NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
4177 | 1eww | 5572 | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 HT1 ASP 1 44.313 11.859 3.417 2 2H ASP 1 HT2 ASP 1 45.811 12.658 3.502 3 3H ASP 1 HT3 ASP 1 44.402 13.424 4.065 4 HA ASP 1 HA ASP 1 46.054 12.305 5.746 5 1HB ASP 1 HB2 ASP 1 43.235 12.932 5.543 6 2HB ASP 1 HB1 ASP 1 43.474 11.586 6.658 7 H GLY 2 HN GLY 2 46.906 10.383 4.363 8 1HA GLY 2 HA2 GLY 2 45.267 7.933 4.841 9 2HA GLY 2 HA1 GLY 2 46.534 8.067 3.621 10 H SER 3 HN SER 3 46.140 8.335 7.172 11 HA SER 3 HA SER 3 47.638 7.718 8.899 12 1HB SER 3 HB2 SER 3 46.883 5.571 7.725 13 2HB SER 3 HB1 SER 3 48.428 5.603 6.882 14 HG SER 3 HG SER 3 49.039 4.563 8.624 15 H CYS 4 HN CYS 4 48.939 9.725 8.386 16 HA CYS 4 HA CYS 4 51.093 10.689 8.205 17 1HB CYS 4 HB2 CYS 4 51.419 8.018 8.894 18 2HB CYS 4 HB1 CYS 4 52.452 8.196 7.478 19 H THR 5 HN THR 5 51.483 7.970 5.911 20 HA THR 5 HA THR 5 51.243 9.878 3.633 21 HB THR 5 HB THR 5 53.621 9.696 4.601 22 HG1 THR 5 HG1 THR 5 52.823 10.104 2.277 23 1HG2 THR 5 HG21 THR 5 54.883 7.690 3.969 24 2HG2 THR 5 HG22 THR 5 53.429 6.980 3.266 25 3HG2 THR 5 HG23 THR 5 53.526 7.249 5.007 26 H ASN 6 HN ASN 6 50.091 7.169 4.869 27 HA ASN 6 HA ASN 6 50.376 5.437 2.465 28 1HB ASN 6 HB2 ASN 6 48.849 4.899 5.022 29 2HB ASN 6 HB1 ASN 6 49.545 3.725 3.905 30 1HD2 ASN 6 HD2 ASN 6 52.048 5.499 3.684 31 2HD2 ASN 6 HD2 ASN 6 52.912 5.174 5.109 32 H THR 7 HN THR 7 49.016 6.464 0.923 33 HA THR 7 HA THR 7 46.136 6.770 1.702 34 HB THR 7 HB THR 7 46.057 8.513 0.057 35 HG1 THR 7 HG1 THR 7 47.481 8.669 -1.535 36 1HG2 THR 7 HG21 THR 7 48.686 9.382 0.758 37 2HG2 THR 7 HG22 THR 7 48.014 8.511 2.136 38 3HG2 THR 7 HG23 THR 7 47.149 9.889 1.457 39 H ASN 8 HN ASN 8 47.788 4.365 0.598 40 HA ASN 8 HA ASN 8 45.714 3.259 -1.064 41 1HB ASN 8 HB2 ASN 8 47.443 5.090 -2.313 42 2HB ASN 8 HB1 ASN 8 48.009 3.502 -2.832 43 1HD2 ASN 8 HD2 ASN 8 46.878 4.995 -4.831 44 2HD2 ASN 8 HD2 ASN 8 45.315 4.444 -5.200 45 H SER 9 HN SER 9 49.110 3.244 -0.085 46 HA SER 9 HA SER 9 49.179 0.269 -0.424 47 1HB SER 9 HB2 SER 9 51.504 2.117 0.119 48 2HB SER 9 HB1 SER 9 51.525 0.534 -0.652 49 HG SER 9 HG SER 9 51.685 2.290 -2.146 50 H GLN 10 HN GLN 10 51.463 0.086 1.424 51 HA GLN 10 HA GLN 10 50.247 0.848 4.038 52 1HB GLN 10 HB2 GLN 10 49.384 -1.353 3.569 53 2HB GLN 10 HB1 GLN 10 50.972 -1.927 3.060 54 1HG GLN 10 HG2 GLN 10 51.569 -2.395 5.183 55 2HG GLN 10 HG1 GLN 10 51.070 -0.798 5.737 56 1HE2 GLN 10 HE21 GLN 10 49.091 -3.419 4.258 57 2HE2 GLN 10 HE22 GLN 10 48.021 -3.554 5.569 58 H LEU 11 HN LEU 11 51.922 2.051 4.892 59 HA LEU 11 HA LEU 11 54.732 1.214 4.418 60 1HB LEU 11 HB2 LEU 11 53.867 3.581 4.171 61 2HB LEU 11 HB1 LEU 11 53.595 3.597 5.913 62 HG LEU 11 HG LEU 11 56.034 2.994 6.207 63 1HD1 LEU 11 HD1 LEU 11 57.191 3.933 3.896 64 2HD1 LEU 11 HD1 LEU 11 55.820 3.014 3.272 65 3HD1 LEU 11 HD1 LEU 11 57.011 2.228 4.308 66 1HD2 LEU 11 HD2 LEU 11 55.727 5.564 4.654 67 2HD2 LEU 11 HD2 LEU 11 56.742 5.247 6.062 68 3HD2 LEU 11 HD2 LEU 11 54.993 5.366 6.246 69 H SER 12 HN SER 12 53.029 -0.459 6.120 70 HA SER 12 HA SER 12 53.325 -1.643 8.151 71 1HB SER 12 HB2 SER 12 55.491 -1.640 8.842 72 2HB SER 12 HB1 SER 12 55.769 -0.572 7.474 73 HG SER 12 HG SER 12 56.527 0.526 9.198 74 H ALA 13 HN ALA 13 52.400 1.531 7.865 75 HA ALA 13 HA ALA 13 51.459 3.101 9.372 76 1HB ALA 13 HB1 ALA 13 50.196 0.736 9.477 77 2HB ALA 13 HB2 ALA 13 49.738 2.071 10.535 78 3HB ALA 13 HB3 ALA 13 50.782 0.785 11.140 79 H ASN 14 HN ASN 14 54.315 2.028 9.892 80 HA ASN 14 HA ASN 14 54.625 3.297 12.531 81 1HB ASN 14 HB2 ASN 14 53.923 0.922 12.934 82 2HB ASN 14 HB1 ASN 14 55.374 0.394 12.082 83 1HD2 ASN 14 HD2 ASN 14 57.400 0.531 13.195 84 2HD2 ASN 14 HD2 ASN 14 57.530 1.036 14.811 85 H SER 15 HN SER 15 55.747 3.055 9.502 86 HA SER 15 HA SER 15 58.642 2.908 10.196 87 1HB SER 15 HB2 SER 15 57.361 3.261 7.477 88 2HB SER 15 HB1 SER 15 58.956 2.606 7.839 89 HG SER 15 HG SER 15 57.076 1.117 7.380 90 H LYS 16 HN LYS 16 59.149 4.665 7.781 91 HA LYS 16 HA LYS 16 58.707 7.283 9.169 92 1HB LYS 16 HB2 LYS 16 61.023 6.200 8.543 93 2HB LYS 16 HB1 LYS 16 60.642 6.774 6.919 94 1HG LYS 16 HG2 LYS 16 61.968 8.439 8.203 95 2HG LYS 16 HG1 LYS 16 60.378 9.062 7.760 96 1HD LYS 16 HD2 LYS 16 59.755 9.269 9.920 97 2HD LYS 16 HD1 LYS 16 60.325 7.646 10.312 98 1HE LYS 16 HE2 LYS 16 62.355 8.403 11.065 99 2HE LYS 16 HE1 LYS 16 62.450 9.668 9.823 100 1HZ LYS 16 HZ1 LYS 16 61.946 10.945 11.630 101 2HZ LYS 16 HZ2 LYS 16 61.080 9.711 12.414 102 3HZ LYS 16 HZ3 LYS 16 60.372 10.562 11.127 103 H CYS 17 HN CYS 17 56.576 7.631 8.273 104 HA CYS 17 HA CYS 17 55.926 7.386 5.494 105 1HB CYS 17 HB2 CYS 17 53.946 8.653 6.163 106 2HB CYS 17 HB1 CYS 17 54.356 7.504 7.437 107 H GLU 18 HN GLU 18 58.210 8.522 4.973 108 HA GLU 18 HA GLU 18 57.883 11.486 4.866 109 1HB GLU 18 HB2 GLU 18 60.133 9.503 4.641 110 2HB GLU 18 HB1 GLU 18 60.340 11.127 3.981 111 1HG GLU 18 HG2 GLU 18 59.414 10.583 6.814 112 2HG GLU 18 HG1 GLU 18 61.098 10.878 6.380 113 H LYS 19 HN LYS 19 56.457 9.428 3.097 114 HA LYS 19 HA LYS 19 56.722 10.875 0.594 115 1HB LYS 19 HB2 LYS 19 58.775 9.269 0.905 116 2HB LYS 19 HB1 LYS 19 57.622 8.004 0.486 117 1HG LYS 19 HG2 LYS 19 58.868 8.907 -1.496 118 2HG LYS 19 HG1 LYS 19 57.118 9.080 -1.629 119 1HD LYS 19 HD2 LYS 19 58.268 11.379 -0.287 120 2HD LYS 19 HD1 LYS 19 59.033 11.126 -1.855 121 1HE LYS 19 HE2 LYS 19 56.187 10.711 -2.113 122 2HE LYS 19 HE1 LYS 19 56.500 12.296 -1.377 123 1HZ LYS 19 HZ1 LYS 19 58.129 12.749 -3.093 124 2HZ LYS 19 HZ2 LYS 19 56.626 12.400 -3.805 125 3HZ LYS 19 HZ3 LYS 19 57.858 11.230 -3.797 126 H SER 20 HN SER 20 54.782 10.636 -0.476 127 HA SER 20 HA SER 20 52.613 9.134 0.576 128 1HB SER 20 HB2 SER 20 53.297 10.671 -1.860 129 2HB SER 20 HB1 SER 20 51.984 9.513 -2.058 130 HG SER 20 HG SER 20 52.016 11.137 0.220 131 H THR 21 HN THR 21 51.509 7.721 -1.566 132 HA THR 21 HA THR 21 53.495 5.649 -2.350 133 HB THR 21 HB THR 21 51.393 4.131 -1.437 134 HG1 THR 21 HG1 THR 21 51.155 5.134 0.746 135 1HG2 THR 21 HG21 THR 21 53.362 4.826 0.646 136 2HG2 THR 21 HG22 THR 21 54.067 4.398 -0.914 137 3HG2 THR 21 HG23 THR 21 53.000 3.262 -0.088 138 H LEU 22 HN LEU 22 52.535 4.131 -3.975 139 HA LEU 22 HA LEU 22 50.572 5.555 -5.691 140 1HB LEU 22 HB2 LEU 22 52.873 3.825 -6.000 141 2HB LEU 22 HB1 LEU 22 51.497 3.174 -6.894 142 HG LEU 22 HG LEU 22 51.230 5.734 -7.609 143 1HD1 LEU 22 HD1 LEU 22 54.078 5.907 -7.928 144 2HD1 LEU 22 HD1 LEU 22 53.712 5.700 -6.216 145 3HD1 LEU 22 HD1 LEU 22 52.997 7.037 -7.116 146 1HD2 LEU 22 HD2 LEU 22 53.303 4.813 -9.300 147 2HD2 LEU 22 HD2 LEU 22 51.566 4.641 -9.553 148 3HD2 LEU 22 HD2 LEU 22 52.467 3.370 -8.725 149 H THR 23 HN THR 23 50.996 2.041 -5.490 150 HA THR 23 HA THR 23 48.445 1.602 -4.118 151 HB THR 23 HB THR 23 48.649 0.915 -7.060 152 HG1 THR 23 HG1 THR 23 47.024 2.980 -6.164 153 1HG2 THR 23 HG21 THR 23 47.018 -0.234 -5.381 154 2HG2 THR 23 HG22 THR 23 46.375 0.364 -6.910 155 3HG2 THR 23 HG23 THR 23 46.149 1.299 -5.432 156 H ASN 24 HN ASN 24 51.380 0.639 -4.243 157 HA ASN 24 HA ASN 24 50.741 -2.224 -3.888 158 1HB ASN 24 HB2 ASN 24 52.325 -1.055 -6.163 159 2HB ASN 24 HB1 ASN 24 52.713 -2.670 -5.569 160 1HD2 ASN 24 HD2 ASN 24 50.365 -0.787 -7.361 161 2HD2 ASN 24 HD2 ASN 24 49.340 -2.081 -7.757 162 H CYS 25 HN CYS 25 51.489 -1.331 -1.692 163 HA CYS 25 HA CYS 25 54.387 -1.867 -1.388 164 1HB CYS 25 HB2 CYS 25 53.305 0.753 -1.664 165 2HB CYS 25 HB1 CYS 25 53.790 0.562 0.021 166 H TYR 26 HN TYR 26 54.630 -3.028 0.434 167 HA TYR 26 HA TYR 26 52.783 -2.563 2.742 168 1HB TYR 26 HB2 TYR 26 51.897 -4.484 1.616 169 2HB TYR 26 HB1 TYR 26 53.508 -5.134 1.315 170 HD1 TYR 26 HD1 TYR 26 52.787 -7.284 2.368 171 HD2 TYR 26 HD2 TYR 26 52.863 -3.590 4.556 172 HE1 TYR 26 HE1 TYR 26 52.695 -8.546 4.499 173 HE2 TYR 26 HE2 TYR 26 52.768 -4.852 6.689 174 HH TYR 26 HH TYR 26 51.946 -7.138 7.437 175 H VAL 27 HN VAL 27 54.538 -1.482 3.809 176 HA VAL 27 HA VAL 27 57.095 -2.945 4.132 177 HB VAL 27 HB VAL 27 56.263 -0.269 5.295 178 1HG1 VAL 27 HG11 VAL 27 58.672 -1.784 5.230 179 2HG1 VAL 27 HG12 VAL 27 58.424 -0.166 5.883 180 3HG1 VAL 27 HG13 VAL 27 58.911 -0.373 4.199 181 1HG2 VAL 27 HG21 VAL 27 55.820 0.370 3.156 182 2HG2 VAL 27 HG22 VAL 27 56.599 -1.057 2.472 183 3HG2 VAL 27 HG23 VAL 27 57.571 0.335 2.952 184 H ASP 28 HN ASP 28 58.012 -3.101 6.374 185 HA ASP 28 HA ASP 28 55.949 -3.318 8.532 186 1HB ASP 28 HB2 ASP 28 56.830 -5.458 7.126 187 2HB ASP 28 HB1 ASP 28 58.084 -5.384 8.366 188 H LYS 29 HN LYS 29 56.717 -1.955 10.152 189 HA LYS 29 HA LYS 29 58.287 -0.680 11.409 190 1HB LYS 29 HB2 LYS 29 58.191 -3.016 12.358 191 2HB LYS 29 HB1 LYS 29 59.610 -3.412 11.388 192 1HG LYS 29 HG2 LYS 29 60.504 -1.155 12.571 193 2HG LYS 29 HG1 LYS 29 59.396 -1.720 13.822 194 1HD LYS 29 HD2 LYS 29 60.710 -4.038 13.079 195 2HD LYS 29 HD1 LYS 29 61.983 -2.820 12.990 196 1HE LYS 29 HE2 LYS 29 61.047 -2.045 15.320 197 2HE LYS 29 HE1 LYS 29 60.360 -3.680 15.376 198 1HZ LYS 29 HZ1 LYS 29 62.431 -4.657 15.190 199 2HZ LYS 29 HZ2 LYS 29 62.769 -3.326 16.192 200 3HZ LYS 29 HZ3 LYS 29 63.156 -3.269 14.538 201 H SER 30 HN SER 30 58.922 0.374 9.196 202 HA SER 30 HA SER 30 61.828 -0.189 8.687 203 1HB SER 30 HB2 SER 30 59.880 0.742 6.587 204 2HB SER 30 HB1 SER 30 61.425 -0.079 6.367 205 HG SER 30 HG SER 30 60.171 -1.774 7.740 206 H GLU 31 HN GLU 31 62.569 1.787 7.133 207 HA GLU 31 HA GLU 31 61.463 4.359 8.161 208 1HB GLU 31 HB2 GLU 31 63.390 3.362 9.569 209 2HB GLU 31 HB1 GLU 31 64.420 3.743 8.189 210 1HG GLU 31 HG2 GLU 31 64.620 5.789 9.152 211 2HG GLU 31 HG1 GLU 31 63.007 6.080 8.501 212 H VAL 32 HN VAL 32 60.832 5.049 6.076 213 HA VAL 32 HA VAL 32 62.963 5.055 3.969 214 HB VAL 32 HB VAL 32 61.107 5.098 2.400 215 1HG1 VAL 32 HG11 VAL 32 61.509 2.871 3.053 216 2HG1 VAL 32 HG12 VAL 32 59.774 3.054 3.315 217 3HG1 VAL 32 HG13 VAL 32 60.884 3.136 4.683 218 1HG2 VAL 32 HG21 VAL 32 58.917 4.852 4.295 219 2HG2 VAL 32 HG22 VAL 32 59.091 5.958 2.930 220 3HG2 VAL 32 HG23 VAL 32 59.769 6.383 4.501 221 H TYR 33 HN TYR 33 63.299 7.048 2.804 222 HA TYR 33 HA TYR 33 62.176 9.488 4.153 223 1HB TYR 33 HB2 TYR 33 64.647 8.684 4.507 224 2HB TYR 33 HB1 TYR 33 64.902 9.316 2.882 225 HD1 TYR 33 HD1 TYR 33 62.589 11.484 3.368 226 HD2 TYR 33 HD2 TYR 33 66.208 10.395 5.411 227 HE1 TYR 33 HE1 TYR 33 62.762 13.780 4.285 228 HE2 TYR 33 HE2 TYR 33 66.380 12.693 6.329 229 HH TYR 33 HH TYR 33 63.890 14.834 6.397 230 H GLY 34 HN GLY 34 60.590 9.855 2.484 231 1HA GLY 34 HA2 GLY 34 59.846 10.700 0.422 232 2HA GLY 34 HA1 GLY 34 61.483 11.321 0.207 233 H THR 35 HN THR 35 60.318 7.959 0.503 234 HA THR 35 HA THR 35 61.817 7.324 -1.999 235 HB THR 35 HB THR 35 60.796 5.761 0.379 236 HG1 THR 35 HG1 THR 35 62.803 6.858 0.514 237 1HG2 THR 35 HG21 THR 35 60.372 4.213 -1.325 238 2HG2 THR 35 HG22 THR 35 62.031 3.828 -0.869 239 3HG2 THR 35 HG23 THR 35 61.715 4.789 -2.313 240 H THR 36 HN THR 36 60.770 6.282 -3.733 241 HA THR 36 HA THR 36 57.834 6.628 -3.846 242 HB THR 36 HB THR 36 59.171 7.427 -5.696 243 HG1 THR 36 HG1 THR 36 58.424 5.834 -7.354 244 1HG2 THR 36 HG21 THR 36 61.205 6.349 -5.715 245 2HG2 THR 36 HG22 THR 36 60.402 5.435 -6.993 246 3HG2 THR 36 HG23 THR 36 60.492 4.775 -5.360 247 H CYS 37 HN CYS 37 56.456 4.839 -4.619 248 HA CYS 37 HA CYS 37 57.489 2.161 -3.750 249 1HB CYS 37 HB2 CYS 37 54.981 3.704 -3.401 250 2HB CYS 37 HB1 CYS 37 54.770 1.980 -3.703 251 H THR 38 HN THR 38 54.588 2.990 -5.623 252 HA THR 38 HA THR 38 53.951 2.388 -7.824 253 HB THR 38 HB THR 38 56.825 1.605 -8.289 254 HG1 THR 38 HG1 THR 38 57.404 3.519 -7.711 255 1HG2 THR 38 HG21 THR 38 56.408 2.286 -10.501 256 2HG2 THR 38 HG22 THR 38 55.027 3.277 -10.032 257 3HG2 THR 38 HG23 THR 38 54.892 1.520 -10.024 258 H GLY 39 HN GLY 39 56.648 0.127 -7.139 259 1HA GLY 39 HA2 GLY 39 54.761 -2.092 -6.739 260 2HA GLY 39 HA1 GLY 39 55.724 -2.195 -8.214 261 H SER 40 HN SER 40 55.714 -2.735 -4.836 262 HA SER 40 HA SER 40 58.235 -4.146 -4.864 263 1HB SER 40 HB2 SER 40 59.557 -2.308 -4.774 264 2HB SER 40 HB1 SER 40 58.197 -1.243 -4.447 265 HG SER 40 HG SER 40 58.321 -1.843 -2.277 266 H ARG 41 HN ARG 41 58.966 -4.393 -2.391 267 HA ARG 41 HA ARG 41 56.648 -4.230 -0.534 268 1HB ARG 41 HB2 ARG 41 56.278 -6.365 -1.487 269 2HB ARG 41 HB1 ARG 41 58.004 -6.721 -1.568 270 1HG ARG 41 HG2 ARG 41 56.786 -7.922 0.292 271 2HG ARG 41 HG1 ARG 41 58.146 -6.939 0.832 272 1HD ARG 41 HD2 ARG 41 56.783 -5.644 2.111 273 2HD ARG 41 HD1 ARG 41 55.702 -5.353 0.732 274 HE ARG 41 HE ARG 41 55.119 -7.185 2.807 275 1HH1 ARG 41 HH2 ARG 41 53.862 -6.342 -0.058 276 2HH1 ARG 41 HH2 ARG 41 53.374 -7.920 -0.574 277 1HH2 ARG 41 HH1 ARG 41 55.159 -9.572 1.898 278 2HH2 ARG 41 HH1 ARG 41 54.109 -9.751 0.532 279 H PHE 42 HN PHE 42 57.422 -3.554 1.430 280 HA PHE 42 HA PHE 42 60.353 -3.921 1.971 281 1HB PHE 42 HB2 PHE 42 58.260 -1.890 2.696 282 2HB PHE 42 HB1 PHE 42 59.708 -2.049 3.686 283 HD1 PHE 42 HD1 PHE 42 61.123 -0.270 3.211 284 HD2 PHE 42 HD2 PHE 42 59.181 -2.329 -0.019 285 HE1 PHE 42 HE1 PHE 42 62.407 1.078 1.572 286 HE2 PHE 42 HE2 PHE 42 60.469 -0.988 -1.658 287 HZ PHE 42 HZ PHE 42 62.086 0.718 -0.863 288 H ASP 43 HN ASP 43 60.796 -4.047 4.443 289 HA ASP 43 HA ASP 43 58.848 -5.007 6.296 290 1HB ASP 43 HB2 ASP 43 59.269 -6.782 4.243 291 2HB ASP 43 HB1 ASP 43 60.420 -7.362 5.449 292 H GLY 44 HN GLY 44 60.121 -3.860 7.811 293 1HA GLY 44 HA2 GLY 44 61.831 -3.615 9.404 294 2HA GLY 44 HA1 GLY 44 62.342 -5.255 8.995 295 H VAL 45 HN VAL 45 62.355 -1.983 7.533 296 HA VAL 45 HA VAL 45 65.213 -2.408 6.802 297 HB VAL 45 HB VAL 45 62.820 -2.161 5.022 298 1HG1 VAL 45 HG11 VAL 45 63.711 -0.437 3.860 299 2HG1 VAL 45 HG12 VAL 45 64.934 -1.589 3.319 300 3HG1 VAL 45 HG13 VAL 45 65.255 -0.554 4.709 301 1HG2 VAL 45 HG21 VAL 45 65.218 -3.437 3.982 302 2HG2 VAL 45 HG22 VAL 45 63.620 -4.129 4.257 303 3HG2 VAL 45 HG23 VAL 45 64.794 -4.073 5.571 304 H THR 46 HN THR 46 66.359 -0.444 6.559 305 HA THR 46 HA THR 46 64.832 2.054 7.217 306 HB THR 46 HB THR 46 67.545 1.030 8.096 307 HG1 THR 46 HG1 THR 46 66.602 1.356 10.133 308 1HG2 THR 46 HG21 THR 46 68.273 3.149 8.229 309 2HG2 THR 46 HG22 THR 46 66.916 3.540 9.285 310 3HG2 THR 46 HG23 THR 46 66.753 3.722 7.536 311 H ILE 47 HN ILE 47 64.681 2.570 4.943 312 HA ILE 47 HA ILE 47 67.296 3.107 3.574 313 HB ILE 47 HB ILE 47 65.865 2.876 1.523 314 1HG1 ILE 47 HG12 ILE 47 63.626 1.628 2.845 315 2HG1 ILE 47 HG11 ILE 47 63.825 3.275 3.444 316 1HG2 ILE 47 HG21 ILE 47 66.445 0.812 3.509 317 2HG2 ILE 47 HG22 ILE 47 66.645 0.766 1.757 318 3HG2 ILE 47 HG23 ILE 47 65.082 0.380 2.477 319 1HD1 ILE 47 HD1 ILE 47 62.364 3.124 1.402 320 2HD1 ILE 47 HD1 ILE 47 63.765 2.542 0.502 321 3HD1 ILE 47 HD1 ILE 47 63.771 4.167 1.190 322 H THR 48 HN THR 48 67.145 5.038 2.023 323 HA THR 48 HA THR 48 65.494 7.217 3.263 324 HB THR 48 HB THR 48 68.071 7.181 3.424 325 HG1 THR 48 HG1 THR 48 68.081 9.480 2.667 326 1HG2 THR 48 HG21 THR 48 69.352 7.650 1.516 327 2HG2 THR 48 HG22 THR 48 67.954 8.217 0.603 328 3HG2 THR 48 HG23 THR 48 68.165 6.494 0.912 329 H THR 49 HN THR 49 65.822 9.132 1.262 330 HA THR 49 HA THR 49 63.810 8.605 -0.610 331 HB THR 49 HB THR 49 66.242 10.249 -1.290 332 HG1 THR 49 HG1 THR 49 64.868 11.803 0.124 333 1HG2 THR 49 HG21 THR 49 63.345 11.056 -1.403 334 2HG2 THR 49 HG22 THR 49 64.051 10.059 -2.676 335 3HG2 THR 49 HG23 THR 49 64.699 11.667 -2.353 336 H SER 50 HN SER 50 64.033 6.482 -1.547 337 HA SER 50 HA SER 50 66.267 6.291 -3.544 338 1HB SER 50 HB2 SER 50 66.135 3.782 -2.926 339 2HB SER 50 HB1 SER 50 66.889 4.864 -1.759 340 HG SER 50 HG SER 50 65.112 4.767 -0.510 341 H THR 51 HN THR 51 65.654 5.630 -5.555 342 HA THR 51 HA THR 51 62.775 5.244 -6.093 343 HB THR 51 HB THR 51 65.179 5.259 -7.951 344 HG1 THR 51 HG1 THR 51 64.278 7.203 -6.423 345 1HG2 THR 51 HG21 THR 51 62.466 4.737 -8.411 346 2HG2 THR 51 HG22 THR 51 63.688 5.108 -9.627 347 3HG2 THR 51 HG23 THR 51 62.704 6.403 -8.941 348 H SER 52 HN SER 52 64.034 3.141 -4.576 349 HA SER 52 HA SER 52 64.390 0.926 -6.542 350 1HB SER 52 HB2 SER 52 65.469 1.698 -3.975 351 2HB SER 52 HB1 SER 52 64.767 0.088 -3.859 352 HG SER 52 HG SER 52 66.365 0.753 -6.069 353 H THR 53 HN THR 53 62.310 0.230 -7.081 354 HA THR 53 HA THR 53 60.702 -0.888 -4.842 355 HB THR 53 HB THR 53 58.766 0.341 -5.436 356 HG1 THR 53 HG1 THR 53 58.792 0.120 -7.629 357 1HG2 THR 53 HG21 THR 53 60.409 1.768 -4.306 358 2HG2 THR 53 HG22 THR 53 59.494 2.712 -5.480 359 3HG2 THR 53 HG23 THR 53 61.134 2.188 -5.857 360 H GLY 54 HN GLY 54 61.131 -3.005 -5.656 361 1HA GLY 54 HA2 GLY 54 59.528 -3.757 -8.001 362 2HA GLY 54 HA1 GLY 54 61.263 -4.025 -8.179 363 H SER 55 HN SER 55 62.083 -4.968 -5.806 364 HA SER 55 HA SER 55 60.543 -7.506 -5.526 365 1HB SER 55 HB2 SER 55 62.861 -8.100 -4.431 366 2HB SER 55 HB1 SER 55 62.743 -7.952 -6.178 367 HG SER 55 HG SER 55 63.741 -6.104 -4.291 368 H ARG 56 HN ARG 56 61.617 -8.359 -3.095 369 HA ARG 56 HA ARG 56 60.163 -6.613 -1.178 370 1HB ARG 56 HB2 ARG 56 61.212 -9.450 -1.200 371 2HB ARG 56 HB1 ARG 56 60.565 -8.709 0.266 372 1HG ARG 56 HG2 ARG 56 58.407 -8.678 -0.534 373 2HG ARG 56 HG1 ARG 56 58.920 -8.486 -2.211 374 1HD ARG 56 HD2 ARG 56 57.963 -10.740 -1.861 375 2HD ARG 56 HD1 ARG 56 59.700 -10.867 -2.207 376 HE ARG 56 HE ARG 56 60.014 -10.926 0.324 377 1HH1 ARG 56 HH1 ARG 56 57.047 -10.437 0.858 378 2HH1 ARG 56 HH1 ARG 56 56.515 -12.035 1.259 379 1HH2 ARG 56 HH2 ARG 56 59.336 -13.584 -0.031 380 2HH2 ARG 56 HH2 ARG 56 57.811 -13.818 0.756 381 H ILE 57 HN ILE 57 61.248 -5.519 0.473 382 HA ILE 57 HA ILE 57 64.223 -5.909 0.616 383 HB ILE 57 HB ILE 57 62.391 -3.560 0.499 384 1HG1 ILE 57 HG12 ILE 57 64.243 -4.602 -1.179 385 2HG1 ILE 57 HG11 ILE 57 63.812 -2.895 -1.172 386 1HG2 ILE 57 HG21 ILE 57 63.305 -3.166 2.692 387 2HG2 ILE 57 HG22 ILE 57 64.165 -2.115 1.567 388 3HG2 ILE 57 HG23 ILE 57 64.929 -3.595 2.150 389 1HD1 ILE 57 HD1 ILE 57 65.993 -3.885 0.653 390 2HD1 ILE 57 HD1 ILE 57 65.759 -2.271 -0.027 391 3HD1 ILE 57 HD1 ILE 57 66.344 -3.585 -1.051 392 H SER 58 HN SER 58 64.971 -6.568 2.591 393 HA SER 58 HA SER 58 63.446 -5.874 5.055 394 1HB SER 58 HB2 SER 58 62.521 -7.962 4.858 395 2HB SER 58 HB1 SER 58 63.780 -8.518 3.759 396 HG SER 58 HG SER 58 64.884 -9.241 5.405 397 H GLY 59 HN GLY 59 64.793 -6.120 7.009 398 1HA GLY 59 HA2 GLY 59 67.407 -7.110 7.146 399 2HA GLY 59 HA1 GLY 59 67.574 -5.456 6.556 400 HA PRO 60 HA PRO 60 66.266 -5.663 11.195 401 1HB PRO 60 HB2 PRO 60 68.357 -6.831 12.526 402 2HB PRO 60 HB1 PRO 60 66.928 -7.739 11.988 403 1HG PRO 60 HG2 PRO 60 69.629 -7.549 10.746 404 2HG PRO 60 HG1 PRO 60 68.554 -8.947 10.902 405 1HD PRO 60 HD2 PRO 60 68.827 -7.527 8.596 406 2HD PRO 60 HD1 PRO 60 67.335 -8.385 9.042 407 H GLY 61 HN GLY 61 68.878 -4.838 9.257 408 1HA GLY 61 HA2 GLY 61 69.360 -2.350 10.641 409 2HA GLY 61 HA1 GLY 61 70.722 -3.463 10.814 410 H CYS 62 HN CYS 62 68.607 -3.357 7.994 411 HA CYS 62 HA CYS 62 70.856 -3.165 6.177 412 1HB CYS 62 HB2 CYS 62 68.886 -4.368 5.537 413 2HB CYS 62 HB1 CYS 62 67.841 -3.011 5.949 414 H LYS 63 HN LYS 63 71.505 -1.389 4.926 415 HA LYS 63 HA LYS 63 70.188 1.246 5.463 416 1HB LYS 63 HB2 LYS 63 72.778 0.273 6.297 417 2HB LYS 63 HB1 LYS 63 72.987 1.627 5.187 418 1HG LYS 63 HG2 LYS 63 72.684 2.863 7.089 419 2HG LYS 63 HG1 LYS 63 70.979 2.599 6.721 420 1HD LYS 63 HD2 LYS 63 70.717 1.024 8.387 421 2HD LYS 63 HD1 LYS 63 72.397 0.494 8.294 422 1HE LYS 63 HE2 LYS 63 71.390 3.082 9.534 423 2HE LYS 63 HE1 LYS 63 72.116 1.707 10.387 424 1HZ LYS 63 HZ1 LYS 63 73.395 3.779 8.853 425 2HZ LYS 63 HZ2 LYS 63 73.891 2.219 8.401 426 3HZ LYS 63 HZ3 LYS 63 74.054 2.733 10.011 427 H ILE 64 HN ILE 64 69.450 1.786 3.425 428 HA ILE 64 HA ILE 64 71.156 1.098 1.074 429 HB ILE 64 HB ILE 64 68.583 0.557 1.564 430 1HG1 ILE 64 HG12 ILE 64 69.530 1.489 -1.162 431 2HG1 ILE 64 HG11 ILE 64 69.948 -0.069 -0.447 432 1HG2 ILE 64 HG21 ILE 64 68.529 3.288 0.249 433 2HG2 ILE 64 HG22 ILE 64 67.856 2.868 1.822 434 3HG2 ILE 64 HG23 ILE 64 67.147 2.198 0.355 435 1HD1 ILE 64 HD1 ILE 64 68.031 -0.406 -1.885 436 2HD1 ILE 64 HD1 ILE 64 67.174 0.938 -1.128 437 3HD1 ILE 64 HD1 ILE 64 67.485 -0.539 -0.212 438 H SER 65 HN SER 65 71.011 2.813 -0.738 439 HA SER 65 HA SER 65 70.875 5.594 0.327 440 1HB SER 65 HB2 SER 65 73.151 5.421 0.529 441 2HB SER 65 HB1 SER 65 73.233 4.031 -0.550 442 HG SER 65 HG SER 65 72.936 6.767 -1.256 443 H THR 66 HN THR 66 69.085 6.027 -1.016 444 HA THR 66 HA THR 66 67.948 6.567 -2.994 445 HB THR 66 HB THR 66 69.303 7.730 -4.585 446 HG1 THR 66 HG1 THR 66 71.302 7.174 -5.042 447 1HG2 THR 66 HG21 THR 66 69.773 9.255 -3.012 448 2HG2 THR 66 HG22 THR 66 71.241 8.365 -2.606 449 3HG2 THR 66 HG23 THR 66 69.732 8.005 -1.769 450 H CYS 67 HN CYS 67 70.569 5.335 -4.949 451 HA CYS 67 HA CYS 67 70.742 3.377 -6.278 452 1HB CYS 67 HB2 CYS 67 68.405 2.278 -4.709 453 2HB CYS 67 HB1 CYS 67 69.769 1.404 -5.400 454 H ILE 68 HN ILE 68 68.806 1.777 -7.410 455 HA ILE 68 HA ILE 68 66.810 3.700 -8.554 456 HB ILE 68 HB ILE 68 68.995 3.134 -9.870 457 1HG1 ILE 68 HG12 ILE 68 67.010 2.532 -11.826 458 2HG1 ILE 68 HG11 ILE 68 66.282 3.624 -10.647 459 1HG2 ILE 68 HG21 ILE 68 69.232 1.056 -10.820 460 2HG2 ILE 68 HG22 ILE 68 67.493 0.782 -10.910 461 3HG2 ILE 68 HG23 ILE 68 68.341 0.571 -9.378 462 1HD1 ILE 68 HD1 ILE 68 68.820 4.063 -12.237 463 2HD1 ILE 68 HD1 ILE 68 68.353 5.075 -10.870 464 3HD1 ILE 68 HD1 ILE 68 67.331 5.008 -12.306 465 H ILE 69 HN ILE 69 65.432 2.017 -10.207 466 HA ILE 69 HA ILE 69 63.551 0.681 -8.701 467 HB ILE 69 HB ILE 69 64.729 -0.080 -11.391 468 1HG1 ILE 69 HG12 ILE 69 62.142 1.301 -11.264 469 2HG1 ILE 69 HG11 ILE 69 63.467 2.256 -10.599 470 1HG2 ILE 69 HG21 ILE 69 63.404 -1.933 -10.663 471 2HG2 ILE 69 HG22 ILE 69 62.377 -1.001 -11.751 472 3HG2 ILE 69 HG23 ILE 69 62.158 -0.871 -10.006 473 1HD1 ILE 69 HD1 ILE 69 62.963 2.353 -13.181 474 2HD1 ILE 69 HD1 ILE 69 63.852 0.830 -13.212 475 3HD1 ILE 69 HD1 ILE 69 64.633 2.295 -12.617 476 H THR 70 HN THR 70 63.196 -1.756 -8.491 477 HA THR 70 HA THR 70 65.759 -3.246 -8.083 478 HB THR 70 HB THR 70 63.548 -3.498 -6.088 479 HG1 THR 70 HG1 THR 70 65.306 -1.294 -6.346 480 1HG2 THR 70 HG21 THR 70 65.185 -4.496 -4.908 481 2HG2 THR 70 HG22 THR 70 66.263 -3.117 -5.130 482 3HG2 THR 70 HG23 THR 70 66.190 -4.386 -6.353 483 H GLY 71 HN GLY 71 63.948 -5.306 -6.686 484 1HA GLY 71 HA2 GLY 71 62.128 -6.804 -7.470 485 2HA GLY 71 HA1 GLY 71 62.581 -6.383 -9.121 486 H GLY 72 HN GLY 72 64.666 -7.274 -6.371 487 1HA GLY 72 HA2 GLY 72 66.238 -9.004 -6.174 488 2HA GLY 72 HA1 GLY 72 65.213 -9.941 -7.269 489 H VAL 73 HN VAL 73 66.135 -6.843 -8.376 490 HA VAL 73 HA VAL 73 68.129 -8.098 -10.240 491 HB VAL 73 HB VAL 73 67.328 -6.156 -11.717 492 1HG1 VAL 73 HG11 VAL 73 65.158 -8.090 -10.869 493 2HG1 VAL 73 HG12 VAL 73 66.549 -8.578 -11.837 494 3HG1 VAL 73 HG13 VAL 73 65.410 -7.388 -12.468 495 1HG2 VAL 73 HG21 VAL 73 66.331 -5.023 -9.584 496 2HG2 VAL 73 HG22 VAL 73 64.963 -6.106 -9.845 497 3HG2 VAL 73 HG23 VAL 73 65.413 -4.937 -11.088 498 HA PRO 74 HA PRO 74 71.086 -5.238 -8.668 499 1HB PRO 74 HB2 PRO 74 72.765 -5.103 -10.827 500 2HB PRO 74 HB1 PRO 74 72.690 -6.510 -9.748 501 1HG PRO 74 HG2 PRO 74 71.476 -6.119 -12.436 502 2HG PRO 74 HG1 PRO 74 72.210 -7.566 -11.728 503 1HD PRO 74 HD2 PRO 74 69.513 -7.170 -11.914 504 2HD PRO 74 HD1 PRO 74 70.279 -8.188 -10.675 505 H ALA 75 HN ALA 75 70.103 -4.651 -12.064 506 HA ALA 75 HA ALA 75 69.482 -2.642 -13.144 507 1HB ALA 75 HB1 ALA 75 69.116 -1.053 -10.748 508 2HB ALA 75 HB2 ALA 75 68.460 -2.673 -10.512 509 3HB ALA 75 HB3 ALA 75 67.893 -1.680 -11.855 510 HA PRO 76 HA PRO 76 72.951 0.046 -13.138 511 1HB PRO 76 HB2 PRO 76 71.881 2.517 -13.621 512 2HB PRO 76 HB1 PRO 76 71.954 1.240 -14.852 513 1HG PRO 76 HG2 PRO 76 69.661 2.133 -13.187 514 2HG PRO 76 HG1 PRO 76 69.692 1.592 -14.873 515 1HD PRO 76 HD2 PRO 76 68.878 0.030 -12.771 516 2HD PRO 76 HD1 PRO 76 69.517 -0.610 -14.301 517 H SER 77 HN SER 77 72.368 -0.514 -10.509 518 HA SER 77 HA SER 77 72.453 2.156 -9.137 519 1HB SER 77 HB2 SER 77 71.854 0.155 -7.267 520 2HB SER 77 HB1 SER 77 70.705 1.269 -8.000 521 HG SER 77 HG SER 77 71.360 -1.374 -8.710 522 H ALA 78 HN ALA 78 74.669 0.329 -10.305 523 HA ALA 78 HA ALA 78 76.189 -0.939 -8.315 524 1HB ALA 78 HB1 ALA 78 76.517 -0.476 -10.901 525 2HB ALA 78 HB2 ALA 78 77.926 -0.749 -9.876 526 3HB ALA 78 HB3 ALA 78 77.470 0.894 -10.328 527 H ALA 79 HN ALA 79 75.481 2.431 -8.758 528 HA ALA 79 HA ALA 79 77.624 3.410 -6.997 529 1HB ALA 79 HB1 ALA 79 75.974 5.496 -7.363 530 2HB ALA 79 HB2 ALA 79 75.375 4.464 -8.662 531 3HB ALA 79 HB3 ALA 79 77.070 4.956 -8.634 532 H CYS 80 HN CYS 80 74.571 1.986 -6.580 533 HA CYS 80 HA CYS 80 73.581 3.488 -4.318 534 1HB CYS 80 HB2 CYS 80 72.088 2.153 -5.624 535 2HB CYS 80 HB1 CYS 80 73.119 0.731 -5.477 536 H LYS 81 HN LYS 81 73.757 2.954 -2.088 537 HA LYS 81 HA LYS 81 76.042 1.137 -1.407 538 1HB LYS 81 HB2 LYS 81 75.150 3.812 -0.607 539 2HB LYS 81 HB1 LYS 81 75.486 2.770 0.776 540 1HG LYS 81 HG2 LYS 81 77.611 3.597 0.377 541 2HG LYS 81 HG1 LYS 81 77.649 2.161 -0.645 542 1HD LYS 81 HD2 LYS 81 76.470 4.171 -2.225 543 2HD LYS 81 HD1 LYS 81 77.832 4.946 -1.417 544 1HE LYS 81 HE2 LYS 81 78.961 2.559 -2.147 545 2HE LYS 81 HE1 LYS 81 77.842 2.845 -3.495 546 1HZ LYS 81 HZ1 LYS 81 78.680 5.182 -3.521 547 2HZ LYS 81 HZ2 LYS 81 79.832 4.023 -3.985 548 3HZ LYS 81 HZ3 LYS 81 79.893 4.710 -2.433 549 H ILE 82 HN ILE 82 75.023 -0.827 -0.946 550 HA ILE 82 HA ILE 82 72.790 -0.738 1.058 551 HB ILE 82 HB ILE 82 72.378 -1.491 -1.376 552 1HG1 ILE 82 HG12 ILE 82 71.603 -3.833 0.175 553 2HG1 ILE 82 HG11 ILE 82 71.333 -2.340 1.075 554 1HG2 ILE 82 HG21 ILE 82 73.216 -3.547 -2.110 555 2HG2 ILE 82 HG22 ILE 82 73.568 -4.100 -0.472 556 3HG2 ILE 82 HG23 ILE 82 74.596 -2.885 -1.234 557 1HD1 ILE 82 HD1 ILE 82 69.888 -3.386 -1.227 558 2HD1 ILE 82 HD1 ILE 82 70.470 -1.747 -1.515 559 3HD1 ILE 82 HD1 ILE 82 69.440 -2.085 -0.125 560 H SER 83 HN SER 83 73.371 -1.627 2.999 561 HA SER 83 HA SER 83 75.419 -3.811 3.004 562 1HB SER 83 HB2 SER 83 75.761 -1.156 3.828 563 2HB SER 83 HB1 SER 83 75.518 -2.051 5.325 564 HG SER 83 HG SER 83 77.129 -3.545 4.474 565 H GLY 84 HN GLY 84 74.575 -5.575 4.024 566 1HA GLY 84 HA2 GLY 84 73.402 -6.847 5.619 567 2HA GLY 84 HA1 GLY 84 73.159 -5.363 6.542 568 H CYS 85 HN CYS 85 72.082 -6.674 3.381 569 HA CYS 85 HA CYS 85 69.281 -5.992 4.178 570 1HB CYS 85 HB2 CYS 85 70.608 -5.347 1.526 571 2HB CYS 85 HB1 CYS 85 68.969 -4.911 2.009 572 H THR 86 HN THR 86 67.725 -7.395 3.295 573 HA THR 86 HA THR 86 68.755 -9.628 1.577 574 HB THR 86 HB THR 86 66.568 -10.093 3.552 575 HG1 THR 86 HG1 THR 86 67.751 -9.518 5.164 576 1HG2 THR 86 HG21 THR 86 67.602 -11.798 1.950 577 2HG2 THR 86 HG22 THR 86 67.515 -12.274 3.646 578 3HG2 THR 86 HG23 THR 86 69.044 -11.719 2.963 579 H PHE 87 HN PHE 87 67.732 -9.289 -0.374 580 HA PHE 87 HA PHE 87 64.768 -8.950 -0.335 581 1HB PHE 87 HB2 PHE 87 65.374 -7.278 -2.345 582 2HB PHE 87 HB1 PHE 87 65.288 -6.724 -0.676 583 HD1 PHE 87 HD1 PHE 87 67.784 -8.382 -2.952 584 HD2 PHE 87 HD2 PHE 87 67.050 -5.429 0.083 585 HE1 PHE 87 HE1 PHE 87 70.163 -7.690 -3.053 586 HE2 PHE 87 HE2 PHE 87 69.430 -4.739 -0.018 587 HZ PHE 87 HZ PHE 87 70.986 -5.868 -1.585 588 H SER 88 HN SER 88 63.780 -9.517 -2.428 589 HA SER 88 HA SER 88 65.290 -10.622 -4.617 590 1HB SER 88 HB2 SER 88 64.093 -12.984 -3.630 591 2HB SER 88 HB1 SER 88 65.815 -12.624 -3.707 592 HG SER 88 HG SER 88 63.996 -12.334 -1.583 593 H ALA 89 HN ALA 89 63.700 -9.509 -5.847 594 HA ALA 89 HA ALA 89 61.615 -9.194 -6.916 595 1HB ALA 89 HB1 ALA 89 62.253 -11.999 -6.614 596 2HB ALA 89 HB2 ALA 89 61.480 -11.175 -7.969 597 3HB ALA 89 HB3 ALA 89 60.505 -11.765 -6.623 598 H ASN 90 HN ASN 90 59.152 -9.509 -6.552 599 HA ASN 90 HA ASN 90 58.509 -9.632 -3.632 600 1HB ASN 90 HB2 ASN 90 57.382 -7.531 -3.785 601 2HB ASN 90 HB1 ASN 90 58.916 -7.293 -4.625 602 1HD2 ASN 90 HD2 ASN 90 56.509 -5.738 -5.176 603 2HD2 ASN 90 HD2 ASN 90 56.048 -6.073 -6.775 Start of MODEL 2 1 1H ASP 1 HT1 ASP 1 44.126 9.263 1.549 2 2H ASP 1 HT2 ASP 1 44.068 10.941 1.810 3 3H ASP 1 HT3 ASP 1 43.346 9.880 2.923 4 HA ASP 1 HA ASP 1 46.216 9.559 2.406 5 1HB ASP 1 HB2 ASP 1 44.886 11.785 3.983 6 2HB ASP 1 HB1 ASP 1 46.605 11.399 4.072 7 H GLY 2 HN GLY 2 46.939 8.073 3.897 8 1HA GLY 2 HA2 GLY 2 45.088 7.400 6.146 9 2HA GLY 2 HA1 GLY 2 46.180 6.242 5.385 10 H SER 3 HN SER 3 45.869 8.633 7.836 11 HA SER 3 HA SER 3 47.333 9.205 9.599 12 1HB SER 3 HB2 SER 3 48.136 7.192 10.237 13 2HB SER 3 HB1 SER 3 48.078 6.595 8.583 14 HG SER 3 HG SER 3 50.213 6.744 9.644 15 H CYS 4 HN CYS 4 49.629 8.164 7.045 16 HA CYS 4 HA CYS 4 50.593 10.998 6.900 17 1HB CYS 4 HB2 CYS 4 51.836 9.045 8.298 18 2HB CYS 4 HB1 CYS 4 52.557 8.767 6.717 19 H THR 5 HN THR 5 51.720 7.976 5.346 20 HA THR 5 HA THR 5 50.898 9.130 2.704 21 HB THR 5 HB THR 5 53.383 9.261 3.397 22 HG1 THR 5 HG1 THR 5 53.984 8.803 1.313 23 1HG2 THR 5 HG21 THR 5 53.637 6.426 2.528 24 2HG2 THR 5 HG22 THR 5 53.075 6.700 4.178 25 3HG2 THR 5 HG23 THR 5 54.630 7.350 3.657 26 H ASN 6 HN ASN 6 49.160 7.423 3.907 27 HA ASN 6 HA ASN 6 49.596 4.848 2.438 28 1HB ASN 6 HB2 ASN 6 49.360 5.418 5.281 29 2HB ASN 6 HB1 ASN 6 48.108 4.295 4.751 30 1HD2 ASN 6 HD2 ASN 6 51.269 4.495 3.152 31 2HD2 ASN 6 HD2 ASN 6 51.814 2.969 3.659 32 H THR 7 HN THR 7 48.128 6.278 0.933 33 HA THR 7 HA THR 7 45.275 6.232 1.806 34 HB THR 7 HB THR 7 46.142 8.307 0.852 35 HG1 THR 7 HG1 THR 7 44.593 8.559 -0.667 36 1HG2 THR 7 HG21 THR 7 46.813 8.113 -1.679 37 2HG2 THR 7 HG22 THR 7 47.161 6.435 -1.261 38 3HG2 THR 7 HG23 THR 7 48.003 7.744 -0.431 39 H ASN 8 HN ASN 8 47.065 3.888 0.941 40 HA ASN 8 HA ASN 8 45.171 2.240 -0.321 41 1HB ASN 8 HB2 ASN 8 46.481 4.191 -2.062 42 2HB ASN 8 HB1 ASN 8 46.675 2.537 -2.646 43 1HD2 ASN 8 HD2 ASN 8 45.050 4.260 -4.145 44 2HD2 ASN 8 HD2 ASN 8 43.422 3.818 -3.964 45 H SER 9 HN SER 9 48.494 3.008 0.372 46 HA SER 9 HA SER 9 49.340 0.203 -0.244 47 1HB SER 9 HB2 SER 9 51.078 2.568 0.474 48 2HB SER 9 HB1 SER 9 51.531 1.117 -0.413 49 HG SER 9 HG SER 9 51.170 2.965 -1.762 50 H GLN 10 HN GLN 10 51.553 0.159 1.529 51 HA GLN 10 HA GLN 10 50.343 0.496 4.244 52 1HB GLN 10 HB2 GLN 10 50.734 -1.925 2.738 53 2HB GLN 10 HB1 GLN 10 51.773 -1.959 4.164 54 1HG GLN 10 HG2 GLN 10 49.468 -0.978 5.241 55 2HG GLN 10 HG1 GLN 10 48.821 -2.030 3.981 56 1HE2 GLN 10 HE21 GLN 10 51.673 -2.311 6.189 57 2HE2 GLN 10 HE22 GLN 10 51.257 -3.854 6.760 58 H LEU 11 HN LEU 11 51.810 1.717 5.365 59 HA LEU 11 HA LEU 11 54.728 1.352 4.785 60 1HB LEU 11 HB2 LEU 11 53.576 3.581 4.406 61 2HB LEU 11 HB1 LEU 11 53.269 3.637 6.141 62 HG LEU 11 HG LEU 11 55.476 4.035 6.667 63 1HD1 LEU 11 HD1 LEU 11 56.108 2.452 4.182 64 2HD1 LEU 11 HD1 LEU 11 56.606 2.142 5.845 65 3HD1 LEU 11 HD1 LEU 11 57.341 3.463 4.936 66 1HD2 LEU 11 HD2 LEU 11 55.081 5.991 5.490 67 2HD2 LEU 11 HD2 LEU 11 54.864 5.145 3.956 68 3HD2 LEU 11 HD2 LEU 11 56.484 5.380 4.614 69 H SER 12 HN SER 12 52.780 -0.105 6.760 70 HA SER 12 HA SER 12 52.906 -0.914 8.977 71 1HB SER 12 HB2 SER 12 55.038 -1.696 8.206 72 2HB SER 12 HB1 SER 12 55.735 -0.086 8.298 73 HG SER 12 HG SER 12 55.449 -0.190 10.567 74 H ALA 13 HN ALA 13 51.728 0.485 10.294 75 HA ALA 13 HA ALA 13 52.024 3.173 10.836 76 1HB ALA 13 HB1 ALA 13 50.633 1.012 11.857 77 2HB ALA 13 HB2 ALA 13 50.486 2.671 12.436 78 3HB ALA 13 HB3 ALA 13 51.578 1.549 13.246 79 H ASN 14 HN ASN 14 54.169 0.600 11.875 80 HA ASN 14 HA ASN 14 55.532 2.269 13.881 81 1HB ASN 14 HB2 ASN 14 55.287 -0.504 13.097 82 2HB ASN 14 HB1 ASN 14 56.988 -0.074 13.266 83 1HD2 ASN 14 HD2 ASN 14 54.676 -1.458 15.054 84 2HD2 ASN 14 HD2 ASN 14 55.031 -0.831 16.590 85 H SER 15 HN SER 15 55.645 2.289 10.534 86 HA SER 15 HA SER 15 58.609 2.598 10.432 87 1HB SER 15 HB2 SER 15 58.374 1.711 8.359 88 2HB SER 15 HB1 SER 15 56.693 1.411 8.790 89 HG SER 15 HG SER 15 57.776 3.249 7.089 90 H LYS 16 HN LYS 16 58.777 4.356 8.262 91 HA LYS 16 HA LYS 16 57.787 6.904 9.497 92 1HB LYS 16 HB2 LYS 16 60.323 6.019 8.935 93 2HB LYS 16 HB1 LYS 16 59.951 6.955 7.488 94 1HG LYS 16 HG2 LYS 16 59.164 8.808 9.078 95 2HG LYS 16 HG1 LYS 16 59.963 7.893 10.359 96 1HD LYS 16 HD2 LYS 16 62.064 7.931 8.970 97 2HD LYS 16 HD1 LYS 16 61.243 9.028 7.859 98 1HE LYS 16 HE2 LYS 16 61.905 10.737 9.197 99 2HE LYS 16 HE1 LYS 16 60.815 10.098 10.444 100 1HZ LYS 16 HZ1 LYS 16 62.571 8.535 11.089 101 2HZ LYS 16 HZ2 LYS 16 63.067 10.148 11.285 102 3HZ LYS 16 HZ3 LYS 16 63.620 9.240 9.959 103 H CYS 17 HN CYS 17 57.258 8.645 7.913 104 HA CYS 17 HA CYS 17 56.285 7.568 5.286 105 1HB CYS 17 HB2 CYS 17 54.289 8.981 5.657 106 2HB CYS 17 HB1 CYS 17 54.500 7.835 6.982 107 H GLU 18 HN GLU 18 58.544 8.611 4.726 108 HA GLU 18 HA GLU 18 58.308 11.586 4.489 109 1HB GLU 18 HB2 GLU 18 60.360 9.794 5.234 110 2HB GLU 18 HB1 GLU 18 60.831 10.444 3.663 111 1HG GLU 18 HG2 GLU 18 60.208 12.751 4.638 112 2HG GLU 18 HG1 GLU 18 60.252 11.952 6.209 113 H LYS 19 HN LYS 19 56.655 10.382 2.684 114 HA LYS 19 HA LYS 19 57.801 11.163 0.127 115 1HB LYS 19 HB2 LYS 19 57.722 8.872 -0.850 116 2HB LYS 19 HB1 LYS 19 58.889 8.987 0.468 117 1HG LYS 19 HG2 LYS 19 57.270 8.020 2.027 118 2HG LYS 19 HG1 LYS 19 56.051 7.959 0.752 119 1HD LYS 19 HD2 LYS 19 58.724 6.573 0.497 120 2HD LYS 19 HD1 LYS 19 57.315 5.782 1.203 121 1HE LYS 19 HE2 LYS 19 56.110 5.835 -0.826 122 2HE LYS 19 HE1 LYS 19 57.146 7.104 -1.511 123 1HZ LYS 19 HZ1 LYS 19 59.029 5.518 -1.302 124 2HZ LYS 19 HZ2 LYS 19 57.850 5.033 -2.425 125 3HZ LYS 19 HZ3 LYS 19 57.917 4.304 -0.892 126 H SER 20 HN SER 20 56.161 10.146 -1.675 127 HA SER 20 HA SER 20 53.445 10.914 -0.724 128 1HB SER 20 HB2 SER 20 55.068 11.299 -3.055 129 2HB SER 20 HB1 SER 20 53.611 10.434 -3.538 130 HG SER 20 HG SER 20 53.918 13.014 -2.838 131 H THR 21 HN THR 21 55.225 8.214 -2.160 132 HA THR 21 HA THR 21 54.606 5.949 -2.436 133 HB THR 21 HB THR 21 52.349 6.761 -0.579 134 HG1 THR 21 HG1 THR 21 54.696 5.654 0.391 135 1HG2 THR 21 HG21 THR 21 52.258 4.485 -1.622 136 2HG2 THR 21 HG22 THR 21 52.421 4.445 0.134 137 3HG2 THR 21 HG23 THR 21 53.823 4.134 -0.888 138 H LEU 22 HN LEU 22 53.394 4.879 -4.001 139 HA LEU 22 HA LEU 22 51.256 6.448 -5.347 140 1HB LEU 22 HB2 LEU 22 53.164 4.251 -5.997 141 2HB LEU 22 HB1 LEU 22 51.639 4.264 -6.882 142 HG LEU 22 HG LEU 22 52.064 6.688 -7.430 143 1HD1 LEU 22 HD1 LEU 22 54.906 6.137 -6.572 144 2HD1 LEU 22 HD1 LEU 22 53.743 6.879 -5.474 145 3HD1 LEU 22 HD1 LEU 22 54.166 7.683 -6.985 146 1HD2 LEU 22 HD2 LEU 22 54.155 6.035 -8.937 147 2HD2 LEU 22 HD2 LEU 22 52.569 5.326 -9.241 148 3HD2 LEU 22 HD2 LEU 22 53.786 4.414 -8.349 149 H THR 23 HN THR 23 51.480 2.920 -5.206 150 HA THR 23 HA THR 23 49.286 2.553 -3.337 151 HB THR 23 HB THR 23 47.914 1.623 -5.480 152 HG1 THR 23 HG1 THR 23 48.891 2.335 -7.187 153 1HG2 THR 23 HG21 THR 23 47.500 4.486 -5.279 154 2HG2 THR 23 HG22 THR 23 47.736 3.770 -3.684 155 3HG2 THR 23 HG23 THR 23 46.457 3.171 -4.740 156 H ASN 24 HN ASN 24 51.910 1.384 -3.831 157 HA ASN 24 HA ASN 24 51.108 -1.455 -3.925 158 1HB ASN 24 HB2 ASN 24 52.071 -0.022 -6.203 159 2HB ASN 24 HB1 ASN 24 53.331 -1.150 -5.705 160 1HD2 ASN 24 HD2 ASN 24 50.286 -0.898 -7.304 161 2HD2 ASN 24 HD2 ASN 24 49.988 -2.562 -7.473 162 H CYS 25 HN CYS 25 51.985 -0.671 -1.635 163 HA CYS 25 HA CYS 25 54.797 -1.594 -1.484 164 1HB CYS 25 HB2 CYS 25 53.813 1.188 -1.054 165 2HB CYS 25 HB1 CYS 25 55.033 0.583 0.068 166 H TYR 26 HN TYR 26 54.604 -3.150 0.032 167 HA TYR 26 HA TYR 26 52.853 -2.679 2.419 168 1HB TYR 26 HB2 TYR 26 53.876 -5.115 0.945 169 2HB TYR 26 HB1 TYR 26 53.190 -5.247 2.563 170 HD1 TYR 26 HD1 TYR 26 52.455 -3.916 -0.856 171 HD2 TYR 26 HD2 TYR 26 50.864 -5.384 2.853 172 HE1 TYR 26 HE1 TYR 26 50.176 -3.908 -1.832 173 HE2 TYR 26 HE2 TYR 26 48.584 -5.374 1.877 174 HH TYR 26 HH TYR 26 47.490 -3.884 -0.229 175 H VAL 27 HN VAL 27 54.168 -1.851 4.055 176 HA VAL 27 HA VAL 27 56.922 -3.015 4.307 177 HB VAL 27 HB VAL 27 55.901 -0.409 5.466 178 1HG1 VAL 27 HG11 VAL 27 58.590 -0.289 4.580 179 2HG1 VAL 27 HG12 VAL 27 58.406 -1.832 5.418 180 3HG1 VAL 27 HG13 VAL 27 58.005 -0.327 6.245 181 1HG2 VAL 27 HG21 VAL 27 57.430 0.054 3.106 182 2HG2 VAL 27 HG22 VAL 27 55.742 0.475 3.401 183 3HG2 VAL 27 HG23 VAL 27 56.151 -1.085 2.685 184 H ASP 28 HN ASP 28 57.732 -3.156 6.578 185 HA ASP 28 HA ASP 28 55.663 -3.336 8.702 186 1HB ASP 28 HB2 ASP 28 55.712 -5.513 7.512 187 2HB ASP 28 HB1 ASP 28 57.445 -5.629 7.817 188 H LYS 29 HN LYS 29 56.666 -2.007 10.209 189 HA LYS 29 HA LYS 29 58.341 -1.189 11.669 190 1HB LYS 29 HB2 LYS 29 58.124 -3.719 12.133 191 2HB LYS 29 HB1 LYS 29 59.612 -3.893 11.203 192 1HG LYS 29 HG2 LYS 29 60.889 -3.059 12.877 193 2HG LYS 29 HG1 LYS 29 59.743 -1.762 13.219 194 1HD LYS 29 HD2 LYS 29 58.324 -3.910 14.096 195 2HD LYS 29 HD1 LYS 29 59.968 -4.451 14.439 196 1HE LYS 29 HE2 LYS 29 59.893 -1.752 15.259 197 2HE LYS 29 HE1 LYS 29 58.391 -2.482 15.862 198 1HZ LYS 29 HZ1 LYS 29 60.455 -2.808 17.281 199 2HZ LYS 29 HZ2 LYS 29 61.000 -3.865 16.066 200 3HZ LYS 29 HZ3 LYS 29 59.561 -4.200 16.907 201 H SER 30 HN SER 30 58.834 -0.008 9.382 202 HA SER 30 HA SER 30 61.744 -0.480 8.813 203 1HB SER 30 HB2 SER 30 59.641 0.332 6.798 204 2HB SER 30 HB1 SER 30 61.270 -0.259 6.476 205 HG SER 30 HG SER 30 60.420 -2.191 7.752 206 H GLU 31 HN GLU 31 62.214 1.541 7.107 207 HA GLU 31 HA GLU 31 61.145 4.071 8.247 208 1HB GLU 31 HB2 GLU 31 63.134 3.590 9.564 209 2HB GLU 31 HB1 GLU 31 64.057 3.214 8.110 210 1HG GLU 31 HG2 GLU 31 64.315 5.424 7.529 211 2HG GLU 31 HG1 GLU 31 62.767 5.898 8.230 212 H VAL 32 HN VAL 32 60.240 4.746 6.318 213 HA VAL 32 HA VAL 32 61.852 4.483 3.825 214 HB VAL 32 HB VAL 32 58.942 4.974 4.494 215 1HG1 VAL 32 HG11 VAL 32 58.749 5.955 2.476 216 2HG1 VAL 32 HG12 VAL 32 59.149 4.390 1.769 217 3HG1 VAL 32 HG13 VAL 32 60.421 5.576 2.059 218 1HG2 VAL 32 HG21 VAL 32 58.718 2.765 3.302 219 2HG2 VAL 32 HG22 VAL 32 59.660 2.672 4.794 220 3HG2 VAL 32 HG23 VAL 32 60.480 2.683 3.228 221 H TYR 33 HN TYR 33 62.449 6.297 2.639 222 HA TYR 33 HA TYR 33 61.875 8.956 3.891 223 1HB TYR 33 HB2 TYR 33 64.274 7.583 3.139 224 2HB TYR 33 HB1 TYR 33 64.110 8.991 2.090 225 HD1 TYR 33 HD1 TYR 33 65.556 10.639 2.938 226 HD2 TYR 33 HD2 TYR 33 63.024 8.453 5.634 227 HE1 TYR 33 HE1 TYR 33 66.262 12.116 4.801 228 HE2 TYR 33 HE2 TYR 33 63.732 9.932 7.496 229 HH TYR 33 HH TYR 33 65.917 12.682 6.929 230 H GLY 34 HN GLY 34 62.954 10.338 1.521 231 1HA GLY 34 HA2 GLY 34 60.539 10.512 -0.036 232 2HA GLY 34 HA1 GLY 34 62.079 11.263 -0.459 233 H THR 35 HN THR 35 60.597 7.998 -0.334 234 HA THR 35 HA THR 35 62.240 7.275 -2.734 235 HB THR 35 HB THR 35 61.024 5.784 -0.410 236 HG1 THR 35 HG1 THR 35 63.067 5.459 0.062 237 1HG2 THR 35 HG21 THR 35 62.072 3.743 -1.711 238 2HG2 THR 35 HG22 THR 35 61.745 4.741 -3.127 239 3HG2 THR 35 HG23 THR 35 60.423 4.263 -2.061 240 H THR 36 HN THR 36 61.159 5.958 -4.392 241 HA THR 36 HA THR 36 58.384 6.847 -4.892 242 HB THR 36 HB THR 36 58.889 6.345 -7.113 243 HG1 THR 36 HG1 THR 36 59.400 4.343 -7.392 244 1HG2 THR 36 HG21 THR 36 60.936 7.322 -7.548 245 2HG2 THR 36 HG22 THR 36 61.768 6.374 -6.314 246 3HG2 THR 36 HG23 THR 36 60.774 7.753 -5.844 247 H CYS 37 HN CYS 37 57.283 4.774 -6.296 248 HA CYS 37 HA CYS 37 57.549 2.174 -5.064 249 1HB CYS 37 HB2 CYS 37 56.668 3.336 -3.129 250 2HB CYS 37 HB1 CYS 37 55.384 4.062 -4.095 251 H THR 38 HN THR 38 57.224 1.254 -7.098 252 HA THR 38 HA THR 38 54.617 1.867 -8.462 253 HB THR 38 HB THR 38 57.230 0.854 -9.630 254 HG1 THR 38 HG1 THR 38 57.778 2.854 -9.295 255 1HG2 THR 38 HG21 THR 38 54.555 1.614 -10.742 256 2HG2 THR 38 HG22 THR 38 55.614 0.276 -11.190 257 3HG2 THR 38 HG23 THR 38 55.997 1.917 -11.709 258 H GLY 39 HN GLY 39 56.118 -0.414 -6.585 259 1HA GLY 39 HA2 GLY 39 54.337 -2.439 -6.592 260 2HA GLY 39 HA1 GLY 39 55.210 -2.788 -8.085 261 H SER 40 HN SER 40 55.708 -2.275 -4.591 262 HA SER 40 HA SER 40 57.839 -4.350 -4.659 263 1HB SER 40 HB2 SER 40 58.791 -2.039 -5.095 264 2HB SER 40 HB1 SER 40 58.247 -1.585 -3.484 265 HG SER 40 HG SER 40 59.655 -3.003 -2.605 266 H ARG 41 HN ARG 41 58.567 -4.809 -2.326 267 HA ARG 41 HA ARG 41 56.380 -4.254 -0.353 268 1HB ARG 41 HB2 ARG 41 55.834 -6.431 -0.896 269 2HB ARG 41 HB1 ARG 41 57.458 -6.801 -1.470 270 1HG ARG 41 HG2 ARG 41 57.014 -8.074 0.568 271 2HG ARG 41 HG1 ARG 41 58.245 -6.854 0.898 272 1HD ARG 41 HD2 ARG 41 56.909 -5.755 2.383 273 2HD ARG 41 HD1 ARG 41 55.487 -5.904 1.334 274 HE ARG 41 HE ARG 41 56.488 -8.088 3.117 275 1HH1 ARG 41 HH2 ARG 41 54.484 -7.695 0.494 276 2HH1 ARG 41 HH2 ARG 41 53.045 -8.276 1.262 277 1HH2 ARG 41 HH1 ARG 41 54.453 -8.359 4.430 278 2HH2 ARG 41 HH1 ARG 41 53.027 -8.649 3.490 279 H PHE 42 HN PHE 42 57.189 -3.611 1.623 280 HA PHE 42 HA PHE 42 60.150 -3.850 2.052 281 1HB PHE 42 HB2 PHE 42 58.028 -1.838 2.627 282 2HB PHE 42 HB1 PHE 42 59.364 -1.943 3.767 283 HD1 PHE 42 HD1 PHE 42 59.403 -2.518 0.075 284 HD2 PHE 42 HD2 PHE 42 60.637 0.002 3.329 285 HE1 PHE 42 HE1 PHE 42 60.814 -1.204 -1.482 286 HE2 PHE 42 HE2 PHE 42 62.035 1.318 