HB1 CYS 6 -9.979 3.208 4.752 37 H SER 7 H SER 7 -8.575 4.767 7.917 38 HA SER 7 HA SER 7 -9.789 3.852 10.496 39 1HB SER 7 HB2 SER 7 -7.571 3.970 11.108 40 2HB SER 7 HB1 SER 7 -7.179 5.146 9.857 41 HG SER 7 HG SER 7 -8.179 6.730 11.099 42 H SER 8 H SER 8 -10.459 5.788 8.028 43 HA SER 8 HA SER 8 -11.565 7.922 9.801 44 1HB SER 8 HB2 SER 8 -10.617 8.336 6.955 45 2HB SER 8 HB1 SER 8 -11.154 9.573 8.087 46 HG SER 8 HG SER 8 -8.790 8.047 8.062 47 HA PRO 9 HA PRO 9 -15.326 6.558 7.880 48 1HB PRO 9 HB2 PRO 9 -16.953 8.428 9.065 49 2HB PRO 9 HB1 PRO 9 -16.346 6.989 9.902 50 1HG PRO 9 HG2 PRO 9 -15.494 9.829 10.199 51 2HG PRO 9 HG1 PRO 9 -15.392 8.498 11.364 52 1HD PRO 9 HD2 PRO 9 -13.257 9.509 9.788 53 2HD PRO 9 HD1 PRO 9 -13.245 8.005 10.734 54 H GLU 10 H GLU 10 -13.840 9.632 7.465 55 HA GLU 10 HA GLU 10 -15.865 10.503 5.472 56 1HB GLU 10 HB2 GLU 10 -13.486 11.866 6.749 57 2HB GLU 10 HB1 GLU 10 -14.352 12.568 5.382 58 1HG GLU 10 HG2 GLU 10 -16.460 12.470 6.676 59 2HG GLU 10 HG1 GLU 10 -15.576 11.804 8.049 60 H ASN 11 H ASN 11 -12.805 8.949 5.672 61 HA ASN 11 HA ASN 11 -11.441 9.694 3.378 62 1HB ASN 11 HB2 ASN 11 -10.798 7.869 5.019 63 2HB ASN 11 HB1 ASN 11 -11.900 6.803 4.150 64 1HD2 ASN 11 1HD2 ASN 11 -8.713 7.303 4.353 65 2HD2 ASN 11 2HD2 ASN 11 -8.240 7.069 2.741 66 HA PRO 12 HA PRO 12 -14.472 8.818 0.237 67 1HB PRO 12 HB2 PRO 12 -12.911 9.633 -1.874 68 2HB PRO 12 HB1 PRO 12 -13.768 10.753 -0.801 69 1HG PRO 12 HG2 PRO 12 -10.857 10.125 -0.917 70 2HG PRO 12 HG1 PRO 12 -11.666 11.592 -0.342 71 1HD PRO 12 HD2 PRO 12 -10.595 9.528 1.283 72 2HD PRO 12 HD1 PRO 12 -11.657 10.848 1.823 73 H CYS 13 H CYS 13 -11.117 7.675 0.103 74 HA CYS 13 HA CYS 13 -11.698 5.685 -1.960 75 1HB CYS 13 HB2 CYS 13 -9.336 6.662 -0.527 76 2HB CYS 13 HB1 CYS 13 -9.321 4.915 -0.761 77 H CYS 14 H CYS 14 -12.487 5.870 1.257 78 HA CYS 14 HA CYS 14 -12.436 2.891 1.504 79 1HB CYS 14 HB2 CYS 14 -10.967 3.765 3.182 80 2HB CYS 14 HB1 CYS 14 -12.119 5.025 3.621 81 H ASP 15 H ASP 15 -14.440 2.033 1.439 82 HA ASP 15 HA ASP 15 -16.831 3.609 1.441 83 1HB ASP 15 HB2 ASP 15 -16.526 1.250 0.491 84 2HB ASP 15 HB1 ASP 15 -16.671 0.670 2.152 85 H ALA 16 H ALA 16 -17.548 4.696 3.221 86 HA ALA 16 HA ALA 16 -16.733 4.066 5.901 87 1HB ALA 16 HB1 ALA 16 -18.777 5.880 4.667 88 2HB ALA 16 HB2 ALA 16 -17.405 6.283 5.698 89 3HB ALA 16 HB3 ALA 16 -18.857 5.569 6.401 90 H ALA 17 H ALA 17 -19.571 3.207 3.971 91 HA ALA 17 HA ALA 17 -21.219 2.141 5.997 92 1HB ALA 17 HB1 ALA 17 -22.480 1.520 4.230 93 2HB ALA 17 HB2 ALA 17 -21.214 0.446 3.635 94 3HB ALA 17 HB3 ALA 17 -21.205 2.153 3.189 95 H THR 18 H THR 18 -18.721 0.451 4.068 96 HA THR 18 HA THR 18 -18.828 -1.808 5.988 97 HB THR 18 HB THR 18 -17.842 -3.105 4.345 98 HG1 THR 18 HG1 THR 18 -15.981 -2.377 3.745 99 1HG2 THR 18 1HG2 THR 18 -18.833 -2.598 2.237 100 2HG2 THR 18 2HG2 THR 18 -18.805 -0.864 2.559 101 3HG2 THR 18 3HG2 THR 18 -19.917 -1.908 3.445 102 H CYS 19 H CYS 19 -17.120 1.073 5.518 103 HA CYS 19 HA CYS 19 -15.275 1.947 6.697 104 1HB CYS 19 HB2 CYS 19 -16.244 0.048 8.404 105 2HB CYS 19 HB1 CYS 19 -14.633 -0.589 8.085 106 H LYS 20 H LYS 20 -15.268 -0.298 4.383 107 HA LYS 20 HA LYS 20 -12.284 -0.537 4.394 108 1HB LYS 20 HB2 LYS 20 -14.223 -2.476 3.103 109 2HB LYS 20 HB1 LYS 20 -12.479 -2.674 3.285 110 1HG LYS 20 HG2 LYS 20 -12.966 -2.411 5.841 111 2HG LYS 20 HG1 LYS 20 -14.622 -2.819 5.394 112 1HD LYS 20 HD2 LYS 20 -12.560 -4.561 4.201 113 2HD LYS 20 HD1 LYS 20 -12.693 -4.669 5.957 114 1HE LYS 20 HE2 LYS 20 -14.885 -5.438 5.881 115 2HE LYS 20 HE1 LYS 20 -15.200 -4.699 4.312 116 1HZ LYS 20 HZ1 LYS 20 -13.111 -6.575 4.076 117 2HZ LYS 20 HZ2 LYS 20 -14.631 -6.574 3.317 118 3HZ LYS 20 HZ3 LYS 20 -14.436 -7.317 4.831 119 H LEU 21 H LEU 21 -11.363 -0.721 2.150 120 HA LEU 21 HA LEU 21 -11.838 1.451 0.536 121 1HB LEU 21 HB2 LEU 21 -10.922 -1.330 -0.178 122 2HB LEU 21 HB1 LEU 21 -11.017 -0.055 -1.395 123 HG LEU 21 HG LEU 21 -9.716 0.872 1.045 124 1HD1 LEU 21 1HD1 LEU 21 -9.116 -1.654 0.901 125 2HD1 LEU 21 2HD1 LEU 21 -7.795 -0.496 1.059 126 3HD1 LEU 21 3HD1 LEU 21 -8.171 -1.195 -0.515 127 1HD2 LEU 21 1HD2 LEU 21 -8.042 0.802 -1.293 128 2HD2 LEU 21 2HD2 LEU 21 -8.807 2.197 -0.530 129 3HD2 LEU 21 3HD2 LEU 21 -9.671 1.282 -1.765 130 H ARG 22 H ARG 22 -13.521 2.143 -0.676 131 HA ARG 22 HA ARG 22 -15.817 0.358 -1.095 132 1HB ARG 22 HB2 ARG 22 -15.706 2.988 -0.551 133 2HB ARG 22 HB1 ARG 22 -15.764 3.075 -2.310 134 1HG ARG 22 HG2 ARG 22 -17.663 1.123 -1.304 135 2HG ARG 22 HG1 ARG 22 -17.946 2.713 -0.595 136 1HD ARG 22 HD2 ARG 22 -17.545 3.467 -3.142 137 2HD ARG 22 HD1 ARG 22 -18.160 1.840 -3.434 138 HE ARG 22 HE ARG 22 -19.881 3.104 -1.557 139 1HH1 ARG 22 1HH1 ARG 22 -19.492 2.329 -4.802 140 2HH1 ARG 22 2HH1 ARG 22 -20.692 3.429 -5.391 141 1HH2 ARG 22 1HH2 ARG 22 -21.176 4.963 -2.320 142 2HH2 ARG 22 2HH2 ARG 22 -21.648 4.919 -3.985 143 HA PRO 23 HA PRO 23 -14.629 1.186 -5.640 144 1HB PRO 23 HB2 PRO 23 -12.245 2.462 -6.128 145 2HB PRO 23 HB1 PRO 23 -13.786 3.312 -5.917 146 1HG PRO 23 HG2 PRO 23 -11.485 3.115 -4.042 147 2HG PRO 23 HG1 PRO 23 -12.746 4.354 -4.143 148 1HD PRO 23 HD2 PRO 23 -12.612 2.220 -2.266 149 2HD PRO 23 HD1 PRO 23 -13.979 3.325 -2.516 150 H GLY 24 H GLY 24 -12.220 0.785 -7.029 151 1HA GLY 24 HA2 GLY 24 -11.484 -1.903 -6.061 152 2HA GLY 24 HA1 GLY 24 -11.058 -1.214 -7.628 153 H ALA 25 H ALA 25 -10.531 0.819 -4.898 154 HA ALA 25 HA ALA 25 -7.706 0.984 -5.413 155 1HB ALA 25 HB1 ALA 25 -7.920 2.034 -2.925 156 2HB ALA 25 HB2 ALA 25 -9.608 2.112 -3.430 157 3HB ALA 25 HB3 ALA 25 -8.365 2.921 -4.383 158 H GLN 26 H GLN 26 -5.980 0.024 -4.320 159 HA GLN 26 HA GLN 26 -6.623 -2.437 -2.847 160 1HB GLN 26 HB2 GLN 26 -4.438 -1.475 -4.430 161 2HB GLN 26 HB1 GLN 26 -3.821 -1.896 -2.831 162 1HG GLN 26 HG2 GLN 26 -3.767 -4.013 -3.672 163 2HG GLN 26 HG1 GLN 26 -5.492 -4.001 -3.306 164 1HE2 GLN 26 1HE2 GLN 26 -3.537 -2.517 -5.961 165 2HE2 GLN 26 2HE2 GLN 26 -4.486 -3.161 -7.212 166 H CYS 27 H CYS 27 -6.258 0.774 -2.010 167 HA CYS 27 HA CYS 27 -6.025 0.112 0.822 168 1HB CYS 27 HB2 CYS 27 -4.007 1.561 1.171 169 2HB CYS 27 HB1 CYS 27 -3.663 0.084 0.269 170 H GLY 28 H GLY 28 -6.969 1.733 2.052 171 1HA GLY 28 HA2 GLY 28 -8.055 4.044 0.548 172 2HA GLY 28 HA1 GLY 28 -8.636 3.479 2.110 173 H GLU 29 H GLU 29 -5.677 3.241 2.913 174 HA GLU 29 HA GLU 29 -4.664 5.951 2.888 175 1HB GLU 29 HB2 GLU 29 -5.018 6.417 5.283 176 2HB GLU 29 HB1 GLU 29 -6.550 6.256 4.431 177 1HG GLU 29 HG2 GLU 29 -7.129 4.381 5.568 178 2HG GLU 29 HG1 GLU 29 -5.495 3.719 5.489 179 H GLY 30 H GLY 30 -3.022 6.003 5.019 180 1HA GLY 30 HA2 GLY 30 -1.601 4.313 6.313 181 2HA GLY 30 HA1 GLY 30 -1.469 3.456 4.775 182 H LEU 31 H LEU 31 0.892 3.778 4.857 183 HA LEU 31 HA LEU 31 1.633 6.587 4.197 184 1HB LEU 31 HB2 LEU 31 4.012 5.742 4.925 185 2HB LEU 31 HB1 LEU 31 2.853 6.310 6.122 186 HG LEU 31 HG LEU 31 2.105 3.798 6.187 187 1HD1 LEU 31 1HD1 LEU 31 3.706 3.425 4.185 188 2HD1 LEU 31 2HD1 LEU 31 3.706 2.226 5.473 189 3HD1 LEU 31 3HD1 LEU 31 4.979 3.444 5.386 190 1HD2 LEU 31 1HD2 LEU 31 4.822 4.210 7.362 191 2HD2 LEU 31 2HD2 LEU 31 3.354 3.607 8.124 192 3HD2 LEU 31 3HD2 LEU 31 3.551 5.333 7.837 193 H CYS 32 H CYS 32 1.865 3.211 3.263 194 HA CYS 32 HA CYS 32 3.604 3.964 0.968 195 1HB CYS 32 HB2 CYS 32 2.575 1.245 0.838 196 2HB CYS 32 HB1 CYS 32 4.244 1.797 0.873 197 H CYS 33 H CYS 33 0.384 4.043 1.739 198 HA CYS 33 HA CYS 33 -0.671 3.091 -0.821 199 1HB CYS 33 HB2 CYS 33 -1.992 2.855 1.250 200 2HB CYS 33 HB1 CYS 33 -2.023 4.607 1.430 201 H GLU 34 H GLU 34 0.019 4.384 -2.505 202 HA GLU 34 HA GLU 34 -0.463 7.323 -2.237 203 1HB GLU 34 HB2 GLU 34 1.135 6.090 -4.470 204 