1.770 287 HZ PHE 42 HZ PHE 42 62.134 0.716 -0.631 288 H ASP 43 HN ASP 43 60.825 -4.213 4.314 289 HA ASP 43 HA ASP 43 58.943 -5.029 6.370 290 1HB ASP 43 HB2 ASP 43 58.941 -6.854 4.523 291 2HB ASP 43 HB1 ASP 43 60.560 -7.248 5.100 292 H GLY 44 HN GLY 44 60.136 -4.285 8.121 293 1HA GLY 44 HA2 GLY 44 62.040 -3.763 9.423 294 2HA GLY 44 HA1 GLY 44 62.545 -5.409 9.018 295 H VAL 45 HN VAL 45 62.347 -2.187 7.491 296 HA VAL 45 HA VAL 45 65.090 -2.615 6.384 297 HB VAL 45 HB VAL 45 62.446 -2.304 4.991 298 1HG1 VAL 45 HG11 VAL 45 63.199 -0.678 3.630 299 2HG1 VAL 45 HG12 VAL 45 64.363 -1.851 3.008 300 3HG1 VAL 45 HG13 VAL 45 64.823 -0.765 4.316 301 1HG2 VAL 45 HG21 VAL 45 63.219 -4.493 4.860 302 2HG2 VAL 45 HG22 VAL 45 64.908 -4.000 4.762 303 3HG2 VAL 45 HG23 VAL 45 63.849 -3.810 3.364 304 H THR 46 HN THR 46 66.263 -0.767 6.737 305 HA THR 46 HA THR 46 64.772 1.785 7.192 306 HB THR 46 HB THR 46 67.630 1.044 7.898 307 HG1 THR 46 HG1 THR 46 66.777 -0.075 9.434 308 1HG2 THR 46 HG21 THR 46 66.234 3.488 7.895 309 2HG2 THR 46 HG22 THR 46 67.792 3.153 8.655 310 3HG2 THR 46 HG23 THR 46 66.303 2.980 9.584 311 H ILE 47 HN ILE 47 64.590 2.502 5.030 312 HA ILE 47 HA ILE 47 67.150 2.801 3.505 313 HB ILE 47 HB ILE 47 65.590 2.832 1.544 314 1HG1 ILE 47 HG12 ILE 47 63.286 1.831 3.014 315 2HG1 ILE 47 HG11 ILE 47 63.715 3.460 3.542 316 1HG2 ILE 47 HG21 ILE 47 66.085 0.633 1.648 317 2HG2 ILE 47 HG22 ILE 47 64.535 0.425 2.463 318 3HG2 ILE 47 HG23 ILE 47 66.008 0.630 3.411 319 1HD1 ILE 47 HD1 ILE 47 62.233 3.760 1.694 320 2HD1 ILE 47 HD1 ILE 47 63.061 2.534 0.738 321 3HD1 ILE 47 HD1 ILE 47 63.847 4.079 1.061 322 H THR 48 HN THR 48 67.340 4.826 2.232 323 HA THR 48 HA THR 48 66.041 7.124 3.630 324 HB THR 48 HB THR 48 68.624 6.616 3.397 325 HG1 THR 48 HG1 THR 48 68.846 9.020 3.048 326 1HG2 THR 48 HG21 THR 48 68.421 6.375 0.887 327 2HG2 THR 48 HG22 THR 48 69.657 7.516 1.418 328 3HG2 THR 48 HG23 THR 48 68.105 8.107 0.818 329 H THR 49 HN THR 49 66.503 9.064 1.639 330 HA THR 49 HA THR 49 64.229 8.750 -0.078 331 HB THR 49 HB THR 49 66.660 10.566 -0.160 332 HG1 THR 49 HG1 THR 49 65.146 12.008 0.806 333 1HG2 THR 49 HG21 THR 49 64.304 11.721 -1.319 334 2HG2 THR 49 HG22 THR 49 64.634 10.183 -2.116 335 3HG2 THR 49 HG23 THR 49 65.873 11.438 -2.073 336 H SER 50 HN SER 50 64.524 6.749 -1.269 337 HA SER 50 HA SER 50 66.487 7.001 -3.511 338 1HB SER 50 HB2 SER 50 67.361 4.854 -3.071 339 2HB SER 50 HB1 SER 50 67.162 5.537 -1.459 340 HG SER 50 HG SER 50 66.266 3.452 -1.580 341 H THR 51 HN THR 51 65.927 5.507 -5.329 342 HA THR 51 HA THR 51 62.961 5.144 -5.528 343 HB THR 51 HB THR 51 63.269 5.553 -7.862 344 HG1 THR 51 HG1 THR 51 65.990 5.031 -7.297 345 1HG2 THR 51 HG21 THR 51 63.830 7.738 -7.677 346 2HG2 THR 51 HG22 THR 51 65.455 7.357 -7.107 347 3HG2 THR 51 HG23 THR 51 64.106 7.384 -5.971 348 H SER 52 HN SER 52 63.497 3.035 -4.263 349 HA SER 52 HA SER 52 64.318 0.900 -6.208 350 1HB SER 52 HB2 SER 52 65.833 1.527 -4.202 351 2HB SER 52 HB1 SER 52 64.593 0.775 -3.202 352 HG SER 52 HG SER 52 66.346 -0.348 -5.069 353 H THR 53 HN THR 53 62.329 0.049 -6.814 354 HA THR 53 HA THR 53 60.680 -1.170 -4.671 355 HB THR 53 HB THR 53 58.715 -0.033 -6.140 356 HG1 THR 53 HG1 THR 53 59.338 1.817 -7.007 357 1HG2 THR 53 HG21 THR 53 60.164 0.627 -3.675 358 2HG2 THR 53 HG22 THR 53 58.427 0.533 -3.967 359 3HG2 THR 53 HG23 THR 53 59.312 2.002 -4.377 360 H GLY 54 HN GLY 54 60.456 -3.247 -5.377 361 1HA GLY 54 HA2 GLY 54 59.116 -4.074 -7.683 362 2HA GLY 54 HA1 GLY 54 60.818 -4.024 -8.141 363 H SER 55 HN SER 55 61.716 -4.683 -5.415 364 HA SER 55 HA SER 55 60.909 -7.568 -5.316 365 1HB SER 55 HB2 SER 55 63.085 -7.858 -5.918 366 2HB SER 55 HB1 SER 55 63.475 -6.172 -5.591 367 HG SER 55 HG SER 55 64.374 -6.876 -3.837 368 H ARG 56 HN ARG 56 61.349 -8.509 -3.067 369 HA ARG 56 HA ARG 56 60.371 -6.607 -1.015 370 1HB ARG 56 HB2 ARG 56 59.275 -8.760 -1.254 371 2HB ARG 56 HB1 ARG 56 60.819 -9.605 -1.132 372 1HG ARG 56 HG2 ARG 56 60.829 -8.103 1.166 373 2HG ARG 56 HG1 ARG 56 59.116 -8.489 0.998 374 1HD ARG 56 HD2 ARG 56 61.192 -10.653 0.667 375 2HD ARG 56 HD1 ARG 56 60.610 -10.192 2.280 376 HE ARG 56 HE ARG 56 58.256 -10.457 1.019 377 1HH1 ARG 56 HH2 ARG 56 60.706 -12.096 -0.501 378 2HH1 ARG 56 HH2 ARG 56 60.048 -13.681 -0.274 379 1HH2 ARG 56 HH1 ARG 56 57.566 -12.630 1.904 380 2HH2 ARG 56 HH1 ARG 56 58.273 -13.985 1.089 381 H ILE 57 HN ILE 57 61.679 -5.873 0.674 382 HA ILE 57 HA ILE 57 64.484 -6.929 0.722 383 HB ILE 57 HB ILE 57 63.342 -4.236 1.506 384 1HG1 ILE 57 HG12 ILE 57 64.752 -5.308 -0.927 385 2HG1 ILE 57 HG11 ILE 57 63.378 -4.206 -0.836 386 1HG2 ILE 57 HG21 ILE 57 65.730 -3.607 1.776 387 2HG2 ILE 57 HG22 ILE 57 66.196 -5.276 1.452 388 3HG2 ILE 57 HG23 ILE 57 65.266 -4.883 2.897 389 1HD1 ILE 57 HD1 ILE 57 64.851 -2.435 0.049 390 2HD1 ILE 57 HD1 ILE 57 65.432 -3.007 -1.517 391 3HD1 ILE 57 HD1 ILE 57 66.223 -3.543 -0.030 392 H SER 58 HN SER 58 65.545 -6.857 2.835 393 HA SER 58 HA SER 58 63.771 -6.845 5.219 394 1HB SER 58 HB2 SER 58 64.779 -9.204 3.836 395 2HB SER 58 HB1 SER 58 65.319 -9.164 5.511 396 HG SER 58 HG SER 58 62.649 -8.550 4.886 397 H GLY 59 HN GLY 59 64.950 -6.357 7.145 398 1HA GLY 59 HA2 GLY 59 67.665 -6.670 7.649 399 2HA GLY 59 HA1 GLY 59 67.575 -5.160 6.742 400 HA PRO 60 HA PRO 60 65.615 -4.683 11.115 401 1HB PRO 60 HB2 PRO 60 67.300 -5.731 13.008 402 2HB PRO 60 HB1 PRO 60 65.929 -6.634 12.332 403 1HG PRO 60 HG2 PRO 60 68.824 -6.818 11.677 404 2HG PRO 60 HG1 PRO 60 67.605 -8.097 11.782 405 1HD PRO 60 HD2 PRO 60 68.500 -7.043 9.423 406 2HD PRO 60 HD1 PRO 60 66.893 -7.775 9.631 407 H GLY 61 HN GLY 61 68.601 -4.347 9.629 408 1HA GLY 61 HA2 GLY 61 69.066 -1.736 10.866 409 2HA GLY 61 HA1 GLY 61 70.357 -2.915 11.119 410 H CYS 62 HN CYS 62 68.367 -2.912 8.219 411 HA CYS 62 HA CYS 62 70.682 -2.824 6.481 412 1HB CYS 62 HB2 CYS 62 68.811 -4.028 5.725 413 2HB CYS 62 HB1 CYS 62 67.681 -2.778 6.241 414 H LYS 63 HN LYS 63 71.118 -1.152 4.892 415 HA LYS 63 HA LYS 63 69.947 1.544 5.391 416 1HB LYS 63 HB2 LYS 63 72.881 0.763 5.496 417 2HB LYS 63 HB1 LYS 63 72.314 2.431 5.447 418 1HG LYS 63 HG2 LYS 63 71.297 0.530 7.554 419 2HG LYS 63 HG1 LYS 63 72.828 1.372 7.766 420 1HD LYS 63 HD2 LYS 63 70.939 3.291 6.853 421 2HD LYS 63 HD1 LYS 63 70.178 2.383 8.162 422 1HE LYS 63 HE2 LYS 63 71.326 3.874 9.488 423 2HE LYS 63 HE1 LYS 63 72.680 2.763 9.200 424 1HZ LYS 63 HZ1 LYS 63 71.997 4.936 7.310 425 2HZ LYS 63 HZ2 LYS 63 73.435 4.036 7.400 426 3HZ LYS 63 HZ3 LYS 63 73.069 5.182 8.601 427 H ILE 64 HN ILE 64 69.181 1.986 3.312 428 HA ILE 64 HA ILE 64 70.844 1.145 0.977 429 HB ILE 64 HB ILE 64 68.257 0.734 1.446 430 1HG1 ILE 64 HG12 ILE 64 69.120 1.685 -1.295 431 2HG1 ILE 64 HG11 ILE 64 69.655 0.151 -0.606 432 1HG2 ILE 64 HG21 ILE 64 66.892 2.462 0.258 433 2HG2 ILE 64 HG22 ILE 64 68.322 3.490 0.183 434 3HG2 ILE 64 HG23 ILE 64 67.624 3.062 1.744 435 1HD1 ILE 64 HD1 ILE 64 67.002 -0.062 -0.148 436 2HD1 ILE 64 HD1 ILE 64 67.761 -0.626 -1.638 437 3HD1 ILE 64 HD1 ILE 64 66.967 0.950 -1.593 438 H SER 65 HN SER 65 70.829 2.852 -0.889 439 HA SER 65 HA SER 65 70.720 5.655 0.079 440 1HB SER 65 HB2 SER 65 73.046 4.085 0.172 441 2HB SER 65 HB1 SER 65 73.253 5.122 -1.235 442 HG SER 65 HG SER 65 73.776 6.562 0.208 443 H THR 66 HN THR 66 69.120 5.940 -1.603 444 HA THR 66 HA THR 66 68.352 6.340 -3.807 445 HB THR 66 HB THR 66 70.207 7.559 -5.114 446 HG1 THR 66 HG1 THR 66 72.094 7.874 -4.047 447 1HG2 THR 66 HG21 THR 66 68.573 8.337 -3.048 448 2HG2 THR 66 HG22 THR 66 69.566 9.431 -4.010 449 3HG2 THR 66 HG23 THR 66 70.162 8.829 -2.464 450 H CYS 67 HN CYS 67 67.868 4.546 -5.023 451 HA CYS 67 HA CYS 67 70.099 3.303 -6.574 452 1HB CYS 67 HB2 CYS 67 67.926 1.863 -5.016 453 2HB CYS 67 HB1 CYS 67 69.175 1.087 -5.992 454 H ILE 68 HN ILE 68 69.457 2.624 -8.662 455 HA ILE 68 HA ILE 68 67.278 3.880 -9.951 456 HB ILE 68 HB ILE 68 67.804 2.302 -11.763 457 1HG1 ILE 68 HG12 ILE 68 69.817 0.770 -10.302 458 2HG1 ILE 68 HG11 ILE 68 68.193 0.506 -9.665 459 1HG2 ILE 68 HG21 ILE 68 69.902 3.645 -10.170 460 2HG2 ILE 68 HG22 ILE 68 69.532 3.780 -11.889 461 3HG2 ILE 68 HG23 ILE 68 70.493 2.425 -11.298 462 1HD1 ILE 68 HD1 ILE 68 69.178 0.078 -12.489 463 2HD1 ILE 68 HD1 ILE 68 67.461 0.192 -12.107 464 3HD1 ILE 68 HD1 ILE 68 68.437 -1.099 -11.405 465 H ILE 69 HN ILE 69 65.571 2.332 -11.181 466 HA ILE 69 HA ILE 69 63.649 1.464 -9.303 467 HB ILE 69 HB ILE 69 64.216 0.913 -12.214 468 1HG1 ILE 69 HG12 ILE 69 62.045 2.419 -10.716 469 2HG1 ILE 69 HG11 ILE 69 63.414 3.148 -11.559 470 1HG2 ILE 69 HG21 ILE 69 61.587 0.155 -11.817 471 2HG2 ILE 69 HG22 ILE 69 62.408 -0.554 -10.427 472 3HG2 ILE 69 HG23 ILE 69 62.938 -0.952 -12.062 473 1HD1 ILE 69 HD1 ILE 69 60.900 2.064 -12.648 474 2HD1 ILE 69 HD1 ILE 69 62.345 1.543 -13.513 475 3HD1 ILE 69 HD1 ILE 69 61.999 3.262 -13.332 476 H THR 70 HN THR 70 63.040 -0.695 -8.626 477 HA THR 70 HA THR 70 65.361 -2.545 -8.461 478 HB THR 70 HB THR 70 62.699 -2.688 -7.032 479 HG1 THR 70 HG1 THR 70 65.011 -1.166 -6.421 480 1HG2 THR 70 HG21 THR 70 63.874 -3.960 -5.419 481 2HG2 THR 70 HG22 THR 70 65.445 -3.439 -6.031 482 3HG2 THR 70 HG23 THR 70 64.462 -4.566 -6.967 483 H GLY 71 HN GLY 71 62.727 -4.394 -7.814 484 1HA GLY 71 HA2 GLY 71 61.271 -5.720 -9.204 485 2HA GLY 71 HA1 GLY 71 62.158 -5.156 -10.623 486 H GLY 72 HN GLY 72 63.630 -6.392 -7.663 487 1HA GLY 72 HA2 GLY 72 64.535 -8.596 -7.309 488 2HA GLY 72 HA1 GLY 72 64.297 -8.940 -9.024 489 H VAL 73 HN VAL 73 66.152 -6.641 -6.986 490 HA VAL 73 HA VAL 73 68.279 -6.525 -9.044 491 HB VAL 73 HB VAL 73 69.127 -4.747 -7.644 492 1HG1 VAL 73 HG11 VAL 73 66.114 -4.863 -7.807 493 2HG1 VAL 73 HG12 VAL 73 67.232 -3.992 -8.855 494 3HG1 VAL 73 HG13 VAL 73 66.960 -3.439 -7.204 495 1HG2 VAL 73 HG21 VAL 73 67.980 -6.352 -5.560 496 2HG2 VAL 73 HG22 VAL 73 67.307 -4.724 -5.459 497 3HG2 VAL 73 HG23 VAL 73 69.053 -4.961 -5.405 498 HA PRO 74 HA PRO 74 70.964 -9.423 -7.135 499 1HB PRO 74 HB2 PRO 74 73.418 -8.223 -7.268 500 2HB PRO 74 HB1 PRO 74 72.579 -8.874 -8.689 501 1HG PRO 74 HG2 PRO 74 72.830 -6.063 -7.762 502 2HG PRO 74 HG1 PRO 74 72.824 -6.716 -9.407 503 1HD PRO 74 HD2 PRO 74 70.672 -5.497 -8.233 504 2HD PRO 74 HD1 PRO 74 70.546 -6.684 -9.548 505 H ALA 75 HN ALA 75 72.566 -9.747 -5.306 506 HA ALA 75 HA ALA 75 71.666 -8.337 -2.922 507 1HB ALA 75 HB1 ALA 75 73.532 -9.908 -1.976 508 2HB ALA 75 HB2 ALA 75 73.574 -10.557 -3.616 509 3HB ALA 75 HB3 ALA 75 72.084 -10.633 -2.675 510 HA PRO 76 HA PRO 76 76.232 -6.845 -2.871 511 1HB PRO 76 HB2 PRO 76 77.586 -6.860 -5.254 512 2HB PRO 76 HB1 PRO 76 77.632 -8.206 -4.096 513 1HG PRO 76 HG2 PRO 76 76.032 -7.909 -6.589 514 2HG PRO 76 HG1 PRO 76 76.853 -9.336 -5.938 515 1HD PRO 76 HD2 PRO 76 74.183 -8.938 -5.727 516 2HD PRO 76 HD1 PRO 76 75.119 -9.852 -4.527 517 H SER 77 HN SER 77 74.162 -6.269 -5.654 518 HA SER 77 HA SER 77 73.650 -4.239 -6.809 519 1HB SER 77 HB2 SER 77 74.064 -3.018 -4.089 520 2HB SER 77 HB1 SER 77 72.773 -2.715 -5.250 521 HG SER 77 HG SER 77 71.888 -4.686 -4.755 522 H ALA 78 HN ALA 78 76.160 -4.588 -7.551 523 HA ALA 78 HA ALA 78 78.221 -2.905 -6.595 524 1HB ALA 78 HB1 ALA 78 77.686 -3.305 -9.535 525 2HB ALA 78 HB2 ALA 78 78.053 -4.701 -8.523 526 3HB ALA 78 HB3 ALA 78 79.223 -3.391 -8.671 527 H ALA 79 HN ALA 79 75.261 -2.187 -8.212 528 HA ALA 79 HA ALA 79 76.036 0.548 -9.011 529 1HB ALA 79 HB1 ALA 79 73.459 0.365 -9.610 530 2HB ALA 79 HB2 ALA 79 73.731 -1.356 -9.311 531 3HB ALA 79 HB3 ALA 79 74.650 -0.517 -10.567 532 H CYS 80 HN CYS 80 73.152 -0.683 -7.326 533 HA CYS 80 HA CYS 80 72.636 1.746 -5.897 534 1HB CYS 80 HB2 CYS 80 70.855 0.243 -6.297 535 2HB CYS 80 HB1 CYS 80 71.774 -1.141 -5.711 536 H LYS 81 HN LYS 81 72.867 2.142 -3.605 537 HA LYS 81 HA LYS 81 75.241 0.798 -2.394 538 1HB LYS 81 HB2 LYS 81 74.182 3.481 -2.586 539 2HB LYS 81 HB1 LYS 81 74.378 3.037 -0.890 540 1HG LYS 81 HG2 LYS 81 76.445 4.050 -1.814 541 2HG LYS 81 HG1 LYS 81 76.706 2.378 -1.312 542 1HD LYS 81 HD2 LYS 81 77.724 2.760 -3.510 543 2HD LYS 81 HD1 LYS 81 76.369 1.641 -3.660 544 1HE LYS 81 HE2 LYS 81 76.249 3.323 -5.453 545 2HE LYS 81 HE1 LYS 81 74.911 3.588 -4.315 546 1HZ LYS 81 HZ1 LYS 81 77.539 4.881 -3.929 547 2HZ LYS 81 HZ2 LYS 81 76.037 5.313 -3.263 548 3HZ LYS 81 HZ3 LYS 81 76.353 5.595 -4.908 549 H ILE 82 HN ILE 82 74.563 -0.926 -1.153 550 HA ILE 82 HA ILE 82 72.251 -0.467 0.707 551 HB ILE 82 HB ILE 82 71.690 -1.951 -1.145 552 1HG1 ILE 82 HG12 ILE 82 71.127 -2.500 1.368 553 2HG1 ILE 82 HG11 ILE 82 70.777 -3.687 0.116 554 1HG2 ILE 82 HG21 ILE 82 74.293 -3.262 -0.381 555 2HG2 ILE 82 HG22 ILE 82 73.755 -2.713 -1.970 556 3HG2 ILE 82 HG23 ILE 82 73.050 -4.162 -1.251 557 1HD1 ILE 82 HD1 ILE 82 72.325 -5.147 0.903 558 2HD1 ILE 82 HD1 ILE 82 72.245 -4.195 2.385 559 3HD1 ILE 82 HD1 ILE 82 73.510 -3.874 1.199 560 H SER 83 HN SER 83 72.435 -1.668 2.767 561 HA SER 83 HA SER 83 75.136 -2.756 3.403 562 1HB SER 83 HB2 SER 83 74.145 -0.129 4.034 563 2HB SER 83 HB1 SER 83 74.364 -1.034 5.529 564 HG SER 83 HG SER 83 76.209 0.028 3.885 565 H GLY 84 HN GLY 84 74.186 -4.811 3.849 566 1HA GLY 84 HA2 GLY 84 73.313 -6.393 5.367 567 2HA GLY 84 HA1 GLY 84 72.956 -5.065 6.474 568 H CYS 85 HN CYS 85 71.850 -5.946 3.183 569 HA CYS 85 HA CYS 85 69.039 -5.766 4.213 570 1HB CYS 85 HB2 CYS 85 70.375 -3.964 2.562 571 2HB CYS 85 HB1 CYS 85 69.440 -4.946 1.434 572 H THR 86 HN THR 86 67.495 -7.008 2.945 573 HA THR 86 HA THR 86 68.748 -9.292 1.458 574 HB THR 86 HB THR 86 65.973 -9.585 2.343 575 HG1 THR 86 HG1 THR 86 67.772 -9.520 4.463 576 1HG2 THR 86 HG21 THR 86 66.672 -11.718 2.740 577 2HG2 THR 86 HG22 THR 86 68.152 -11.189 3.542 578 3HG2 THR 86 HG23 THR 86 68.068 -11.226 1.780 579 H PHE 87 HN PHE 87 67.417 -10.062 -0.443 580 HA PHE 87 HA PHE 87 65.494 -8.037 -1.474 581 1HB PHE 87 HB2 PHE 87 68.234 -8.652 -2.447 582 2HB PHE 87 HB1 PHE 87 66.996 -8.424 -3.684 583 HD1 PHE 87 HD1 PHE 87 68.496 -6.843 -0.647 584 HD2 PHE 87 HD2 PHE 87 66.208 -6.262 -4.235 585 HE1 PHE 87 HE1 PHE 87 68.618 -4.387 -0.328 586 HE2 PHE 87 HE2 PHE 87 66.328 -3.807 -3.913 587 HZ PHE 87 HZ PHE 87 67.533 -2.870 -1.960 588 H SER 88 HN SER 88 64.323 -8.817 -3.382 589 HA SER 88 HA SER 88 64.459 -11.364 -4.569 590 1HB SER 88 HB2 SER 88 64.164 -12.551 -2.600 591 2HB SER 88 HB1 SER 88 63.290 -11.234 -1.822 592 HG SER 88 HG SER 88 61.900 -12.960 -2.334 593 H ALA 89 HN ALA 89 63.268 -10.798 -6.361 594 HA ALA 89 HA ALA 89 61.527 -8.748 -6.806 595 1HB ALA 89 HB1 ALA 89 62.150 -11.267 -7.975 596 2HB ALA 89 HB2 ALA 89 61.441 -9.856 -8.763 597 3HB ALA 89 HB3 ALA 89 60.398 -11.081 -8.038 598 H ASN 90 HN ASN 90 59.444 -8.179 -6.275 599 HA ASN 90 HA ASN 90 57.939 -10.038 -4.473 600 1HB ASN 90 HB2 ASN 90 58.396 -8.153 -3.208 601 2HB ASN 90 HB1 ASN 90 58.464 -7.098 -4.616 602 1HD2 ASN 90 HD2 ASN 90 55.827 -9.292 -3.490 603 2HD2 ASN 90 HD2 ASN 90 54.657 -8.067 -3.389 Start of MODEL 3 1 1H ASP 1 HT1 ASP 1 43.952 11.774 3.383 2 2H ASP 1 HT2 ASP 1 44.311 11.444 1.756 3 3H ASP 1 HT3 ASP 1 44.924 12.845 2.496 4 HA ASP 1 HA ASP 1 46.604 11.040 2.252 5 1HB ASP 1 HB2 ASP 1 46.025 12.874 4.249 6 2HB ASP 1 HB1 ASP 1 46.293 11.382 5.151 7 H GLY 2 HN GLY 2 47.355 9.005 3.226 8 1HA GLY 2 HA2 GLY 2 45.176 7.359 4.437 9 2HA GLY 2 HA1 GLY 2 46.150 6.722 3.111 10 H SER 3 HN SER 3 45.861 6.617 6.384 11 HA SER 3 HA SER 3 47.300 5.798 8.075 12 1HB SER 3 HB2 SER 3 49.503 5.272 6.181 13 2HB SER 3 HB1 SER 3 48.675 4.166 7.272 14 HG SER 3 HG SER 3 48.322 3.837 4.954 15 H CYS 4 HN CYS 4 49.689 7.076 5.746 16 HA CYS 4 HA CYS 4 50.204 9.440 7.443 17 1HB CYS 4 HB2 CYS 4 51.404 7.330 8.343 18 2HB CYS 4 HB1 CYS 4 52.424 7.456 6.909 19 H THR 5 HN THR 5 51.951 7.496 4.991 20 HA THR 5 HA THR 5 51.858 9.866 3.159 21 HB THR 5 HB THR 5 54.019 9.757 4.340 22 HG1 THR 5 HG1 THR 5 54.620 8.687 1.838 23 1HG2 THR 5 HG21 THR 5 55.131 7.385 3.236 24 2HG2 THR 5 HG22 THR 5 53.598 6.944 3.988 25 3HG2 THR 5 HG23 THR 5 54.844 7.755 4.936 26 H ASN 6 HN ASN 6 50.053 7.792 2.864 27 HA ASN 6 HA ASN 6 51.106 6.421 0.427 28 1HB ASN 6 HB2 ASN 6 49.602 5.163 2.743 29 2HB ASN 6 HB1 ASN 6 50.048 4.333 1.252 30 1HD2 ASN 6 HD2 ASN 6 51.970 3.187 1.407 31 2HD2 ASN 6 HD2 ASN 6 53.250 3.559 2.458 32 H THR 7 HN THR 7 49.782 7.396 -1.091 33 HA THR 7 HA THR 7 46.871 7.696 -0.508 34 HB THR 7 HB THR 7 46.912 9.261 -2.311 35 HG1 THR 7 HG1 THR 7 49.121 7.737 -3.071 36 1HG2 THR 7 HG21 THR 7 48.512 10.816 -1.603 37 2HG2 THR 7 HG22 THR 7 49.725 9.574 -1.298 38 3HG2 THR 7 HG23 THR 7 48.363 9.765 -0.195 39 H ASN 8 HN ASN 8 48.287 5.127 -1.024 40 HA ASN 8 HA ASN 8 46.400 3.810 -2.700 41 1HB ASN 8 HB2 ASN 8 48.261 5.376 -4.102 42 2HB ASN 8 HB1 ASN 8 48.860 3.724 -4.267 43 1HD2 ASN 8 HD2 ASN 8 46.279 5.916 -5.185 44 2HD2 ASN 8 HD2 ASN 8 45.448 4.825 -6.182 45 H SER 9 HN SER 9 49.596 3.945 -1.246 46 HA SER 9 HA SER 9 49.738 0.957 -1.174 47 1HB SER 9 HB2 SER 9 51.835 3.077 -0.595 48 2HB SER 9 HB1 SER 9 52.119 1.349 -0.770 49 HG SER 9 HG SER 9 52.566 2.522 -2.695 50 H GLN 10 HN GLN 10 51.346 0.667 1.097 51 HA GLN 10 HA GLN 10 49.908 2.081 3.293 52 1HB GLN 10 HB2 GLN 10 49.618 -0.701 2.410 53 2HB GLN 10 HB1 GLN 10 49.969 -0.554 4.134 54 1HG GLN 10 HG2 GLN 10 47.993 0.531 4.587 55 2HG GLN 10 HG1 GLN 10 47.941 1.314 3.007 56 1HE2 GLN 10 HE21 GLN 10 45.829 0.608 2.374 57 2HE2 GLN 10 HE22 GLN 10 45.439 -1.027 2.133 58 H LEU 11 HN LEU 11 51.549 2.898 4.540 59 HA LEU 11 HA LEU 11 54.155 1.485 4.712 60 1HB LEU 11 HB2 LEU 11 53.510 4.086 4.479 61 2HB LEU 11 HB1 LEU 11 53.486 3.970 6.239 62 HG LEU 11 HG LEU 11 55.803 2.724 5.859 63 1HD1 LEU 11 HD1 LEU 11 56.574 4.527 3.816 64 2HD1 LEU 11 HD1 LEU 11 55.114 3.721 3.239 65 3HD1 LEU 11 HD1 LEU 11 56.517 2.766 3.722 66 1HD2 LEU 11 HD2 LEU 11 56.926 4.867 6.198 67 2HD2 LEU 11 HD2 LEU 11 55.415 4.850 7.107 68 3HD2 LEU 11 HD2 LEU 11 55.518 5.733 5.583 69 H SER 12 HN SER 12 54.844 0.468 6.636 70 HA SER 12 HA SER 12 52.971 -0.551 8.480 71 1HB SER 12 HB2 SER 12 55.562 -0.973 7.941 72 2HB SER 12 HB1 SER 12 55.764 0.047 9.363 73 HG SER 12 HG SER 12 54.339 -1.390 10.465 74 H ALA 13 HN ALA 13 52.109 0.236 10.401 75 HA ALA 13 HA ALA 13 51.981 3.034 10.904 76 1HB ALA 13 HB1 ALA 13 51.243 2.009 13.246 77 2HB ALA 13 HB2 ALA 13 51.326 0.493 12.351 78 3HB ALA 13 HB3 ALA 13 50.246 1.778 11.810 79 H ASN 14 HN ASN 14 54.497 0.804 11.578 80 HA ASN 14 HA ASN 14 55.639 2.653 13.644 81 1HB ASN 14 HB2 ASN 14 57.009 0.497 14.144 82 2HB ASN 14 HB1 ASN 14 55.312 0.531 14.623 83 1HD2 ASN 14 HD2 ASN 14 55.099 -1.810 14.419 84 2HD2 ASN 14 HD2 ASN 14 55.077 -2.566 12.900 85 H SER 15 HN SER 15 55.845 2.491 10.487 86 HA SER 15 HA SER 15 58.782 2.144 10.242 87 1HB SER 15 HB2 SER 15 58.349 1.964 7.938 88 2HB SER 15 HB1 SER 15 56.867 1.321 8.641 89 HG SER 15 HG SER 15 55.808 3.013 7.953 90 H LYS 16 HN LYS 16 58.803 4.153 7.998 91 HA LYS 16 HA LYS 16 58.738 6.637 9.692 92 1HB LYS 16 HB2 LYS 16 61.010 5.790 9.187 93 2HB LYS 16 HB1 LYS 16 60.642 5.846 7.463 94 1HG LYS 16 HG2 LYS 16 61.062 8.059 7.364 95 2HG LYS 16 HG1 LYS 16 60.014 8.377 8.748 96 1HD LYS 16 HD2 LYS 16 61.956 7.452 10.184 97 2HD LYS 16 HD1 LYS 16 62.949 7.666 8.742 98 1HE LYS 16 HE2 LYS 16 63.143 9.874 9.191 99 2HE LYS 16 HE1 LYS 16 61.381 10.051 9.132 100 1HZ LYS 16 HZ1 LYS 16 61.522 10.395 11.324 101 2HZ LYS 16 HZ2 LYS 16 63.115 9.811 11.416 102 3HZ LYS 16 HZ3 LYS 16 61.807 8.730 11.469 103 H CYS 17 HN CYS 17 57.227 8.047 8.944 104 HA CYS 17 HA CYS 17 55.733 7.785 6.565 105 1HB CYS 17 HB2 CYS 17 55.599 9.283 8.776 106 2HB CYS 17 HB1 CYS 17 56.312 10.488 7.701 107 H GLU 18 HN GLU 18 56.951 7.553 4.656 108 HA GLU 18 HA GLU 18 59.177 9.369 4.046 109 1HB GLU 18 HB2 GLU 18 59.388 7.959 2.101 110 2HB GLU 18 HB1 GLU 18 58.957 6.909 3.450 111 1HG GLU 18 HG2 GLU 18 57.051 6.275 2.433 112 2HG GLU 18 HG1 GLU 18 56.569 7.951 2.178 113 H LYS 19 HN LYS 19 58.377 9.394 1.143 114 HA LYS 19 HA LYS 19 56.048 11.244 1.127 115 1HB LYS 19 HB2 LYS 19 58.794 12.030 1.235 116 2HB LYS 19 HB1 LYS 19 58.188 12.426 -0.374 117 1HG LYS 19 HG2 LYS 19 56.124 13.385 0.922 118 2HG LYS 19 HG1 LYS 19 57.225 13.408 2.300 119 1HD LYS 19 HD2 LYS 19 58.871 14.649 0.786 120 2HD LYS 19 HD1 LYS 19 57.528 14.852 -0.340 121 1HE LYS 19 HE2 LYS 19 56.492 15.589 2.177 122 2HE LYS 19 HE1 LYS 19 58.095 16.346 2.076 123 1HZ LYS 19 HZ1 LYS 19 57.307 16.764 -0.380 124 2HZ LYS 19 HZ2 LYS 19 56.893 17.841 0.867 125 3HZ LYS 19 HZ3 LYS 19 55.768 16.688 0.328 126 H SER 20 HN SER 20 55.113 11.433 -0.972 127 HA SER 20 HA SER 20 54.696 10.864 -3.231 128 1HB SER 