2HB GLU 34 HB1 GLU 34 1.261 7.707 -3.777 205 1HG GLU 34 HG2 GLU 34 1.934 5.205 -2.214 206 2HG GLU 34 HG1 GLU 34 3.134 6.103 -3.145 207 H GLN 35 H GLN 35 -2.306 7.982 -3.234 208 HA GLN 35 HA GLN 35 -3.968 8.156 -4.898 209 1HB GLN 35 HB2 GLN 35 -1.767 7.428 -6.329 210 2HB GLN 35 HB1 GLN 35 -2.814 6.039 -6.620 211 1HG GLN 35 HG2 GLN 35 -3.431 7.514 -8.340 212 2HG GLN 35 HG1 GLN 35 -4.651 7.826 -7.105 213 1HE2 GLN 35 1HE2 GLN 35 -3.072 9.567 -9.255 214 2HE2 GLN 35 2HE2 GLN 35 -2.675 10.955 -8.363 215 H CYS 36 H CYS 36 -3.884 6.135 -2.700 216 HA CYS 36 HA CYS 36 -5.280 4.408 -1.949 217 1HB CYS 36 HB2 CYS 36 -6.674 4.805 -4.611 218 2HB CYS 36 HB1 CYS 36 -7.320 3.942 -3.215 219 H LYS 37 H LYS 37 -2.841 3.923 -3.591 220 HA LYS 37 HA LYS 37 -3.513 1.128 -4.379 221 1HB LYS 37 HB2 LYS 37 -3.120 2.946 -6.305 222 2HB LYS 37 HB1 LYS 37 -1.432 2.570 -5.960 223 1HG LYS 37 HG2 LYS 37 -2.015 0.124 -6.200 224 2HG LYS 37 HG1 LYS 37 -3.609 0.623 -6.764 225 1HD LYS 37 HD2 LYS 37 -1.954 2.170 -8.320 226 2HD LYS 37 HD1 LYS 37 -1.019 0.681 -8.166 227 1HE LYS 37 HE2 LYS 37 -3.254 -0.520 -8.731 228 2HE LYS 37 HE1 LYS 37 -3.777 1.058 -9.320 229 1HZ LYS 37 HZ1 LYS 37 -1.201 0.564 -10.294 230 2HZ LYS 37 HZ2 LYS 37 -2.649 0.703 -11.171 231 3HZ LYS 37 HZ3 LYS 37 -2.140 -0.815 -10.602 232 H PHE 38 H PHE 38 -2.097 -0.332 -3.524 233 HA PHE 38 HA PHE 38 -0.220 0.338 -1.545 234 1HB PHE 38 HB2 PHE 38 -0.427 -2.073 -3.354 235 2HB PHE 38 HB1 PHE 38 0.791 -1.956 -2.088 236 HD1 PHE 38 HD2 PHE 38 -0.500 -0.711 0.143 237 HD2 PHE 38 HD1 PHE 38 -2.132 -3.513 -2.674 238 HE1 PHE 38 HE2 PHE 38 -2.167 -1.438 1.831 239 HE2 PHE 38 HE1 PHE 38 -3.797 -4.241 -0.985 240 HZ PHE 38 HZ PHE 38 -3.814 -3.203 1.266 241 H SER 39 H SER 39 1.678 1.428 -1.725 242 HA SER 39 HA SER 39 2.895 2.057 -4.242 243 1HB SER 39 HB2 SER 39 3.647 2.341 -1.368 244 2HB SER 39 HB1 SER 39 4.951 2.427 -2.547 245 HG SER 39 HG SER 39 3.404 3.942 -3.665 246 H ARG 40 H ARG 40 5.561 1.452 -4.105 247 HA ARG 40 HA ARG 40 5.503 -1.515 -4.355 248 1HB ARG 40 HB2 ARG 40 7.800 0.182 -5.284 249 2HB ARG 40 HB1 ARG 40 7.192 -1.333 -5.953 250 1HG ARG 40 HG2 ARG 40 5.166 -0.168 -6.752 251 2HG ARG 40 HG1 ARG 40 5.778 1.347 -6.087 252 1HD ARG 40 HD2 ARG 40 6.920 1.700 -7.990 253 2HD ARG 40 HD1 ARG 40 7.855 0.238 -7.679 254 HE ARG 40 HE ARG 40 5.219 -0.178 -8.928 255 1HH1 ARG 40 1HH2 ARG 40 7.771 1.335 -10.254 256 2HH1 ARG 40 2HH2 ARG 40 8.233 0.081 -11.356 257 1HH2 ARG 40 1HH1 ARG 40 6.175 -2.308 -9.915 258 2HH2 ARG 40 2HH1 ARG 40 7.332 -1.982 -11.162 259 H ALA 41 H ALA 41 7.082 -2.783 -3.266 260 HA ALA 41 HA ALA 41 7.851 -2.014 -0.680 261 1HB ALA 41 HB1 ALA 41 8.118 -4.302 -2.189 262 2HB ALA 41 HB2 ALA 41 8.802 -4.076 -0.580 263 3HB ALA 41 HB3 ALA 41 9.795 -3.786 -2.008 264 H GLY 42 H GLY 42 10.338 -1.906 -0.034 265 1HA GLY 42 HA2 GLY 42 12.351 -0.679 -0.183 266 2HA GLY 42 HA1 GLY 42 12.070 -0.553 -1.916 267 H LYS 43 H LYS 43 9.532 0.402 0.270 268 HA LYS 43 HA LYS 43 10.016 3.233 -0.585 269 1HB LYS 43 HB2 LYS 43 7.863 2.655 -1.304 270 2HB LYS 43 HB1 LYS 43 7.543 1.673 0.120 271 1HG LYS 43 HG2 LYS 43 6.290 3.837 0.129 272 2HG LYS 43 HG1 LYS 43 7.371 3.666 1.513 273 1HD LYS 43 HD2 LYS 43 8.031 5.765 0.866 274 2HD LYS 43 HD1 LYS 43 9.067 4.845 -0.225 275 1HE LYS 43 HE2 LYS 43 6.311 5.909 -0.908 276 2HE LYS 43 HE1 LYS 43 7.838 6.615 -1.440 277 1HZ LYS 43 HZ1 LYS 43 6.583 4.081 -2.239 278 2HZ LYS 43 HZ2 LYS 43 8.274 4.220 -2.295 279 3HZ LYS 43 HZ3 LYS 43 7.302 5.276 -3.203 280 H ILE 44 H ILE 44 11.071 4.363 0.950 281 HA ILE 44 HA ILE 44 11.382 3.649 3.649 282 HB ILE 44 HB ILE 44 12.845 5.296 2.697 283 1HG1 ILE 44 2HG1 ILE 44 12.558 7.192 4.333 284 2HG1 ILE 44 1HG1 ILE 44 11.000 6.498 4.784 285 1HG2 ILE 44 1HG2 ILE 44 10.273 6.502 1.882 286 2HG2 ILE 44 2HG2 ILE 44 11.845 6.555 1.083 287 3HG2 ILE 44 3HG2 ILE 44 11.494 7.657 2.414 288 1HD1 ILE 44 1HD1 ILE 44 13.209 5.873 6.124 289 2HD1 ILE 44 2HD1 ILE 44 13.398 4.711 4.811 290 3HD1 ILE 44 3HD1 ILE 44 11.957 4.666 5.826 291 H CYS 45 H CYS 45 9.963 3.616 5.322 292 HA CYS 45 HA CYS 45 7.541 5.389 5.090 293 1HB CYS 45 HB2 CYS 45 6.423 3.747 6.582 294 2HB CYS 45 HB1 CYS 45 6.843 3.092 5.005 295 H ARG 46 H ARG 46 10.400 4.983 6.812 296 HA ARG 46 HA ARG 46 9.357 6.760 8.939 297 1HB ARG 46 HB2 ARG 46 9.716 4.001 9.389 298 2HB ARG 46 HB1 ARG 46 11.095 4.794 10.152 299 1HG ARG 46 HG2 ARG 46 9.769 5.970 11.642 300 2HG ARG 46 HG1 ARG 46 8.378 5.980 10.557 301 1HD ARG 46 HD2 ARG 46 9.081 3.261 11.258 302 2HD ARG 46 HD1 ARG 46 8.829 4.224 12.714 303 HE ARG 46 HE ARG 46 6.770 4.341 10.572 304 1HH1 ARG 46 1HH2 ARG 46 7.424 2.061 12.818 305 2HH1 ARG 46 2HH2 ARG 46 6.024 2.315 13.805 306 1HH2 ARG 46 1HH1 ARG 46 5.122 5.269 12.229 307 2HH2 ARG 46 2HH1 ARG 46 4.720 4.130 13.470 308 H ILE 47 H ILE 47 11.726 6.582 10.554 309 HA ILE 47 HA ILE 47 13.391 8.479 9.334 310 HB ILE 47 HB ILE 47 13.393 7.814 11.776 311 1HG1 ILE 47 2HG1 ILE 47 15.970 8.000 11.936 312 2HG1 ILE 47 1HG1 ILE 47 15.943 8.073 10.173 313 1HG2 ILE 47 1HG2 ILE 47 13.679 5.315 11.040 314 2HG2 ILE 47 2HG2 ILE 47 14.499 5.878 12.496 315 3HG2 ILE 47 3HG2 ILE 47 15.398 5.714 10.986 316 1HD1 ILE 47 1HD1 ILE 47 14.202 9.947 10.446 317 2HD1 ILE 47 2HD1 ILE 47 15.869 10.341 10.866 318 3HD1 ILE 47 3HD1 ILE 47 14.696 9.997 12.138 319 HA PRO 48 HA PRO 48 15.497 5.888 6.378 320 1HB PRO 48 HB2 PRO 48 17.057 7.898 5.346 321 2HB PRO 48 HB1 PRO 48 15.351 7.669 4.920 322 1HG PRO 48 HG2 PRO 48 16.584 9.738 6.670 323 2HG PRO 48 HG1 PRO 48 15.068 9.800 5.755 324 1HD PRO 48 HD2 PRO 48 15.326 9.320 8.543 325 2HD PRO 48 HD1 PRO 48 13.854 9.121 7.573 326 H ARG 49 H ARG 49 17.828 8.401 7.273 327 HA ARG 49 HA ARG 49 19.655 6.252 8.250 328 1HB ARG 49 HB2 ARG 49 21.491 7.753 7.682 329 2HB ARG 49 HB1 ARG 49 20.426 7.595 6.285 330 1HG ARG 49 HG2 ARG 49 19.879 9.802 8.232 331 2HG ARG 49 HG1 ARG 49 21.236 9.986 7.120 332 1HD ARG 49 HD2 ARG 49 18.920 8.966 5.717 333 2HD ARG 49 HD1 ARG 49 18.518 10.461 6.562 334 HE ARG 49 HE ARG 49 20.580 11.429 5.374 335 1HH1 ARG 49 1HH2 ARG 49 17.996 10.578 3.740 336 2HH1 ARG 49 2HH2 ARG 49 18.766 10.026 2.290 337 1HH2 ARG 49 1HH1 ARG 49 21.935 9.927 3.690 338 2HH2 ARG 49 2HH1 ARG 49 20.995 9.660 2.261 339 H GLY 50 H GLY 50 21.466 8.098 9.520 340 1HA GLY 50 HA2 GLY 50 21.510 9.654 11.388 341 2HA GLY 50 HA1 GLY 50 19.813 9.278 11.696 342 H ASP 51 H ASP 51 19.625 8.167 13.575 343 HA ASP 51 HA ASP 51 21.820 6.309 14.357 344 1HB ASP 51 HB2 ASP 51 19.543 7.493 15.977 345 2HB ASP 51 HB1 ASP 51 20.783 6.412 16.616 346 H MET 52 H MET 52 19.201 6.042 12.553 347 HA MET 52 HA MET 52 18.611 3.300 13.542 348 1HB MET 52 HB2 MET 52 16.401 5.135 12.602 349 2HB MET 52 HB1 MET 52 16.254 3.605 13.464 350 1HG MET 52 HG2 MET 52 17.600 6.037 14.657 351 2HG MET 52 HG1 MET 52 15.889 5.675 14.888 352 1HE MET 52 HE1 MET 52 15.356 4.758 17.272 353 2HE MET 52 HE2 MET 52 15.586 3.013 17.319 354 3HE MET 52 HE3 MET 52 14.919 3.767 15.874 355 HA PRO 53 HA PRO 53 18.796 2.291 9.275 356 1HB PRO 53 HB2 PRO 53 17.038 0.177 9.180 357 2HB PRO 53 HB1 PRO 53 18.660 0.076 9.886 358 1HG PRO 53 HG2 PRO 53 16.017 0.201 11.263 359 2HG PRO 53 HG1 PRO 53 17.541 -0.510 11.820 360 1HD PRO 53 HD2 PRO 53 16.490 1.983 12.631 361 2HD PRO 53 HD1 PRO 53 18.153 1.418 12.900 362 H ASP 54 H ASP 54 17.666 2.552 7.281 363 HA ASP 54 HA ASP 54 15.420 4.354 7.335 364 1HB ASP 54 HB2 ASP 54 16.276 2.699 4.953 365 2HB ASP 54 HB1 ASP 54 15.533 4.298 4.955 366 H ASP 55 H ASP 55 13.327 3.763 7.728 367 HA ASP 55 HA ASP 55 12.454 1.019 7.778 368 1HB ASP 55 HB2 ASP 55 11.449 3.344 8.765 369 2HB ASP 55 HB1 ASP 55 10.411 3.128 7.357 370 H ARG 56 H ARG 56 10.667 