20 HB2 SER 20 57.507 9.787 -3.318 129 2HB SER 20 HB1 SER 20 56.603 10.607 -4.588 130 HG SER 20 HG SER 20 58.052 11.628 -2.469 131 H THR 21 HN THR 21 53.316 9.148 -3.370 132 HA THR 21 HA THR 21 54.347 6.426 -3.612 133 HB THR 21 HB THR 21 52.526 7.107 -1.280 134 HG1 THR 21 HG1 THR 21 54.613 6.422 -0.181 135 1HG2 THR 21 HG21 THR 21 52.228 4.885 -1.193 136 2HG2 THR 21 HG22 THR 21 53.962 4.683 -0.941 137 3HG2 THR 21 HG23 THR 21 53.301 4.664 -2.577 138 H LEU 22 HN LEU 22 52.881 5.261 -4.894 139 HA LEU 22 HA LEU 22 50.016 5.830 -4.869 140 1HB LEU 22 HB2 LEU 22 50.061 6.740 -7.229 141 2HB LEU 22 HB1 LEU 22 50.805 7.803 -6.032 142 HG LEU 22 HG LEU 22 52.501 5.780 -7.463 143 1HD1 LEU 22 HD1 LEU 22 51.861 6.729 -9.436 144 2HD1 LEU 22 HD1 LEU 22 52.915 8.047 -8.922 145 3HD1 LEU 22 HD1 LEU 22 51.176 8.148 -8.643 146 1HD2 LEU 22 HD2 LEU 22 52.823 8.200 -5.804 147 2HD2 LEU 22 HD2 LEU 22 53.895 8.130 -7.203 148 3HD2 LEU 22 HD2 LEU 22 53.912 6.828 -6.014 149 H THR 23 HN THR 23 50.809 3.357 -4.525 150 HA THR 23 HA THR 23 50.015 1.944 -6.941 151 HB THR 23 HB THR 23 52.226 2.302 -7.681 152 HG1 THR 23 HG1 THR 23 52.814 0.286 -7.864 153 1HG2 THR 23 HG21 THR 23 53.357 3.297 -5.905 154 2HG2 THR 23 HG22 THR 23 54.149 1.722 -5.981 155 3HG2 THR 23 HG23 THR 23 52.902 2.026 -4.771 156 H ASN 24 HN ASN 24 52.314 0.212 -5.063 157 HA ASN 24 HA ASN 24 50.365 -0.675 -3.026 158 1HB ASN 24 HB2 ASN 24 51.359 -2.351 -5.345 159 2HB ASN 24 HB1 ASN 24 50.651 -3.061 -3.894 160 1HD2 ASN 24 HD2 ASN 24 49.878 -1.853 -6.965 161 2HD2 ASN 24 HD2 ASN 24 48.214 -1.615 -6.726 162 H CYS 25 HN CYS 25 51.784 -0.399 -1.312 163 HA CYS 25 HA CYS 25 54.296 -2.013 -1.370 164 1HB CYS 25 HB2 CYS 25 54.146 0.836 -0.364 165 2HB CYS 25 HB1 CYS 25 55.589 -0.129 -0.669 166 H TYR 26 HN TYR 26 53.860 -3.414 0.270 167 HA TYR 26 HA TYR 26 52.552 -2.418 2.760 168 1HB TYR 26 HB2 TYR 26 51.821 -4.472 1.371 169 2HB TYR 26 HB1 TYR 26 53.268 -5.259 2.001 170 HD1 TYR 26 HD1 TYR 26 49.841 -4.603 2.600 171 HD2 TYR 26 HD2 TYR 26 53.604 -5.073 4.615 172 HE1 TYR 26 HE1 TYR 26 48.645 -5.115 4.712 173 HE2 TYR 26 HE2 TYR 26 52.410 -5.586 6.728 174 HH TYR 26 HH TYR 26 49.256 -4.900 7.262 175 H VAL 27 HN VAL 27 54.201 -1.520 4.018 176 HA VAL 27 HA VAL 27 56.785 -2.993 4.222 177 HB VAL 27 HB VAL 27 55.998 -0.282 5.327 178 1HG1 VAL 27 HG11 VAL 27 58.655 -0.296 4.457 179 2HG1 VAL 27 HG12 VAL 27 58.432 -1.878 5.209 180 3HG1 VAL 27 HG13 VAL 27 58.096 -0.412 6.130 181 1HG2 VAL 27 HG21 VAL 27 57.521 -0.110 2.900 182 2HG2 VAL 27 HG22 VAL 27 55.916 0.541 3.235 183 3HG2 VAL 27 HG23 VAL 27 56.087 -1.094 2.599 184 H ASP 28 HN ASP 28 57.747 -3.150 6.432 185 HA ASP 28 HA ASP 28 55.776 -3.220 8.667 186 1HB ASP 28 HB2 ASP 28 56.607 -5.449 7.176 187 2HB ASP 28 HB1 ASP 28 57.556 -5.522 8.662 188 H LYS 29 HN LYS 29 56.735 -2.025 10.275 189 HA LYS 29 HA LYS 29 58.460 -0.938 11.496 190 1HB LYS 29 HB2 LYS 29 58.309 -3.484 12.115 191 2HB LYS 29 HB1 LYS 29 59.857 -3.599 11.278 192 1HG LYS 29 HG2 LYS 29 60.860 -1.981 12.762 193 2HG LYS 29 HG1 LYS 29 59.299 -1.615 13.497 194 1HD LYS 29 HD2 LYS 29 59.283 -3.540 14.755 195 2HD LYS 29 HD1 LYS 29 60.173 -4.463 13.544 196 1HE LYS 29 HE2 LYS 29 62.218 -3.053 14.146 197 2HE LYS 29 HE1 LYS 29 61.286 -2.476 15.544 198 1HZ LYS 29 HZ1 LYS 29 60.909 -4.742 16.225 199 2HZ LYS 29 HZ2 LYS 29 62.581 -4.489 16.059 200 3HZ LYS 29 HZ3 LYS 29 61.723 -5.337 14.862 201 H SER 30 HN SER 30 58.920 0.136 9.216 202 HA SER 30 HA SER 30 61.784 -0.430 8.515 203 1HB SER 30 HB2 SER 30 59.675 0.463 6.550 204 2HB SER 30 HB1 SER 30 61.225 -0.313 6.217 205 HG SER 30 HG SER 30 60.178 -2.070 7.627 206 H GLU 31 HN GLU 31 62.225 1.601 6.767 207 HA GLU 31 HA GLU 31 61.242 4.119 8.030 208 1HB GLU 31 HB2 GLU 31 63.429 3.088 9.028 209 2HB GLU 31 HB1 GLU 31 64.181 3.680 7.546 210 1HG GLU 31 HG2 GLU 31 64.427 5.609 8.737 211 2HG GLU 31 HG1 GLU 31 62.740 5.869 8.291 212 H VAL 32 HN VAL 32 60.215 4.706 6.052 213 HA VAL 32 HA VAL 32 61.923 4.777 3.608 214 HB VAL 32 HB VAL 32 58.944 5.138 4.068 215 1HG1 VAL 32 HG11 VAL 32 60.226 6.112 1.956 216 2HG1 VAL 32 HG12 VAL 32 58.677 5.289 1.771 217 3HG1 VAL 32 HG13 VAL 32 60.179 4.428 1.434 218 1HG2 VAL 32 HG21 VAL 32 59.790 2.860 4.620 219 2HG2 VAL 32 HG22 VAL 32 60.524 2.764 3.018 220 3HG2 VAL 32 HG23 VAL 32 58.770 2.847 3.179 221 H TYR 33 HN TYR 33 62.490 6.740 2.683 222 HA TYR 33 HA TYR 33 61.299 9.233 3.840 223 1HB TYR 33 HB2 TYR 33 63.671 8.312 4.655 224 2HB TYR 33 HB1 TYR 33 64.218 9.094 3.170 225 HD1 TYR 33 HD1 TYR 33 64.279 11.480 2.963 226 HD2 TYR 33 HD2 TYR 33 62.468 9.649 6.400 227 HE1 TYR 33 HE1 TYR 33 64.172 13.691 4.084 228 HE2 TYR 33 HE2 TYR 33 62.361 11.859 7.522 229 HH TYR 33 HH TYR 33 63.311 14.825 5.828 230 H GLY 34 HN GLY 34 60.361 10.234 2.097 231 1HA GLY 34 HA2 GLY 34 59.987 10.844 -0.156 232 2HA GLY 34 HA1 GLY 34 61.669 11.367 -0.051 233 H THR 35 HN THR 35 60.203 8.106 -0.042 234 HA THR 35 HA THR 35 62.137 7.351 -2.192 235 HB THR 35 HB THR 35 60.453 5.612 -0.364 236 HG1 THR 35 HG1 THR 35 61.859 6.971 0.808 237 1HG2 THR 35 HG21 THR 35 62.090 3.890 -0.930 238 2HG2 THR 35 HG22 THR 35 63.002 5.045 -1.902 239 3HG2 THR 35 HG23 THR 35 61.390 4.544 -2.411 240 H THR 36 HN THR 36 61.256 5.822 -3.868 241 HA THR 36 HA THR 36 58.527 6.683 -4.692 242 HB THR 36 HB THR 36 59.284 6.042 -6.895 243 HG1 THR 36 HG1 THR 36 61.136 4.601 -5.388 244 1HG2 THR 36 HG21 THR 36 61.204 7.464 -7.149 245 2HG2 THR 36 HG22 THR 36 61.688 7.206 -5.474 246 3HG2 THR 36 HG23 THR 36 60.236 8.141 -5.839 247 H CYS 37 HN CYS 37 57.328 4.878 -5.976 248 HA CYS 37 HA CYS 37 57.754 2.132 -4.997 249 1HB CYS 37 HB2 CYS 37 56.160 3.980 -3.574 250 2HB CYS 37 HB1 CYS 37 55.028 2.916 -4.409 251 H THR 38 HN THR 38 56.760 0.639 -6.392 252 HA THR 38 HA THR 38 54.603 1.400 -8.210 253 HB THR 38 HB THR 38 56.584 2.531 -9.193 254 HG1 THR 38 HG1 THR 38 55.953 0.251 -10.732 255 1HG2 THR 38 HG21 THR 38 57.990 0.381 -8.258 256 2HG2 THR 38 HG22 THR 38 58.598 1.512 -9.467 257 3HG2 THR 38 HG23 THR 38 57.865 -0.010 -9.974 258 H GLY 39 HN GLY 39 55.128 -0.741 -6.302 259 1HA GLY 39 HA2 GLY 39 54.135 -2.998 -6.715 260 2HA GLY 39 HA1 GLY 39 55.127 -3.077 -8.172 261 H SER 40 HN SER 40 55.629 -2.434 -4.683 262 HA SER 40 HA SER 40 57.807 -4.476 -4.702 263 1HB SER 40 HB2 SER 40 58.628 -2.104 -5.155 264 2HB SER 40 HB1 SER 40 58.086 -1.695 -3.530 265 HG SER 40 HG SER 40 59.631 -3.982 -3.755 266 H ARG 41 HN ARG 41 58.596 -4.705 -2.280 267 HA ARG 41 HA ARG 41 56.390 -4.217 -0.339 268 1HB ARG 41 HB2 ARG 41 56.262 -6.470 -1.639 269 2HB ARG 41 HB1 ARG 41 57.644 -6.945 -0.649 270 1HG ARG 41 HG2 ARG 41 55.016 -5.910 0.457 271 2HG ARG 41 HG1 ARG 41 55.455 -7.615 0.359 272 1HD ARG 41 HD2 ARG 41 57.588 -6.930 1.687 273 2HD ARG 41 HD1 ARG 41 56.678 -5.459 2.089 274 HE ARG 41 HE ARG 41 54.815 -7.301 2.670 275 1HH1 ARG 41 HH2 ARG 41 57.857 -8.605 2.633 276 2HH1 ARG 41 HH2 ARG 41 57.916 -9.020 4.314 277 1HH2 ARG 41 HH1 ARG 41 55.028 -7.277 5.120 278 2HH2 ARG 41 HH1 ARG 41 56.313 -8.270 5.721 279 H PHE 42 HN PHE 42 57.338 -3.419 1.496 280 HA PHE 42 HA PHE 42 60.242 -3.929 1.946 281 1HB PHE 42 HB2 PHE 42 58.200 -1.890 2.774 282 2HB PHE 42 HB1 PHE 42 59.663 -2.075 3.740 283 HD1 PHE 42 HD1 PHE 42 59.445 -2.638 0.081 284 HD2 PHE 42 HD2 PHE 42 60.722 0.021 3.206 285 HE1 PHE 42 HE1 PHE 42 60.705 -1.296 -1.579 286 HE2 PHE 42 HE2 PHE 42 61.976 1.364 1.539 287 HZ PHE 42 HZ PHE 42 61.971 0.705 -0.848 288 H ASP 43 HN ASP 43 60.809 -4.115 4.392 289 HA ASP 43 HA ASP 43 58.921 -5.134 6.290 290 1HB ASP 43 HB2 ASP 43 58.622 -6.956 4.757 291 2HB ASP 43 HB1 ASP 43 60.361 -7.111 4.504 292 H GLY 44 HN GLY 44 60.254 -3.928 7.741 293 1HA GLY 44 HA2 GLY 44 61.975 -3.729 9.332 294 2HA GLY 44 HA1 GLY 44 62.490 -5.354 8.880 295 H VAL 45 HN VAL 45 62.481 -2.040 7.520 296 HA VAL 45 HA VAL 45 65.318 -2.459 6.712 297 HB VAL 45 HB VAL 45 62.941 -2.518 5.044 298 1HG1 VAL 45 HG11 VAL 45 64.884 -0.281 4.571 299 2HG1 VAL 45 HG12 VAL 45 63.135 -0.314 4.334 300 3HG1 VAL 45 HG13 VAL 45 64.198 -1.128 3.187 301 1HG2 VAL 45 HG21 VAL 45 64.263 -4.000 3.983 302 2HG2 VAL 45 HG22 VAL 45 65.485 -3.671 5.210 303 3HG2 VAL 45 HG23 VAL 45 65.500 -2.777 3.689 304 H THR 46 HN THR 46 66.387 -0.419 6.168 305 HA THR 46 HA THR 46 64.941 2.019 7.133 306 HB THR 46 HB THR 46 67.742 1.039 7.751 307 HG1 THR 46 HG1 THR 46 66.783 1.439 9.925 308 1HG2 THR 46 HG21 THR 46 66.795 3.697 7.444 309 2HG2 THR 46 HG22 THR 46 68.353 3.173 8.092 310 3HG2 THR 46 HG23 THR 46 66.983 3.411 9.177 311 H ILE 47 HN ILE 47 64.630 2.581 4.886 312 HA ILE 47 HA ILE 47 67.128 3.213 3.354 313 HB ILE 47 HB ILE 47 65.573 3.067 1.413 314 1HG1 ILE 47 HG12 ILE 47 63.308 1.903 2.689 315 2HG1 ILE 47 HG11 ILE 47 63.662 3.412 3.532 316 1HG2 ILE 47 HG21 ILE 47 64.690 0.596 2.439 317 2HG2 ILE 47 HG22 ILE 47 66.212 0.931 3.264 318 3HG2 ILE 47 HG23 ILE 47 66.154 0.891 1.502 319 1HD1 ILE 47 HD1 ILE 47 63.764 3.468 0.552 320 2HD1 ILE 47 HD1 ILE 47 63.236 4.714 1.684 321 3HD1 ILE 47 HD1 ILE 47 62.171 3.360 1.303 322 H THR 48 HN THR 48 66.937 5.299 2.036 323 HA THR 48 HA THR 48 65.173 7.296 3.413 324 HB THR 48 HB THR 48 67.780 7.082 3.917 325 HG1 THR 48 HG1 THR 48 67.705 9.500 4.043 326 1HG2 THR 48 HG21 THR 48 67.913 9.117 1.718 327 2HG2 THR 48 HG22 THR 48 68.125 7.412 1.326 328 3HG2 THR 48 HG23 THR 48 69.219 8.197 2.465 329 H THR 49 HN THR 49 66.108 9.491 1.819 330 HA THR 49 HA THR 49 64.377 9.591 -0.347 331 HB THR 49 HB THR 49 67.153 10.786 -0.369 332 HG1 THR 49 HG1 THR 49 66.668 11.868 1.355 333 1HG2 THR 49 HG21 THR 49 64.628 11.242 -1.750 334 2HG2 THR 49 HG22 THR 49 66.236 11.866 -2.120 335 3HG2 THR 49 HG23 THR 49 65.215 12.701 -0.949 336 H SER 50 HN SER 50 64.445 7.451 -1.394 337 HA SER 50 HA SER 50 66.626 7.287 -3.425 338 1HB SER 50 HB2 SER 50 65.578 4.942 -1.820 339 2HB SER 50 HB1 SER 50 66.965 4.955 -2.905 340 HG SER 50 HG SER 50 67.231 5.228 -0.470 341 H THR 51 HN THR 51 65.829 5.010 -4.716 342 HA THR 51 HA THR 51 62.920 5.188 -5.264 343 HB THR 51 HB THR 51 63.696 6.865 -6.744 344 HG1 THR 51 HG1 THR 51 63.958 4.515 -8.292 345 1HG2 THR 51 HG21 THR 51 65.792 5.717 -8.236 346 2HG2 THR 51 HG22 THR 51 66.155 5.367 -6.547 347 3HG2 THR 51 HG23 THR 51 65.911 7.034 -7.070 348 H SER 52 HN SER 52 63.435 2.965 -4.225 349 HA SER 52 HA SER 52 64.168 1.032 -6.399 350 1HB SER 52 HB2 SER 52 65.920 1.494 -4.591 351 2HB SER 52 HB1 SER 52 64.808 0.740 -3.452 352 HG SER 52 HG SER 52 66.049 -0.389 -5.736 353 H THR 53 HN THR 53 62.260 -0.020 -6.844 354 HA THR 53 HA THR 53 60.814 -1.327 -4.616 355 HB THR 53 HB THR 53 58.678 -0.329 -5.857 356 HG1 THR 53 HG1 THR 53 59.097 1.328 -7.069 357 1HG2 THR 53 HG21 THR 53 60.098 0.245 -3.517 358 2HG2 THR 53 HG22 THR 53 58.455 0.761 -3.900 359 3HG2 THR 53 HG23 THR 53 59.819 1.818 -4.265 360 H GLY 54 HN GLY 54 60.528 -3.398 -5.293 361 1HA GLY 54 HA2 GLY 54 59.171 -4.254 -7.575 362 2HA GLY 54 HA1 GLY 54 60.867 -4.187 -8.057 363 H SER 55 HN SER 55 61.691 -4.825 -5.229 364 HA SER 55 HA SER 55 60.999 -7.741 -5.249 365 1HB SER 55 HB2 SER 55 63.373 -7.975 -4.375 366 2HB SER 55 HB1 SER 55 63.256 -7.381 -6.029 367 HG SER 55 HG SER 55 63.337 -5.630 -3.813 368 H ARG 56 HN ARG 56 62.064 -8.515 -2.866 369 HA ARG 56 HA ARG 56 60.382 -7.042 -0.905 370 1HB ARG 56 HB2 ARG 56 61.767 -9.726 -1.043 371 2HB ARG 56 HB1 ARG 56 61.070 -9.133 0.466 372 1HG ARG 56 HG2 ARG 56 58.893 -9.232 -0.338 373 2HG ARG 56 HG1 ARG 56 59.397 -9.060 -2.021 374 1HD ARG 56 HD2 ARG 56 58.808 -11.342 -1.904 375 2HD ARG 56 HD1 ARG 56 60.559 -11.399 -1.611 376 HE ARG 56 HE ARG 56 59.415 -10.979 0.905 377 1HH1 ARG 56 HH1 ARG 56 60.537 -13.472 -0.945 378 2HH1 ARG 56 HH1 ARG 56 59.592 -14.720 -0.201 379 1HH2 ARG 56 HH2 ARG 56 57.603 -12.513 1.588 380 2HH2 ARG 56 HH2 ARG 56 57.931 -14.177 1.231 381 H ILE 57 HN ILE 57 61.430 -5.429 0.227 382 HA ILE 57 HA ILE 57 64.375 -5.641 0.634 383 HB ILE 57 HB ILE 57 62.275 -3.481 0.734 384 1HG1 ILE 57 HG12 ILE 57 63.791 -4.360 -1.312 385 2HG1 ILE 57 HG11 ILE 57 63.317 -2.672 -1.154 386 1HG2 ILE 57 HG21 ILE 57 64.362 -2.005 1.352 387 2HG2 ILE 57 HG22 ILE 57 64.971 -3.506 2.048 388 3HG2 ILE 57 HG23 ILE 57 63.452 -2.817 2.627 389 1HD1 ILE 57 HD1 ILE 57 65.435 -2.044 -0.274 390 2HD1 ILE 57 HD1 ILE 57 65.809 -3.145 -1.603 391 3HD1 ILE 57 HD1 ILE 57 65.880 -3.719 0.065 392 H SER 58 HN SER 58 65.085 -6.415 2.588 393 HA SER 58 HA SER 58 63.532 -5.762 5.048 394 1HB SER 58 HB2 SER 58 64.246 -8.509 3.994 395 2HB SER 58 HB1 SER 58 63.790 -8.228 5.672 396 HG SER 58 HG SER 58 61.860 -8.521 4.831 397 H GLY 59 HN GLY 59 64.856 -6.402 7.041 398 1HA GLY 59 HA2 GLY 59 67.401 -7.245 7.321 399 2HA GLY 59 HA1 GLY 59 67.678 -5.671 6.575 400 HA PRO 60 HA PRO 60 66.188 -5.311 11.147 401 1HB PRO 60 HB2 PRO 60 68.082 -6.543 12.698 402 2HB PRO 60 HB1 PRO 60 66.593 -7.353 12.170 403 1HG PRO 60 HG2 PRO 60 69.352 -7.558 11.068 404 2HG PRO 60 HG1 PRO 60 68.130 -8.820 11.292 405 1HD PRO 60 HD2 PRO 60 68.663 -7.664 8.885 406 2HD PRO 60 HD1 PRO 60 67.073 -8.328 9.319 407 H GLY 61 HN GLY 61 68.971 -4.970 9.298 408 1HA GLY 61 HA2 GLY 61 69.723 -2.493 10.697 409 2HA GLY 61 HA1 GLY 61 70.984 -3.727 10.590 410 H CYS 62 HN CYS 62 68.611 -3.538 8.068 411 HA CYS 62 HA CYS 62 70.632 -3.130 6.034 412 1HB CYS 62 HB2 CYS 62 68.733 -4.476 5.541 413 2HB CYS 62 HB1 CYS 62 67.615 -3.264 6.161 414 H LYS 63 HN LYS 63 71.069 -1.276 4.846 415 HA LYS 63 HA LYS 63 69.520 1.205 5.410 416 1HB LYS 63 HB2 LYS 63 71.773 0.640 6.797 417 2HB LYS 63 HB1 LYS 63 72.493 1.397 5.373 418 1HG LYS 63 HG2 LYS 63 70.442 2.586 7.258 419 2HG LYS 63 HG1 LYS 63 72.080 3.163 6.947 420 1HD LYS 63 HD2 LYS 63 71.269 3.359 4.470 421 2HD LYS 63 HD1 LYS 63 69.654 3.331 5.179 422 1HE LYS 63 HE2 LYS 63 70.125 5.634 5.171 423 2HE LYS 63 HE1 LYS 63 70.677 5.175 6.795 424 1HZ LYS 63 HZ1 LYS 63 72.339 5.357 4.339 425 2HZ LYS 63 HZ2 LYS 63 72.886 4.729 5.820 426 3HZ LYS 63 HZ3 LYS 63 72.433 6.363 5.700 427 H ILE 64 HN ILE 64 68.899 1.773 3.348 428 HA ILE 64 HA ILE 64 70.805 1.278 1.104 429 HB ILE 64 HB ILE 64 68.200 0.605 1.450 430 1HG1 ILE 64 HG12 ILE 64 69.327 1.430 -1.237 431 2HG1 ILE 64 HG11 ILE 64 69.811 -0.040 -0.389 432 1HG2 ILE 64 HG21 ILE 64 68.142 3.212 -0.101 433 2HG2 ILE 64 HG22 ILE 64 67.449 2.962 1.502 434 3HG2 ILE 64 HG23 ILE 64 66.785 2.105 0.109 435 1HD1 ILE 64 HD1 ILE 64 67.076 0.678 -1.453 436 2HD1 ILE 64 HD1 ILE 64 67.317 -0.616 -0.279 437 3HD1 ILE 64 HD1 ILE 64 68.073 -0.717 -1.870 438 H SER 65 HN SER 65 70.769 3.038 -0.635 439 HA SER 65 HA SER 65 70.177 5.765 0.364 440 1HB SER 65 HB2 SER 65 72.362 5.385 1.264 441 2HB SER 65 HB1 SER 65 72.917 4.629 -0.226 442 HG SER 65 HG SER 65 73.646 6.649 -0.427 443 H THR 66 HN THR 66 68.723 5.827 -1.472 444 HA THR 66 HA THR 66 68.163 6.305 -3.714 445 HB THR 66 HB THR 66 69.629 7.829 -4.729 446 HG1 THR 66 HG1 THR 66 71.990 7.568 -3.900 447 1HG2 THR 66 HG21 THR 66 70.954 8.010 -2.061 448 2HG2 THR 66 HG22 THR 66 69.198 8.152 -2.109 449 3HG2 THR 66 HG23 THR 66 70.198 9.276 -3.029 450 H CYS 67 HN CYS 67 67.747 4.578 -5.014 451 HA CYS 67 HA CYS 67 70.039 3.156 -6.277 452 1HB CYS 67 HB2 CYS 67 67.750 1.856 -4.763 453 2HB CYS 67 HB1 CYS 67 69.006 0.990 -5.651 454 H ILE 68 HN ILE 68 68.435 1.149 -7.482 455 HA ILE 68 HA ILE 68 66.689 2.808 -9.273 456 HB ILE 68 HB ILE 68 68.272 0.270 -9.806 457 1HG1 ILE 68 HG12 ILE 68 68.789 3.134 -10.670 458 2HG1 ILE 68 HG11 ILE 68 69.670 2.296 -9.394 459 1HG2 ILE 68 HG21 ILE 68 67.733 1.439 -12.224 460 2HG2 ILE 68 HG22 ILE 68 66.259 1.805 -11.328 461 3HG2 ILE 68 HG23 ILE 68 66.783 0.131 -11.522 462 1HD1 ILE 68 HD1 ILE 68 71.085 1.616 -11.023 463 2HD1 ILE 68 HD1 ILE 68 69.961 2.082 -12.300 464 3HD1 ILE 68 HD1 ILE 68 69.797 0.513 -11.512 465 H ILE 69 HN ILE 69 64.729 1.746 -10.052 466 HA ILE 69 HA ILE 69 63.614 -0.145 -8.066 467 HB ILE 69 HB ILE 69 61.504 0.543 -8.996 468 1HG1 ILE 69 HG12 ILE 69 61.870 2.234 -11.084 469 2HG1 ILE 69 HG11 ILE 69 63.203 1.115 -11.366 470 1HG2 ILE 69 HG21 ILE 69 63.463 2.859 -9.041 471 2HG2 ILE 69 HG22 ILE 69 62.605 2.250 -7.627 472 3HG2 ILE 69 HG23 ILE 69 61.710 3.021 -8.937 473 1HD1 ILE 69 HD1 ILE 69 60.310 0.686 -11.649 474 2HD1 ILE 69 HD1 ILE 69 61.122 -0.586 -10.736 475 3HD1 ILE 69 HD1 ILE 69 61.654 -0.200 -12.372 476 H THR 70 HN THR 70 63.656 -2.305 -8.475 477 HA THR 70 HA THR 70 63.246 -3.273 -11.257 478 HB THR 70 HB THR 70 65.536 -4.258 -9.548 479 HG1 THR 70 HG1 THR 70 65.481 -2.155 -11.444 480 1HG2 THR 70 HG21 THR 70 66.283 -5.311 -11.494 481 2HG2 THR 70 HG22 THR 70 65.383 -4.219 -12.546 482 3HG2 THR 70 HG23 THR 70 64.532 -5.469 -11.640 483 H GLY 71 HN GLY 71 62.422 -5.446 -11.299 484 1HA GLY 71 HA2 GLY 71 61.105 -6.279 -8.821 485 2HA GLY 71 HA1 GLY 71 60.958 -7.074 -10.389 486 H GLY 72 HN GLY 72 63.767 -6.381 -8.275 487 1HA GLY 72 HA2 GLY 72 64.515 -8.531 -7.005 488 2HA GLY 72 HA1 GLY 72 64.560 -9.235 -8.621 489 H VAL 73 HN VAL 73 66.111 -6.963 -6.448 490 HA VAL 73 HA VAL 73 68.158 -6.197 -8.434 491 HB VAL 73 HB VAL 73 68.970 -4.835 -6.548 492 1HG1 VAL 73 HG11 VAL 73 66.365 -4.085 -5.926 493 2HG1 VAL 73 HG12 VAL 73 66.211 -4.847 -7.510 494 3HG1 VAL 73 HG13 VAL 73 67.314 -3.488 -7.287 495 1HG2 VAL 73 HG21 VAL 73 66.808 -6.172 -4.900 496 2HG2 VAL 73 HG22 VAL 73 68.031 -5.030 -4.342 497 3HG2 VAL 73 HG23 VAL 73 68.502 -6.655 -4.840 498 HA PRO 74 HA PRO 74 71.132 -9.240 -7.362 499 1HB PRO 74 HB2 PRO 74 73.466 -7.809 -7.289 500 2HB PRO 74 HB1 PRO 74 72.617 -8.206 -8.796 501 1HG PRO 74 HG2 PRO 74 72.633 -5.660 -7.251 502 2HG PRO 74 HG1 PRO 74 72.652 -5.919 -9.003 503 1HD PRO 74 HD2 PRO 74 70.416 -5.217 -7.620 504 2HD PRO 74 HD1 PRO 74 70.378 -6.158 -9.126 505 H ALA 75 HN ALA 75 73.079 -9.594 -5.728 506 HA ALA 75 HA ALA 75 72.039 -9.010 -3.058 507 1HB ALA 75 HB1 ALA 75 72.910 -11.127 -3.127 508 2HB ALA 75 HB2 ALA 75 74.399 -10.290 -2.688 509 3HB ALA 75 HB3 ALA 75 74.087 -10.709 -4.373 510 HA PRO 76 HA PRO 76 76.206 -6.699 -2.658 511 1HB PRO 76 HB2 PRO 76 77.607 -6.143 -4.942 512 2HB PRO 76 HB1 PRO 76 77.838 -7.629 -3.998 513 1HG PRO 76 HG2 PRO 76 76.321 -7.203 -6.516 514 2HG PRO 76 HG1 PRO 76 77.296 -8.588 -6.004 515 1HD PRO 76 HD2 PRO 76 74.563 -8.522 -5.922 516 2HD PRO 76 HD1 PRO 76 75.562 -9.553 -4.875 517 H SER 77 HN SER 77 74.493 -6.008 -5.712 518 HA SER 77 HA SER 77 73.481 -3.994 -6.450 519 1HB SER 77 HB2 SER 77 73.827 -2.786 -3.753 520 2HB SER 77 HB1 SER 77 72.377 -2.913 -4.745 521 HG SER 77 HG SER 77 73.317 -4.561 -2.792 522 H ALA 78 HN ALA 78 76.333 -4.262 -6.762 523 HA ALA 78 HA ALA 78 78.028 -2.261 -5.881 524 1HB ALA 78 HB1 ALA 78 79.214 -2.667 -7.884 525 2HB ALA 78 HB2 ALA 78 77.735 -2.861 -8.825 526 3HB ALA 78 HB3 ALA 78 78.242 -4.129 -7.708 527 H ALA 79 HN ALA 79 75.227 -1.959 -7.946 528 HA ALA 79 HA ALA 79 75.747 0.811 -8.750 529 1HB ALA 79 HB1 ALA 79 73.122 0.299 -9.264 530 2HB ALA 79 HB2 ALA 79 73.735 -1.349 -9.113 531 3HB ALA 79 HB3 ALA 79 74.429 -0.253 -10.311 532 H CYS 80 HN CYS 80 72.989 -0.623 -6.990 533 HA CYS 80 HA CYS 80 72.196 1.812 -5.706 534 1HB CYS 80 HB2 CYS 80 70.607 0.073 -5.948 535 2HB CYS 80 HB1 CYS 80 71.714 -1.144 -5.317 536 H LYS 81 HN LYS 81 72.353 2.275 -3.365 537 HA LYS 81 HA LYS 81 74.962 1.359 -2.226 538 1HB LYS 81 HB2 LYS 81 73.274 3.826 -2.135 539 2HB LYS 81 HB1 LYS 81 74.265 3.465 -0.721 540 1HG LYS 81 HG2 LYS 81 75.396 4.911 -2.469 541 2HG LYS 81 HG1 LYS 81 76.277 3.448 -2.031 542 1HD LYS 81 HD2 LYS 81 75.437 2.296 -4.009 543 2HD LYS 81 HD1 LYS 81 74.439 3.689 -4.429 544 1HE LYS 81 HE2 LYS 81 76.408 3.881 -5.789 545 2HE LYS 81 HE1 LYS 81 76.647 5.037 -4.462 546 1HZ LYS 81 HZ1 LYS 81 77.660 2.245 -4.579 547 2HZ LYS 81 HZ2 LYS 81 77.780 3.257 -3.220 548 3HZ LYS 81 HZ3 LYS 81 78.595 3.658 -4.655 549 H ILE 82 HN ILE 82 74.145 -0.627 -1.296 550 HA ILE 82 HA ILE 82 72.251 -0.214 0.996 551 HB ILE 82 HB ILE 82 71.221 -1.449 -0.827 552 1HG1 ILE 82 HG12 ILE 82 71.039 -2.242 1.638 553 2HG1 ILE 82 HG11 ILE 82 70.503 -3.348 0.376 554 1HG2 ILE 82 HG21 ILE 82 72.679 -3.831 -1.032 555 2HG2 ILE 82 HG22 ILE 82 73.899 -2.559 -1.053 556 3HG2 ILE 82 HG23 ILE 82 72.591 -2.546 -2.237 557 1HD1 ILE 82 HD1 ILE 82 73.327 -3.723 0.833 558 2HD1 ILE 82 HD1 ILE 82 72.014 -4.883 1.032 559 3HD1 ILE 82 HD1 ILE 82 72.464 -3.824 2.367 560 H SER 83 HN SER 83 72.718 -1.534 2.892 561 HA SER 83 HA SER 83 75.314 -2.987 2.907 562 1HB SER 83 HB2 SER 83 74.682 -0.362 4.124 563 2HB SER 83 HB1 SER 83 75.537 -1.489 5.174 564 HG SER 83 HG SER 83 77.243 -1.382 3.909 565 H GLY 84 HN GLY 84 73.995 -4.885 3.348 566 1HA GLY 84 HA2 GLY 84 73.493 -6.417 5.151 567 2HA GLY 84 HA1 GLY 84 73.157 -5.036 6.193 568 H CYS 85 HN CYS 85 71.907 -6.344 3.087 569 HA CYS 85 HA CYS 85 69.154 -6.093 4.234 570 1HB CYS 85 HB2 CYS 85 70.276 -4.299 2.480 571 2HB CYS 85 HB1 CYS 85 69.462 -5.415 1.385 572 H THR 86 HN THR 86 67.552 -7.239 2.706 573 HA THR 86 HA THR 86 68.778 -9.514 1.210 574 HB THR 86 HB THR 86 66.498 -10.110 3.026 575 HG1 THR 86 HG1 THR 86 68.698 -10.382 4.462 576 1HG2 THR 86 HG21 THR 86 67.620 -12.214 3.237 577 2HG2 THR 86 HG22 THR 86 69.131 -11.542 2.622 578 3HG2 THR 86 HG23 THR 86 67.754 -11.750 1.540 579 H PHE 87 HN PHE 87 67.760 -9.444 -0.792 580 HA PHE 87 HA PHE 87 64.816 -9.075 -0.824 581 1HB PHE 87 HB2 PHE 87 65.540 -7.459 -2.911 582 2HB PHE 87 HB1 PHE 87 65.164 -6.871 -1.298 583 HD1 PHE 87 HD1 PHE 87 66.668 -5.328 -0.450 584 HD2 PHE 87 HD2 PHE 87 68.117 -8.476 -2.995 585 HE1 PHE 87 HE1 PHE 87 68.977 -4.445 -0.234 586 HE2 PHE 87 HE2 PHE 87 70.425 -7.591 -2.773 587 HZ PHE 87 HZ PHE 87 70.853 -5.576 -1.394 588 H SER 88 HN SER 88 63.791 -9.918 -2.659 589 HA SER 88 HA SER 88 65.302 -10.987 -4.922 590 1HB SER 88 HB2 SER 88 65.050 -13.298 -4.376 591 2HB SER 88 HB1 SER 88 65.618 -12.544 -2.890 592 HG SER 88 HG SER 88 63.794 -13.923 -2.575 593 H ALA 89 HN ALA 89 63.526 -9.379 -5.635 594 HA ALA 89 HA ALA 89 61.462 -9.038 -6.730 595 1HB ALA 89 HB1 ALA 89 62.155 -11.879 -6.871 596 2HB ALA 89 HB2 ALA 89 61.501 -10.825 -8.125 597 3HB ALA 89 HB3 ALA 89 60.415 -11.607 -6.976 598 H ASN 90 HN ASN 90 59.077 -9.215 -6.324 599 HA ASN 90 HA ASN 90 58.454 -10.090 -3.526 600 1HB ASN 90 HB2 ASN 90 57.499 -7.999 -3.076 601 2HB ASN 90 HB1 ASN 90 58.860 -7.551 -4.103 602 1HD2 ASN 90 HD2 ASN 90 58.300 -6.175 -5.789 603 2HD2 ASN 90 HD2 ASN 90 56.762 -6.071 -6.499 Start of MODEL 4 1 1H ASP 1 HT1 ASP 1 44.879 8.877 1.026 2 2H ASP 1 HT2 ASP 1 46.252 7.909 1.285 3 3H ASP 1 HT3 ASP 1 46.428 9.517 0.766 4 HA ASP 1 HA ASP 1 46.893 9.719 3.013 5 1HB ASP 1 HB2 ASP 1 44.071 10.237 2.174 6 2HB ASP 1 HB1 ASP 1 44.466 10.457 3.879 7 H GLY 2 HN GLY 2 47.448 7.986 4.319 8 1HA GLY 2 HA2 GLY 2 45.193 6.419 5.494 9 2HA GLY 2 HA1 GLY 2 46.638 5.589 4.915 10 H SER 3 HN SER 3 48.312 5.361 6.337 11 HA SER 3 HA SER 3 48.020 6.244 9.083 12 1HB SER 3 HB2 SER 3 49.131 4.176 8.591 13 2HB SER 3 HB1 SER 3 50.208 4.954 7.434 14 HG SER 3 HG SER 3 50.184 5.906 10.058 15 H CYS 4 HN CYS 4 49.281 7.708 6.247 16 HA CYS 4 HA CYS 4 49.813 10.225 7.381 17 1HB CYS 4 HB2 CYS 4 52.423 9.955 7.364 18 2HB CYS 4 HB1 CYS 4 51.518 9.376 8.758 19 H THR 5 HN THR 5 51.451 7.946 5.139 20 HA THR 5 HA THR 5 50.848 9.811 2.900 21 HB THR 5 HB THR 5 53.073 10.392 3.871 22 HG1 THR 5 HG1 THR 5 53.612 9.075 1.463 23 1HG2 THR 5 HG21 THR 5 54.914 8.744 3.658 24 2HG2 THR 5 HG22 THR 5 53.750 7.533 3.122 25 3HG2 THR 5 HG23 THR 5 53.657 8.181 4.759 26 H ASN 6 HN ASN 6 49.562 7.379 3.335 27 HA ASN 6 HA ASN 6 50.700 5.698 1.135 28 1HB ASN 6 HB2 ASN 6 50.102 5.038 3.986 29 2HB ASN 6 HB1 ASN 6 49.742 3.804 2.779 30 1HD2 ASN 6 HD2 ASN 6 51.475 2.386 2.607 31 2HD2 ASN 6 HD2 ASN 6 53.112 2.832 2.665 32 H THR 7 HN THR 7 49.122 5.609 -0.413 33 HA THR 7 HA THR 7 46.255 5.751 0.417 34 HB THR 7 HB THR 7 45.970 6.239 -2.043 35 HG1 THR 7 HG1 THR 7 48.184 6.832 -2.938 36 1HG2 THR 7 HG21 THR 7 46.076 8.218 -0.851 37 2HG2 THR 7 HG22 THR 7 47.503 8.403 -1.871 38 3HG2 THR 7 HG23 THR 7 47.677 7.861 -0.202 39 H ASN 8 HN ASN 8 45.577 3.652 0.848 40 HA ASN 8 HA ASN 8 44.859 1.458 0.282 41 1HB ASN 8 HB2 ASN 8 45.285 2.787 -2.151 42 2HB ASN 8 HB1 ASN 8 46.189 1.279 -2.302 43 1HD2 ASN 8 HD2 ASN 8 42.930 2.500 -1.363 44 2HD2 ASN 8 HD2 ASN 8 42.102 1.102 -1.862 45 H SER 9 HN SER 9 47.981 2.570 0.597 46 HA SER 9 HA SER 9 49.193 -0.161 0.407 47 1HB SER 9 HB2 SER 9 51.184 1.768 0.799 48 2HB SER 9 HB1 SER 9 50.734 1.040 -0.738 49 HG SER 9 HG SER 9 49.705 3.410 0.442 50 H GLN 10 HN GLN 10 51.081 -0.310 2.160 51 HA GLN 10 HA GLN 10 50.078 0.802 4.759 52 1HB GLN 10 HB2 GLN 10 49.440 -1.598 4.293 53 2HB GLN 10 HB1 GLN 10 51.160 -1.988 4.259 54 1HG GLN 10 HG2 GLN 10 51.429 -1.240 6.557 55 2HG GLN 10 HG1 GLN 10 49.757 -0.680 6.607 56 1HE2 GLN 10 HE21 GLN 10 48.147 -2.606 5.861 57 2HE2 GLN 10 HE22 GLN 10 48.455 -4.097 6.613 58 H LEU 11 HN LEU 11 51.716 2.162 5.420 59 HA LEU 11 HA LEU 11 54.520 1.572 4.702 60 1HB LEU 11 HB2 LEU 11 53.238 3.846 4.725 61 2HB LEU 11 HB1 LEU 11 53.527 3.807 6.466 62 HG LEU 11 HG LEU 11 55.997 3.294 5.798 63 1HD1 LEU 11 HD1 LEU 11 56.610 4.358 3.622 64 2HD1 LEU 11 HD1 LEU 11 54.891 4.521 3.256 65 3HD1 LEU 11 HD1 LEU 11 55.610 2.919 3.422 66 1HD2 LEU 11 HD2 LEU 11 55.683 5.336 6.878 67 2HD2 LEU 11 HD2 LEU 11 54.530 5.911 5.674 68 3HD2 LEU 11 HD2 LEU 11 56.253 5.878 5.300 69 H SER 12 HN SER 12 53.741 -0.480 6.284 70 HA SER 12 HA SER 12 54.380 -1.633 8.243 71 1HB SER 12 HB2 SER 12 56.560 -1.065 8.386 72 2HB SER 12 HB1 SER 12 56.236 0.542 7.762 73 HG SER 12 HG SER 12 56.349 1.270 9.724 74 H ALA 13 HN ALA 13 52.431 0.979 8.214 75 HA ALA 13 HA ALA 13 51.017 1.985 9.817 76 1HB ALA 13 HB1 ALA 13 51.596 -0.175 11.761 77 2HB ALA 13 HB2 ALA 13 51.095 -0.717 10.160 78 3HB ALA 13 HB3 ALA 13 50.051 0.352 11.095 79 H ASN 14 HN ASN 14 54.174 2.183 10.064 80 HA ASN 14 HA ASN 14 54.243 4.077 12.180 81 1HB ASN 14 HB2 ASN 14 55.515 2.513 13.828 82 2HB ASN 14 HB1 ASN 14 53.760 2.376 13.739 83 1HD2 ASN 14 HD2 ASN 14 56.717 0.940 12.250 84 2HD2 ASN 14 HD2 ASN 14 56.051 -0.612 12.076 85 H SER 15 HN SER 15 55.475 3.404 9.524 86 HA SER 15 HA SER 15 58.364 3.142 10.159 87 1HB SER 15 HB2 SER 15 58.478 2.396 7.985 88 2HB SER 15 HB1 SER 15 56.734 2.257 8.145 89 HG SER 15 HG SER 15 58.048 3.752 6.463 90 H LYS 16 HN LYS 16 58.993 4.854 7.757 91 HA LYS 16 HA LYS 16 58.765 7.502 9.137 92 1HB LYS 16 HB2 LYS 16 60.955 6.194 8.325 93 2HB LYS 16 HB1 LYS 16 60.561 6.986 6.800 94 1HG LYS 16 HG2 LYS 16 61.604 8.813 7.613 95 2HG LYS 16 HG1 LYS 16 60.232 8.993 8.709 96 1HD LYS 16 HD2 LYS 16 61.362 7.594 10.383 97 2HD LYS 16 HD1 LYS 16 62.726 7.365 9.288 98 1HE LYS 16 HE2 LYS 16 63.637 9.236 10.194 99 2HE LYS 16 HE1 LYS 16 62.333 10.160 9.424 100 1HZ LYS 16 HZ1 LYS 16 60.917 9.402 11.361 101 2HZ LYS 16 HZ2 LYS 16 62.101 10.570 11.712 102 3HZ LYS 16 HZ3 LYS 16 62.361 8.943 12.124 103 H CYS 17 HN CYS 17 56.872 8.423 8.353 104 HA CYS 17 HA CYS 17 56.020 8.098 5.573 105 1HB CYS 17 HB2 CYS 17 55.049 9.968 7.755 106 2HB CYS 17 HB1 CYS 17 54.148 9.457 6.328 107 H GLU 18 HN GLU 18 58.451 9.118 5.161 108 HA GLU 18 HA GLU 18 58.405 12.069 5.200 109 1HB GLU 18 HB2 GLU 18 60.309 9.956 5.090 110 2HB GLU 18 HB1 GLU 18 60.519 10.920 3.628 111 1HG GLU 18 HG2 GLU 18 61.889 11.793 5.504 112 2HG GLU 18 HG1 GLU 18 60.684 12.966 4.973 113 H LYS 19 HN LYS 19 56.241 11.384 3.733 114 HA LYS 19 HA LYS 19 55.235 11.633 1.610 115 1HB LYS 19 HB2 LYS 19 57.851 13.140 1.419 116 2HB LYS 19 HB1 LYS 19 56.673 13.153 0.105 117 1HG LYS 19 HG2 LYS 19 54.972 14.084 1.565 118 2HG LYS 19 HG1 LYS 19 56.035 13.931 2.964 119 1HD LYS 19 HD2 LYS 19 56.911 15.525 0.567 120 2HD LYS 19 HD1 LYS 19 55.853 16.251 1.778 121 1HE LYS 19 HE2 LYS 19 58.082 14.814 3.014 122 2HE LYS 19 HE1 LYS 19 58.632 16.118 1.943 123 1HZ LYS 19 HZ1 LYS 19 57.845 16.609 4.398 124 2HZ LYS 19 HZ2 LYS 19 56.317 16.638 3.654 125 3HZ LYS 19 HZ3 LYS 19 57.539 17.699 3.135 126 H SER 20 HN SER 20 56.137 11.508 -0.937 127 HA SER 20 HA SER 20 56.968 10.049 -2.600 128 1HB SER 20 HB2 SER 20 58.924 10.360 -0.573 129 2HB SER 20 HB1 SER 20 58.898 8.646 -0.975 130 HG SER 20 HG SER 20 60.252 9.614 -2.427 131 H THR 21 HN THR 21 54.893 8.869 -2.427 132 HA THR 21 HA THR 21 55.296 6.042 -1.758 133 HB THR 21 HB THR 21 53.129 7.576 -0.306 134 HG1 THR 21 HG1 THR 21 55.285 6.760 1.166 135 1HG2 THR 21 HG21 THR 21 53.758 4.833 -0.638 136 2HG2 THR 21 HG22 THR 21 52.540 5.535 0.426 137 3HG2 THR 21 HG23 THR 21 54.174 5.249 1.023 138 H LEU 22 HN LEU 22 53.599 4.732 -2.691 139 HA LEU 22 HA LEU 22 51.761 6.254 -4.510 140 1HB LEU 22 HB2 LEU 22 53.722 4.905 -5.445 141 2HB LEU 22 HB1 LEU 22 52.874 3.462 -4.887 142 HG LEU 22 HG LEU 22 50.885 4.828 -6.213 143 1HD1 LEU 22 HD1 LEU 22 52.244 5.149 -8.491 144 2HD1 LEU 22 HD1 LEU 22 53.552 5.520 -7.367 145 3HD1 LEU 22 HD1 LEU 22 52.064 6.466 -7.332 146 1HD2 LEU 22 HD2 LEU 22 50.825 2.899 -7.427 147 2HD2 LEU 22 HD2 LEU 22 52.110 2.376 -6.337 148 3HD2 LEU 22 HD2 LEU 22 52.513 3.047 -7.918 149 H THR 23 HN THR 23 51.028 3.053 -4.805 150 HA THR 23 HA THR 23 49.286 2.845 -2.414 151 HB THR 23 HB THR 23 48.012 4.213 -3.977 152 HG1 THR 23 HG1 THR 23 46.286 3.031 -3.752 153 1HG2 THR 23 HG21 THR 23 49.323 3.533 -5.996 154 2HG2 THR 23 HG22 THR 23 47.580 3.502 -6.261 155 3HG2 THR 23 HG23 THR 23 48.458 1.996 -5.995 156 H ASN 24 HN ASN 24 51.526 1.250 -3.403 157 HA ASN 24 HA ASN 24 50.160 -1.368 -3.542 158 1HB ASN 24 HB2 ASN 24 51.791 -0.112 -5.751 159 2HB ASN 24 HB1 ASN 24 51.628 -1.864 -5.623 160 1HD2 ASN 24 HD2 ASN 24 49.211 -2.610 -5.371 161 2HD2 ASN 24 HD2 ASN 24 48.074 -1.792 -6.327 162 H CYS 25 HN CYS 25 51.686 -0.504 -1.417 163 HA CYS 25 HA CYS 25 54.028 -2.320 -1.585 164 1HB CYS 25 HB2 CYS 25 55.464 -0.440 -0.653 165 2HB CYS 25 HB1 CYS 25 54.955 -0.227 -2.325 166 H TYR 26 HN TYR 26 53.737 -3.579 0.197 167 HA TYR 26 HA TYR 26 52.505 -2.391 2.640 168 1HB TYR 26 HB2 TYR 26 53.071 -5.233 1.729 169 2HB TYR 26 HB1 TYR 26 52.260 -4.812 3.238 170 HD1 TYR 26 HD1 TYR 26 49.981 -4.027 3.268 171 HD2 TYR 26 HD2 TYR 26 52.004 -4.718 -0.459 172 HE1 TYR 26 HE1 TYR 26 47.822 -3.842 2.062 173 HE2 TYR 26 HE2 TYR 26 49.843 -4.533 -1.665 174 HH TYR 26 HH TYR 26 47.190 -3.166 -0.485 175 H VAL 27 HN VAL 27 54.251 -1.379 3.701 176 HA VAL 27 HA VAL 27 56.808 -2.862 3.996 177 HB VAL 27 HB VAL 27 56.015 -0.135 5.067 178 1HG1 VAL 27 HG11 VAL 27 58.150 -0.129 5.761 179 2HG1 VAL 27 HG12 VAL 27 58.669 -0.239 4.078 180 3HG1 VAL 27 HG13 VAL 27 58.428 -1.706 5.026 181 1HG2 VAL 27 HG21 VAL 27 56.125 -1.005 2.331 182 2HG2 VAL 27 HG22 VAL 27 57.472 0.093 2.632 183 3HG2 VAL 27 HG23 VAL 27 55.819 0.617 2.954 184 H ASP 28 HN ASP 28 57.768 -2.918 6.263 185 HA ASP 28 HA ASP 28 55.752 -2.981 8.459 186 1HB ASP 28 HB2 ASP 28 56.929 -5.236 7.039 187 2HB ASP 28 HB1 ASP 28 57.298 -5.302 8.764 188 H LYS 29 HN LYS 29 56.681 -1.943 10.201 189 HA LYS 29 HA LYS 29 58.392 -0.905 11.493 190 1HB LYS 29 HB2 LYS 29 58.326 -3.587 11.747 191 2HB LYS 29 HB1 LYS 29 59.967 -3.416 11.126 192 1HG LYS 29 HG2 LYS 29 59.999 -1.455 12.980 193 2HG LYS 29 HG1 LYS 29 58.826 -2.539 13.728 194 1HD LYS 29 HD2 LYS 29 61.036 -4.077 12.692 195 2HD LYS 29 HD1 LYS 29 61.647 -2.794 13.737 196 1HE LYS 29 HE2 LYS 29 60.761 -3.745 15.616 197 2HE LYS 29 HE1 LYS 29 59.261 -4.204 14.785 198 1HZ LYS 29 HZ1 LYS 29 60.729 -5.830 13.516 199 2HZ LYS 29 HZ2 LYS 29 60.362 -6.221 15.128 200 3HZ LYS 29 HZ3 LYS 29 61.883 -5.573 14.732 201 H SER 30 HN SER 30 58.751 0.255 9.177 202 HA SER 30 HA SER 30 61.642 -0.144 8.474 203 1HB SER 30 HB2 SER 30 59.569 0.790 6.513 204 2HB SER 30 HB1 SER 30 61.082 -0.060 6.203 205 HG SER 30 HG SER 30 60.169 -1.933 6.814 206 H GLU 31 HN GLU 31 62.285 1.884 7.038 207 HA GLU 31 HA GLU 31 61.058 4.389 8.059 208 1HB GLU 31 HB2 GLU 31 63.771 3.273 8.640 209 2HB GLU 31 HB1 GLU 31 63.637 5.018 8.414 210 1HG GLU 31 HG2 GLU 31 61.535 4.663 10.045 211 2HG GLU 31 HG1 GLU 31 62.517 3.298 10.575 212 H VAL 32 HN VAL 32 60.490 5.150 5.994 213 HA VAL 32 HA VAL 32 62.651 5.132 3.918 214 HB VAL 32 HB VAL 32 60.806 5.154 2.322 215 1HG1 VAL 32 HG11 VAL 32 61.292 2.936 2.992 216 2HG1 VAL 32 HG12 VAL 32 59.544 3.061 3.196 217 3HG1 VAL 32 HG13 VAL 32 60.604 3.177 4.601 218 1HG2 VAL 32 HG21 VAL 32 59.244 6.617 3.437 219 2HG2 VAL 32 HG22 VAL 32 59.103 5.513 4.805 220 3HG2 VAL 32 HG23 VAL 32 58.441 5.059 3.236 221 H TYR 33 HN TYR 33 63.441 7.092 3.276 222 HA TYR 33 HA TYR 33 61.946 9.557 4.108 223 1HB TYR 33 HB2 TYR 33 64.275 8.781 5.089 224 2HB TYR 33 HB1 TYR 33 64.902 9.439 3.578 225 HD1 TYR 33 HD1 TYR 33 63.954 11.840 2.930 226 HD2 TYR 33 HD2 TYR 33 64.017 10.215 6.906 227 HE1 TYR 33 HE1 TYR 33 63.810 14.131 3.869 228 HE2 TYR 33 HE2 TYR 33 63.871 12.507 7.846 229 HH TYR 33 HH TYR 33 63.174 15.258 5.873 230 H GLY 34 HN GLY 34 60.839 9.840 2.089 231 1HA GLY 34 HA2 GLY 34 60.688 10.814 -0.054 232 2HA GLY 34 HA1 GLY 34 62.437 11.051 -0.018 233 H THR 35 HN THR 35 60.874 7.931 0.496 234 HA THR 35 HA THR 35 62.229 6.956 -1.991 235 HB THR 35 HB THR 35 61.367 5.658 0.609 236 HG1 THR 35 HG1 THR 35 63.376 6.899 0.380 237 1HG2 THR 35 HG21 THR 35 61.569 4.465 -1.975 238 2HG2 THR 35 HG22 THR 35 61.300 3.667 -0.426 239 3HG2 THR 35 HG23 THR 35 62.944 3.915 -1.017 240 H THR 36 HN THR 36 61.026 5.706 -3.478 241 HA THR 36 HA THR 36 58.073 6.012 -3.289 242 HB THR 36 HB THR 36 59.287 6.813 -5.280 243 HG1 THR 36 HG1 THR 36 57.244 6.014 -5.661 244 1HG2 THR 36 HG21 THR 36 60.231 3.942 -5.378 245 2HG2 THR 36 HG22 THR 36 61.218 5.402 -5.303 246 3HG2 THR 36 HG23 THR 36 60.317 5.022 -6.770 247 H CYS 37 HN CYS 37 56.684 4.176 -3.552 248 HA CYS 37 HA CYS 37 58.007 1.496 -3.398 249 1HB CYS 37 HB2 CYS 37 56.571 0.923 -1.537 250 2HB CYS 37 HB1 CYS 37 57.332 2.464 -1.157 251 H THR 38 HN THR 38 57.102 2.192 -5.816 252 HA THR 38 HA THR 38 54.285 1.859 -6.290 253 HB THR 38 HB THR 38 56.648 1.301 -8.115 254 HG1 THR 38 HG1 THR 38 57.016 3.320 -7.583 255 1HG2 THR 38 HG21 THR 38 55.173 1.529 -9.896 256 2HG2 THR 38 HG22 THR 38 54.031 2.493 -8.958 257 3HG2 THR 38 HG23 THR 38 54.130 0.750 -8.705 258 H GLY 39 HN GLY 39 55.945 -0.402 -8.235 259 1HA GLY 39 HA2 GLY 39 54.412 -2.600 -7.065 260 2HA GLY 39 HA1 GLY 39 55.472 -2.709 -8.474 261 H SER 40 HN SER 40 55.731 -2.125 -4.944 262 HA SER 40 HA SER 40 57.978 -4.089 -4.881 263 1HB SER 40 HB2 SER 40 58.707 -1.648 -5.208 264 2HB SER 40 HB1 SER 40 58.108 -1.360 -3.577 265 HG SER 40 HG SER 40 59.607 -2.763 -2.785 266 H ARG 41 HN ARG 41 58.562 -4.601 -2.557 267 HA ARG 41 HA ARG 41 56.317 -4.146 -0.636 268 1HB ARG 41 HB2 ARG 41 55.791 -6.259 -1.562 269 2HB ARG 41 HB1 ARG 41 57.487 -6.726 -1.679 270 1HG ARG 41 HG2 ARG 41 56.185 -7.832 0.206 271 2HG ARG 41 HG1 ARG 41 57.666 -7.008 0.694 272 1HD ARG 41 HD2 ARG 41 56.517 -5.281 1.763 273 2HD ARG 41 HD1 ARG 41 55.094 -5.451 0.713 274 HE ARG 41 HE ARG 41 55.688 -7.092 3.088 275 1HH1 ARG 41 HH2 ARG 41 54.070 -6.875 0.051 276 2HH1 ARG 41 HH2 ARG 41 52.735 -7.863 0.543 277 1HH2 ARG 41 HH1 ARG 41 53.899 -8.290 3.781 278 2HH2 ARG 41 HH1 ARG 41 52.638 -8.663 2.655 279 H PHE 42 HN PHE 42 57.203 -3.419 1.264 280 HA PHE 42 HA PHE 42 60.103 -3.952 1.768 281 1HB PHE 42 HB2 PHE 42 58.105 -1.831 2.465 282 2HB PHE 42 HB1 PHE 42 59.488 -2.058 3.530 283 HD1 PHE 42 HD1 PHE 42 59.338 -2.528 -0.171 284 HD2 PHE 42 HD2 PHE 42 60.829 -0.158 3.089 285 HE1 PHE 42 HE1 PHE 42 60.758 -1.246 -1.755 286 HE2 PHE 42 HE2 PHE 42 62.240 1.129 1.512 287 HZ PHE 42 HZ PHE 42 62.211 0.581 -0.912 288 H ASP 43 HN ASP 43 60.533 -3.962 4.278 289 HA ASP 43 HA ASP 43 58.654 -4.914 6.175 290 1HB ASP 43 HB2 ASP 43 58.271 -6.808 4.769 291 2HB ASP 43 HB1 ASP 43 59.990 -6.988 4.418 292 H GLY 44 HN GLY 44 59.887 -4.009 7.818 293 1HA GLY 44 HA2 GLY 44 61.723 -3.647 9.244 294 2HA GLY 44 HA1 GLY 44 62.220 -5.291 8.819 295 H VAL 45 HN VAL 45 62.113 -2.031 7.347 296 HA VAL 45 HA VAL 45 64.885 -2.489 6.329 297 HB VAL 45 HB VAL 45 62.320 -1.995 4.823 298 1HG1 VAL 45 HG11 VAL 45 63.470 -0.419 3.643 299 2HG1 VAL 45 HG12 VAL 45 64.180 -1.833 2.864 300 3HG1 VAL 45 HG13 VAL 45 65.043 -1.022 4.171 301 1HG2 VAL 45 HG21 VAL 45 63.287 -3.825 3.404 302 2HG2 VAL 45 HG22 VAL 45 63.008 -4.310 5.076 303 3HG2 VAL 45 HG23 VAL 45 64.640 -3.924 4.531 304 H THR 46 HN THR 46 66.071 -0.680 6.774 305 HA THR 46 HA THR 46 64.656 1.927 7.164 306 HB THR 46 HB THR 46 67.445 0.977 7.914 307 HG1 THR 46 HG1 THR 46 65.167 1.405 9.539 308 1HG2 THR 46 HG21 THR 46 66.550 3.563 7.620 309 2HG2 THR 46 HG22 THR 46 67.876 3.065 8.671 310 3HG2 THR 46 HG23 THR 46 66.251 3.253 9.331 311 H ILE 47 HN ILE 47 64.507 2.618 4.972 312 HA ILE 47 HA ILE 47 67.079 2.774 3.447 313 HB ILE 47 HB ILE 47 65.507 2.908 1.493 314 1HG1 ILE 47 HG12 ILE 47 63.158 1.995 2.898 315 2HG1 ILE 47 HG11 ILE 47 63.666 3.552 3.553 316 1HG2 ILE 47 HG21 ILE 47 64.455 0.551 2.010 317 2HG2 ILE 47 HG22 ILE 47 65.445 0.648 3.467 318 3HG2 ILE 47 HG23 ILE 47 66.206 0.716 1.879 319 1HD1 ILE 47 HD1 ILE 47 62.478 2.933 0.956 320 2HD1 ILE 47 HD1 ILE 47 63.968 3.865 0.804 321 3HD1 ILE 47 HD1 ILE 47 62.633 4.488 1.775 322 H THR 48 HN THR 48 67.238 4.763 2.009 323 HA THR 48 HA THR 48 65.905 7.144 3.237 324 HB THR 48 HB THR 48 68.647 6.255 3.377 325 HG1 THR 48 HG1 THR 48 68.366 7.327 5.128 326 1HG2 THR 48 HG21 THR 48 69.605 8.606 2.844 327 2HG2 THR 48 HG22 THR 48 68.163 8.809 1.850 328 3HG2 THR 48 HG23 THR 48 69.303 7.511 1.495 329 H THR 49 HN THR 49 64.731 8.002 1.567 330 HA THR 49 HA THR 49 64.124 8.582 -0.663 331 HB THR 49 HB THR 49 66.934 9.587 -0.876 332 HG1 THR 49 HG1 THR 49 66.221 11.229 0.689 333 1HG2 THR 49 HG21 THR 49 64.499 10.156 -2.091 334 2HG2 THR 49 HG22 THR 49 65.946 11.163 -2.153 335 3HG2 THR 49 HG23 THR 49 64.707 11.474 -0.936 336 H SER 50 HN SER 50 64.299 6.127 -1.268 337 HA SER 50 HA SER 50 66.273 5.921 -3.497 338 1HB SER 50 HB2 SER 50 67.186 4.793 -1.502 339 2HB SER 50 HB1 SER 50 65.714 3.836 -1.366 340 HG SER 50 HG SER 50 66.242 2.750 -3.175 341 H THR 51 HN THR 51 65.444 4.926 -5.320 342 HA THR 51 HA THR 51 62.584 4.072 -5.178 343 HB THR 51 HB THR 51 62.556 4.643 -7.531 344 HG1 THR 51 HG1 THR 51 64.358 4.049 -8.456 345 1HG2 THR 51 HG21 THR 51 62.726 6.491 -5.712 346 2HG2 THR 51 HG22 THR 51 62.968 6.955 -7.396 347 3HG2 THR 51 HG23 THR 51 64.358 6.738 -6.333 348 H SER 52 HN SER 52 64.283 2.146 -4.181 349 HA SER 52 HA SER 52 65.064 0.302 -6.358 350 1HB SER 52 HB2 SER 52 66.146 0.894 -3.972 351 2HB SER 52 HB1 SER 52 65.094 -0.421 -3.456 352 HG SER 52 HG SER 52 66.604 -1.662 -4.218 353 H THR 53 HN THR 53 62.391 0.627 -6.600 354 HA THR 53 HA THR 53 60.904 -1.312 -4.970 355 HB THR 53 HB THR 53 59.108 -0.591 -6.691 356 HG1 THR 53 HG1 THR 53 59.745 1.343 -7.792 357 1HG2 THR 53 HG21 THR 53 58.576 0.956 -5.143 358 2HG2 THR 53 HG22 THR 53 59.986 1.935 -5.551 359 3HG2 THR 53 HG23 THR 53 60.133 0.618 -4.386 360 H GLY 54 HN GLY 54 59.494 -2.936 -6.296 361 1HA GLY 54 HA2 GLY 54 59.304 -4.496 -8.120 362 2HA GLY 54 HA1 GLY 54 60.906 -4.002 -8.674 363 H SER 55 HN SER 55 61.737 -4.219 -5.692 364 HA SER 55 HA SER 55 62.020 -7.205 -5.653 365 1HB SER 55 HB2 SER 55 64.290 -6.938 -5.388 366 2HB SER 55 HB1 SER 55 63.969 -5.422 -6.225 367 HG SER 55 HG SER 55 64.441 -4.395 -4.459 368 H ARG 56 HN ARG 56 62.154 -8.147 -3.522 369 HA ARG 56 HA ARG 56 60.684 -6.599 -1.461 370 1HB ARG 56 HB2 ARG 56 59.967 -8.860 -2.059 371 2HB ARG 56 HB1 ARG 56 61.581 -9.489 -1.736 372 1HG ARG 56 HG2 ARG 56 61.378 -8.958 0.624 373 2HG ARG 56 HG1 ARG 56 59.834 -8.149 0.347 374 1HD ARG 56 HD2 ARG 56 60.414 -11.107 -0.057 375 2HD ARG 56 HD1 ARG 56 59.363 -10.390 1.182 376 HE ARG 56 HE ARG 56 58.298 -9.361 -1.113 377 1HH1 ARG 56 HH1 ARG 56 57.437 -11.907 0.573 378 2HH1 ARG 56 HH1 ARG 56 57.065 -12.982 -0.734 379 1HH2 ARG 56 HH2 ARG 56 58.606 -11.017 -3.140 380 2HH2 ARG 56 HH2 ARG 56 57.727 -12.479 -2.835 381 H ILE 57 HN ILE 57 61.968 -5.388 -0.088 382 HA ILE 57 HA ILE 57 64.728 -6.350 0.486 383 HB ILE 57 HB ILE 57 63.277 -3.723 0.865 384 1HG1 ILE 57 HG12 ILE 57 64.900 -4.957 -1.240 385 2HG1 ILE 57 HG11 ILE 57 63.886 -3.520 -1.315 386 1HG2 ILE 57 HG21 ILE 57 64.991 -4.296 2.671 387 2HG2 ILE 57 HG22 ILE 57 65.311 -2.818 1.766 388 3HG2 ILE 57 HG23 ILE 57 66.206 -4.291 1.394 389 1HD1 ILE 57 HD1 ILE 57 65.669 -2.148 -0.389 390 2HD1 ILE 57 HD1 ILE 57 66.313 -3.054 -1.760 391 3HD1 ILE 57 HD1 ILE 57 66.670 -3.577 -0.112 392 H SER 58 HN SER 58 65.451 -6.683 2.582 393 HA SER 58 HA SER 58 63.563 -6.330 4.856 394 1HB SER 58 HB2 SER 58 64.636 -8.913 3.736 395 2HB SER 58 HB1 SER 58 64.249 -8.790 5.450 396 HG SER 58 HG SER 58 62.574 -8.575 3.199 397 H GLY 59 HN GLY 59 64.708 -6.282 6.915 398 1HA GLY 59 HA2 GLY 59 67.342 -7.000 7.433 399 2HA GLY 59 HA1 GLY 59 67.469 -5.407 6.692 400 HA PRO 60 HA PRO 60 65.657 -5.194 11.133 401 1HB PRO 60 HB2 PRO 60 67.560 -6.192 12.835 402 2HB PRO 60 HB1 PRO 60 66.218 -7.174 12.212 403 1HG PRO 60 HG2 PRO 60 69.060 -7.086 11.343 404 2HG PRO 60 HG1 PRO 60 67.954 -8.463 11.456 405 1HD PRO 60 HD2 PRO 60 68.592 -7.203 9.109 406 2HD PRO 60 HD1 PRO 60 67.081 -8.097 9.379 407 H GLY 61 HN GLY 61 68.492 -4.580 9.457 408 1HA GLY 61 HA2 GLY 61 68.855 -1.971 10.713 409 2HA GLY 61 HA1 GLY 61 