0.179 6.255 371 HA ARG 56 HA ARG 56 10.573 1.442 3.598 372 1HB ARG 56 HB2 ARG 56 12.750 0.023 3.918 373 2HB ARG 56 HB1 ARG 56 11.657 -1.345 3.706 374 1HG ARG 56 HG2 ARG 56 11.785 -1.024 1.493 375 2HG ARG 56 HG1 ARG 56 10.948 0.511 1.722 376 1HD ARG 56 HD2 ARG 56 13.073 0.876 0.536 377 2HD ARG 56 HD1 ARG 56 13.119 1.630 2.129 378 HE ARG 56 HE ARG 56 14.194 -0.883 2.566 379 1HH1 ARG 56 1HH1 ARG 56 14.882 2.005 0.852 380 2HH1 ARG 56 2HH1 ARG 56 16.520 1.572 0.493 381 1HH2 ARG 56 1HH2 ARG 56 16.271 -1.589 1.900 382 2HH2 ARG 56 2HH2 ARG 56 17.307 -0.465 1.084 383 H CYS 57 H CYS 57 8.673 0.948 2.621 384 HA CYS 57 HA CYS 57 6.819 -0.877 3.950 385 1HB CYS 57 HB2 CYS 57 6.683 0.876 1.505 386 2HB CYS 57 HB1 CYS 57 5.429 -0.320 1.813 387 H THR 58 H THR 58 5.978 -2.801 3.015 388 HA THR 58 HA THR 58 7.917 -4.341 1.492 389 HB THR 58 HB THR 58 6.404 -6.191 1.801 390 HG1 THR 58 HG1 THR 58 4.566 -4.111 2.251 391 1HG2 THR 58 1HG2 THR 58 6.755 -6.308 4.031 392 2HG2 THR 58 2HG2 THR 58 5.742 -4.898 4.345 393 3HG2 THR 58 3HG2 THR 58 7.430 -4.686 3.884 394 H GLY 59 H GLY 59 5.503 -2.169 0.610 395 1HA GLY 59 HA2 GLY 59 5.046 -1.565 -1.671 396 2HA GLY 59 HA1 GLY 59 5.639 -3.148 -2.177 397 H GLN 60 H GLN 60 4.039 -4.570 -0.153 398 HA GLN 60 HA GLN 60 1.438 -4.432 -1.589 399 1HB GLN 60 HB2 GLN 60 1.063 -6.683 -0.852 400 2HB GLN 60 HB1 GLN 60 2.740 -6.617 -1.396 401 1HG GLN 60 HG2 GLN 60 3.455 -6.249 0.964 402 2HG GLN 60 HG1 GLN 60 1.776 -6.430 1.474 403 1HE2 GLN 60 1HE2 GLN 60 1.682 -8.471 2.455 404 2HE2 GLN 60 2HE2 GLN 60 2.264 -9.903 1.752 405 H SER 61 H SER 61 2.887 -3.531 1.367 406 HA SER 61 HA SER 61 0.271 -3.611 2.795 407 1HB SER 61 HB2 SER 61 1.940 -4.435 4.229 408 2HB SER 61 HB1 SER 61 3.132 -3.265 3.670 409 HG SER 61 HG SER 61 1.877 -2.995 5.807 410 H ALA 62 H ALA 62 -0.818 -1.730 3.328 411 HA ALA 62 HA ALA 62 -0.002 0.726 1.961 412 1HB ALA 62 HB1 ALA 62 -2.358 -0.072 3.664 413 2HB ALA 62 HB2 ALA 62 -2.341 0.430 1.974 414 3HB ALA 62 HB3 ALA 62 -2.082 1.619 3.251 415 H ASP 63 H ASP 63 -0.435 -0.302 5.349 416 HA ASP 63 HA ASP 63 0.751 2.203 6.329 417 1HB ASP 63 HB2 ASP 63 0.329 -0.213 8.062 418 2HB ASP 63 HB1 ASP 63 0.122 1.494 8.458 419 H CYS 64 H CYS 64 2.627 1.939 7.969 420 HA CYS 64 HA CYS 64 4.664 0.205 6.682 421 1HB CYS 64 HB2 CYS 64 5.341 2.472 6.785 422 2HB CYS 64 HB1 CYS 64 4.914 2.618 8.472 423 HA PRO 65 HA PRO 65 4.149 -2.337 10.308 424 1HB PRO 65 HB2 PRO 65 5.411 -4.474 9.150 425 2HB PRO 65 HB1 PRO 65 3.701 -4.113 8.907 426 1HG PRO 65 HG2 PRO 65 5.999 -3.767 7.047 427 2HG PRO 65 HG1 PRO 65 4.279 -3.979 6.678 428 1HD PRO 65 HD2 PRO 65 5.704 -1.538 6.620 429 2HD PRO 65 HD1 PRO 65 3.938 -1.723 6.572 430 H ARG 66 H ARG 66 6.177 -4.175 10.928 431 HA ARG 66 HA ARG 66 8.337 -2.346 11.740 432 1HB ARG 66 HB2 ARG 66 7.817 -5.273 12.341 433 2HB ARG 66 HB1 ARG 66 9.158 -4.346 13.012 434 1HG ARG 66 HG2 ARG 66 7.766 -3.020 14.325 435 2HG ARG 66 HG1 ARG 66 6.369 -3.275 13.279 436 1HD ARG 66 HD2 ARG 66 5.687 -4.976 14.578 437 2HD ARG 66 HD1 ARG 66 7.208 -5.819 14.289 438 HE ARG 66 HE ARG 66 7.830 -3.926 16.228 439 1HH1 ARG 66 1HH2 ARG 66 7.228 -7.094 16.236 440 2HH1 ARG 66 2HH2 ARG 66 6.373 -7.175 17.740 441 1HH2 ARG 66 1HH1 ARG 66 5.993 -3.739 18.014 442 2HH2 ARG 66 2HH1 ARG 66 5.678 -5.274 18.750 443 H TYR 67 H TYR 67 10.467 -2.474 11.003 444 HA TYR 67 HA TYR 67 10.887 -3.635 8.391 445 1HB TYR 67 HB2 TYR 67 12.077 -1.604 9.095 446 2HB TYR 67 HB1 TYR 67 12.878 -2.505 10.382 447 HD1 TYR 67 HD2 TYR 67 12.167 -3.299 6.784 448 HD2 TYR 67 HD1 TYR 67 15.135 -2.791 9.850 449 HE1 TYR 67 HE2 TYR 67 13.934 -4.003 5.193 450 HE2 TYR 67 HE1 TYR 67 16.900 -3.497 8.257 451 HH TYR 67 HH TYR 67 17.352 -3.847 6.054 452 H HIS 68 H HIS 68 12.582 -4.314 11.478 453 HA HIS 68 HA HIS 68 12.615 -7.190 10.696 454 1HB HIS 68 HB2 HIS 68 14.956 -7.390 11.320 455 2HB HIS 68 HB1 HIS 68 14.807 -6.111 10.114 456 HD1 HIS 68 HD1 HIS 68 14.345 -3.613 11.369 457 HD2 HIS 68 HD2 HIS 68 16.435 -6.537 13.481 458 HE1 HIS 68 HE1 HIS 68 15.607 -2.407 13.204 Start of MODEL 19 1 1H GLY 1 HT1 GLY 1 -9.293 -6.618 11.096 2 2H GLY 1 HT2 GLY 1 -8.170 -7.161 12.248 3 3H GLY 1 HT3 GLY 1 -8.031 -5.599 11.594 4 1HA GLY 1 HA1 GLY 1 -9.175 -6.130 13.947 5 2HA GLY 1 HA2 GLY 1 -9.560 -4.722 12.957 6 H LYS 2 H LYS 2 -11.434 -4.863 11.535 7 HA LYS 2 HA LYS 2 -13.288 -7.118 12.146 8 1HB LYS 2 HB2 LYS 2 -13.575 -4.343 12.947 9 2HB LYS 2 HB1 LYS 2 -14.901 -4.832 11.892 10 1HG LYS 2 HG2 LYS 2 -15.491 -6.657 13.321 11 2HG LYS 2 HG1 LYS 2 -14.002 -6.495 14.254 12 1HD LYS 2 HD2 LYS 2 -15.269 -3.964 14.332 13 2HD LYS 2 HD1 LYS 2 -16.524 -5.161 14.650 14 1HE LYS 2 HE2 LYS 2 -15.660 -5.685 16.675 15 2HE LYS 2 HE1 LYS 2 -14.014 -5.744 16.045 16 1HZ LYS 2 HZ1 LYS 2 -14.176 -3.962 17.605 17 2HZ LYS 2 HZ2 LYS 2 -15.539 -3.318 16.820 18 3HZ LYS 2 HZ3 LYS 2 -14.021 -3.287 16.057 19 H GLU 3 H GLU 3 -13.812 -4.091 10.363 20 HA GLU 3 HA GLU 3 -13.575 -5.479 7.774 21 1HB GLU 3 HB2 GLU 3 -15.920 -4.754 7.135 22 2HB GLU 3 HB1 GLU 3 -15.849 -6.069 8.309 23 1HG GLU 3 HG2 GLU 3 -15.858 -4.029 10.035 24 2HG GLU 3 HG1 GLU 3 -16.682 -3.228 8.695 25 H CYS 4 H CYS 4 -12.311 -3.183 9.162 26 HA CYS 4 HA CYS 4 -13.188 -0.999 7.332 27 1HB CYS 4 HB2 CYS 4 -13.197 -0.570 9.850 28 2HB CYS 4 HB1 CYS 4 -11.441 -0.679 9.780 29 H ASP 5 H ASP 5 -11.667 -0.065 5.957 30 HA ASP 5 HA ASP 5 -9.023 -1.457 5.855 31 1HB ASP 5 HB2 ASP 5 -10.644 -1.617 3.867 32 2HB ASP 5 HB1 ASP 5 -10.304 0.092 3.596 33 H CYS 6 H CYS 6 -10.642 1.606 6.143 34 HA CYS 6 HA CYS 6 -7.977 2.969 6.102 35 1HB CYS 6 HB2 CYS 6 -9.118 5.011 5.475 36 2HB CYS 6 HB1 CYS 6 -9.649 3.742 4.373 37 H SER 7 H SER 7 -8.006 4.957 7.646 38 HA SER 7 HA SER 7 -9.305 4.064 10.184 39 1HB SER 7 HB2 SER 7 -7.084 6.093 10.052 40 2HB SER 7 HB1 SER 7 -7.511 5.005 11.368 41 HG SER 7 HG SER 7 -6.578 3.347 10.312 42 H SER 8 H SER 8 -10.114 5.981 7.786 43 HA SER 8 HA SER 8 -11.240 8.061 9.602 44 1HB SER 8 HB2 SER 8 -9.877 8.457 6.935 45 2HB SER 8 HB1 SER 8 -10.995 9.649 7.594 46 HG SER 8 HG SER 8 -9.281 10.318 8.618 47 HA PRO 9 HA PRO 9 -14.939 6.717 7.567 48 1HB PRO 9 HB2 PRO 9 -16.603 8.589 8.699 49 2HB PRO 9 HB1 PRO 9 -16.020 7.152 9.556 50 1HG PRO 9 HG2 PRO 9 -15.172 9.994 9.864 51 2HG PRO 9 HG1 PRO 9 -15.111 8.671 11.040 52 1HD PRO 9 HD2 PRO 9 -12.923 9.664 9.540 53 2HD PRO 9 HD1 PRO 9 -12.953 8.155 10.477 54 H GLU 10 H GLU 10 -14.100 10.182 7.639 55 HA GLU 10 HA GLU 10 -15.842 10.945 5.482 56 1HB GLU 10 HB2 GLU 10 -13.265 12.251 6.413 57 2HB GLU 10 HB1 GLU 10 -14.503 13.005 5.406 58 1HG GLU 10 HG2 GLU 10 -15.585 11.828 7.864 59 2HG GLU 10 HG1 GLU 10 -14.413 13.112 8.168 60 H ASN 11 H ASN 11 -12.587 9.614 5.600 61 HA ASN 11 HA ASN 11 -11.645 10.250 3.040 62 1HB ASN 11 HB2 ASN 11 -10.284 9.016 4.653 63 2HB ASN 11 HB1 ASN 11 -11.366 7.628 4.537 64 1HD2 ASN 11 1HD2 ASN 11 -9.412 6.388 3.768 65 2HD2 ASN 11 2HD2 ASN 11 -8.934 6.526 2.145 66 HA PRO 12 HA PRO 12 -14.844 8.228 0.660 67 1HB PRO 12 HB2 PRO 12 -13.971 9.172 -1.769 68 2HB PRO 12 HB1 PRO 12 -14.935 10.132 -0.633 69 1HG PRO 12 HG2 PRO 12 -12.030 10.338 -1.266 70 2HG PRO 12 HG1 PRO 12 -13.138 11.581 -0.662 71 1HD PRO 12 HD2 PRO 12 -11.248 10.143 0.883 72 2HD PRO 12 HD1 PRO 12 -12.565 11.154 1.514 73 H CYS 13 H CYS 13 -11.449 7.698 0.564 74 HA CYS 13 HA CYS 13 -11.441 5.789 -1.626 75 1HB CYS 13 HB2 CYS 13 -9.460 7.146 -0.423 76 2HB CYS 13 HB1 CYS 13 -9.352 5.646 0.501 77 H CYS 14 H CYS 14 -12.892 5.624 1.328 78 HA CYS 14 HA CYS 14 -12.832 2.666 1.241 79 1HB CYS 14 HB2 CYS 14 -12.480 2.512 3.682 80 2HB CYS 14 HB1 CYS 14 -11.101 3.263 2.881 81 H ASP 15 H ASP 15 -14.908 2.078 1.110 82 HA ASP 15 HA ASP 15 -17.163 