70.230 -3.064 10.915 410 H CYS 62 HN CYS 62 68.108 -3.131 8.118 411 HA CYS 62 HA CYS 62 70.319 -2.962 6.252 412 1HB CYS 62 HB2 CYS 62 68.434 -4.246 5.644 413 2HB CYS 62 HB1 CYS 62 67.302 -3.002 6.167 414 H LYS 63 HN LYS 63 71.047 -1.184 5.104 415 HA LYS 63 HA LYS 63 69.578 1.412 5.424 416 1HB LYS 63 HB2 LYS 63 72.566 0.882 5.600 417 2HB LYS 63 HB1 LYS 63 71.801 2.465 5.731 418 1HG LYS 63 HG2 LYS 63 70.510 0.659 7.553 419 2HG LYS 63 HG1 LYS 63 72.253 0.579 7.807 420 1HD LYS 63 HD2 LYS 63 72.093 3.209 7.660 421 2HD LYS 63 HD1 LYS 63 70.405 2.927 8.086 422 1HE LYS 63 HE2 LYS 63 70.968 1.955 10.172 423 2HE LYS 63 HE1 LYS 63 72.647 1.661 9.677 424 1HZ LYS 63 HZ1 LYS 63 72.859 4.116 9.398 425 2HZ LYS 63 HZ2 LYS 63 72.643 3.615 11.007 426 3HZ LYS 63 HZ3 LYS 63 71.345 4.288 10.141 427 H ILE 64 HN ILE 64 68.899 1.823 3.324 428 HA ILE 64 HA ILE 64 70.718 1.113 1.070 429 HB ILE 64 HB ILE 64 68.118 0.593 1.430 430 1HG1 ILE 64 HG12 ILE 64 69.179 1.517 -1.254 431 2HG1 ILE 64 HG11 ILE 64 69.599 -0.028 -0.513 432 1HG2 ILE 64 HG21 ILE 64 68.130 3.297 0.052 433 2HG2 ILE 64 HG22 ILE 64 67.445 2.951 1.639 434 3HG2 ILE 64 HG23 ILE 64 66.731 2.233 0.195 435 1HD1 ILE 64 HD1 ILE 64 66.934 0.904 -1.552 436 2HD1 ILE 64 HD1 ILE 64 67.010 -0.348 -0.311 437 3HD1 ILE 64 HD1 ILE 64 67.781 -0.608 -1.876 438 H SER 65 HN SER 65 70.636 2.835 -0.793 439 HA SER 65 HA SER 65 70.401 5.621 0.203 440 1HB SER 65 HB2 SER 65 72.945 4.190 -0.555 441 2HB SER 65 HB1 SER 65 72.824 5.942 -0.670 442 HG SER 65 HG SER 65 73.306 4.484 1.471 443 H THR 66 HN THR 66 68.835 5.948 -1.455 444 HA THR 66 HA THR 66 68.033 6.323 -3.643 445 HB THR 66 HB THR 66 70.099 7.386 -4.987 446 HG1 THR 66 HG1 THR 66 70.870 7.562 -2.270 447 1HG2 THR 66 HG21 THR 66 69.570 9.501 -3.872 448 2HG2 THR 66 HG22 THR 66 68.848 8.628 -2.521 449 3HG2 THR 66 HG23 THR 66 68.096 8.565 -4.114 450 H CYS 67 HN CYS 67 67.533 4.452 -4.740 451 HA CYS 67 HA CYS 67 69.726 3.208 -6.355 452 1HB CYS 67 HB2 CYS 67 69.322 1.766 -4.462 453 2HB CYS 67 HB1 CYS 67 67.575 1.899 -4.664 454 H ILE 68 HN ILE 68 68.814 2.026 -8.275 455 HA ILE 68 HA ILE 68 66.723 3.608 -9.564 456 HB ILE 68 HB ILE 68 68.431 1.224 -10.316 457 1HG1 ILE 68 HG12 ILE 68 69.019 3.315 -11.999 458 2HG1 ILE 68 HG11 ILE 68 68.638 4.160 -10.497 459 1HG2 ILE 68 HG21 ILE 68 67.631 1.672 -12.655 460 2HG2 ILE 68 HG22 ILE 68 66.416 2.758 -11.982 461 3HG2 ILE 68 HG23 ILE 68 66.377 1.039 -11.590 462 1HD1 ILE 68 HD1 ILE 68 71.060 3.521 -10.696 463 2HD1 ILE 68 HD1 ILE 68 70.566 1.829 -10.689 464 3HD1 ILE 68 HD1 ILE 68 70.268 2.840 -9.275 465 H ILE 69 HN ILE 69 64.907 2.453 -10.727 466 HA ILE 69 HA ILE 69 63.468 0.682 -8.862 467 HB ILE 69 HB ILE 69 62.843 1.954 -11.548 468 1HG1 ILE 69 HG12 ILE 69 62.118 2.584 -8.676 469 2HG1 ILE 69 HG11 ILE 69 62.974 3.614 -9.824 470 1HG2 ILE 69 HG21 ILE 69 61.607 -0.214 -11.092 471 2HG2 ILE 69 HG22 ILE 69 60.573 1.202 -11.281 472 3HG2 ILE 69 HG23 ILE 69 60.913 0.567 -9.671 473 1HD1 ILE 69 HD1 ILE 69 60.881 3.570 -11.261 474 2HD1 ILE 69 HD1 ILE 69 60.711 4.421 -9.726 475 3HD1 ILE 69 HD1 ILE 69 60.061 2.792 -9.906 476 H THR 70 HN THR 70 63.714 -1.528 -9.010 477 HA THR 70 HA THR 70 63.962 -2.750 -11.713 478 HB THR 70 HB THR 70 65.868 -3.649 -9.591 479 HG1 THR 70 HG1 THR 70 67.245 -1.967 -10.035 480 1HG2 THR 70 HG21 THR 70 66.317 -3.137 -12.535 481 2HG2 THR 70 HG22 THR 70 65.608 -4.637 -11.937 482 3HG2 THR 70 HG23 THR 70 67.245 -4.185 -11.461 483 H GLY 71 HN GLY 71 62.962 -4.760 -11.796 484 1HA GLY 71 HA2 GLY 71 61.479 -5.630 -9.420 485 2HA GLY 71 HA1 GLY 71 61.381 -6.354 -11.027 486 H GLY 72 HN GLY 72 63.963 -5.892 -8.580 487 1HA GLY 72 HA2 GLY 72 64.569 -8.161 -7.468 488 2HA GLY 72 HA1 GLY 72 64.801 -8.702 -9.131 489 H VAL 73 HN VAL 73 66.076 -6.643 -6.589 490 HA VAL 73 HA VAL 73 68.372 -5.760 -8.227 491 HB VAL 73 HB VAL 73 67.396 -4.238 -6.609 492 1HG1 VAL 73 HG11 VAL 73 67.303 -6.676 -5.007 493 2HG1 VAL 73 HG12 VAL 73 66.342 -5.205 -4.859 494 3HG1 VAL 73 HG13 VAL 73 67.929 -5.304 -4.095 495 1HG2 VAL 73 HG21 VAL 73 69.423 -4.187 -4.882 496 2HG2 VAL 73 HG22 VAL 73 69.664 -3.757 -6.575 497 3HG2 VAL 73 HG23 VAL 73 70.102 -5.366 -6.003 498 HA PRO 74 HA PRO 74 70.920 -9.195 -7.180 499 1HB PRO 74 HB2 PRO 74 73.388 -8.009 -7.330 500 2HB PRO 74 HB1 PRO 74 72.421 -8.431 -8.760 501 1HG PRO 74 HG2 PRO 74 72.737 -5.797 -7.402 502 2HG PRO 74 HG1 PRO 74 72.693 -6.172 -9.131 503 1HD PRO 74 HD2 PRO 74 70.561 -5.163 -7.812 504 2HD PRO 74 HD1 PRO 74 70.393 -6.278 -9.185 505 H ALA 75 HN ALA 75 72.841 -9.697 -5.607 506 HA ALA 75 HA ALA 75 72.055 -8.870 -2.935 507 1HB ALA 75 HB1 ALA 75 74.383 -10.242 -2.647 508 2HB ALA 75 HB2 ALA 75 73.926 -10.742 -4.275 509 3HB ALA 75 HB3 ALA 75 72.828 -11.026 -2.925 510 HA PRO 76 HA PRO 76 76.376 -6.811 -2.849 511 1HB PRO 76 HB2 PRO 76 77.733 -6.580 -5.220 512 2HB PRO 76 HB1 PRO 76 77.900 -7.975 -4.135 513 1HG PRO 76 HG2 PRO 76 76.290 -7.698 -6.624 514 2HG PRO 76 HG1 PRO 76 77.233 -9.077 -6.036 515 1HD PRO 76 HD2 PRO 76 74.527 -8.926 -5.827 516 2HD PRO 76 HD1 PRO 76 75.542 -9.821 -4.676 517 H SER 77 HN SER 77 74.299 -6.304 -5.646 518 HA SER 77 HA SER 77 73.545 -4.301 -6.671 519 1HB SER 77 HB2 SER 77 73.970 -3.035 -3.985 520 2HB SER 77 HB1 SER 77 72.577 -2.925 -5.058 521 HG SER 77 HG SER 77 71.779 -4.643 -4.149 522 H ALA 78 HN ALA 78 76.356 -4.674 -7.034 523 HA ALA 78 HA ALA 78 78.132 -2.679 -6.273 524 1HB ALA 78 HB1 ALA 78 78.686 -4.513 -7.790 525 2HB ALA 78 HB2 ALA 78 79.071 -2.988 -8.589 526 3HB ALA 78 HB3 ALA 78 77.601 -3.864 -9.019 527 H ALA 79 HN ALA 79 75.287 -2.393 -8.281 528 HA ALA 79 HA ALA 79 75.914 0.257 -9.344 529 1HB ALA 79 HB1 ALA 79 73.435 -1.490 -9.176 530 2HB ALA 79 HB2 ALA 79 74.503 -1.290 -10.568 531 3HB ALA 79 HB3 ALA 79 73.481 0.047 -10.043 532 H CYS 80 HN CYS 80 73.021 -0.659 -7.485 533 HA CYS 80 HA CYS 80 72.659 1.930 -6.319 534 1HB CYS 80 HB2 CYS 80 71.689 -0.859 -5.629 535 2HB CYS 80 HB1 CYS 80 71.076 0.595 -4.842 536 H LYS 81 HN LYS 81 72.516 2.066 -3.772 537 HA LYS 81 HA LYS 81 75.099 1.025 -2.656 538 1HB LYS 81 HB2 LYS 81 73.672 3.626 -2.648 539 2HB LYS 81 HB1 LYS 81 74.431 3.173 -1.120 540 1HG LYS 81 HG2 LYS 81 76.157 4.302 -2.246 541 2HG LYS 81 HG1 LYS 81 76.506 2.606 -2.587 542 1HD LYS 81 HD2 LYS 81 74.841 3.137 -4.646 543 2HD LYS 81 HD1 LYS 81 75.535 4.741 -4.411 544 1HE LYS 81 HE2 LYS 81 77.527 2.566 -4.317 545 2HE LYS 81 HE1 LYS 81 76.731 2.760 -5.893 546 1HZ LYS 81 HZ1 LYS 81 77.066 5.276 -5.362 547 2HZ LYS 81 HZ2 LYS 81 78.340 4.371 -6.028 548 3HZ LYS 81 HZ3 LYS 81 78.313 4.708 -4.363 549 H ILE 82 HN ILE 82 74.522 -0.731 -1.394 550 HA ILE 82 HA ILE 82 72.298 -0.313 0.575 551 HB ILE 82 HB ILE 82 71.667 -1.801 -1.285 552 1HG1 ILE 82 HG12 ILE 82 71.094 -2.220 1.221 553 2HG1 ILE 82 HG11 ILE 82 70.753 -3.494 0.056 554 1HG2 ILE 82 HG21 ILE 82 72.964 -4.070 -1.287 555 2HG2 ILE 82 HG22 ILE 82 74.253 -3.135 -0.527 556 3HG2 ILE 82 HG23 ILE 82 73.662 -2.685 -2.127 557 1HD1 ILE 82 HD1 ILE 82 72.181 -4.906 1.083 558 2HD1 ILE 82 HD1 ILE 82 72.308 -3.722 2.382 559 3HD1 ILE 82 HD1 ILE 82 73.473 -3.709 1.062 560 H SER 83 HN SER 83 72.607 -1.463 2.612 561 HA SER 83 HA SER 83 75.292 -2.648 3.078 562 1HB SER 83 HB2 SER 83 75.455 -0.202 3.444 563 2HB SER 83 HB1 SER 83 74.128 -0.292 4.599 564 HG SER 83 HG SER 83 76.768 -0.897 4.904 565 H GLY 84 HN GLY 84 74.039 -4.622 3.443 566 1HA GLY 84 HA2 GLY 84 73.360 -6.137 5.172 567 2HA GLY 84 HA1 GLY 84 72.965 -4.756 6.195 568 H CYS 85 HN CYS 85 71.898 -6.009 3.008 569 HA CYS 85 HA CYS 85 69.085 -5.866 4.002 570 1HB CYS 85 HB2 CYS 85 70.100 -4.700 1.390 571 2HB CYS 85 HB1 CYS 85 68.456 -4.594 2.019 572 H THR 86 HN THR 86 67.616 -7.178 2.749 573 HA THR 86 HA THR 86 68.972 -9.306 1.123 574 HB THR 86 HB THR 86 66.373 -10.087 1.958 575 HG1 THR 86 HG1 THR 86 66.403 -9.648 4.125 576 1HG2 THR 86 HG21 THR 86 68.942 -11.101 1.922 577 2HG2 THR 86 HG22 THR 86 67.530 -11.923 2.588 578 3HG2 THR 86 HG23 THR 86 68.589 -10.992 3.647 579 H PHE 87 HN PHE 87 67.704 -10.064 -0.783 580 HA PHE 87 HA PHE 87 65.495 -8.245 -1.622 581 1HB PHE 87 HB2 PHE 87 67.698 -8.868 -3.564 582 2HB PHE 87 HB1 PHE 87 66.612 -7.482 -3.517 583 HD1 PHE 87 HD1 PHE 87 69.822 -8.798 -2.513 584 HD2 PHE 87 HD2 PHE 87 66.917 -5.747 -1.667 585 HE1 PHE 87 HE1 PHE 87 71.542 -7.500 -1.287 586 HE2 PHE 87 HE2 PHE 87 68.638 -4.450 -0.443 587 HZ PHE 87 HZ PHE 87 70.949 -5.326 -0.253 588 H SER 88 HN SER 88 64.310 -9.112 -3.517 589 HA SER 88 HA SER 88 64.795 -11.656 -4.704 590 1HB SER 88 HB2 SER 88 64.243 -11.882 -2.028 591 2HB SER 88 HB1 SER 88 62.636 -12.060 -2.726 592 HG SER 88 HG SER 88 64.104 -13.502 -4.253 593 H ALA 89 HN ALA 89 63.854 -9.422 -5.888 594 HA ALA 89 HA ALA 89 62.011 -8.436 -7.021 595 1HB ALA 89 HB1 ALA 89 61.725 -10.063 -8.559 596 2HB ALA 89 HB2 ALA 89 60.549 -10.830 -7.492 597 3HB ALA 89 HB3 ALA 89 62.251 -11.281 -7.396 598 H ASN 90 HN ASN 90 59.321 -9.105 -7.145 599 HA ASN 90 HA ASN 90 58.200 -9.714 -4.537 600 1HB ASN 90 HB2 ASN 90 57.784 -7.554 -3.735 601 2HB ASN 90 HB1 ASN 90 59.351 -7.333 -4.513 602 1HD2 ASN 90 HD2 ASN 90 56.185 -6.106 -4.396 603 2HD2 ASN 90 HD2 ASN 90 56.211 -5.218 -5.841 Start of MODEL 5 1 1H ASP 1 HT1 ASP 1 43.817 10.466 1.700 2 2H ASP 1 HT2 ASP 1 44.307 11.661 2.803 3 3H ASP 1 HT3 ASP 1 43.426 10.314 3.343 4 HA ASP 1 HA ASP 1 45.826 9.539 1.974 5 1HB ASP 1 HB2 ASP 1 46.487 11.766 2.857 6 2HB ASP 1 HB1 ASP 1 45.978 11.263 4.470 7 H GLY 2 HN GLY 2 46.888 7.861 3.354 8 1HA GLY 2 HA2 GLY 2 44.876 6.553 5.116 9 2HA GLY 2 HA1 GLY 2 46.247 5.741 4.358 10 H SER 3 HN SER 3 48.053 5.465 5.583 11 HA SER 3 HA SER 3 48.095 6.686 8.290 12 1HB SER 3 HB2 SER 3 50.024 4.979 8.471 13 2HB SER 3 HB1 SER 3 48.400 4.332 8.245 14 HG SER 3 HG SER 3 50.553 4.052 6.693 15 H CYS 4 HN CYS 4 48.742 8.850 7.588 16 HA CYS 4 HA CYS 4 50.443 10.489 7.423 17 1HB CYS 4 HB2 CYS 4 51.648 8.365 8.554 18 2HB CYS 4 HB1 CYS 4 52.533 8.401 7.030 19 H THR 5 HN THR 5 51.822 7.862 5.398 20 HA THR 5 HA THR 5 51.234 9.540 2.990 21 HB THR 5 HB THR 5 53.548 9.894 3.935 22 HG1 THR 5 HG1 THR 5 52.972 8.917 1.395 23 1HG2 THR 5 HG21 THR 5 53.757 7.482 4.703 24 2HG2 THR 5 HG22 THR 5 55.161 8.122 3.850 25 3HG2 THR 5 HG23 THR 5 54.039 7.053 3.014 26 H ASN 6 HN ASN 6 49.735 7.262 3.670 27 HA ASN 6 HA ASN 6 50.607 5.379 1.515 28 1HB ASN 6 HB2 ASN 6 49.911 4.839 4.400 29 2HB ASN 6 HB1 ASN 6 49.722 3.581 3.178 30 1HD2 ASN 6 HD2 ASN 6 51.519 2.226 3.383 31 2HD2 ASN 6 HD2 ASN 6 53.127 2.761 3.496 32 H THR 7 HN THR 7 48.916 6.278 0.173 33 HA THR 7 HA THR 7 46.116 6.021 1.171 34 HB THR 7 HB THR 7 45.594 7.482 -0.649 35 HG1 THR 7 HG1 THR 7 46.619 7.326 -2.461 36 1HG2 THR 7 HG21 THR 7 47.146 8.350 1.259 37 2HG2 THR 7 HG22 THR 7 46.919 9.355 -0.172 38 3HG2 THR 7 HG23 THR 7 48.385 8.391 0.004 39 H ASN 8 HN ASN 8 47.572 3.622 0.723 40 HA ASN 8 HA ASN 8 45.824 2.025 -0.794 41 1HB ASN 8 HB2 ASN 8 47.435 3.737 -2.399 42 2HB ASN 8 HB1 ASN 8 48.067 2.106 -2.608 43 1HD2 ASN 8 HD2 ASN 8 46.852 0.662 -3.888 44 2HD2 ASN 8 HD2 ASN 8 45.318 1.019 -4.522 45 H SER 9 HN SER 9 49.057 2.644 0.381 46 HA SER 9 HA SER 9 49.674 -0.282 0.433 47 1HB SER 9 HB2 SER 9 51.280 2.269 0.553 48 2HB SER 9 HB1 SER 9 51.990 0.693 0.905 49 HG SER 9 HG SER 9 51.061 1.763 -1.483 50 H GLN 10 HN GLN 10 51.539 -0.261 2.478 51 HA GLN 10 HA GLN 10 50.069 0.729 4.891 52 1HB GLN 10 HB2 GLN 10 50.881 -2.029 4.053 53 2HB GLN 10 HB1 GLN 10 50.959 -1.632 5.772 54 1HG GLN 10 HG2 GLN 10 48.540 -0.649 5.322 55 2HG GLN 10 HG1 GLN 10 48.572 -1.779 3.967 56 1HE2 GLN 10 HE21 GLN 10 46.924 -3.130 5.054 57 2HE2 GLN 10 HE22 GLN 10 47.353 -4.118 6.367 58 H LEU 11 HN LEU 11 51.505 1.990 6.032 59 HA LEU 11 HA LEU 11 54.407 1.701 5.563 60 1HB LEU 11 HB2 LEU 11 52.868 3.839 5.838 61 2HB LEU 11 HB1 LEU 11 53.157 3.561 7.557 62 HG LEU 11 HG LEU 11 55.637 3.434 6.987 63 1HD1 LEU 11 HD1 LEU 11 54.463 4.244 4.349 64 2HD1 LEU 11 HD1 LEU 11 55.786 3.128 4.685 65 3HD1 LEU 11 HD1 LEU 11 56.046 4.868 4.811 66 1HD2 LEU 11 HD2 LEU 11 55.253 6.136 6.250 67 2HD2 LEU 11 HD2 LEU 11 55.519 5.500 7.872 68 3HD2 LEU 11 HD2 LEU 11 53.876 5.704 7.264 69 H SER 12 HN SER 12 52.658 -0.291 7.152 70 HA SER 12 HA SER 12 53.036 -1.707 8.997 71 1HB SER 12 HB2 SER 12 55.389 -1.373 8.095 72 2HB SER 12 HB1 SER 12 55.584 -0.092 9.289 73 HG SER 12 HG SER 12 55.042 -1.667 10.895 74 H ALA 13 HN ALA 13 52.350 1.494 9.236 75 HA ALA 13 HA ALA 13 51.749 2.913 11.033 76 1HB ALA 13 HB1 ALA 13 50.521 1.687 12.762 77 2HB ALA 13 HB2 ALA 13 51.330 0.188 12.305 78 3HB ALA 13 HB3 ALA 13 50.197 0.954 11.191 79 H ASN 14 HN ASN 14 54.606 1.682 10.908 80 HA ASN 14 HA ASN 14 55.446 2.705 13.554 81 1HB ASN 14 HB2 ASN 14 54.852 0.084 13.358 82 2HB ASN 14 HB1 ASN 14 56.519 0.032 12.782 83 1HD2 ASN 14 HD2 ASN 14 56.557 -1.249 15.026 84 2HD2 ASN 14 HD2 ASN 14 56.962 -0.309 16.382 85 H SER 15 HN SER 15 55.841 2.923 10.393 86 HA SER 15 HA SER 15 58.837 2.951 10.456 87 1HB SER 15 HB2 SER 15 57.150 3.078 7.972 88 2HB SER 15 HB1 SER 15 58.744 2.362 8.183 89 HG SER 15 HG SER 15 56.957 0.845 8.026 90 H LYS 16 HN LYS 16 59.034 4.636 8.119 91 HA LYS 16 HA LYS 16 58.199 7.244 9.328 92 1HB LYS 16 HB2 LYS 16 60.652 6.263 8.555 93 2HB LYS 16 HB1 LYS 16 60.171 7.195 7.136 94 1HG LYS 16 HG2 LYS 16 59.463 8.877 9.202 95 2HG LYS 16 HG1 LYS 16 60.941 8.132 9.814 96 1HD LYS 16 HD2 LYS 16 62.250 9.165 8.269 97 2HD LYS 16 HD1 LYS 16 61.069 8.937 6.978 98 1HE LYS 16 HE2 LYS 16 60.632 11.161 7.179 99 2HE LYS 16 HE1 LYS 16 59.841 10.762 8.717 100 1HZ LYS 16 HZ1 LYS 16 62.273 10.701 9.581 101 2HZ LYS 16 HZ2 LYS 16 61.484 12.195 9.412 102 3HZ LYS 16 HZ3 LYS 16 62.596 11.680 8.234 103 H CYS 17 HN CYS 17 57.167 8.798 7.979 104 HA CYS 17 HA CYS 17 56.225 7.753 5.328 105 1HB CYS 17 HB2 CYS 17 54.158 9.137 5.896 106 2HB CYS 17 HB1 CYS 17 54.420 7.721 6.912 107 H GLU 18 HN GLU 18 58.363 9.045 4.773 108 HA GLU 18 HA GLU 18 57.925 11.984 4.728 109 1HB GLU 18 HB2 GLU 18 60.114 10.265 5.012 110 2HB GLU 18 HB1 GLU 18 60.299 10.944 3.394 111 1HG GLU 18 HG2 GLU 18 59.840 12.562 5.918 112 2HG GLU 18 HG1 GLU 18 61.397 12.359 5.114 113 H LYS 19 HN LYS 19 56.003 11.338 3.161 114 HA LYS 19 HA LYS 19 56.704 12.169 0.506 115 1HB LYS 19 HB2 LYS 19 56.341 9.971 -0.623 116 2HB LYS 19 HB1 LYS 19 57.743 9.947 0.448 117 1HG LYS 19 HG2 LYS 19 55.795 9.202 2.188 118 2HG LYS 19 HG1 LYS 19 55.157 8.522 0.691 119 1HD LYS 19 HD2 LYS 19 57.922 7.950 0.683 120 2HD LYS 19 HD1 LYS 19 57.354 7.579 2.311 121 1HE LYS 19 HE2 LYS 19 55.369 6.603 0.520 122 2HE LYS 19 HE1 LYS 19 56.943 6.055 -0.090 123 1HZ LYS 19 HZ1 LYS 19 56.414 5.973 2.799 124 2HZ LYS 19 HZ2 LYS 19 57.450 5.000 1.866 125 3HZ LYS 19 HZ3 LYS 19 55.770 4.749 1.818 126 H SER 20 HN SER 20 54.687 11.167 -1.017 127 HA SER 20 HA SER 20 52.157 10.889 0.384 128 1HB SER 20 HB2 SER 20 51.913 13.099 0.836 129 2HB SER 20 HB1 SER 20 53.297 13.522 -0.168 130 HG SER 20 HG SER 20 51.432 14.395 -1.063 131 H THR 21 HN THR 21 51.760 9.226 -1.154 132 HA THR 21 HA THR 21 50.695 10.084 -3.729 133 HB THR 21 HB THR 21 53.280 10.061 -3.886 134 HG1 THR 21 HG1 THR 21 51.645 9.843 -5.634 135 1HG2 THR 21 HG21 THR 21 53.051 7.625 -2.699 136 2HG2 THR 21 HG22 THR 21 54.428 8.094 -3.696 137 3HG2 THR 21 HG23 THR 21 53.117 7.143 -4.397 138 H LEU 22 HN LEU 22 50.451 7.852 -5.116 139 HA LEU 22 HA LEU 22 49.033 5.983 -3.298 140 1HB LEU 22 HB2 LEU 22 48.029 6.958 -5.393 141 2HB LEU 22 HB1 LEU 22 49.245 6.085 -6.328 142 HG LEU 22 HG LEU 22 48.193 4.133 -4.653 143 1HD1 LEU 22 HD1 LEU 22 46.334 5.462 -3.937 144 2HD1 LEU 22 HD1 LEU 22 45.705 4.366 -5.168 145 3HD1 LEU 22 HD1 LEU 22 46.038 6.048 -5.575 146 1HD2 LEU 22 HD2 LEU 22 48.184 3.170 -6.692 147 2HD2 LEU 22 HD2 LEU 22 48.384 4.752 -7.442 148 3HD2 LEU 22 HD2 LEU 22 46.766 4.122 -7.131 149 H THR 23 HN THR 23 51.982 6.087 -3.348 150 HA THR 23 HA THR 23 53.267 4.122 -4.890 151 HB THR 23 HB THR 23 53.590 5.226 -2.104 152 HG1 THR 23 HG1 THR 23 55.114 6.390 -3.070 153 1HG2 THR 23 HG21 THR 23 55.928 4.079 -2.278 154 2HG2 THR 23 HG22 THR 23 55.116 2.976 -3.389 155 3HG2 THR 23 HG23 THR 23 54.552 3.123 -1.726 156 H ASN 24 HN ASN 24 52.637 2.019 -5.127 157 HA ASN 24 HA ASN 24 51.085 0.616 -3.054 158 1HB ASN 24 HB2 ASN 24 52.112 0.046 -5.833 159 2HB ASN 24 HB1 ASN 24 51.361 -1.227 -4.869 160 1HD2 ASN 24 HD2 ASN 24 49.453 -1.327 -6.255 161 2HD2 ASN 24 HD2 ASN 24 48.303 -0.078 -6.268 162 H CYS 25 HN CYS 25 52.402 0.057 -1.272 163 HA CYS 25 HA CYS 25 54.506 -1.964 -1.767 164 1HB CYS 25 HB2 CYS 25 54.988 0.886 -1.195 165 2HB CYS 25 HB1 CYS 25 55.876 -0.220 -0.146 166 H TYR 26 HN TYR 26 54.161 -3.481 -0.192 167 HA TYR 26 HA TYR 26 52.735 -2.745 2.295 168 1HB TYR 26 HB2 TYR 26 53.192 -5.070 0.634 169 2HB TYR 26 HB1 TYR 26 53.625 -5.440 2.303 170 HD1 TYR 26 HD1 TYR 26 51.931 -4.708 4.145 171 HD2 TYR 26 HD2 TYR 26 50.938 -5.087 -0.017 172 HE1 TYR 26 HE1 TYR 26 49.527 -4.873 4.734 173 HE2 TYR 26 HE2 TYR 26 48.534 -5.252 0.572 174 HH TYR 26 HH TYR 26 47.459 -5.738 3.784 175 H VAL 27 HN VAL 27 54.189 -1.639 3.655 176 HA VAL 27 HA VAL 27 56.934 -2.752 3.972 177 HB VAL 27 HB VAL 27 55.675 -0.219 5.076 178 1HG1 VAL 27 HG11 VAL 27 57.659 -0.134 6.145 179 2HG1 VAL 27 HG12 VAL 27 58.366 0.213 4.560 180 3HG1 VAL 27 HG13 VAL 27 58.331 -1.440 5.168 181 1HG2 VAL 27 HG21 VAL 27 55.975 -0.837 2.391 182 2HG2 VAL 27 HG22 VAL 27 57.457 0.044 2.762 183 3HG2 VAL 27 HG23 VAL 27 55.887 0.792 3.061 184 H ASP 28 HN ASP 28 57.813 -2.867 6.195 185 HA ASP 28 HA ASP 28 55.863 -3.163 8.407 186 1HB ASP 28 HB2 ASP 28 56.134 -5.324 7.048 187 2HB ASP 28 HB1 ASP 28 57.792 -5.369 7.645 188 H LYS 29 HN LYS 29 56.835 -2.080 10.114 189 HA LYS 29 HA LYS 29 58.566 -1.034 11.370 190 1HB LYS 29 HB2 LYS 29 58.516 -3.615 11.769 191 2HB LYS 29 HB1 LYS 29 60.010 -3.628 10.832 192 1HG LYS 29 HG2 LYS 29 60.900 -1.860 12.419 193 2HG LYS 29 HG1 LYS 29 59.478 -2.153 13.422 194 1HD LYS 29 HD2 LYS 29 60.093 -4.534 13.611 195 2HD LYS 29 HD1 LYS 29 61.514 -4.247 12.605 196 1HE LYS 29 HE2 LYS 29 62.693 -3.477 14.381 197 2HE LYS 29 HE1 LYS 29 61.387 -2.360 14.830 198 1HZ LYS 29 HZ1 LYS 29 61.656 -4.045 16.533 199 2HZ LYS 29 HZ2 LYS 29 61.459 -5.280 15.384 200 3HZ LYS 29 HZ3 LYS 29 60.164 -4.246 15.753 201 H SER 30 HN SER 30 58.929 0.285 9.187 202 HA SER 30 HA SER 30 61.774 -0.169 8.343 203 1HB SER 30 HB2 SER 30 59.620 0.855 6.505 204 2HB SER 30 HB1 SER 30 61.146 0.076 6.088 205 HG SER 30 HG SER 30 60.321 -1.863 6.893 206 H GLU 31 HN GLU 31 62.222 1.920 6.789 207 HA GLU 31 HA GLU 31 61.268 4.417 8.099 208 1HB GLU 31 HB2 GLU 31 63.640 3.142 8.792 209 2HB GLU 31 HB1 GLU 31 64.166 4.336 7.606 210 1HG GLU 31 HG2 GLU 31 63.982 5.954 9.157 211 2HG GLU 31 HG1 GLU 31 62.263 5.595 9.321 212 H VAL 32 HN VAL 32 60.338 5.231 6.180 213 HA VAL 32 HA VAL 32 61.991 5.103 3.694 214 HB VAL 32 HB VAL 32 59.053 5.620 4.234 215 1HG1 VAL 32 HG11 VAL 32 59.113 6.596 2.187 216 2HG1 VAL 32 HG12 VAL 32 59.324 4.957 1.569 217 3HG1 VAL 32 HG13 VAL 32 60.731 5.984 1.849 218 1HG2 VAL 32 HG21 VAL 32 59.910 3.283 4.628 219 2HG2 VAL 32 HG22 VAL 32 60.448 3.248 2.946 220 3HG2 VAL 32 HG23 VAL 32 58.729 3.386 3.321 221 H TYR 33 HN TYR 33 62.326 7.011 2.454 222 HA TYR 33 HA TYR 33 61.573 9.614 3.717 223 1HB TYR 33 HB2 TYR 33 63.973 8.531 4.185 224 2HB TYR 33 HB1 TYR 33 64.326 9.228 2.604 225 HD1 TYR 33 HD1 TYR 33 64.067 9.881 6.099 226 HD2 TYR 33 HD2 TYR 33 63.634 11.721 2.242 227 HE1 TYR 33 HE1 TYR 33 64.308 12.117 7.141 228 HE2 TYR 33 HE2 TYR 33 63.876 13.959 3.284 229 HH TYR 33 HH TYR 33 63.490 14.961 5.594 230 H GLY 34 HN GLY 34 60.047 9.435 1.782 231 1HA GLY 34 HA2 GLY 34 59.466 10.200 -0.360 232 2HA GLY 34 HA1 GLY 34 61.042 10.995 -0.416 233 H THR 35 HN THR 35 59.806 7.631 -0.431 234 HA THR 35 HA THR 35 61.856 7.013 -2.529 235 HB THR 35 HB THR 35 60.485 5.440 -0.343 236 HG1 THR 35 HG1 THR 35 63.197 5.333 -0.957 237 1HG2 THR 35 HG21 THR 35 60.393 3.724 -1.841 238 2HG2 THR 35 HG22 THR 35 62.125 3.614 -1.521 239 3HG2 THR 35 HG23 THR 35 61.544 4.490 -2.938 240 H THR 36 HN THR 36 61.160 5.852 -4.395 241 HA THR 36 HA THR 36 58.498 6.400 -5.334 242 HB THR 36 HB THR 36 59.278 5.270 -7.302 243 HG1 THR 36 HG1 THR 36 61.096 3.883 -7.170 244 1HG2 THR 36 HG21 THR 36 61.886 6.172 -6.121 245 2HG2 THR 36 HG22 THR 36 60.586 7.343 -6.350 246 3HG2 THR 36 HG23 THR 36 61.233 6.462 -7.734 247 H CYS 37 HN CYS 37 59.981 3.156 -4.970 248 HA CYS 37 HA CYS 37 58.962 1.087 -4.415 249 1HB CYS 37 HB2 CYS 37 58.747 2.864 -2.381 250 2HB CYS 37 HB1 CYS 37 57.039 2.535 -2.668 251 H THR 38 HN THR 38 