3.684 1.516 83 1HB ASP 15 HB2 ASP 15 -16.821 1.168 0.636 84 2HB ASP 15 HB1 ASP 15 -17.389 0.807 2.265 85 H ALA 16 H ALA 16 -18.178 4.444 3.316 86 HA ALA 16 HA ALA 16 -17.049 3.862 5.948 87 1HB ALA 16 HB1 ALA 16 -17.962 6.124 5.180 88 2HB ALA 16 HB2 ALA 16 -18.514 5.571 6.761 89 3HB ALA 16 HB3 ALA 16 -19.571 5.427 5.359 90 H ALA 17 H ALA 17 -19.972 3.008 4.144 91 HA ALA 17 HA ALA 17 -21.565 1.936 6.186 92 1HB ALA 17 HB1 ALA 17 -21.634 1.891 3.423 93 2HB ALA 17 HB2 ALA 17 -22.783 1.065 4.476 94 3HB ALA 17 HB3 ALA 17 -21.398 0.190 3.824 95 H THR 18 H THR 18 -18.789 0.478 4.527 96 HA THR 18 HA THR 18 -18.831 -1.720 6.552 97 HB THR 18 HB THR 18 -17.865 -3.144 4.976 98 HG1 THR 18 HG1 THR 18 -17.123 -0.949 3.365 99 1HG2 THR 18 1HG2 THR 18 -19.262 -1.214 3.117 100 2HG2 THR 18 2HG2 THR 18 -20.140 -2.246 4.246 101 3HG2 THR 18 3HG2 THR 18 -19.156 -2.969 2.975 102 H CYS 19 H CYS 19 -17.175 1.067 5.444 103 HA CYS 19 HA CYS 19 -15.320 2.158 6.419 104 1HB CYS 19 HB2 CYS 19 -16.132 0.689 8.473 105 2HB CYS 19 HB1 CYS 19 -14.687 -0.244 8.096 106 H LYS 20 H LYS 20 -15.365 -0.259 4.360 107 HA LYS 20 HA LYS 20 -12.422 -0.779 4.418 108 1HB LYS 20 HB2 LYS 20 -14.766 -2.267 3.270 109 2HB LYS 20 HB1 LYS 20 -13.159 -2.509 2.584 110 1HG LYS 20 HG2 LYS 20 -13.004 -2.560 5.467 111 2HG LYS 20 HG1 LYS 20 -14.220 -3.713 4.916 112 1HD LYS 20 HD2 LYS 20 -12.543 -4.619 3.286 113 2HD LYS 20 HD1 LYS 20 -11.334 -3.550 4.000 114 1HE LYS 20 HE2 LYS 20 -11.189 -4.778 5.937 115 2HE LYS 20 HE1 LYS 20 -12.884 -5.263 5.879 116 1HZ LYS 20 HZ1 LYS 20 -12.414 -7.070 4.669 117 2HZ LYS 20 HZ2 LYS 20 -10.831 -6.865 5.251 118 3HZ LYS 20 HZ3 LYS 20 -11.257 -6.276 3.716 119 H LEU 21 H LEU 21 -11.818 -1.291 1.845 120 HA LEU 21 HA LEU 21 -11.736 1.327 0.652 121 1HB LEU 21 HB2 LEU 21 -10.824 -1.409 -0.096 122 2HB LEU 21 HB1 LEU 21 -11.000 -0.237 -1.402 123 HG LEU 21 HG LEU 21 -9.668 0.808 1.017 124 1HD1 LEU 21 1HD1 LEU 21 -8.909 -1.720 0.418 125 2HD1 LEU 21 2HD1 LEU 21 -7.790 -0.500 1.023 126 3HD1 LEU 21 3HD1 LEU 21 -7.886 -0.828 -0.708 127 1HD2 LEU 21 1HD2 LEU 21 -8.222 0.972 -1.490 128 2HD2 LEU 21 2HD2 LEU 21 -8.933 2.272 -0.533 129 3HD2 LEU 21 3HD2 LEU 21 -9.913 1.418 -1.725 130 H ARG 22 H ARG 22 -13.287 2.288 -0.577 131 HA ARG 22 HA ARG 22 -15.657 0.749 -1.354 132 1HB ARG 22 HB2 ARG 22 -15.185 3.417 -0.719 133 2HB ARG 22 HB1 ARG 22 -15.488 3.446 -2.456 134 1HG ARG 22 HG2 ARG 22 -17.380 1.658 -1.336 135 2HG ARG 22 HG1 ARG 22 -17.377 3.099 -0.317 136 1HD ARG 22 HD2 ARG 22 -17.700 4.524 -2.284 137 2HD ARG 22 HD1 ARG 22 -17.629 3.113 -3.340 138 HE ARG 22 HE ARG 22 -19.738 2.335 -2.172 139 1HH1 ARG 22 1HH1 ARG 22 -19.079 5.520 -3.085 140 2HH1 ARG 22 2HH1 ARG 22 -20.509 6.195 -2.377 141 1HH2 ARG 22 1HH2 ARG 22 -21.451 3.245 -0.817 142 2HH2 ARG 22 2HH2 ARG 22 -21.853 4.907 -1.095 143 HA PRO 23 HA PRO 23 -14.093 1.816 -5.725 144 1HB PRO 23 HB2 PRO 23 -11.671 3.092 -5.956 145 2HB PRO 23 HB1 PRO 23 -13.214 3.946 -5.794 146 1HG PRO 23 HG2 PRO 23 -11.058 3.576 -3.774 147 2HG PRO 23 HG1 PRO 23 -12.276 4.856 -3.893 148 1HD PRO 23 HD2 PRO 23 -12.348 2.627 -2.134 149 2HD PRO 23 HD1 PRO 23 -13.677 3.760 -2.454 150 H GLY 24 H GLY 24 -11.686 1.401 -7.014 151 1HA GLY 24 HA2 GLY 24 -10.945 -1.292 -6.038 152 2HA GLY 24 HA1 GLY 24 -10.536 -0.616 -7.615 153 H ALA 25 H ALA 25 -10.061 1.244 -4.702 154 HA ALA 25 HA ALA 25 -7.229 1.549 -5.285 155 1HB ALA 25 HB1 ALA 25 -7.490 2.616 -2.809 156 2HB ALA 25 HB2 ALA 25 -9.177 2.644 -3.323 157 3HB ALA 25 HB3 ALA 25 -7.950 3.480 -4.277 158 H GLN 26 H GLN 26 -5.479 0.775 -4.003 159 HA GLN 26 HA GLN 26 -5.961 -1.823 -2.755 160 1HB GLN 26 HB2 GLN 26 -3.678 -0.307 -3.740 161 2HB GLN 26 HB1 GLN 26 -3.335 -1.047 -2.176 162 1HG GLN 26 HG2 GLN 26 -2.751 -2.666 -3.852 163 2HG GLN 26 HG1 GLN 26 -4.261 -3.211 -3.121 164 1HE2 GLN 26 1HE2 GLN 26 -4.082 -4.322 -5.498 165 2HE2 GLN 26 2HE2 GLN 26 -4.933 -3.490 -6.707 166 H CYS 27 H CYS 27 -5.016 1.421 -1.675 167 HA CYS 27 HA CYS 27 -5.814 0.626 1.079 168 1HB CYS 27 HB2 CYS 27 -3.525 0.513 1.410 169 2HB CYS 27 HB1 CYS 27 -3.168 1.704 0.170 170 H GLY 28 H GLY 28 -7.298 2.048 1.824 171 1HA GLY 28 HA2 GLY 28 -7.858 4.493 0.328 172 2HA GLY 28 HA1 GLY 28 -8.738 3.924 1.745 173 H GLU 29 H GLU 29 -5.923 3.636 3.044 174 HA GLU 29 HA GLU 29 -5.011 6.387 3.308 175 1HB GLU 29 HB2 GLU 29 -7.158 6.313 4.646 176 2HB GLU 29 HB1 GLU 29 -6.369 5.156 5.715 177 1HG GLU 29 HG2 GLU 29 -4.711 6.742 6.369 178 2HG GLU 29 HG1 GLU 29 -5.159 7.848 5.071 179 H GLY 30 H GLY 30 -2.967 6.439 4.181 180 1HA GLY 30 HA2 GLY 30 -1.736 4.870 6.078 181 2HA GLY 30 HA1 GLY 30 -1.608 3.888 4.617 182 H LEU 31 H LEU 31 0.828 4.498 5.295 183 HA LEU 31 HA LEU 31 1.510 7.136 4.107 184 1HB LEU 31 HB2 LEU 31 3.896 6.311 4.973 185 2HB LEU 31 HB1 LEU 31 2.748 7.105 6.045 186 HG LEU 31 HG LEU 31 1.892 4.815 6.677 187 1HD1 LEU 31 1HD1 LEU 31 3.784 4.114 4.584 188 2HD1 LEU 31 2HD1 LEU 31 2.568 3.104 5.362 189 3HD1 LEU 31 3HD1 LEU 31 4.160 3.272 6.075 190 1HD2 LEU 31 1HD2 LEU 31 4.826 5.387 7.189 191 2HD2 LEU 31 2HD2 LEU 31 3.785 4.376 8.189 192 3HD2 LEU 31 3HD2 LEU 31 3.480 6.107 8.071 193 H CYS 32 H CYS 32 1.913 3.684 3.743 194 HA CYS 32 HA CYS 32 3.682 3.998 1.403 195 1HB CYS 32 HB2 CYS 32 2.370 1.566 2.661 196 2HB CYS 32 HB1 CYS 32 3.470 1.503 1.284 197 H CYS 33 H CYS 33 0.649 4.808 1.734 198 HA CYS 33 HA CYS 33 -0.489 3.299 -0.543 199 1HB CYS 33 HB2 CYS 33 -1.806 5.505 1.050 200 2HB CYS 33 HB1 CYS 33 -2.591 4.256 0.089 201 H GLU 34 H GLU 34 0.466 4.114 -2.407 202 HA GLU 34 HA GLU 34 0.620 7.048 -2.773 203 1HB GLU 34 HB2 GLU 34 1.577 4.703 -4.440 204 2HB GLU 34 HB1 GLU 34 1.699 6.380 -4.974 205 1HG GLU 34 HG2 GLU 34 2.786 6.633 -2.520 206 2HG GLU 34 HG1 GLU 34 3.216 4.954 -2.849 207 H GLN 35 H GLN 35 -1.255 7.982 -3.472 208 HA GLN 35 HA GLN 35 -3.220 8.303 -4.720 209 1HB GLN 35 HB2 GLN 35 -1.613 7.822 -6.621 210 2HB GLN 35 HB1 GLN 35 -2.112 6.133 -6.527 211 1HG GLN 35 HG2 GLN 35 -4.426 6.748 -6.997 212 2HG GLN 35 HG1 GLN 35 -4.003 8.461 -6.980 213 1HE2 GLN 35 1HE2 GLN 35 -4.619 8.739 -9.247 214 2HE2 GLN 35 2HE2 GLN 35 -3.674 8.095 -10.502 215 H CYS 36 H CYS 36 -3.236 6.527 -2.515 216 HA CYS 36 HA CYS 36 -4.645 4.936 -1.531 217 1HB CYS 36 HB2 CYS 36 -6.107 5.675 -4.028 218 2HB CYS 36 HB1 CYS 36 -6.595 4.207 -3.202 219 H LYS 37 H LYS 37 -2.364 4.291 -3.479 220 HA LYS 37 HA LYS 37 -3.175 1.459 -4.005 221 1HB LYS 37 HB2 LYS 37 -1.940 3.447 -5.726 222 2HB LYS 37 HB1 LYS 37 -0.916 2.019 -5.572 223 1HG LYS 37 HG2 LYS 37 -2.253 1.010 -7.080 224 2HG LYS 37 HG1 LYS 37 -3.514 1.004 -5.847 225 1HD LYS 37 HD2 LYS 37 -3.212 3.596 -7.200 226 2HD LYS 37 HD1 LYS 37 -3.694 2.289 -8.282 227 1HE LYS 37 HE2 LYS 37 -5.408 1.700 -6.397 228 2HE LYS 37 HE1 LYS 37 -5.121 3.356 -5.858 229 1HZ LYS 37 HZ1 LYS 37 -5.456 3.463 -8.604 230 2HZ LYS 37 HZ2 LYS 37 -6.532 4.016 -7.411 231 3HZ LYS 37 HZ3 LYS 37 -6.683 2.442 -8.030 232 H PHE 38 H PHE 38 -1.771 -0.142 -3.256 233 HA PHE 38 HA PHE 38 -0.065 0.437 -1.063 234 1HB PHE 38 HB2 PHE 38 -0.242 -1.951 -2.912 235 2HB PHE 38 HB1 PHE 38 0.876 -1.899 -1.551 236 HD1 PHE 38 HD1 PHE 38 -0.741 -0.394 0.451 237 HD2 PHE 38 HD2 PHE 38 -1.855 -3.542 -2.252 238 HE1 PHE 38 HE1 PHE 38 -2.576 -1.061 1.980 239 HE2 PHE 38 HE2 PHE 38 -3.689 -4.208 -0.721 240 HZ PHE 38 HZ PHE 38 -4.049 -2.968 1.395 241 H SER 39 H SER 39 1.962 1.281 -1.019 242 HA SER 39 HA SER 39 3.360 1.932 -3.470 243 1HB SER 39 HB2 SER 39 3.508 3.225 -1.292 244 2HB SER 39 HB1 SER 39 4.501 1.912 -0.663 245 HG SER 39 HG SER 39 5.074 3.231 -3.102 246 H ARG 40 H ARG 40 5.448 1.075 -4.130 247 HA ARG 40 HA ARG 40 5.612 -1.790 -3.986 248 1HB ARG 40 HB2 ARG 40 7.295 0.405 -5.114 249 2HB ARG 40 HB1 ARG 40 8.056 -1.170 -4.881 250 1HG ARG 40 HG2 ARG 40 6.743 -2.196 -6.466 251 2HG ARG 40 HG1 ARG 40 5.360 -1.147 -6.152 252 1HD ARG 40 HD2 ARG 40 7.515 0.460 -7.153 253 2HD ARG 40 HD1 ARG 40 7.290 -0.916 -8.234 254 HE ARG 40 HE ARG 40 5.196 1.107 -7.587 255 1HH1 ARG 40 1HH2 ARG 40 5.496 -2.028 -8.739 256 2HH1 ARG 40 2HH2 ARG 40 4.680 -1.745 -10.239 257 1HH2 ARG 40 1HH1 ARG 40 4.535 1.693 -9.817 258 2HH2 ARG 40 2HH1 ARG 40 4.137 0.361 -10.852 259 H ALA 41 H ALA 41 7.268 -3.073 -2.948 260 HA ALA 41 HA ALA 41 7.808 -2.362 -0.243 261 1HB ALA 41 HB1 ALA 41 9.679 -4.258 -1.567 262 2HB ALA 41 HB2 ALA 41 7.968 -4.678 -1.640 263 3HB ALA 41 HB3 ALA 41 8.754 -4.448 -0.078 264 H GLY 42 H GLY 42 10.063 -2.155 0.690 265 1HA GLY 42 HA2 GLY 42 12.138 -1.048 0.779 266 2HA GLY 42 HA1 GLY 42 12.201 -1.160 -0.983 267 H LYS 43 H LYS 43 9.339 0.190 0.364 268 HA LYS 43 HA LYS 43 10.116 2.837 -0.743 269 1HB LYS 43 HB2 LYS 43 8.002 2.228 -1.550 270 2HB LYS 43 HB1 LYS 43 7.510 1.524 -0.014 271 1HG LYS 43 HG2 LYS 43 6.340 3.642 -0.350 272 2HG LYS 43 HG1 LYS 43 7.480 3.810 0.987 273 1HD LYS 43 HD2 LYS 43 8.890 5.190 -0.205 274 2HD LYS 43 HD1 LYS 43 8.461 4.467 -1.756 275 1HE LYS 43 HE2 LYS 43 6.411 5.661 -1.871 276 2HE LYS 43 HE1 LYS 43 6.482 6.102 -0.164 277 1HZ LYS 43 HZ1 LYS 43 7.138 7.849 -1.882 278 2HZ LYS 43 HZ2 LYS 43 8.579 6.968 -2.052 279 3HZ LYS 43 HZ3 LYS 43 8.161 7.636 -0.547 280 H ILE 44 H ILE 44 10.932 4.323 0.622 281 HA ILE 44 HA ILE 44 11.234 4.085 3.386 282 HB ILE 44 HB ILE 44 12.440 5.778 2.143 283 1HG1 ILE 44 2HG1 ILE 44 11.975 7.778 3.580 284 2HG1 ILE 44 1HG1 ILE 44 10.515 6.976 4.160 285 1HG2 ILE 44 1HG2 ILE 44 10.597 7.854 1.758 286 2HG2 ILE 44 2HG2 ILE 44 9.763 6.406 1.195 287 3HG2 ILE 44 3HG2 ILE 44 11.324 6.851 0.503 288 1HD1 ILE 44 1HD1 ILE 44 12.753 6.748 5.525 289 2HD1 ILE 44 2HD1 ILE 44 13.146 5.534 4.307 290 3HD1 ILE 44 3HD1 ILE 44 11.712 5.341 5.315 291 H CYS 45 H CYS 45 9.690 3.849 4.905 292 HA CYS 45 HA CYS 45 7.245 5.568 4.712 293 1HB CYS 45 HB2 CYS 45 5.924 3.708 5.601 294 2HB CYS 45 HB1 CYS 45 6.684 3.257 4.093 295 H ARG 46 H ARG 46 9.955 5.351 6.340 296 HA ARG 46 HA ARG 46 8.789 6.445 8.777 297 1HB ARG 46 HB2 ARG 46 8.607 4.031 9.254 298 2HB ARG 46 HB1 ARG 46 10.332 3.840 8.945 299 1HG ARG 46 HG2 ARG 46 10.926 4.800 10.937 300 2HG ARG 46 HG1 ARG 46 9.582 5.941 10.903 301 1HD ARG 46 HD2 ARG 46 8.984 3.027 11.261 302 2HD ARG 46 HD1 ARG 46 9.591 3.943 12.639 303 HE ARG 46 HE ARG 46 6.951 4.225 11.422 304 1HH1 ARG 46 1HH2 ARG 46 7.527 4.394 14.366 305 2HH1 ARG 46 2HH2 ARG 46 7.341 6.089 14.671 306 1HH2 ARG 46 1HH1 ARG 46 7.547 6.983 11.327 307 2HH2 ARG 46 2HH1 ARG 46 7.350 7.555 12.950 308 H ILE 47 H ILE 47 10.034 8.229 8.731 309 HA ILE 47 HA ILE 47 12.980 7.795 8.797 310 HB ILE 47 HB ILE 47 11.798 8.862 6.635 311 1HG1 ILE 47 2HG1 ILE 47 14.223 8.415 7.031 312 2HG1 ILE 47 1HG1 ILE 47 13.936 9.911 6.140 313 1HG2 ILE 47 1HG2 ILE 47 11.768 11.270 6.687 314 2HG2 ILE 47 2HG2 ILE 47 12.427 11.299 8.322 315 3HG2 ILE 47 3HG2 ILE 47 10.789 10.710 8.043 316 1HD1 ILE 47 1HD1 ILE 47 14.284 11.247 8.095 317 2HD1 ILE 47 2HD1 ILE 47 15.611 10.086 8.046 318 3HD1 ILE 47 3HD1 ILE 47 14.257 9.832 9.143 319 HA PRO 48 HA PRO 48 12.160 10.020 12.587 320 1HB PRO 48 HB2 PRO 48 14.691 9.685 13.615 321 2HB PRO 48 HB1 PRO 48 13.426 8.446 13.689 322 1HG PRO 48 HG2 PRO 48 15.830 8.572 11.923 323 2HG PRO 48 HG1 PRO 48 14.939 7.157 12.509 324 1HD PRO 48 HD2 PRO 48 14.727 8.270 9.928 325 2HD PRO 48 HD1 PRO 48 13.590 7.117 10.655 326 H ARG 49 H ARG 49 15.593 10.605 12.230 327 HA ARG 49 HA ARG 49 15.038 13.368 11.254 328 1HB ARG 49 HB2 ARG 49 16.806 12.666 13.619 329 2HB ARG 49 HB1 ARG 49 16.569 14.282 12.952 330 1HG ARG 49 HG2 ARG 49 14.129 12.740 13.709 331 2HG ARG 49 HG1 ARG 49 15.117 13.392 15.016 332 1HD ARG 49 HD2 ARG 49 14.583 15.552 14.521 333 2HD ARG 49 HD1 ARG 49 14.600 15.261 12.781 334 HE ARG 49 HE ARG 49 12.329 14.007 13.360 335 1HH1 ARG 49 1HH1 ARG 49 12.113 16.868 12.562 336 2HH1 ARG 49 2HH1 ARG 49 11.238 17.560 13.888 337 1HH2 ARG 49 1HH2 ARG 49 11.852 14.900 16.026 338 2HH2 ARG 49 2HH2 ARG 49 11.093 16.446 15.850 339 H GLY 50 H GLY 50 16.613 10.572 10.673 340 1HA GLY 50 HA2 GLY 50 18.163 10.439 8.783 341 2HA GLY 50 HA1 GLY 50 18.814 12.006 9.262 342 H ASP 51 H ASP 51 20.736 10.240 8.905 343 HA ASP 51 HA ASP 51 22.485 9.058 9.930 344 1HB ASP 51 HB2 ASP 51 21.512 10.518 12.406 345 2HB ASP 51 HB1 ASP 51 23.124 9.851 12.140 346 H MET 52 H MET 52 19.574 8.052 10.077 347 HA MET 52 HA MET 52 20.167 5.870 12.010 348 1HB MET 52 HB2 MET 52 18.022 7.861 12.221 349 2HB MET 52 HB1 MET 52 17.428 6.202 12.257 350 1HG MET 52 HG2 MET 52 18.352 5.787 14.288 351 2HG MET 52 HG1 MET 52 19.844 6.637 13.881 352 1HE MET 52 HE1 MET 52 19.991 7.144 16.096 353 2HE MET 52 HE2 MET 52 19.223 8.468 16.967 354 3HE MET 52 HE3 MET 52 20.346 8.819 15.656 355 HA PRO 53 HA PRO 53 18.442 3.291 8.903 356 1HB PRO 53 HB2 PRO 53 17.157 1.384 10.409 357 2HB PRO 53 HB1 PRO 53 18.920 1.489 10.260 358 1HG PRO 53 HG2 PRO 53 17.182 2.244 12.564 359 2HG PRO 53 HG1 PRO 53 18.881 1.743 12.557 360 1HD PRO 53 HD2 PRO 53 17.930 4.403 12.796 361 2HD PRO 53 HD1 PRO 53 19.608 3.917 12.473 362 H ASP 54 H ASP 54 16.707 3.761 7.601 363 HA ASP 54 HA ASP 54 14.143 4.559 8.874 364 1HB ASP 54 HB2 ASP 54 14.870 4.682 5.937 365 2HB ASP 54 HB1 ASP 54 13.564 5.537 6.759 366 H ASP 55 H ASP 55 12.161 3.531 8.255 367 HA ASP 55 HA ASP 55 12.487 0.692 7.563 368 1HB ASP 55 HB2 ASP 55 10.747 2.026 9.203 369 2HB ASP 55 HB1 ASP 55 9.755 1.798 7.763 370 H ARG 56 H ARG 56 10.905 -0.236 5.892 371 HA ARG 56 HA ARG 56 10.323 1.659 3.680 372 1HB ARG 56 HB2 ARG 56 11.644 -0.961 3.060 373 2HB ARG 56 HB1 ARG 56 11.531 0.490 2.064 374 1HG ARG 56 HG2 ARG 56 12.898 1.528 4.124 375 2HG ARG 56 HG1 ARG 56 13.429 -0.150 4.271 376 1HD ARG 56 HD2 ARG 56 14.379 -0.169 2.117 377 2HD ARG 56 HD1 ARG 56 13.456 1.243 1.599 378 HE ARG 56 HE ARG 56 14.919 2.515 3.311 379 1HH1 ARG 56 1HH2 ARG 56 16.389 -0.109 3.974 380 2HH1 ARG 56 2HH2 ARG 56 17.845 0.104 3.064 381 1HH2 ARG 56 1HH1 ARG 56 16.579 2.694 1.139 382 2HH2 ARG 56 2HH1 ARG 56 17.952 1.689 1.457 383 H CYS 57 H CYS 57 8.526 1.098 2.496 384 HA CYS 57 HA CYS 57 6.619 -0.676 3.636 385 1HB CYS 57 HB2 CYS 57 6.689 0.022 0.699 386 2HB CYS 57 HB1 CYS 57 5.281 -0.257 1.721 387 H THR 58 H THR 58 5.852 -2.730 2.767 388 HA THR 58 HA THR 58 8.093 -4.367 1.723 389 HB THR 58 HB THR 58 6.739 -6.291 2.417 390 HG1 THR 58 HG1 THR 58 4.703 -6.022 3.155 391 1HG2 THR 58 1HG2 THR 58 6.387 -4.462 4.735 392 2HG2 THR 58 2HG2 THR 58 8.016 -4.600 4.074 393 3HG2 THR 58 3HG2 THR 58 7.175 -6.038 4.654 394 H GLY 59 H GLY 59 5.783 -2.549 0.355 395 1HA GLY 59 HA2 GLY 59 5.262 -2.587 -1.989 396 2HA GLY 59 HA1 GLY 59 5.680 -4.297 -2.030 397 H GLN 60 H GLN 60 3.971 -4.595 0.522 398 HA GLN 60 HA GLN 60 1.311 -4.488 -0.844 399 1HB GLN 60 HB2 GLN 60 2.399 -6.669 0.961 400 2HB GLN 60 HB1 GLN 60 0.757 -6.611 0.321 401 1HG GLN 60 HG2 GLN 60 3.230 -6.601 -1.429 402 2HG GLN 60 HG1 GLN 60 2.340 -8.065 -1.009 403 1HE2 GLN 60 1HE2 GLN 60 -0.214 -7.718 -1.404 404 2HE2 GLN 60 2HE2 GLN 60 -0.602 -7.010 -2.897 405 H SER 61 H SER 61 3.136 -3.486 1.806 406 HA SER 61 HA SER 61 0.806 -3.386 3.638 407 1HB SER 61 HB2 SER 61 2.822 -3.996 4.753 408 2HB SER 61 HB1 SER 61 3.739 -2.722 3.951 409 HG SER 61 HG SER 61 3.284 -1.784 5.821 410 H ALA 62 H ALA 62 -0.383 -1.545 3.928 411 HA ALA 62 HA ALA 62 0.265 0.800 2.278 412 1HB ALA 62 HB1 ALA 62 -2.093 -0.266 3.597 413 2HB ALA 62 HB2 ALA 62 -1.979 0.901 2.283 414 3HB ALA 62 HB3 ALA 62 -1.888 1.449 3.955 415 H ASP 63 H ASP 63 -0.021 0.026 5.745 416 HA ASP 63 HA ASP 63 0.965 2.710 6.459 417 1HB ASP 63 HB2 ASP 63 0.768 0.484 8.453 418 2HB ASP 63 HB1 ASP 63 0.389 2.197 8.645 419 H CYS 64 H CYS 64 2.919 2.766 8.005 420 HA CYS 64 HA CYS 64 5.046 1.172 6.740 421 1HB CYS 64 HB2 CYS 64 5.374 3.611 7.186 422 2HB CYS 64 HB1 CYS 64 5.303 3.278 8.893 423 HA PRO 65 HA PRO 65 4.704 -1.734 10.069 424 1HB PRO 65 HB2 PRO 65 6.348 -3.553 8.854 425 2HB PRO 65 HB1 PRO 65 4.632 -3.394 8.478 426 1HG PRO 65 HG2 PRO 65 7.008 -2.563 6.893 427 2HG PRO 65 HG1 PRO 65 5.370 -2.952 6.340 428 1HD PRO 65 HD2 PRO 65 6.450 -0.357 6.651 429 2HD PRO 65 HD1 PRO 65 4.738 -0.761 6.405 430 H ARG 66 H ARG 66 6.923 -3.384 10.632 431 HA ARG 66 HA ARG 66 8.777 -1.391 11.807 432 1HB ARG 66 HB2 ARG 66 9.274 -4.227 12.409 433 2HB ARG 66 HB1 ARG 66 9.066 -2.868 13.510 434 1HG ARG 66 HG2 ARG 66 6.555 -3.000 12.867 435 2HG ARG 66 HG1 ARG 66 6.949 -4.607 12.254 436 1HD ARG 66 HD2 ARG 66 7.433 -3.620 15.081 437 2HD ARG 66 HD1 ARG 66 6.177 -4.751 14.583 438 HE ARG 66 HE ARG 66 8.288 -6.133 13.755 439 1HH1 ARG 66 1HH1 ARG 66 9.763 -3.959 15.523 440 2HH1 ARG 66 2HH1 ARG 66 10.115 -4.932 16.912 441 1HH2 ARG 66 1HH2 ARG 66 7.962 -7.490 15.998 442 2HH2 ARG 66 2HH2 ARG 66 9.094 -6.929 17.182 443 H TYR 67 H TYR 67 11.057 -3.034 12.048 444 HA TYR 67 HA TYR 67 12.109 -2.819 9.310 445 1HB TYR 67 HB2 TYR 67 13.467 -3.686 11.880 446 2HB TYR 67 HB1 TYR 67 14.280 -3.332 10.355 447 HD1 TYR 67 HD2 TYR 67 14.026 -0.987 9.359 448 HD2 TYR 67 HD1 TYR 67 12.928 -1.954 13.398 449 HE1 TYR 67 HE2 TYR 67 14.095 1.420 9.953 450 HE2 TYR 67 HE1 TYR 67 12.995 0.453 13.992 451 HH TYR 67 HH TYR 67 12.845 2.865 11.915 452 H HIS 68 H HIS 68 11.925 -5.392 11.796 453 HA HIS 68 HA HIS 68 12.885 -7.541 10.297 454 1HB HIS 68 HB2 HIS 68 11.194 -7.200 12.637 455 2HB HIS 68 HB1 HIS 68 10.676 -8.588 11.677 456 HD1 HIS 68 HD1 HIS 68 12.536 -10.435 11.181 457 HD2 HIS 68 HD2 HIS 68 13.599 -7.574 14.020 458 HE1 HIS 68 HE1 HIS 68 14.553 -11.356 12.405 Start of MODEL 20 1 1H GLY 1 HT1 GLY 1 -10.048 -3.740 14.365 2 2H GLY 1 HT2 GLY 1 -9.996 -3.389 12.704 3 3H GLY 1 HT3 GLY 1 -8.610 -3.971 13.497 4 1HA GLY 1 HA1 GLY 1 -9.402 -6.113 13.651 5 2HA GLY 1 HA2 GLY 1 -11.075 -5.581 13.475 6 H LYS 2 H LYS 2 -11.310 -7.129 11.712 7 HA LYS 2 HA LYS 2 -9.813 -6.422 9.231 8 1HB LYS 2 HB2 LYS 2 -10.180 -8.870 10.295 9 2HB LYS 2 HB1 LYS 2 -11.637 -8.774 9.307 10 1HG LYS 2 HG2 LYS 2 -10.436 -8.607 7.312 11 2HG LYS 2 HG1 LYS 2 -8.988 -7.998 8.119 12 1HD LYS 2 HD2 LYS 2 -8.185 -10.100 8.139 13 2HD LYS 2 HD1 LYS 2 -9.487 -10.537 9.246 14 1HE LYS 2 HE2 LYS 2 -10.969 -10.996 7.323 15 2HE LYS 2 HE1 LYS 2 -9.660 -10.576 6.219 16 1HZ LYS 2 HZ1 LYS 2 -10.151 -13.051 7.153 17 2HZ LYS 2 HZ2 LYS 2 -8.939 -12.520 8.220 18 3HZ LYS 2 HZ3 LYS 2 -8.657 -12.528 6.544 19 H GLU 3 H GLU 3 -11.992 -4.767 10.250 20 HA GLU 3 HA GLU 3 -13.940 -5.168 8.013 21 1HB GLU 3 HB2 GLU 3 -14.562 -5.377 10.682 22 2HB GLU 3 HB1 GLU 3 -14.922 -3.681 10.361 23 1HG GLU 3 HG2 GLU 3 -15.920 -5.145 8.151 24 2HG GLU 3 HG1 GLU 3 -16.430 -6.014 9.600 25 H CYS 4 H CYS 4 -11.618 -3.139 9.397 26 HA CYS 4 HA CYS 4 -12.681 -0.886 7.758 27 1HB CYS 4 HB2 CYS 4 -13.052 -0.314 10.111 28 2HB CYS 4 HB1 CYS 4 -11.362 -0.661 10.479 29 H ASP 5 H ASP 5 -11.247 -0.360 6.204 30 HA ASP 5 HA ASP 5 -8.412 -1.198 6.559 31 1HB ASP 5 HB2 ASP 5 -9.964 -1.786 4.498 32 2HB ASP 5 HB1 ASP 5 -9.516 -0.164 3.968 33 H CYS 6 H CYS 6 -10.434 1.570 6.531 34 HA CYS 6 HA CYS 6 -8.030 3.326 6.213 35 1HB CYS 6 HB2 CYS 6 -9.596 5.106 5.521 36 2HB CYS 6 HB1 CYS 6 -9.730 3.702 4.462 37 H SER 7 H SER 7 -7.401 4.200 8.126 38 HA SER 7 HA SER 7 -8.826 3.934 10.561 39 1HB SER 7 HB2 SER 7 -6.832 6.123 9.930 40 2HB SER 7 HB1 SER 7 -7.206 5.440 11.511 41 HG SER 7 HG SER 7 -6.554 3.368 10.320 42 H SER 8 H SER 8 -8.879 6.502 8.131 43 HA SER 8 HA SER 8 -10.588 8.199 9.819 44 1HB SER 8 HB2 SER 8 -10.470 8.948 7.009 45 2HB SER 8 HB1 SER 8 -9.942 9.850 8.426 46 HG SER 8 HG SER 8 -8.077 9.420 7.440 47 HA PRO 9 HA PRO 9 -14.229 6.175 8.228 48 1HB PRO 9 HB2 PRO 9 -16.018 7.702 9.648 49 2HB PRO 9 HB1 PRO 9 -15.102 6.359 10.354 50 1HG PRO 9 HG2 PRO 9 -14.703 9.292 10.706 51 2HG PRO 9 HG1 PRO 9 -14.271 7.962 11.794 52 1HD PRO 9 HD2 PRO 9 -12.493 9.365 10.087 53 2HD PRO 9 HD1 PRO 9 -12.146 7.850 10.948 54 H GLU 10 H GLU 10 -13.146 9.287 7.580 55 HA GLU 10 HA GLU 10 -15.530 9.886 5.879 56 1HB GLU 10 HB2 GLU 10 -13.413 11.709 7.052 57 2HB GLU 10 HB1 GLU 10 -14.612 12.239 5.870 58 1HG GLU 10 HG2 GLU 10 -16.222 12.379 7.446 59 2HG GLU 10 HG1 GLU 10 -15.853 10.764 8.051 60 H ASN 11 H ASN 11 -12.386 8.720 5.751 61 HA ASN 11 HA ASN 11 -11.208 9.959 3.530 62 1HB ASN 11 HB2 ASN 11 -10.428 7.927 5.030 63 2HB ASN 11 HB1 ASN 11 -11.141 6.966 3.735 64 1HD2 ASN 11 1HD2 ASN 11 -8.242 8.333 4.680 65 2HD2 ASN 11 2HD2 ASN 11 -7.506 8.490 3.158 66 HA PRO 12 HA PRO 12 -14.195 8.953 0.390 67 1HB PRO 12 HB2 PRO 12 -12.830 10.147 -1.675 68 2HB PRO 12 HB1 PRO 12 -13.774 11.048 -0.474 69 1HG PRO 12 HG2 PRO 12 -10.817 10.812 -0.741 70 2HG PRO 12 HG1 PRO 12 -11.778 12.096 0.010 71 1HD PRO 12 HD2 PRO 12 -10.388 10.019 1.369 72 2HD PRO 12 HD1 PRO 12 -11.554 11.154 2.084 73 H CYS 13 H CYS 13 -11.851 7.046 1.056 74 HA CYS 13 HA CYS 13 -11.692 5.796 -1.650 75 1HB CYS 13 HB2 CYS 13 -9.525 6.850 -0.664 76 2HB CYS 13 HB1 CYS 13 -9.534 5.470 0.435 77 H CYS 14 H CYS 14 -12.933 5.519 1.407 78 HA CYS 14 HA CYS 14 -13.120 2.565 1.114 79 1HB CYS 14 HB2 CYS 14 -12.682 2.236 3.493 80 2HB CYS 14 HB1 CYS 14 -11.322 3.088 2.762 81 H ASP 15 H ASP 15 -15.158 1.800 1.550 82 HA ASP 15 HA ASP 15 -17.364 3.581 1.807 83 1HB ASP 15 HB2 ASP 15 -17.324 1.101 1.036 84 2HB ASP 15 HB1 ASP 15 -17.438 0.715 2.753 85 H ALA 16 H ALA 16 -17.876 4.767 3.578 86 HA ALA 16 HA ALA 16 -16.683 4.322 6.157 87 1HB ALA 16 HB1 ALA 16 -18.505 5.998 6.886 88 2HB ALA 16 HB2 ALA 16 -18.949 6.062 5.181 89 3HB ALA 16 HB3 ALA 16 -17.334 6.553 5.689 90 H ALA 17 H ALA 17 -19.611 3.176 4.635 91 HA ALA 17 HA ALA 17 -21.123 2.487 6.938 92 1HB ALA 17 HB1 ALA 17 -20.920 1.088 4.255 93 2HB ALA 17 HB2 ALA 17 -22.090 2.327 4.707 94 3HB ALA 17 HB3 ALA 17 -22.150 0.737 5.468 95 H THR 18 H THR 18 -18.443 0.832 5.329 96 HA THR 18 HA THR 18 -18.475 -1.178 7.546 97 HB THR 18 HB THR 18 -18.776 -2.418 5.562 98 HG1 THR 18 HG1 THR 18 -16.590 -3.256 5.141 99 1HG2 THR 18 1HG2 THR 18 -16.950 -0.350 4.374 100 2HG2 THR 18 2HG2 THR 18 -18.541 -0.876 3.822 101 3HG2 THR 18 3HG2 THR 18 -17.137 -1.915 3.585 102 H CYS 19 H CYS 19 -16.721 1.334 5.980 103 HA CYS 19 HA CYS 19 -14.764 2.418 6.750 104 1HB CYS 19 HB2 CYS 19 -15.421 1.128 8.977 105 2HB CYS 19 HB1 CYS 19 -14.051 0.114 8.528 106 H LYS 20 H LYS 20 -15.061 0.086 4.721 107 HA LYS 20 HA LYS 20 -12.126 -0.514 4.559 108 1HB LYS 20 HB2 LYS 20 -14.378 -2.192 3.417 109 2HB LYS 20 HB1 LYS 20 -12.662 -2.597 3.439 110 1HG LYS 20 HG2 LYS 20 -12.819 -2.399 6.003 111 2HG LYS 20 HG1 LYS 20 -14.568 -2.434 5.778 112 1HD LYS 20 HD2 LYS 20 -13.902 -4.701 6.153 113 2HD LYS 20 HD1 LYS 20 -14.226 -4.564 4.423 114 1HE LYS 20 HE2 LYS 20 -11.802 -4.210 4.017 115 2HE LYS 20 HE1 LYS 20 -11.499 -4.421 5.742 116 1HZ LYS 20 HZ1 LYS 20 -11.348 -6.579 5.308 117 2HZ LYS 20 HZ2 LYS 20 -11.943 -6.389 3.728 118 3HZ LYS 20 HZ3 LYS 20 -13.020 -6.580 5.029 119 H LEU 21 H LEU 21 -11.534 -1.060 2.151 120 HA LEU 21 HA LEU 21 -11.884 1.278 0.586 121 1HB LEU 21 HB2 LEU 21 -10.961 -1.516 -0.020 122 2HB LEU 21 HB1 LEU 21 -11.181 -0.363 -1.336 123 HG LEU 21 HG LEU 21 -9.782 0.891 0.861 124 1HD1 LEU 21 1HD1 LEU 21 -9.190 -1.704 0.984 125 2HD1 LEU 21 2HD1 LEU 21 -7.945 -0.473 1.193 126 3HD1 LEU 21 3HD1 LEU 21 -8.133 -1.284 -0.362 127 1HD2 LEU 21 1HD2 LEU 21 -8.110 0.527 -1.399 128 2HD2 LEU 21 2HD2 LEU 21 -9.053 1.958 -0.987 129 3HD2 LEU 21 3HD2 LEU 21 -9.752 0.710 -2.019 130 H ARG 22 H ARG 22 -13.639 1.969 -0.558 131 HA ARG 22 HA ARG 22 -15.902 0.127 -0.938 132 1HB ARG 22 HB2 ARG 22 -15.880 2.730 -0.297 133 2HB ARG 22 HB1 ARG 22 -15.975 2.890 -2.051 134 1HG ARG 22 HG2 ARG 22 -17.791 0.911 -0.755 135 2HG ARG 22 HG1 ARG 22 -18.176 2.623 -0.571 136 1HD ARG 22 HD2 ARG 22 -17.406 2.064 -3.300 137 2HD ARG 22 HD1 ARG 22 -18.714 0.992 -2.807 138 HE ARG 22 HE ARG 22 -19.909 3.154 -2.079 139 1HH1 ARG 22 1HH2 ARG 22 -18.376 2.534 -5.012 140 2HH1 ARG 22 2HH2 ARG 22 -18.535 4.143 -5.633 141 1HH2 ARG 22 1HH1 ARG 22 -19.734 5.460 -2.659 142 2HH2 ARG 22 2HH1 ARG 22 -19.303 5.797 -4.304 143 HA PRO 23 HA PRO 23 -14.899 1.120 -5.499 144 1HB PRO 23 HB2 PRO 23 -12.596 2.524 -6.025 145 2HB PRO 23 HB1 PRO 23 -14.165 3.296 -5.734 146 1HG PRO 23 HG2 PRO 23 -11.792 3.145 -3.945 147 2HG PRO 23 HG1 PRO 23 -13.108 4.330 -3.964 148 1HD PRO 23 HD2 PRO 23 -12.821 2.148 -2.162 149 2HD PRO 23 HD1 PRO 23 -14.238 3.200 -2.331 150 H GLY 24 H GLY 24 -12.479 0.898 -6.948 151 1HA GLY 24 HA2 GLY 24 -11.584 -1.777 -6.062 152 2HA GLY 24 HA1 GLY 24 -11.258 -1.048 -7.636 153 H ALA 25 H ALA 25 -10.754 0.788 -4.717 154 HA ALA 25 HA ALA 25 -7.958 1.211 -5.386 155 1HB ALA 25 HB1 ALA 25 -8.170 2.215 -2.878 156 2HB ALA 25 HB2 ALA 25 -9.874 2.185 -3.331 157 3HB ALA 25 HB3 ALA 25 -8.718 3.089 -4.308 158 H GLN 26 H GLN 26 -6.133 0.323 -4.361 159 HA GLN 26 HA GLN 26 -6.590 -2.194 -2.924 160 1HB GLN 26 HB2 GLN 26 -4.413 -0.938 -4.394 161 2HB GLN 26 HB1 GLN 26 -3.852 -1.624 -2.869 162 1HG GLN 26 HG2 GLN 26 -3.712 -3.477 -4.275 163 2HG GLN 26 HG1 GLN 26 -5.324 -3.683 -3.587 164 1HE2 GLN 26 1HE2 GLN 26 -4.055 -4.307 -6.390 165 2HE2 GLN 26 2HE2 GLN 26 -5.200 -3.678 -7.472 166 H CYS 27 H CYS 27 -5.872 1.103 -2.162 167 HA CYS 27 HA CYS 27 -5.914 0.434 0.711 168 1HB CYS 27 HB2 CYS 27 -3.876 1.964 1.045 169 2HB CYS 27 HB1 CYS 27 -3.557 0.349 0.412 170 H GLY 28 H GLY 28 -6.976 2.021 1.846 171 1HA GLY 28 HA2 GLY 28 -7.901 4.361 0.288 172 2HA GLY 28 HA1 GLY 28 -8.581 3.811 1.817 173 H GLU 29 H GLU 29 -5.724 3.565 2.887 174 HA GLU 29 HA GLU 29 -4.663 6.268 2.887 175 1HB GLU 29 HB2 GLU 29 -6.734 6.514 4.281 176 2HB GLU 29 HB1 GLU 29 -6.069 5.331 5.403 177 1HG GLU 29 HG2 GLU 29 -4.051 7.288 4.908 178 2HG GLU 29 HG1 GLU 29 -5.547 8.140 5.279 179 H GLY 30 H GLY 30 -2.670 6.391 4.092 180 1HA GLY 30 HA2 GLY 30 -1.575 4.654 5.936 181 2HA GLY 30 HA1 GLY 30 -1.335 3.816 4.401 182 H LEU 31 H LEU 31 1.036 4.231 5.100 183 HA LEU 31 HA LEU 31 1.879 7.010 4.455 184 1HB LEU 31 HB2 LEU 31 4.196 5.865 5.166 185 2HB LEU 31 HB1 LEU 31 3.088 6.577 6.338 186 HG LEU 31 HG LEU 31 2.025 4.324 6.600 187 1HD1 LEU 31 1HD1 LEU 31 2.486 2.828 4.973 188 2HD1 LEU 31 2HD1 LEU 31 4.064 2.636 5.712 189 3HD1 LEU 31 3HD1 LEU 31 3.850 3.776 4.395 190 1HD2 LEU 31 1HD2 LEU 31 3.923 5.291 8.031 191 2HD2 LEU 31 2HD2 LEU 31 4.988 4.215 7.139 192 3HD2 LEU 31 3HD2 LEU 31 3.683 3.549 8.114 193 H CYS 32 H CYS 32 1.972 3.737 3.305 194 HA CYS 32 HA CYS 32 3.624 4.668 0.995 195 1HB CYS 32 HB2 CYS 32 3.359 1.913 2.219 196 2HB CYS 32 HB1 CYS 32 4.174 2.229 0.686 197 H CYS 33 H CYS 33 1.023 5.323 0.839 198 HA CYS 33 HA CYS 33 -0.007 3.420 -1.211 199 1HB CYS 33 HB2 CYS 33 -1.362 2.916 0.715 200 2HB CYS 33 HB1 CYS 33 -1.572 4.624 1.091 201 H GLU 34 H GLU 34 0.130 4.654 -3.041 202 HA GLU 34 HA GLU 34 -0.702 7.518 -2.847 203 1HB GLU 34 HB2 GLU 34 1.109 6.144 -4.858 204 2HB GLU 34 HB1 GLU 34 0.638 7.842 -4.921 205 1HG GLU 34 HG2 GLU 34 1.595 8.084 -2.584 206 2HG GLU 34 HG1 GLU 34 2.265 6.464 -2.773 207 H GLN 35 H GLN 35 -2.407 8.182 -4.114 208 HA GLN 35 HA GLN 35 -4.258 7.997 -5.535 209 1HB GLN 35 HB2 GLN 35 -2.176 6.305 -6.875 210 2HB GLN 35 HB1 GLN 35 -3.835 6.239 -7.474 211 1HG GLN 35 HG2 GLN 35 -3.691 8.301 -8.399 212 2HG GLN 35 HG1 GLN 35 -2.926 8.976 -6.961 213 1HE2 GLN 35 1HE2 GLN 35 -2.174 6.967 -9.849 214 2HE2 GLN 35 2HE2 GLN 35 -0.548 7.448 -9.945 215 H CYS 36 H CYS 36 -3.961 6.309 -3.139 216 HA CYS 36 HA CYS 36 -5.147 4.590 -2.088 217 1HB CYS 36 HB2 CYS 36 -6.769 5.003 -4.591 218 2HB CYS 36 HB1 CYS 36 -7.150 3.698 -3.478 219 H LYS 37 H LYS 37 -2.937 4.105 -4.211 220 HA LYS 37 HA LYS 37 -3.572 1.210 -4.630 221 1HB LYS 37 HB2 LYS 37 -1.768 3.027 -6.256 222 2HB LYS 37 HB1 LYS 37 -1.993 1.301 -6.543 223 1HG LYS 37 HG2 LYS 37 -4.501 2.845 -6.347 224 2HG LYS 37 HG1 LYS 37 -3.488 3.262 -7.731 225 1HD LYS 37 HD2 LYS 37 -3.303 0.617 -7.950 226 2HD LYS 37 HD1 LYS 37 -4.837 0.673 -7.081 227 1HE LYS 37 HE2 LYS 37 -4.953 2.677 -9.090 228 2HE LYS 37 HE1 LYS 37 -4.340 1.211 -9.859 229 1HZ LYS 37 HZ1 LYS 37 -6.675 1.127 -8.055 230 2HZ LYS 37 HZ2 LYS 37 -6.212 0.011 -9.251 231 3HZ LYS 37 HZ3 LYS 37 -6.854 1.520 -9.696 232 H PHE 38 H PHE 38 -2.174 -0.238 -3.720 233 HA PHE 38 HA PHE 38 -0.363 0.433 -1.702 234 1HB PHE 38 HB2 PHE 38 -0.552 -1.939 -3.547 235 2HB PHE 38 HB1 PHE 38 0.752 -1.831 -2.368 236 HD1 PHE 38 HD1 PHE 38 -0.602 -0.476 -0.103 237 HD2 PHE 38 HD2 PHE 38 -1.975 -3.616 -2.695 238 HE1 PHE 38 HE1 PHE 38 -2.137 -1.275 1.673 239 HE2 PHE 38 HE2 PHE 38 -3.508 -4.413 -0.918 240 HZ PHE 38 HZ PHE 38 -3.590 -3.242 1.267 241 H SER 39 H SER 39 1.518 1.580 -1.805 242 HA SER 39 HA SER 39 2.778 2.344 -4.247 243 1HB SER 39 HB2 SER 39 4.135 2.133 -1.544 244 2HB SER 39 HB1 SER 39 4.577 3.191 -2.879 245 HG SER 39 HG SER 39 3.336 4.248 -1.245 246 H ARG 40 H ARG 40 5.557 1.664 -3.584 247 HA ARG 40 HA ARG 40 5.454 -1.257 -4.225 248 1HB ARG 40 HB2 ARG 40 7.457 -0.940 -5.594 249 2HB ARG 40 HB1 ARG 40 6.199 0.169 -6.137 250 1HG ARG 40 HG2 ARG 40 7.290 1.847 -4.462 251 2HG ARG 40 HG1 ARG 40 8.686 0.773 -4.552 252 1HD ARG 40 HD2 ARG 40 9.229 2.090 -6.341 253 2HD ARG 40 HD1 ARG 40 8.120 1.013 -7.189 254 HE ARG 40 HE ARG 40 6.478 2.760 -7.192 255 1HH1 ARG 40 1HH1 ARG 40 7.175 3.744 -4.375 256 2HH1 ARG 40 2HH1 ARG 40 7.763 5.335 -4.721 257 1HH2 ARG 40 1HH2 ARG 40 8.173 4.733 -8.112 258 2HH2 ARG 40 2HH2 ARG 40 8.328 5.895 -6.838 259 H ALA 41 H ALA 41 7.055 -2.570 -3.230 260 HA ALA 41 HA ALA 41 7.816 -1.925 -0.591 261 1HB ALA 41 HB1 ALA 41 9.734 -3.707 -1.875 262 2HB ALA 41 HB2 ALA 41 8.073 -4.137 -2.282 263 3HB ALA 41 HB3 ALA 41 8.573 -4.053 -0.593 264 H GLY 42 H GLY 42 10.297 -1.878 0.082 265 1HA GLY 42 HA2 GLY 42 12.343 -0.694 -0.033 266 2HA GLY 42 HA1 GLY 42 12.083 -0.539 -1.767 267 H LYS 43 H LYS 43 9.576 0.417 0.453 268 HA LYS 43 HA LYS 43 9.991 3.233 -0.445 269 1HB LYS 43 HB2 LYS 43 7.791 2.408 -0.950 270 2HB LYS 43 HB1 LYS 43 7.586 1.788 0.688 271 1HG LYS 43 HG2 LYS 43 6.414 3.983 0.257 272 2HG LYS 43 HG1 LYS 43 7.551 4.020 1.603 273 1HD LYS 43 HD2 LYS 43 9.269 5.012 0.158 274 2HD LYS 43 HD1 LYS 43 8.171 4.937 -1.219 275 1HE LYS 43 HE2 LYS 43 7.240 6.333 1.257 276 2HE LYS 43 HE1 LYS 43 8.395 7.161 0.215 277 1HZ LYS 43 HZ1 LYS 43 5.757 7.206 -0.159 278 2HZ LYS 43 HZ2 LYS 43 6.174 5.886 -1.143 279 3HZ LYS 43 HZ3 LYS 43 6.886 7.406 -1.409 280 H ILE 44 H ILE 44 11.313 4.253 1.006 281 HA ILE 44 HA ILE 44 11.625 3.672 3.744 282 HB ILE 44 HB ILE 44 13.163 5.174 2.622 283 1HG1 ILE 44 2HG1 ILE 44 13.010 7.186 4.193 284 2HG1 ILE 44 1HG1 ILE 44 11.522 6.470 4.811 285 1HG2 ILE 44 1HG2 ILE 44 11.253 6.113 1.154 286 2HG2 ILE 44 2HG2 ILE 44 12.531 7.227 1.636 287 3HG2 ILE 44 3HG2 ILE 44 10.979 7.249 2.474 288 1HD1 ILE 44 1HD1 ILE 44 14.206 5.061 4.739 289 2HD1 ILE 44 2HD1 ILE 44 12.717 4.442 5.451 290 3HD1 ILE 44 3HD1 ILE 44 13.522 5.839 6.166 291 H CYS 45 H CYS 45 10.001 3.592 5.207 292 HA CYS 45 HA CYS 45 7.735 5.526 4.939 293 1HB CYS 45 HB2 CYS 45 6.752 3.987 6.780 294 2HB CYS 45 HB1 CYS 45 6.794 3.413 5.118 295 H ARG 46 H ARG 46 10.512 4.855 6.879 296 HA ARG 46 HA ARG 46 9.910 7.194 8.541 297 1HB ARG 46 HB2 ARG 46 10.369 4.563 9.962 298 2HB ARG 46 HB1 ARG 46 9.879 6.104 10.664 299 1HG ARG 46 HG2 ARG 46 7.734 5.975 9.438 300 2HG ARG 46 HG1 ARG 46 8.221 4.420 8.763 301 1HD ARG 46 HD2 ARG 46 6.907 3.821 10.623 302 2HD ARG 46 HD1 ARG 46 8.559 3.688 11.225 303 HE ARG 46 HE ARG 46 7.832 5.247 12.831 304 1HH1 ARG 46 1HH1 ARG 46 8.377 7.529 11.075 305 2HH1 ARG 46 2HH1 ARG 46 6.842 8.324 10.964 306 1HH2 ARG 46 1HH2 ARG 46 5.046 5.590 12.112 307 2HH2 ARG 46 2HH2 ARG 46 4.957 7.227 11.555 308 H ILE 47 H ILE 47 11.765 7.798 9.883 309 HA ILE 47 HA ILE 47 14.302 6.455 9.073 310 HB ILE 47 HB ILE 47 13.803 8.646 7.839 311 1HG1 ILE 47 2HG1 ILE 47 16.297 8.676 9.557 312 2HG1 ILE 47 1HG1 ILE 47 16.087 7.587 8.185 313 1HG2 ILE 47 1HG2 ILE 47 14.742 10.065 10.290 314 2HG2 ILE 47 2HG2 ILE 47 13.042 9.602 10.223 315 3HG2 ILE 47 3HG2 ILE 47 13.721 10.648 8.976 316 1HD1 ILE 47 1HD1 ILE 47 17.289 9.803 7.709 317 2HD1 ILE 47 2HD1 ILE 47 15.717 10.572 7.924 318 3HD1 ILE 47 3HD1 ILE 47 15.950 9.387 6.640 319 HA PRO 48 HA PRO 48 14.668 6.560 13.516 320 1HB PRO 48 HB2 PRO 48 17.052 5.196 13.618 321 2HB PRO 48 HB1 PRO 48 15.481 4.408 13.392 322 1HG PRO 48 HG2 PRO 48 17.634 4.916 11.390 323 2HG PRO 48 HG1 PRO 48 16.400 3.644 11.413 324 1HD PRO 48 HD2 PRO 48 16.328 5.987 9.830 325 2HD PRO 48 HD1 PRO 48 14.963 4.888 10.130 326 H ARG 49 H ARG 49 18.006 6.590 12.327 327 HA ARG 49 HA ARG 49 18.416 9.423 12.640 328 1HB ARG 49 HB2 ARG 49 18.117 8.930 15.013 329 2HB ARG 49 HB1 ARG 49 19.316 7.638 14.917 330 1HG ARG 49 HG2 ARG 49 20.736 9.287 15.620 331 2HG ARG 49 HG1 ARG 49 20.766 9.691 13.905 332 1HD ARG 49 HD2 ARG 49 19.420 11.543 14.176 333 2HD ARG 49 HD1 ARG 49 18.561 10.848 15.552 334 HE ARG 49 HE ARG 49 21.298 11.346 16.264 335 1HH1 ARG 49 1HH1 ARG 49 18.466 13.054 15.307 336 2HH1 ARG 49 2HH1 ARG 49 18.707 14.350 16.432 337 1HH2 ARG 49 1HH2 ARG 49 21.543 12.952 17.851 338 2HH2 ARG 49 2HH2 ARG 49 20.446 14.291 17.872 339 H GLY 50 H GLY 50 19.754 6.188 12.531 340 1HA GLY 50 HA2 GLY 50 21.429 6.232 10.466 341 2HA GLY 50 HA1 GLY 50 22.361 7.227 11.586 342 H ASP 51 H ASP 51 23.349 4.751 10.654 343 HA ASP 51 HA ASP 51 24.291 2.763 11.477 344 1HB ASP 51 HB2 ASP 51 24.170 4.619 13.684 345 2HB ASP 51 HB1 ASP 51 23.872 2.983 14.271 346 H MET 52 H MET 52 21.230 3.254 11.209 347 HA MET 52 HA MET 52 20.462 0.682 12.509 348 1HB MET 52 HB2 MET 52 19.117 3.365 12.714 349 2HB MET 52 HB1 MET 52 18.143 1.899 12.791 350 1HG MET 52 HG2 MET 52 20.520 2.520 14.569 351 2HG MET 52 HG1 MET 52 18.829 2.631 15.051 352 1HE MET 52 HE1 MET 52 21.818 -0.257 14.441 353 2HE MET 52 HE2 MET 52 21.386 -0.377 16.144 354 3HE MET 52 HE3 MET 52 21.683 1.205 15.427 355 HA PRO 53 HA PRO 53 18.616 -0.217 8.635 356 1HB PRO 53 HB2 PRO 53 16.410 -1.672 9.403 357 2HB PRO 53 HB1 PRO 53 18.069 -2.296 9.457 358 1HG PRO 53 HG2 PRO 53 16.332 -1.385 11.707 359 2HG PRO 53 HG1 PRO 53 17.655 -2.564 11.715 360 1HD PRO 53 HD2 PRO 53 17.822 0.099 12.630 361 2HD PRO 53 HD1 PRO 53 19.200 -0.969 12.288 362 H ASP 54 H ASP 54 17.574 1.258 7.366 363 HA ASP 54 HA ASP 54 15.670 3.155 8.369 364 1HB ASP 54 HB2 ASP 54 16.279 2.301 5.522 365 2HB ASP 54 HB1 ASP 54 15.310 3.706 5.963 366 H ASP 55 H ASP 55 13.407 3.230 8.119 367 HA ASP 55 HA ASP 55 12.035 0.686 8.087 368 1HB ASP 55 HB2 ASP 55 11.409 3.162 9.038 369 2HB ASP 55 HB1 ASP 55 10.463 3.140 7.553 370 H ARG 56 H ARG 56 10.622 -0.111 6.399 371 HA ARG 56 HA ARG 56 10.574 1.297 3.810 372 1HB ARG 56 HB2 ARG 56 12.786 -0.032 4.079 373 2HB ARG 56 HB1 ARG 56 11.773 -1.458 3.870 374 1HG ARG 56 HG2 ARG 56 11.843 -1.130 1.658 375 2HG ARG 56 HG1 ARG 56 10.972 0.385 1.891 376 1HD ARG 56 HD2 ARG 56 12.842 1.332 0.997 377 2HD ARG 56 HD1 ARG 56 13.498 1.124 2.621 378 HE ARG 56 HE ARG 56 13.952 -1.292 1.213 379 1HH1 ARG 56 1HH2 ARG 56 16.103 0.280 2.575 380 2HH1 ARG 56 2HH2 ARG 56 17.096 0.770 1.244 381 1HH2 ARG 56 1HH1 ARG 56 14.678 0.100 -1.148 382 2HH2 ARG 56 2HH1 ARG 56 16.287 0.671 -0.865 383 H CYS 57 H CYS 57 8.556 0.954 3.047 384 HA CYS 57 HA CYS 57 6.837 -1.103 4.136 385 1HB CYS 57 HB2 CYS 57 6.492 0.622 1.664 386 2HB CYS 57 HB1 CYS 57 5.227 -0.346 2.418 387 H THR 58 H THR 58 5.994 -2.931 2.988 388 HA THR 58 HA THR 58 7.973 -4.240 1.292 389 HB THR 58 HB THR 58 6.473 -6.167 1.408 390 HG1 THR 58 HG1 THR 58 4.439 -5.969 2.074 391 1HG2 THR 58 1HG2 THR 58 6.094 -5.306 4.166 392 2HG2 THR 58 2HG2 THR 58 7.707 -4.913 3.570 393 3HG2 THR 58 3HG2 THR 58 7.132 -6.579 3.524 394 H GLY 59 H GLY 59 5.632 -2.006 0.622 395 1HA GLY 59 HA2 GLY 59 5.175 -1.280 -1.638 396 2HA GLY 59 HA1 GLY 59 5.538 -2.914 -2.199 397 H GLN 60 H GLN 60 3.940 -4.547 -0.824 398 HA GLN 60 HA GLN 60 1.282 -3.867 -1.818 399 1HB GLN 60 HB2 GLN 60 2.332 -6.232 -0.241 400 2HB GLN 60 HB1 GLN 60 0.665 -6.094 -0.802 401 1HG GLN 60 HG2 GLN 60 2.216 -5.497 -3.055 402 2HG GLN 60 HG1 GLN 60 3.044 -6.856 -2.293 403 1HE2 GLN 60 1HE2 GLN 60 1.592 -8.790 -1.740 404 2HE2 GLN 60 2HE2 GLN 60 0.280 -9.116 -2.764 405 H SER 61 H SER 61 2.979 -3.256 1.058 406 HA SER 61 HA SER 61 0.526 -3.223 2.724 407 1HB SER 61 HB2 SER 61 3.286 -2.333 3.567 408 2HB SER 61 HB1 SER 61 1.962 -2.889 4.586 409 HG SER 61 HG SER 61 2.377 -4.919 4.044 410 H ALA 62 H ALA 62 -0.692 -1.402 2.834 411 HA ALA 62 HA ALA 62 0.148 1.089 1.615 412 1HB ALA 62 HB1 ALA 62 -1.945 1.936 2.960 413 2HB ALA 62 HB2 ALA 62 -2.212 0.222 3.274 414 3HB ALA 62 HB3 ALA 62 -2.185 0.820 1.616 415 H ASP 63 H ASP 63 -0.217 -0.027 4.975 416 HA ASP 63 HA ASP 63 0.966 2.476 5.998 417 1HB ASP 63 HB2 ASP 63 0.151 -0.070 7.443 418 2HB ASP 63 HB1 ASP 63 0.635 1.439 8.217 419 H CYS 64 H CYS 64 2.809 2.007 7.749 420 HA CYS 64 HA CYS 64 4.792 0.299 6.337 421 1HB CYS 64 HB2 CYS 64 5.546 2.574 6.569 422 2HB CYS 64 HB1 CYS 64 5.206 2.570 8.288 423 HA PRO 65 HA PRO 65 4.331 -2.486 9.722 424 1HB PRO 65 HB2 PRO 65 5.994 -4.369 8.636 425 2HB PRO 65 HB1 PRO 65 4.306 -4.177 8.161 426 1HG PRO 65 HG2 PRO 65 6.785 -3.445 6.693 427 2HG PRO 65 HG1 PRO 65 5.168 -3.792 6.060 428 1HD PRO 65 HD2 PRO 65 6.317 -1.226 6.396 429 2HD PRO 65 HD1 PRO 65 4.615 -1.578 6.038 430 H ARG 66 H ARG 66 6.262 -4.042 10.754 431 HA ARG 66 HA ARG 66 8.589 -2.230 11.261 432 1HB ARG 66 HB2 ARG 66 6.606 -3.205 13.110 433 2HB ARG 66 HB1 ARG 66 8.183 -3.873 13.536 434 1HG ARG 66 HG2 ARG 66 9.169 -1.661 13.608 435 2HG ARG 66 HG1 ARG 66 7.682 -0.934 12.999 436 1HD ARG 66 HD2 ARG 66 7.071 -0.660 15.154 437 2HD ARG 66 HD1 ARG 66 6.851 -2.408 15.216 438 HE ARG 66 HE ARG 66 9.467 -1.126 15.905 439 1HH1 ARG 66 1HH1 ARG 66 6.856 -2.046 17.611 440 2HH1 ARG 66 2HH1 ARG 66 7.593 -3.357 18.469 441 1HH2 ARG 66 1HH2 ARG 66 10.451 -3.383 16.505 442 2HH2 ARG 66 2HH2 ARG 66 9.630 -4.114 17.842 443 H TYR 67 H TYR 67 10.571 -3.372 11.848 444 HA TYR 67 HA TYR 67 10.823 -5.915 10.406 445 1HB TYR 67 HB2 TYR 67 12.778 -4.110 11.838 446 2HB TYR 67 HB1 TYR 67 13.256 -5.680 11.194 447 HD1 TYR 67 HD2 TYR 67 11.750 -2.402 10.263 448 HD2 TYR 67 HD1 TYR 67 13.673 -5.983 8.878 449 HE1 TYR 67 HE2 TYR 67 11.970 -1.408 8.002 450 HE2 TYR 67 HE1 TYR 67 13.895 -4.990 6.617 451 HH TYR 67 HH TYR 67 12.358 -2.926 5.358 452 H HIS 68 H HIS 68 11.119 -4.777 13.767 453 HA HIS 68 HA HIS 68 11.282 -7.624 14.641 454 1HB HIS 68 HB2 HIS 68 11.868 -5.045 16.127 455 2HB HIS 68 HB1 HIS 68 11.978 -6.657 16.836 456 HD1 HIS 68 HD1 HIS 68 14.464 -4.730 16.451 457 HD2 HIS 68 HD2 HIS 68 13.414 -7.848 13.890 458 HE1 HIS 68 HE1 HIS 68 16.575 -5.384 15.216
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