57.898 2.333 -6.763 252 HA THR 38 HA THR 38 54.960 2.254 -6.604 253 HB THR 38 HB THR 38 55.313 2.634 -9.126 254 HG1 THR 38 HG1 THR 38 57.284 2.595 -9.841 255 1HG2 THR 38 HG21 THR 38 56.009 4.954 -8.778 256 2HG2 THR 38 HG22 THR 38 56.665 4.539 -7.194 257 3HG2 THR 38 HG23 THR 38 54.927 4.453 -7.479 258 H GLY 39 HN GLY 39 56.325 -0.262 -5.927 259 1HA GLY 39 HA2 GLY 39 54.793 -2.229 -6.962 260 2HA GLY 39 HA1 GLY 39 55.935 -1.990 -8.286 261 H SER 40 HN SER 40 56.242 -2.114 -4.718 262 HA SER 40 HA SER 40 58.068 -4.447 -4.970 263 1HB SER 40 HB2 SER 40 59.923 -3.179 -4.735 264 2HB SER 40 HB1 SER 40 58.920 -1.737 -4.822 265 HG SER 40 HG SER 40 58.691 -1.794 -2.605 266 H ARG 41 HN ARG 41 58.923 -4.796 -2.495 267 HA ARG 41 HA ARG 41 56.595 -4.356 -0.663 268 1HB ARG 41 HB2 ARG 41 56.287 -6.581 -1.254 269 2HB ARG 41 HB1 ARG 41 58.003 -6.843 -1.560 270 1HG ARG 41 HG2 ARG 41 57.196 -8.028 0.483 271 2HG ARG 41 HG1 ARG 41 58.468 -6.859 0.834 272 1HD ARG 41 HD2 ARG 41 57.080 -5.581 2.126 273 2HD ARG 41 HD1 ARG 41 55.758 -5.700 0.943 274 HE ARG 41 HE ARG 41 55.962 -7.331 3.264 275 1HH1 ARG 41 HH2 ARG 41 54.827 -7.192 0.056 276 2HH1 ARG 41 HH2 ARG 41 54.187 -8.801 0.050 277 1HH2 ARG 41 HH1 ARG 41 55.434 -9.593 3.185 278 2HH2 ARG 41 HH1 ARG 41 54.530 -10.159 1.820 279 H PHE 42 HN PHE 42 57.220 -3.638 1.352 280 HA PHE 42 HA PHE 42 60.169 -3.619 1.922 281 1HB PHE 42 HB2 PHE 42 57.871 -1.773 2.357 282 2HB PHE 42 HB1 PHE 42 59.166 -1.742 3.549 283 HD1 PHE 42 HD1 PHE 42 60.422 0.194 3.138 284 HD2 PHE 42 HD2 PHE 42 59.271 -2.315 -0.155 285 HE1 PHE 42 HE1 PHE 42 61.775 1.581 1.597 286 HE2 PHE 42 HE2 PHE 42 60.638 -0.933 -1.693 287 HZ PHE 42 HZ PHE 42 61.892 1.019 -0.814 288 H ASP 43 HN ASP 43 60.851 -4.165 4.048 289 HA ASP 43 HA ASP 43 58.973 -4.948 6.146 290 1HB ASP 43 HB2 ASP 43 59.089 -6.776 4.253 291 2HB ASP 43 HB1 ASP 43 60.646 -7.169 4.984 292 H GLY 44 HN GLY 44 60.123 -4.281 7.943 293 1HA GLY 44 HA2 GLY 44 61.995 -3.701 9.264 294 2HA GLY 44 HA1 GLY 44 62.594 -5.296 8.786 295 H VAL 45 HN VAL 45 62.249 -1.997 7.441 296 HA VAL 45 HA VAL 45 65.007 -2.259 6.336 297 HB VAL 45 HB VAL 45 62.382 -2.085 4.918 298 1HG1 VAL 45 HG11 VAL 45 64.665 -0.326 4.315 299 2HG1 VAL 45 HG12 VAL 45 62.992 -0.236 3.754 300 3HG1 VAL 45 HG13 VAL 45 64.140 -1.305 2.945 301 1HG2 VAL 45 HG21 VAL 45 65.025 -3.213 3.994 302 2HG2 VAL 45 HG22 VAL 45 63.404 -3.661 3.463 303 3HG2 VAL 45 HG23 VAL 45 63.958 -4.101 5.080 304 H THR 46 HN THR 46 66.114 -0.341 6.460 305 HA THR 46 HA THR 46 64.556 2.137 7.116 306 HB THR 46 HB THR 46 67.370 1.263 7.857 307 HG1 THR 46 HG1 THR 46 66.299 1.510 9.998 308 1HG2 THR 46 HG21 THR 46 66.329 3.854 7.553 309 2HG2 THR 46 HG22 THR 46 67.814 3.403 8.392 310 3HG2 THR 46 HG23 THR 46 66.303 3.543 9.289 311 H ILE 47 HN ILE 47 64.347 2.718 4.880 312 HA ILE 47 HA ILE 47 66.909 3.241 3.418 313 HB ILE 47 HB ILE 47 65.404 3.065 1.430 314 1HG1 ILE 47 HG12 ILE 47 63.130 1.930 2.770 315 2HG1 ILE 47 HG11 ILE 47 63.447 3.527 3.449 316 1HG2 ILE 47 HG21 ILE 47 66.200 0.948 1.745 317 2HG2 ILE 47 HG22 ILE 47 64.539 0.612 2.237 318 3HG2 ILE 47 HG23 ILE 47 65.773 0.935 3.456 319 HD1 ILE 47 HD1 ILE 47 63.349 4.563 1.282 320 HD1 ILE 47 HD1 ILE 47 61.931 3.523 1.413 321 HD1 ILE 47 HD1 ILE 47 63.326 2.997 0.469 322 H THR 48 HN THR 48 66.653 5.191 1.856 323 HA THR 48 HA THR 48 65.042 7.365 3.155 324 HB THR 48 HB THR 48 67.583 7.245 3.608 325 HG1 THR 48 HG1 THR 48 67.718 9.591 3.031 326 1HG2 THR 48 HG21 THR 48 68.082 8.655 1.078 327 2HG2 THR 48 HG22 THR 48 67.710 6.944 0.878 328 3HG2 THR 48 HG23 THR 48 69.059 7.439 1.900 329 H THR 49 HN THR 49 65.950 9.336 1.236 330 HA THR 49 HA THR 49 64.045 9.035 -0.849 331 HB THR 49 HB THR 49 66.571 10.632 -1.171 332 HG1 THR 49 HG1 THR 49 65.631 12.136 0.316 333 1HG2 THR 49 HG21 THR 49 63.619 11.140 -1.619 334 2HG2 THR 49 HG22 THR 49 64.854 10.905 -2.855 335 3HG2 THR 49 HG23 THR 49 64.875 12.356 -1.852 336 H SER 50 HN SER 50 64.390 6.894 -1.773 337 HA SER 50 HA SER 50 66.658 6.829 -3.723 338 1HB SER 50 HB2 SER 50 67.070 5.555 -1.548 339 2HB SER 50 HB1 SER 50 65.759 4.483 -2.030 340 HG SER 50 HG SER 50 67.027 3.604 -3.466 341 H THR 51 HN THR 51 66.201 4.613 -5.098 342 HA THR 51 HA THR 51 63.280 4.540 -5.751 343 HB THR 51 HB THR 51 64.393 6.038 -7.303 344 HG1 THR 51 HG1 THR 51 63.951 4.931 -9.196 345 1HG2 THR 51 HG21 THR 51 66.682 5.164 -6.838 346 2HG2 THR 51 HG22 THR 51 66.358 5.365 -8.561 347 3HG2 THR 51 HG23 THR 51 66.309 3.758 -7.834 348 H SER 52 HN SER 52 64.029 2.517 -4.239 349 HA SER 52 HA SER 52 64.900 0.297 -6.057 350 1HB SER 52 HB2 SER 52 66.326 0.770 -4.099 351 2HB SER 52 HB1 SER 52 64.934 0.596 -3.035 352 HG SER 52 HG SER 52 66.459 -1.315 -4.327 353 H THR 53 HN THR 53 62.901 -0.408 -6.886 354 HA THR 53 HA THR 53 60.924 -1.374 -4.848 355 HB THR 53 HB THR 53 59.165 -0.432 -6.117 356 HG1 THR 53 HG1 THR 53 59.900 0.481 -8.296 357 1HG2 THR 53 HG21 THR 53 59.716 1.883 -6.400 358 2HG2 THR 53 HG22 THR 53 61.418 1.508 -6.671 359 3HG2 THR 53 HG23 THR 53 60.710 1.286 -5.071 360 H GLY 54 HN GLY 54 59.186 -2.634 -6.632 361 1HA GLY 54 HA2 GLY 54 59.069 -4.328 -8.332 362 2HA GLY 54 HA1 GLY 54 60.829 -4.403 -8.341 363 H SER 55 HN SER 55 61.775 -5.232 -6.159 364 HA SER 55 HA SER 55 60.273 -7.706 -5.459 365 1HB SER 55 HB2 SER 55 62.350 -8.502 -5.845 366 2HB SER 55 HB1 SER 55 62.997 -6.872 -5.934 367 HG SER 55 HG SER 55 63.302 -6.887 -3.744 368 H ARG 56 HN ARG 56 61.297 -8.400 -3.092 369 HA ARG 56 HA ARG 56 60.298 -6.294 -1.217 370 1HB ARG 56 HB2 ARG 56 59.792 -8.200 0.241 371 2HB ARG 56 HB1 ARG 56 59.117 -8.491 -1.363 372 1HG ARG 56 HG2 ARG 56 60.194 -10.495 -1.164 373 2HG ARG 56 HG1 ARG 56 61.596 -9.559 -1.681 374 1HD ARG 56 HD2 ARG 56 62.414 -9.337 0.535 375 2HD ARG 56 HD1 ARG 56 60.854 -9.802 1.242 376 HE ARG 56 HE ARG 56 61.898 -11.871 -0.503 377 1HH1 ARG 56 HH2 ARG 56 63.571 -10.590 2.012 378 2HH1 ARG 56 HH2 ARG 56 63.470 -11.965 3.059 379 1HH2 ARG 56 HH1 ARG 56 61.119 -13.608 1.109 380 2HH2 ARG 56 HH1 ARG 56 62.080 -13.674 2.549 381 H ILE 57 HN ILE 57 61.662 -5.580 0.452 382 HA ILE 57 HA ILE 57 64.454 -6.666 0.416 383 HB ILE 57 HB ILE 57 63.221 -4.023 1.225 384 1HG1 ILE 57 HG12 ILE 57 64.866 -5.070 -1.051 385 2HG1 ILE 57 HG11 ILE 57 63.552 -3.894 -1.070 386 1HG2 ILE 57 HG21 ILE 57 66.134 -4.846 1.438 387 2HG2 ILE 57 HG22 ILE 57 65.032 -4.768 2.809 388 3HG2 ILE 57 HG23 ILE 57 65.433 -3.302 1.919 389 1HD1 ILE 57 HD1 ILE 57 66.361 -3.406 -0.031 390 2HD1 ILE 57 HD1 ILE 57 65.047 -2.226 0.007 391 3HD1 ILE 57 HD1 ILE 57 65.694 -2.779 -1.541 392 H SER 58 HN SER 58 65.546 -6.820 2.526 393 HA SER 58 HA SER 58 63.763 -6.959 4.909 394 1HB SER 58 HB2 SER 58 64.656 -9.184 3.318 395 2HB SER 58 HB1 SER 58 65.392 -9.291 4.914 396 HG SER 58 HG SER 58 62.677 -8.632 4.700 397 H GLY 59 HN GLY 59 64.949 -6.717 6.897 398 1HA GLY 59 HA2 GLY 59 67.715 -7.023 7.253 399 2HA GLY 59 HA1 GLY 59 67.497 -5.377 6.663 400 HA PRO 60 HA PRO 60 65.955 -5.838 11.166 401 1HB PRO 60 HB2 PRO 60 68.042 -6.737 12.697 402 2HB PRO 60 HB1 PRO 60 66.811 -7.822 12.021 403 1HG PRO 60 HG2 PRO 60 69.588 -7.317 11.119 404 2HG PRO 60 HG1 PRO 60 68.630 -8.803 11.058 405 1HD PRO 60 HD2 PRO 60 69.099 -7.127 8.908 406 2HD PRO 60 HD1 PRO 60 67.770 -8.299 9.017 407 H GLY 61 HN GLY 61 68.499 -4.610 9.429 408 1HA GLY 61 HA2 GLY 61 68.573 -2.096 10.797 409 2HA GLY 61 HA1 GLY 61 70.042 -3.021 11.140 410 H CYS 62 HN CYS 62 68.143 -3.132 8.156 411 HA CYS 62 HA CYS 62 70.491 -2.860 6.490 412 1HB CYS 62 HB2 CYS 62 68.707 -4.143 5.653 413 2HB CYS 62 HB1 CYS 62 67.499 -2.971 6.167 414 H LYS 63 HN LYS 63 70.936 -1.118 5.012 415 HA LYS 63 HA LYS 63 69.579 1.487 5.507 416 1HB LYS 63 HB2 LYS 63 72.048 0.655 6.627 417 2HB LYS 63 HB1 LYS 63 72.445 1.815 5.359 418 1HG LYS 63 HG2 LYS 63 72.057 3.283 7.101 419 2HG LYS 63 HG1 LYS 63 70.417 3.156 6.463 420 1HD LYS 63 HD2 LYS 63 69.720 2.352 8.443 421 2HD LYS 63 HD1 LYS 63 70.802 0.972 8.248 422 1HE LYS 63 HE2 LYS 63 72.420 1.876 9.619 423 2HE LYS 63 HE1 LYS 63 72.046 3.540 9.129 424 1HZ LYS 63 HZ1 LYS 63 70.138 3.584 10.448 425 2HZ LYS 63 HZ2 LYS 63 71.282 2.811 11.437 426 3HZ LYS 63 HZ3 LYS 63 70.099 1.897 10.630 427 H ILE 64 HN ILE 64 68.928 1.953 3.416 428 HA ILE 64 HA ILE 64 70.779 1.299 1.167 429 HB ILE 64 HB ILE 64 68.167 0.753 1.515 430 1HG1 ILE 64 HG12 ILE 64 69.164 1.645 -1.201 431 2HG1 ILE 64 HG11 ILE 64 69.733 0.168 -0.424 432 1HG2 ILE 64 HG21 ILE 64 68.138 3.389 0.016 433 2HG2 ILE 64 HG22 ILE 64 67.569 3.173 1.672 434 3HG2 ILE 64 HG23 ILE 64 66.750 2.350 0.343 435 1HD1 ILE 64 HD1 ILE 64 66.834 0.827 -1.022 436 2HD1 ILE 64 HD1 ILE 64 67.418 -0.657 -0.271 437 3HD1 ILE 64 HD1 ILE 64 67.836 -0.293 -1.945 438 H SER 65 HN SER 65 70.935 3.045 -0.569 439 HA SER 65 HA SER 65 70.444 5.809 0.395 440 1HB SER 65 HB2 SER 65 72.546 5.559 1.364 441 2HB SER 65 HB1 SER 65 73.085 4.416 0.139 442 HG SER 65 HG SER 65 73.071 7.196 0.134 443 H THR 66 HN THR 66 69.039 5.822 -1.523 444 HA THR 66 HA THR 66 68.585 6.278 -3.794 445 HB THR 66 HB THR 66 70.074 7.845 -4.730 446 HG1 THR 66 HG1 THR 66 72.227 6.899 -3.194 447 1HG2 THR 66 HG21 THR 66 70.308 9.324 -3.011 448 2HG2 THR 66 HG22 THR 66 71.202 8.178 -2.013 449 3HG2 THR 66 HG23 THR 66 69.443 8.086 -2.100 450 H CYS 67 HN CYS 67 68.309 4.527 -5.120 451 HA CYS 67 HA CYS 67 70.746 3.180 -6.200 452 1HB CYS 67 HB2 CYS 67 68.322 1.800 -5.002 453 2HB CYS 67 HB1 CYS 67 69.743 1.002 -5.672 454 H ILE 68 HN ILE 68 68.843 1.104 -7.300 455 HA ILE 68 HA ILE 68 67.430 2.771 -9.351 456 HB ILE 68 HB ILE 68 68.938 0.209 -9.921 457 1HG1 ILE 68 HG12 ILE 68 70.451 1.963 -8.905 458 2HG1 ILE 68 HG11 ILE 68 70.870 1.520 -10.559 459 1HG2 ILE 68 HG21 ILE 68 67.276 1.017 -11.579 460 2HG2 ILE 68 HG22 ILE 68 68.919 1.081 -12.215 461 3HG2 ILE 68 HG23 ILE 68 68.128 2.558 -11.663 462 1HD1 ILE 68 HD1 ILE 68 70.125 4.105 -9.523 463 2HD1 ILE 68 HD1 ILE 68 68.972 3.605 -10.761 464 3HD1 ILE 68 HD1 ILE 68 70.693 3.684 -11.139 465 H ILE 69 HN ILE 69 65.739 1.427 -10.526 466 HA ILE 69 HA ILE 69 63.854 0.232 -8.873 467 HB ILE 69 HB ILE 69 64.589 -0.415 -11.747 468 1HG1 ILE 69 HG12 ILE 69 62.345 1.374 -10.853 469 2HG1 ILE 69 HG11 ILE 69 63.991 2.008 -10.894 470 1HG2 ILE 69 HG21 ILE 69 61.815 -0.648 -10.643 471 2HG2 ILE 69 HG22 ILE 69 62.954 -1.955 -10.321 472 3HG2 ILE 69 HG23 ILE 69 62.563 -1.518 -11.984 473 1HD1 ILE 69 HD1 ILE 69 63.167 2.503 -13.046 474 2HD1 ILE 69 HD1 ILE 69 62.327 0.957 -13.177 475 3HD1 ILE 69 HD1 ILE 69 64.085 1.017 -13.291 476 H THR 70 HN THR 70 63.376 -1.977 -8.300 477 HA THR 70 HA THR 70 65.699 -3.859 -8.585 478 HB THR 70 HB THR 70 63.875 -4.129 -6.270 479 HG1 THR 70 HG1 THR 70 65.745 -2.115 -5.989 480 1HG2 THR 70 HG21 THR 70 66.081 -5.351 -6.735 481 2HG2 THR 70 HG22 THR 70 65.897 -4.645 -5.129 482 3HG2 THR 70 HG23 THR 70 66.880 -3.827 -6.345 483 H GLY 71 HN GLY 71 64.024 -5.852 -7.087 484 1HA GLY 71 HA2 GLY 71 61.863 -7.017 -7.588 485 2HA GLY 71 HA1 GLY 71 62.107 -6.564 -9.275 486 H GLY 72 HN GLY 72 64.100 -8.129 -6.736 487 1HA GLY 72 HA2 GLY 72 65.363 -10.097 -6.825 488 2HA GLY 72 HA1 GLY 72 64.286 -10.631 -8.123 489 H VAL 73 HN VAL 73 65.662 -7.558 -8.611 490 HA VAL 73 HA VAL 73 67.761 -8.712 -10.422 491 HB VAL 73 HB VAL 73 67.058 -6.672 -11.863 492 1HG1 VAL 73 HG11 VAL 73 66.527 -8.928 -12.554 493 2HG1 VAL 73 HG12 VAL 73 65.076 -7.946 -12.760 494 3HG1 VAL 73 HG13 VAL 73 65.218 -9.030 -11.376 495 1HG2 VAL 73 HG21 VAL 73 64.429 -6.923 -10.430 496 2HG2 VAL 73 HG22 VAL 73 65.052 -5.579 -11.388 497 3HG2 VAL 73 HG23 VAL 73 65.663 -5.857 -9.757 498 HA PRO 74 HA PRO 74 69.678 -5.505 -7.757 499 1HB PRO 74 HB2 PRO 74 71.774 -7.029 -6.897 500 2HB PRO 74 HB1 PRO 74 70.187 -7.043 -6.105 501 1HG PRO 74 HG2 PRO 74 71.435 -9.062 -7.845 502 2HG PRO 74 HG1 PRO 74 70.203 -9.252 -6.594 503 1HD PRO 74 HD2 PRO 74 69.798 -9.194 -9.391 504 2HD PRO 74 HD1 PRO 74 68.550 -9.183 -8.126 505 H ALA 75 HN ALA 75 70.254 -6.870 -10.656 506 HA ALA 75 HA ALA 75 73.072 -6.397 -11.098 507 1HB ALA 75 HB1 ALA 75 72.320 -7.751 -12.753 508 2HB ALA 75 HB2 ALA 75 71.772 -6.273 -13.544 509 3HB ALA 75 HB3 ALA 75 70.656 -7.205 -12.547 510 HA PRO 76 HA PRO 76 71.570 -2.344 -13.152 511 1HB PRO 76 HB2 PRO 76 69.010 -1.520 -12.662 512 2HB PRO 76 HB1 PRO 76 69.447 -2.574 -14.021 513 1HG PRO 76 HG2 PRO 76 68.205 -3.265 -11.414 514 2HG PRO 76 HG1 PRO 76 67.919 -3.950 -13.021 515 1HD PRO 76 HD2 PRO 76 69.442 -5.143 -11.078 516 2HD PRO 76 HD1 PRO 76 69.620 -5.454 -12.816 517 H SER 77 HN SER 77 71.435 -3.251 -9.970 518 HA SER 77 HA SER 77 71.393 -0.395 -9.041 519 1HB SER 77 HB2 SER 77 70.623 -2.921 -7.536 520 2HB SER 77 HB1 SER 77 70.485 -1.271 -6.929 521 HG SER 77 HG SER 77 69.252 -2.111 -9.334 522 H ALA 78 HN ALA 78 73.555 -2.602 -9.853 523 HA ALA 78 HA ALA 78 75.174 -3.254 -7.653 524 1HB ALA 78 HB1 ALA 78 75.458 -3.809 -10.118 525 2HB ALA 78 HB2 ALA 78 76.950 -3.353 -9.297 526 3HB ALA 78 HB3 ALA 78 76.124 -2.190 -10.332 527 H ALA 79 HN ALA 79 74.472 -0.164 -9.063 528 HA ALA 79 HA ALA 79 76.709 1.247 -7.763 529 1HB ALA 79 HB1 ALA 79 74.376 1.858 -9.564 530 2HB ALA 79 HB2 ALA 79 76.099 2.104 -9.864 531 3HB ALA 79 HB3 ALA 79 75.231 3.183 -8.771 532 H CYS 80 HN CYS 80 73.993 -0.097 -6.555 533 HA CYS 80 HA CYS 80 72.859 2.147 -5.061 534 1HB CYS 80 HB2 CYS 80 71.465 0.313 -5.761 535 2HB CYS 80 HB1 CYS 80 72.546 -0.866 -5.018 536 H LYS 81 HN LYS 81 73.052 2.480 -2.801 537 HA LYS 81 HA LYS 81 75.504 1.302 -1.559 538 1HB LYS 81 HB2 LYS 81 73.974 3.862 -1.424 539 2HB LYS 81 HB1 LYS 81 74.781 3.341 0.054 540 1HG LYS 81 HG2 LYS 81 76.388 4.671 -1.094 541 2HG LYS 81 HG1 LYS 81 76.873 3.001 -1.391 542 1HD LYS 81 HD2 LYS 81 74.965 3.787 -3.391 543 2HD LYS 81 HD1 LYS 81 76.252 4.991 -3.319 544 1HE LYS 81 HE2 LYS 81 76.974 2.067 -3.313 545 2HE LYS 81 HE1 LYS 81 76.595 2.880 -4.844 546 1HZ LYS 81 HZ1 LYS 81 78.131 4.699 -4.040 547 2HZ LYS 81 HZ2 LYS 81 78.879 3.245 -4.505 548 3HZ LYS 81 HZ3 LYS 81 78.669 3.607 -2.858 549 H ILE 82 HN ILE 82 74.591 -0.668 -0.750 550 HA ILE 82 HA ILE 82 72.437 -0.311 1.311 551 HB ILE 82 HB ILE 82 71.677 -1.483 -0.695 552 1HG1 ILE 82 HG12 ILE 82 71.071 -2.300 1.681 553 2HG1 ILE 82 HG11 ILE 82 70.765 -3.406 0.344 554 1HG2 ILE 82 HG21 ILE 82 73.400 -2.443 -1.842 555 2HG2 ILE 82 HG22 ILE 82 72.976 -3.863 -0.885 556 3HG2 ILE 82 HG23 ILE 82 74.301 -2.820 -0.373 557 1HD1 ILE 82 HD1 ILE 82 73.455 -3.832 1.226 558 2HD1 ILE 82 HD1 ILE 82 72.090 -4.941 1.319 559 3HD1 ILE 82 HD1 ILE 82 72.411 -3.828 2.646 560 H SER 83 HN SER 83 72.665 -1.587 3.226 561 HA SER 83 HA SER 83 75.162 -3.174 3.548 562 1HB SER 83 HB2 SER 83 74.369 -0.874 5.359 563 2HB SER 83 HB1 SER 83 75.839 -1.837 5.465 564 HG SER 83 HG SER 83 76.490 -0.993 3.495 565 H GLY 84 HN GLY 84 74.089 -5.083 4.085 566 1HA GLY 84 HA2 GLY 84 73.133 -6.544 5.698 567 2HA GLY 84 HA1 GLY 84 72.712 -5.139 6.679 568 H CYS 85 HN CYS 85 71.879 -5.979 3.298 569 HA CYS 85 HA CYS 85 68.993 -5.902 4.118 570 1HB CYS 85 HB2 CYS 85 70.386 -3.969 2.693 571 2HB CYS 85 HB1 CYS 85 69.601 -4.913 1.428 572 H THR 86 HN THR 86 67.574 -7.066 2.624 573 HA THR 86 HA THR 86 69.004 -9.169 1.030 574 HB THR 86 HB THR 86 66.381 -9.990 1.813 575 HG1 THR 86 HG1 THR 86 67.191 -9.864 4.198 576 1HG2 THR 86 HG21 THR 86 67.546 -11.876 2.218 577 2HG2 THR 86 HG22 THR 86 68.568 -11.068 3.407 578 3HG2 THR 86 HG23 THR 86 68.979 -10.991 1.693 579 H PHE 87 HN PHE 87 67.665 -9.981 -0.839 580 HA PHE 87 HA PHE 87 65.673 -7.957 -1.802 581 1HB PHE 87 HB2 PHE 87 67.694 -9.254 -3.625 582 2HB PHE 87 HB1 PHE 87 66.820 -7.741 -3.850 583 HD1 PHE 87 HD1 PHE 87 69.975 -8.904 -3.379 584 HD2 PHE 87 HD2 PHE 87 67.237 -6.151 -1.539 585 HE1 PHE 87 HE1 PHE 87 71.883 -7.667 -2.390 586 HE2 PHE 87 HE2 PHE 87 69.147 -4.912 -0.549 587 HZ PHE 87 HZ PHE 87 71.470 -5.673 -0.977 588 H SER 88 HN SER 88 64.248 -8.867 -3.533 589 HA SER 88 HA SER 88 64.235 -11.595 -4.342 590 1HB SER 88 HB2 SER 88 63.612 -11.144 -1.599 591 2HB SER 88 HB1 SER 88 62.119 -11.630 -2.396 592 HG SER 88 HG SER 88 64.420 -13.030 -3.077 593 H ALA 89 HN ALA 89 62.906 -11.521 -6.102 594 HA ALA 89 HA ALA 89 61.296 -9.467 -6.985 595 1HB ALA 89 HB1 ALA 89 60.028 -11.328 -8.175 596 2HB ALA 89 HB2 ALA 89 60.962 -12.469 -7.207 597 3HB ALA 89 HB3 ALA 89 61.782 -11.394 -8.340 598 H ASN 90 HN ASN 90 59.126 -8.827 -6.701 599 HA ASN 90 HA ASN 90 57.622 -10.188 -4.493 600 1HB ASN 90 HB2 ASN 90 58.458 -8.211 -3.515 601 2HB ASN 90 HB1 ASN 90 58.283 -7.289 -5.011 602 1HD2 ASN 90 HD2 ASN 90 56.081 -6.590 -5.613 603 2HD2 ASN 90 HD2 ASN 90 54.841 -6.540 -4.454 Start of MODEL 6 1 1H ASP 1 HT1 ASP 1 45.921 10.159 1.730 2 2H ASP 1 HT2 ASP 1 44.772 11.369 1.412 3 3H ASP 1 HT3 ASP 1 44.331 9.985 2.292 4 HA ASP 1 HA ASP 1 46.507 11.644 3.354 5 1HB ASP 1 HB2 ASP 1 44.726 13.101 4.373 6 2HB ASP 1 HB1 ASP 1 44.844 13.261 2.621 7 H GLY 2 HN GLY 2 46.923 9.499 4.350 8 1HA GLY 2 HA2 GLY 2 44.897 8.774 6.429 9 2HA GLY 2 HA1 GLY 2 46.039 7.626 5.729 10 H SER 3 HN SER 3 47.158 7.076 7.620 11 HA SER 3 HA SER 3 47.952 8.709 9.746 12 1HB SER 3 HB2 SER 3 48.713 6.183 8.502 13 2HB SER 3 HB1 SER 3 50.092 6.974 9.255 14 HG SER 3 HG SER 3 47.576 6.422 10.457 15 H CYS 4 HN CYS 4 49.228 8.556 6.491 16 HA CYS 4 HA CYS 4 50.504 11.073 6.556 17 1HB CYS 4 HB2 CYS 4 52.921 10.122 6.701 18 2HB CYS 4 HB1 CYS 4 52.019 10.312 8.198 19 H THR 5 HN THR 5 51.216 7.757 5.383 20 HA THR 5 HA THR 5 50.888 8.723 2.594 21 HB THR 5 HB THR 5 53.298 8.933 3.371 22 HG1 THR 5 HG1 THR 5 52.398 7.380 1.242 23 1HG2 THR 5 HG21 THR 5 54.536 6.722 3.474 24 2HG2 THR 5 HG22 THR 5 52.961 5.933 3.575 25 3HG2 THR 5 HG23 THR 5 53.472 7.045 4.845 26 H ASN 6 HN ASN 6 49.677 6.774 4.705 27 HA ASN 6 HA ASN 6 50.005 4.154 3.381 28 1HB ASN 6 HB2 ASN 6 48.192 5.015 5.654 29 2HB ASN 6 HB1 ASN 6 48.724 3.375 5.282 30 1HD2 ASN 6 HD2 ASN 6 51.498 4.611 4.583 31 2HD2 ASN 6 HD2 ASN 6 52.224 4.825 6.102 32 H THR 7 HN THR 7 48.974 5.686 1.447 33 HA THR 7 HA THR 7 46.001 5.483 1.532 34 HB THR 7 HB THR 7 46.207 6.881 -0.525 35 HG1 THR 7 HG1 THR 7 48.966 7.001 -0.002 36 1HG2 THR 7 HG21 THR 7 46.073 8.370 1.198 37 2HG2 THR 7 HG22 THR 7 47.755 8.692 0.775 38 3HG2 THR 7 HG23 THR 7 47.373 7.595 2.102 39 H ASN 8 HN ASN 8 45.432 3.370 1.016 40 HA ASN 8 HA ASN 8 45.110 1.484 -0.374 41 1HB ASN 8 HB2 ASN 8 46.742 3.009 -2.419 42 2HB ASN 8 HB1 ASN 8 45.465 1.828 -2.709 43 1HD2 ASN 8 HD2 ASN 8 45.742 4.851 -3.390 44 2HD2 ASN 8 HD2 ASN 8 44.276 5.511 -2.842 45 H SER 9 HN SER 9 47.917 2.460 0.953 46 HA SER 9 HA SER 9 49.388 0.017 0.038 47 1HB SER 9 HB2 SER 9 50.046 2.827 -0.190 48 2HB SER 9 HB1 SER 9 51.234 2.017 0.826 49 HG SER 9 HG SER 9 51.948 1.659 -1.193 50 H GLN 10 HN GLN 10 51.293 -0.309 1.788 51 HA GLN 10 HA GLN 10 50.161 0.277 4.503 52 1HB GLN 10 HB2 GLN 10 49.668 -2.032 3.656 53 2HB GLN 10 HB1 GLN 10 51.405 -2.319 3.548 54 1HG GLN 10 HG2 GLN 10 51.465 -1.586 6.037 55 2HG GLN 10 HG1 GLN 10 49.726 -1.876 6.011 56 1HE2 GLN 10 HE21 GLN 10 52.892 -3.451 5.755 57 2HE2 GLN 10 HE22 GLN 10 52.308 -5.038 5.898 58 H LEU 11 HN LEU 11 51.670 1.595 5.444 59 HA LEU 11 HA LEU 11 54.563 1.151 4.869 60 1HB LEU 11 HB2 LEU 11 53.176 3.389 4.746 61 2HB LEU 11 HB1 LEU 11 53.393 3.395 6.497 62 HG LEU 11 HG LEU 11 55.909 2.937 5.919 63 1HD1 LEU 11 HD1 LEU 11 55.122 2.731 3.413 64 2HD1 LEU 11 HD1 LEU 11 56.650 3.527 3.788 65 3HD1 LEU 11 HD1 LEU 11 55.214 4.492 3.445 66 1HD2 LEU 11 HD2 LEU 11 55.810 4.987 6.886 67 2HD2 LEU 11 HD2 LEU 11 54.296 5.385 6.072 68 3HD2 LEU 11 HD2 LEU 11 55.835 5.623 5.241 69 H SER 12 HN SER 12 52.912 -0.587 6.664 70 HA SER 12 HA SER 12 53.244 -1.710 8.712 71 1HB SER 12 HB2 SER 12 55.639 -1.310 7.938 72 2HB SER 12 HB1 SER 12 55.648 0.114 8.975 73 HG SER 12 HG SER 12 55.300 -1.189 10.738 74 H ALA 13 HN ALA 13 52.327 1.412 8.412 75 HA ALA 13 HA ALA 13 51.542 3.064 9.921 76 1HB ALA 13 HB1 ALA 13 49.754 1.905 10.670 77 2HB ALA 13 HB2 ALA 13 50.739 1.339 12.020 78 3HB ALA 13 HB3 ALA 13 50.645 0.388 10.538 79 H ASN 14 HN ASN 14 54.426 2.020 10.309 80 HA ASN 14 HA ASN 14 54.871 3.383 12.883 81 1HB ASN 14 HB2 ASN 14 54.252 0.977 13.366 82 2HB ASN 14 HB1 ASN 14 55.708 0.494 12.494 83 1HD2 ASN 14 HD2 ASN 14 57.035 -0.218 14.222 84 2HD2 ASN 14 HD2 ASN 14 57.479 0.766 15.533 85 H SER 15 HN SER 15 55.723 3.247 9.842 86 HA SER 15 HA SER 15 58.679 3.159 10.294 87 1HB SER 15 HB2 SER 15 58.823 2.430 8.090 88 2HB SER 15 HB1 SER 15 57.196 1.871 8.468 89 HG SER 15 HG SER 15 57.770 3.382 6.522 90 H LYS 16 HN LYS 16 58.822 4.778 7.675 91 HA LYS 16 HA LYS 16 58.268 7.462 8.906 92 1HB LYS 16 HB2 LYS 16 60.611 6.233 7.534 93 2HB LYS 16 HB1 LYS 16 60.295 7.931 7.181 94 1HG LYS 16 HG2 LYS 16 60.379 6.876 10.011 95 2HG LYS 16 HG1 LYS 16 61.828 7.445 9.183 96 1HD LYS 16 HD2 LYS 16 59.784 9.390 8.765 97 2HD LYS 16 HD1 LYS 16 59.807 9.001 10.485 98 1HE LYS 16 HE2 LYS 16 61.885 9.918 10.795 99 2HE LYS 16 HE1 LYS 16 62.474 9.355 9.218 100 1HZ LYS 16 HZ1 LYS 16 61.782 11.888 9.701 101 2HZ LYS 16 HZ2 LYS 16 60.299 11.277 9.143 102 3HZ LYS 16 HZ3 LYS 16 61.685 11.171 8.168 103 H CYS 17 HN CYS 17 56.785 8.621 7.735 104 HA CYS 17 HA CYS 17 56.145 7.750 4.963 105 1HB CYS 17 HB2 CYS 17 54.777 9.847 6.657 106 2HB CYS 17 HB1 CYS 17 54.092 8.908 5.333 107 H GLU 18 HN GLU 18 58.522 8.914 4.657 108 HA GLU 18 HA GLU 18 58.162 11.847 4.306 109 1HB GLU 18 HB2 GLU 18 60.287 10.034 4.887 110 2HB GLU 18 HB1 GLU 18 60.682 10.856 3.376 111 1HG GLU 18 HG2 GLU 18 59.568 12.590 5.499 112 2HG GLU 18 HG1 GLU 18 61.162 11.917 5.840 113 H LYS 19 HN LYS 19 56.580 10.163 2.598 114 HA LYS 19 HA LYS 19 57.018 11.327 0.049 115 1HB LYS 19 HB2 LYS 19 58.929 9.402 0.663 116 2HB LYS 19 HB1 LYS 19 57.773 8.517 -0.333 117 1HG LYS 19 HG2 LYS 19 58.786 11.236 -1.159 118 2HG LYS 19 HG1 LYS 19 59.680 9.767 -1.552 119 1HD LYS 19 HD2 LYS 19 58.321 9.447 -3.315 120 2HD LYS 19 HD1 LYS 19 56.963 9.264 -2.203 121 1HE LYS 19 HE2 LYS 19 56.465 11.069 -3.792 122 2HE LYS 19 HE1 LYS 19 56.728 11.779 -2.185 123 1HZ LYS 19 HZ1 LYS 19 58.043 12.643 -4.284 124 2HZ LYS 19 HZ2 LYS 19 59.064 11.342 -3.894 125 3HZ LYS 19 HZ3 LYS 19 58.772 12.568 -2.755 126 H SER 20 HN SER 20 55.245 10.844 -1.294 127 HA SER 20 HA SER 20 53.006 9.438 -0.111 128 1HB SER 20 HB2 SER 20 52.045 9.946 -2.425 129 2HB SER 20 HB1 SER 20 52.634 11.337 -1.519 130 HG SER 20 HG SER 20 53.416 11.352 -3.655 131 H THR 21 HN THR 21 51.801 7.809 -1.700 132 HA THR 21 HA THR 21 53.763 5.867 -2.855 133 HB THR 21 HB THR 21 51.823 4.313 -1.628 134 HG1 THR 21 HG1 THR 21 51.634 5.199 0.446 135 1HG2 THR 21 HG21 THR 21 54.629 4.983 -1.277 136 2HG2 THR 21 HG22 THR 21 53.818 3.431 -1.070 137 3HG2 THR 21 HG23 THR 21 53.864 4.585 0.262 138 H LEU 22 HN LEU 22 51.874 3.889 -3.489 139 HA LEU 22 HA LEU 22 49.919 5.326 -5.251 140 1HB LEU 22 HB2 LEU 22 52.170 4.354 -6.216 141 2HB LEU 22 HB1 LEU 22 51.337 2.806 -6.083 142 HG LEU 22 HG LEU 22 49.409 3.866 -7.356 143 1HD1 LEU 22 HD1 LEU 22 51.528 5.973 -7.881 144 2HD1 LEU 22 HD1 LEU 22 50.047 6.216 -6.955 145 3HD1 LEU 22 HD1 LEU 22 49.960 5.875 -8.683 146 1HD2 LEU 22 HD2 LEU 22 50.806 2.352 -8.553 147 2HD2 LEU 22 HD2 LEU 22 52.148 3.496 -8.581 148 3HD2 LEU 22 HD2 LEU 22 50.715 3.792 -9.567 149 H THR 23 HN THR 23 50.718 1.899 -4.608 150 HA THR 23 HA THR 23 48.576 1.249 -2.885 151 HB THR 23 HB THR 23 47.045 2.045 -4.543 152 HG1 THR 23 HG1 THR 23 46.888 -0.270 -3.747 153 1HG2 THR 23 HG21 THR 23 47.486 0.637 -6.888 154 2HG2 THR 23 HG22 THR 23 49.116 1.050 -6.355 155 3HG2 THR 23 HG23 THR 23 47.921 2.322 -6.607 156 H ASN 24 HN ASN 24 51.293 0.408 -3.570 157 HA ASN 24 HA ASN 24 50.826 -2.507 -3.685 158 1HB ASN 24 HB2 ASN 24 51.456 -0.938 -5.974 159 2HB ASN 24 HB1 ASN 24 52.905 -1.856 -5.567 160 1HD2 ASN 24 HD2 ASN 24 50.459 -2.131 -7.624 161 2HD2 ASN 24 HD2 ASN 24 50.136 -3.796 -7.550 162 H CYS 25 HN CYS 25 51.761 -1.164 -1.484 163 HA CYS 25 HA CYS 25 54.618 -2.020 -1.396 164 1HB CYS 25 HB2 CYS 25 53.505 0.683 -0.587 165 2HB CYS 25 HB1 CYS 25 55.151 0.139 -0.263 166 H TYR 26 HN TYR 26 54.505 -3.552 0.192 167 HA TYR 26 HA TYR 26 52.868 -2.988 2.635 168 1HB TYR 26 HB2 TYR 26 54.163 -5.577 1.726 169 2HB TYR 26 HB1 TYR 26 52.889 -5.389 2.928 170 HD1 TYR 26 HD1 TYR 26 53.687 -5.225 -0.680 171 HD2 TYR 26 HD2 TYR 26 50.583 -5.066 2.285 172 HE1 TYR 26 HE1 TYR 26 51.975 -5.440 -2.461 173 HE2 TYR 26 HE2 TYR 26 48.870 -5.280 0.504 174 HH TYR 26 HH TYR 26 49.016 -6.388 -2.061 175 H VAL 27 HN VAL 27 54.266 -1.846 4.024 176 HA VAL 27 HA VAL 27 57.076 -2.848 4.249 177 HB VAL 27 HB VAL 27 55.853 -0.285 5.331 178 1HG1 VAL 27 HG11 VAL 27 58.582 -0.141 4.389 179 2HG1 VAL 27 HG12 VAL 27 58.409 -1.466 5.540 180 3HG1 VAL 27 HG13 VAL 27 57.950 0.170 6.007 181 1HG2 VAL 27 HG21 VAL 27 57.396 0.032 2.892 182 2HG2 VAL 27 HG22 VAL 27 55.771 0.605 3.261 183 3HG2 VAL 27 HG23 VAL 27 56.008 -1.019 2.620 184 H ASP 28 HN ASP 28 57.995 -3.018 6.448 185 HA ASP 28 HA ASP 28 56.017 -3.259 8.667 186 1HB ASP 28 HB2 ASP 28 56.806 -5.406 7.178 187 2HB ASP 28 HB1 ASP 28 58.035 -5.414 8.444 188 H LYS 29 HN LYS 29 56.860 -2.151 10.391 189 HA LYS 29 HA LYS 29 58.473 -0.930 11.652 190 1HB LYS 29 HB2 LYS 29 58.636 -3.725 11.829 191 2HB LYS 29 HB1 LYS 29 60.312 -3.189 11.703 192 1HG LYS 29 HG2 LYS 29 60.261 -2.104 13.718 193 2HG LYS 29 HG1 LYS 29 58.579 -1.608 13.522 194 1HD LYS 29 HD2 LYS 29 58.071 -4.167 13.802 195 2HD LYS 29 HD1 LYS 29 59.672 -4.215 14.543 196 1HE LYS 29 HE2 LYS 29 59.023 -2.910 16.356 197 2HE LYS 29 HE1 LYS 29 57.748 -2.087 15.435 198 1HZ LYS 29 HZ1 LYS 29 56.436 -3.570 16.499 199 2HZ LYS 29 HZ2 LYS 29 57.694 -4.682 16.755 200 3HZ LYS 29 HZ3 LYS 29 56.926 -4.599 15.242 201 H SER 30 HN SER 30 58.945 0.196 9.390 202 HA SER 30 HA SER 30 61.867 -0.177 8.815 203 1HB SER 30 HB2 SER 30 59.782 0.574 6.767 204 2HB SER 30 HB1 SER 30 61.393 -0.095 6.495 205 HG SER 30 HG SER 30 60.643 -2.028 7.500 206 H GLU 31 HN GLU 31 62.238 1.834 7.067 207 HA GLU 31 HA GLU 31 61.116 4.345 8.208 208 1HB GLU 31 HB2 GLU 31 64.043 3.549 8.006 209 2HB GLU 31 HB1 GLU 31 63.503 5.195 8.330 210 1HG GLU 31 HG2 GLU 31 62.184 4.236 10.294 211 2HG GLU 31 HG1 GLU 31 63.083 2.738 10.045 212 H VAL 32 HN VAL 32 60.144 4.976 6.253 213 HA VAL 32 HA VAL 32 61.789 4.772 3.772 214 HB VAL 32 HB VAL 32 58.834 5.134 4.334 215 1HG1 VAL 32 HG11 VAL 32 60.154 6.053 2.104 216 2HG1 VAL 32 HG12 VAL 32 58.459 5.566 2.137 217 3HG1 VAL 32 HG13 VAL 32 59.696 4.423 1.611 218 1HG2 VAL 32 HG21 VAL 32 60.466 2.836 3.194 219 2HG2 VAL 32 HG22 VAL 32 58.707 2.854 3.338 220 3HG2 VAL 32 HG23 VAL 32 59.712 2.878 4.790 221 H TYR 33 HN TYR 33 62.636 6.596 2.930 222 HA TYR 33 HA TYR 33 61.667 9.236 3.934 223 1HB TYR 33 HB2 TYR 33 64.137 8.106 3.952 224 2HB TYR 33 HB1 TYR 33 64.211 8.969 2.417 225 HD1 TYR 33 HD1 TYR 33 65.225 11.054 2.612 226 HD2 TYR 33 HD2 TYR 33 62.714 9.646 5.800 227 HE1 TYR 33 HE1 TYR 33 65.597 13.176 3.842 228 HE2 TYR 33 HE2 TYR 33 63.085 11.767 7.031 229 HH TYR 33 HH TYR 33 63.949 13.822 6.931 230 H GLY 34 HN GLY 34 63.296 10.325 1.535 231 1HA GLY 34 HA2 GLY 34 61.065 10.698 -0.239 232 2HA GLY 34 HA1 GLY 34 62.733 11.147 -0.593 233 H THR 35 HN THR 35 60.872 8.106 -0.182 234 HA THR 35 HA THR 35 62.442 6.956 -2.455 235 HB THR 35 HB THR 35 61.047 5.905 -0.006 236 HG1 THR 35 HG1 THR 35 63.133 6.053 0.364 237 1HG2 THR 35 HG21 THR 35 61.867 4.199 -2.374 238 2HG2 THR 35 HG22 THR 35 60.200 4.571 -1.937 239 3HG2 THR 35 HG23 THR 35 61.206 3.623 -0.844 240 H THR 36 HN THR 36 61.170 5.498 -3.926 241 HA THR 36 HA THR 36 58.483 6.682 -4.481 242 HB THR 36 HB THR 36 58.928 6.033 -6.753 243 HG1 THR 36 HG1 THR 36 60.955 4.459 -5.565 244 1HG2 THR 36 HG21 THR 36 60.186 7.990 -6.151 245 2HG2 THR 36 HG22 THR 36 61.255 6.968 -7.112 246 3HG2 THR 36 HG23 THR 36 61.427 7.021 -5.357 247 H CYS 37 HN CYS 37 56.978 4.978 -5.606 248 HA CYS 37 HA CYS 37 57.287 2.241 -4.488 249 1HB CYS 37 HB2 CYS 37 55.725 4.335 -3.329 250 2HB CYS 37 HB1 CYS 37 54.611 3.140 -3.993 251 H THR 38 HN THR 38 56.856 0.922 -6.211 252 HA THR 38 HA THR 38 54.547 1.596 -7.986 253 HB THR 38 HB THR 38 57.413 0.975 -8.754 254 HG1 THR 38 HG1 THR 38 57.391 2.989 -9.505 255 1HG2 THR 38 HG21 THR 38 56.763 0.272 -10.801 256 2HG2 THR 38 HG22 THR 38 55.526 1.522 -10.926 257 3HG2 THR 38 HG23 THR 38 55.175 0.018 -10.076 258 H GLY 39 HN GLY 39 56.911 -0.819 -6.879 259 1HA GLY 39 HA2 GLY 39 54.915 -2.887 -6.708 260 2HA GLY 39 HA1 GLY 39 55.914 -3.116 -8.145 261 H SER 40 HN SER 40 56.361 -2.357 -4.672 262 HA SER 40 HA SER 40 58.544 -4.407 -4.615 263 1HB SER 40 HB2 SER 40 59.983 -2.660 -4.514 264 2HB SER 40 HB1 SER 40 58.671 -1.504 -4.318 265 HG SER 40 HG SER 40 60.277 -2.730 -2.446 266 H ARG 41 HN ARG 41 59.218 -4.595 -2.126 267 HA ARG 41 HA ARG 41 56.811 -4.392 -0.375 268 1HB ARG 41 HB2 ARG 41 56.574 -6.596 -1.117 269 2HB ARG 41 HB1 ARG 41 58.310 -6.821 -1.314 270 1HG ARG 41 HG2 ARG 41 57.322 -8.074 0.639 271 2HG ARG 41 HG1 ARG 41 58.632 -6.978 1.074 272 1HD ARG 41 HD2 ARG 41 57.251 -5.594 2.271 273 2HD ARG 41 HD1 ARG 41 55.908 -5.791 1.126 274 HE ARG 41 HE ARG 41 55.544 -8.063 2.137 275 1HH1 ARG 41 HH1 ARG 41 55.476 -5.581 4.126 276 2HH1 ARG 41 HH1 ARG 41 56.134 -6.348 5.532 277 1HH2 ARG 41 HH2 ARG 41 57.259 -9.140 3.810 278 2HH2 ARG 41 HH2 ARG 41 57.143 -8.363 5.354 279 H PHE 42 HN PHE 42 57.424 -3.623 1.621 280 HA PHE 42 HA PHE 42 60.349 -3.667 2.275 281 1HB PHE 42 HB2 PHE 42 58.040 -1.831 2.795 282 2HB PHE 42 HB1 PHE 42 59.418 -1.804 3.891 283 HD1 PHE 42 HD1 PHE 42 60.785 0.014 3.426 284 HD2 PHE 42 HD2 PHE 42 59.108 -2.237 0.174 285 HE1 PHE 42 HE1 PHE 42 62.041 1.410 1.810 286 HE2 PHE 42 HE2 PHE 42 60.372 -0.843 -1.443 287 HZ PHE 42 HZ PHE 42 61.842 0.979 -0.625 288 H ASP 43 HN ASP 43 60.875 -3.905 4.575 289 HA ASP 43 HA ASP 43 59.075 -4.761 6.616 290 1HB ASP 43 HB2 ASP 43 58.754 -6.629 4.978 291 2HB ASP 43 HB1 ASP 43 60.481 -6.977 5.075 292 H GLY 44 HN GLY 44 60.400 -3.956 8.254 293 1HA GLY 44 HA2 GLY 44 62.374 -3.541 9.477 294 2HA GLY 44 HA1 GLY 44 62.825 -5.191 9.022 295 H VAL 45 HN VAL 45 62.568 -1.962 7.508 296 HA VAL 45 HA VAL 45 65.248 -2.406 6.271 297 HB VAL 45 HB VAL 45 62.561 -2.051 4.970 298 1HG1 VAL 45 HG11 VAL 45 63.421 -0.391 3.678 299 2HG1 VAL 45 HG12 VAL 45 64.292 -1.701 2.878 300 3HG1 VAL 45 HG13 VAL 45 65.084 -0.761 4.142 301 1HG2 VAL 45 HG21 VAL 45 65.002 -3.782 4.523 302 2HG2 VAL 45 HG22 VAL 45 63.650 -3.725 3.390 303 3HG2 VAL 45 HG23 VAL 45 63.396 -4.296 5.040 304 H THR 46 HN THR 46 66.398 -0.594 6.868 305 HA THR 46 HA THR 46 64.934 1.974 7.249 306 HB THR 46 HB THR 46 67.825 1.312 7.854 307 HG1 THR 46 HG1 THR 46 65.604 1.098 9.599 308 1HG2 THR 46 HG21 THR 46 67.861 3.431 8.595 309 2HG2 THR 46 HG22 THR 46 66.534 3.074 9.700 310 3HG2 THR 46 HG23 THR 46 66.192 3.636 8.062 311 H ILE 47 HN ILE 47 64.682 2.540 5.023 312 HA ILE 47 HA ILE 47 67.212 2.984 3.485 313 HB ILE 47 HB ILE 47 65.597 2.971 1.553 314 1HG1 ILE 47 HG12 ILE 47 63.387 1.821 3.011 315 2HG1 ILE 47 HG11 ILE 47 63.762 3.416 3.662 316 1HG2 ILE 47 HG21 ILE 47 64.732 0.499 2.239 317 2HG2 ILE 47 HG22 ILE 47 65.992 0.723 3.455 318 3HG2 ILE 47 HG23 ILE 47 66.391 0.831 1.740 319 1HD1 ILE 47 HD1 ILE 47 62.208 3.770 1.869 320 2HD1 ILE 47 HD1 ILE 47 63.111 2.705 0.792 321 3HD1 ILE 47 HD1 ILE 47 63.789 4.263 1.263 322 H THR 48 HN THR 48 67.128 5.017 2.080 323 HA THR 48 HA THR 48 65.629 7.197 3.485 324 HB THR 48 HB THR 48 68.279 6.822 3.607 325 HG1 THR 48 HG1 THR 48 68.361 9.219 3.700 326 1HG2 THR 48 HG21 THR 48 69.524 7.774 1.900 327 2HG2 THR 48 HG22 THR 48 68.189 8.799 1.364 328 3HG2 THR 48 HG23 THR 48 68.194 7.080 0.972 329 H THR 49 HN THR 49 66.336 9.237 1.649 330 HA THR 49 HA THR 49 64.357 9.138 -0.318 331 HB THR 49 HB THR 49 67.083 10.469 -0.292 332 HG1 THR 49 HG1 THR 49 65.386 12.244 0.164 333 1HG2 THR 49 HG21 THR 49 66.194 10.416 -2.578 334 2HG2 THR 49 HG22 THR 49 66.108 12.052 -1.925 335 3HG2 THR 49 HG23 THR 49 64.654 11.058 -2.005 336 H SER 50 HN SER 50 64.362 7.001 -1.335 337 HA SER 50 HA SER 50 66.492 6.737 -3.414 338 1HB SER 50 HB2 SER 50 67.266 5.261 -1.769 339 2HB SER 50 HB1 SER 50 65.640 4.826 -1.257 340 HG SER 50 HG SER 50 66.762 3.216 -2.546 341 H THR 51 HN THR 51 65.670 6.249 -5.387 342 HA THR 51 HA THR 51 62.778 5.777 -5.695 343 HB THR 51 HB THR 51 63.471 5.938 -8.129 344 HG1 THR 51 HG1 THR 51 65.798 6.889 -8.041 345 1HG2 THR 51 HG21 THR 51 64.617 8.351 -7.581 346 2HG2 THR 51 HG22 THR 51 63.853 7.985 -6.034 347 3HG2 THR 51 HG23 THR 51 62.882 8.045 -7.504 348 H SER 52 HN SER 52 63.528 3.599 -4.381 349 HA SER 52 HA SER 52 64.037 1.479 -6.445 350 1HB SER 52 HB2 SER 52 65.658 2.076 -4.438 351 2HB SER 52 HB1 SER 52 64.498 1.148 -3.493 352 HG SER 52 HG SER 52 65.358 0.069 -5.915 353 H THR 53 HN THR 53 62.299 0.119 -6.744 354 HA THR 53 HA THR 53 60.664 -0.800 -4.524 355 HB THR 53 HB THR 53 59.626 1.308 -4.585 356 HG1 THR 53 HG1 THR 53 57.873 0.150 -4.759 357 1HG2 THR 53 HG21 THR 53 60.761 2.226 -6.520 358 2HG2 THR 53 HG22 THR 53 59.024 2.436 -6.741 359 3HG2 THR 53 HG23 THR 53 59.871 1.150 -7.600 360 H GLY 54 HN GLY 54 61.584 -2.697 -5.804 361 1HA GLY 54 HA2 GLY 54 59.642 -3.462 -7.936 362 2HA GLY 54 HA1 GLY 54 61.367 -3.750 -8.167 363 H SER 55 HN SER 55 62.264 -4.748 -5.870 364 HA SER 55 HA SER 55 60.690 -7.255 -5.506 365 1HB SER 55 HB2 SER 55 63.146 -7.687 -4.412 366 2HB SER 55 HB1 SER 55 62.791 -7.949 -6.114 367 HG SER 55 HG SER 55 64.496 -6.603 -6.128 368 H ARG 56 HN ARG 56 61.559 -8.158 -3.114 369 HA ARG 56 HA ARG 56 60.582 -6.084 -1.193 370 1HB ARG 56 HB2 ARG 56 59.831 -7.957 0.100 371 2HB ARG 56 HB1 ARG 56 59.438 -8.343 -1.573 372 1HG ARG 56 HG2 ARG 56 61.440 -9.726 -1.765 373 2HG ARG 56 HG1 ARG 56 61.939 -9.274 -0.133 374 1HD ARG 56 HD2 ARG 56 59.823 -10.295 0.751 375 2HD ARG 56 HD1 ARG 56 59.461 -10.862 -0.891 376 HE ARG 56 HE ARG 56 62.141 -11.607 -0.224 377 1HH1 ARG 56 HH1 ARG 56 58.819 -12.357 0.322 378 2HH1 ARG 56 HH1 ARG 56 59.135 -13.974 0.853 379 1HH2 ARG 56 HH2 ARG 56 62.576 -13.685 0.563 380 2HH2 ARG 56 HH2 ARG 56 61.258 -14.726 0.988 381 H ILE 57 HN ILE 57 61.937 -5.400 0.475 382 HA ILE 57 HA ILE 57 64.652 -6.660 0.589 383 HB ILE 57 HB ILE 57 63.589 -3.908 1.255 384 1HG1 ILE 57 HG12 ILE 57 65.230 -5.150 -0.922 385 2HG1 ILE 57 HG11 ILE 57 64.008 -3.883 -1.028 386 1HG2 ILE 57 HG21 ILE 57 65.816 -3.331 2.019 387 2HG2 ILE 57 HG22 ILE 57 66.428 -4.927 1.588 388 3HG2 ILE 57 HG23 ILE 57 65.294 -4.748 2.925 389 1HD1 ILE 57 HD1 ILE 57 66.280 -2.983 -1.451 390 2HD1 ILE 57 HD1 ILE 57 66.785 -3.547 0.144 391 3HD1 ILE 57 HD1 ILE 57 65.570 -2.276 0.003 392 H SER 58 HN SER 58 65.624 -6.896 2.713 393 HA SER 58 HA SER 58 63.799 -6.725 5.059 394 1HB SER 58 HB2 SER 58 64.147 -9.058 3.562 395 2HB SER 58 HB1 SER 58 65.218 -9.276 4.943 396 HG SER 58 HG SER 58 63.129 -8.329 6.032 397 H GLY 59 HN GLY 59 65.006 -6.863 7.115 398 1HA GLY 59 HA2 GLY 59 67.632 -7.442 7.604 399 2HA GLY 59 HA1 GLY 59 67.756 -5.863 6.833 400 HA PRO 60 HA PRO 60 65.979 -5.614 11.310 401 1HB PRO 60 HB2 PRO 60 67.987 -6.469 12.972 402 2HB PRO 60 HB1 PRO 60 66.670 -7.531 12.430 403 1HG PRO 60 HG2 PRO 60 69.463 -7.307 11.409 404 2HG PRO 60 HG1 PRO 60 68.469 -8.750 11.670 405 1HD PRO 60 HD2 PRO 60 68.853 -7.654 9.215 406 2HD PRO 60 HD1 PRO 60 67.363 -8.514 9.665 407 H GLY 61 HN GLY 61 68.785 -4.955 9.559 408 1HA GLY 61 HA2 GLY 61 69.036 -2.286 10.739 409 2HA GLY 61 HA1 GLY 61 70.472 -3.307 10.894 410 H CYS 62 HN CYS 62 68.228 -3.483 8.186 411 HA CYS 62 HA CYS 62 70.355 -3.255 6.239 412 1HB CYS 62 HB2 CYS 62 68.446 -4.568 5.709 413 2HB CYS 62 HB1 CYS 62 67.332 -3.313 6.236 414 H LYS 63 HN LYS 63 71.019 -1.437 5.106 415 HA LYS 63 HA LYS 63 69.451 1.090 5.413 416 1HB LYS 63 HB2 LYS 63 72.407 0.615 5.895 417 2HB LYS 63 HB1 LYS 63 71.680 2.218 5.785 418 1HG LYS 63 HG2 LYS 63 70.015 0.945 7.575 419 2HG LYS 63 HG1 LYS 63 71.594 0.276 7.988 420 1HD LYS 63 HD2 LYS 63 71.872 2.173 9.199 421 2HD LYS 63 HD1 LYS 63 72.179 2.942 7.641 422 1HE LYS 63 HE2 LYS 63 69.578 3.205 7.524 423 2HE LYS 63 HE1 LYS 63 69.647 2.953 9.279 424 1HZ LYS 63 HZ1 LYS 63 70.530 5.207 7.729 425 2HZ LYS 63 HZ2 LYS 63 71.726 4.634 8.791 426 3HZ LYS 63 HZ3 LYS 63 70.207 5.101 9.391 427 H ILE 64 HN ILE 64 68.987 1.745 3.355 428 HA ILE 64 HA ILE 64 70.866 1.001 1.157 429 HB ILE 64 HB ILE 64 68.277 0.497 1.373 430 1HG1 ILE 64 HG12 ILE 64 68.960 1.632 -1.290 431 2HG1 ILE 64 HG11 ILE 64 70.034 0.384 -0.657 432 1HG2 ILE 64 HG21 ILE 64 66.844 2.182 0.438 433 2HG2 ILE 64 HG22 ILE 64 68.216 3.218 0.048 434 3HG2 ILE 64 HG23 ILE 64 67.762 2.954 1.731 435 1HD1 ILE 64 HD1 ILE 64 68.474 -0.982 -1.659 436 2HD1 ILE 64 HD1 ILE 64 67.171 0.192 -1.465 437 3HD1 ILE 64 HD1 ILE 64 67.689 -0.784 -0.090 438 H SER 65 HN SER 65 70.982 2.730 -0.633 439 HA SER 65 HA SER 65 70.806 5.509 0.430 440 1HB SER 65 HB2 SER 65 73.029 5.175 0.936 441 2HB SER 65 HB1 SER 65 73.220 3.907 -0.271 442 HG SER 65 HG SER 65 74.266 5.615 -1.124 443 H THR 66 HN THR 66 69.001 5.406 -1.186 444 HA THR 66 HA THR 66 68.102 5.879 -3.314 445 HB THR 66 HB THR 66 69.279 7.605 -4.435 446 HG1 THR 66 HG1 THR 66 71.707 6.971 -3.204 447 1HG2 THR 66 HG21 THR 66 69.345 9.008 -2.676 448 2HG2 THR 66 HG22 THR 66 70.737 8.176 -1.983 449 3HG2 THR 66 HG23 THR 66 69.106 7.596 -1.647 450 H CYS 67 HN CYS 67 67.784 3.969 -4.416 451 HA CYS 67 HA CYS 67 70.091 2.934 -6.033 452 1HB CYS 67 HB2 CYS 67 67.800 1.458 -4.691 453 2HB CYS 67 HB1 CYS 67 69.036 0.700 -5.694 454 H ILE 68 HN ILE 68 68.231 1.020 -7.342 455 HA ILE 68 HA ILE 68 66.548 2.933 -8.925 456 HB ILE 68 HB ILE 68 68.401 0.726 -9.882 457 1HG1 ILE 68 HG12 ILE 68 69.505 2.840 -9.156 458 2HG1 ILE 68 HG11 ILE 68 69.665 2.569 -10.892 459 1HG2 ILE 68 HG21 ILE 68 66.648 0.689 -11.440 460 2HG2 ILE 68 HG22 ILE 68 67.759 1.859 -12.151 461 3HG2 ILE 68 HG23 ILE 68 66.335 2.416 -11.272 462 1HD1 ILE 68 HD1 ILE 68 68.204 4.684 -9.446 463 2HD1 ILE 68 HD1 ILE 68 67.306 3.958 -10.779 464 3HD1 ILE 68 HD1 ILE 68 68.882 4.695 -11.074 465 H ILE 69 HN ILE 69 64.904 1.671 -10.295 466 HA ILE 69 HA ILE 69 63.244 0.024 -8.688 467 HB ILE 69 HB ILE 69 62.469 1.270 -10.630 468 1HG1 ILE 69 HG12 ILE 69 61.942 -1.243 -11.917 469 2HG1 ILE 69 HG11 ILE 69 61.918 -1.487 -10.170 470 1HG2 ILE 69 HG21 ILE 69 64.817 0.385 -11.804 471 2HG2 ILE 69 HG22 ILE 69 63.518 1.240 -12.633 472 3HG2 ILE 69 HG23 ILE 69 63.576 -0.521 -12.667 473 1HD1 ILE 69 HD1 ILE 69 60.433 0.580 -10.033 474 2HD1 ILE 69 HD1 ILE 69 59.696 -0.840 -10.772 475 3HD1 ILE 69 HD1 ILE 69 60.283 0.477 -11.787 476 H THR 70 HN THR 70 63.205 -2.193 -8.340 477 HA THR 70 HA THR 70 64.851 -3.957 -10.088 478 HB THR 70 HB THR 70 66.417 -3.353 -8.406 479 HG1 THR 70 HG1 THR 70 66.081 -5.345 -6.895 480 1HG2 THR 70 HG21 THR 70 64.264 -3.834 -6.330 481 2HG2 THR 70 HG22 THR 70 64.708 -2.241 -6.944 482 3HG2 THR 70 HG23 THR 70 65.885 -3.200 -6.047 483 H GLY 71 HN GLY 71 62.791 -4.919 -10.715 484 1HA GLY 71 HA2 GLY 71 60.981 -6.003 -8.704 485 2HA GLY 71 HA1 GLY 71 60.918 -6.338 -10.436 486 H GLY 72 HN GLY 72 63.082 -7.002 -7.664 487 1HA GLY 72 HA2 GLY 72 64.114 -9.021 -7.018 488 2HA GLY 72 HA1 GLY 72 62.967 -9.865 -8.070 489 H VAL 73 HN VAL 73 65.487 -7.429 -8.668 490 HA VAL 73 HA VAL 73 66.376 -8.951 -11.053 491 HB VAL 73 HB VAL 73 67.370 -6.843 -11.650 492 1HG1 VAL 73 HG11 VAL 73 64.873 -6.173 -10.059 493 2HG1 VAL 73 HG12 VAL 73 64.846 -6.957 -11.641 494 3HG1 VAL 73 HG13 VAL 73 65.490 -5.323 -11.479 495 1HG2 VAL 73 HG21 VAL 73 67.035 -5.037 -9.632 496 2HG2 VAL 73 HG22 VAL 73 68.539 -5.917 -9.913 497 3HG2 VAL 73 HG23 VAL 73 67.389 -6.496 -8.706 498 HA PRO 74 HA PRO 74 70.109 -10.417 -9.253 499 1HB PRO 74 HB2 PRO 74 71.968 -9.891 -11.196 500 2HB PRO 74 HB1 PRO 74 70.764 -11.191 -11.329 501 1HG PRO 74 HG2 PRO 74 70.761 -8.469 -12.542 502 2HG PRO 74 HG1 PRO 74 70.242 -10.015 -13.235 503 1HD PRO 74 HD2 PRO 74 68.500 -8.167 -12.273 504 2HD PRO 74 HD1 PRO 74 68.169 -9.913 -12.252 505 H ALA 75 HN ALA 75 71.879 -9.668 -8.027 506 HA ALA 75 HA ALA 75 72.991 -7.998 -6.755 507 1HB ALA 75 HB1 ALA 75 73.506 -6.698 -9.410 508 2HB ALA 75 HB2 ALA 75 74.046 -8.358 -9.164 509 3HB ALA 75 HB3 ALA 75 74.642 -7.073 -8.115 510 HA PRO 76 HA PRO 76 69.498 -4.957 -7.317 511 1HB PRO 76 HB2 PRO 76 68.624 -5.099 -4.722 512 2HB PRO 76 HB1 PRO 76 68.036 -6.183 -5.998 513 1HG PRO 76 HG2 PRO 76 70.102 -6.676 -3.906 514 2HG PRO 76 HG1 PRO 76 68.829 -7.750 -4.507 515 1HD PRO 76 HD2 PRO 76 71.411 -7.965 -5.294 516 2HD PRO 76 HD1 PRO 76 70.047 -8.378 -6.357 517 H SER 77 HN SER 77 69.936 -2.780 -6.896 518 HA SER 77 HA SER 77 71.057 -0.900 -5.999 519 1HB SER 77 HB2 SER 77 70.416 -1.079 -3.817 520 2HB SER 77 HB1 SER 77 70.553 -2.834 -3.857 521 HG SER 77 HG SER 77 72.682 -2.679 -3.358 522 H ALA 78 HN ALA 78 72.442 -3.476 -7.218 523 HA ALA 78 HA ALA 78 75.075 -3.736 -6.234 524 1HB ALA 78 HB1 ALA 78 75.540 -4.334 -8.666 525 2HB ALA 78 HB2 ALA 78 73.900 -3.803 -9.037 526 3HB ALA 78 HB3 ALA 78 74.160 -5.178 -7.963 527 H ALA 79 HN ALA 79 73.508 -1.093 -7.793 528 HA ALA 79 HA ALA 79 76.014 0.271 -8.584 529 1HB ALA 79 HB1 ALA 79 74.162 0.404 -10.098 530 2HB ALA 79 HB2 ALA 79 74.223 1.977 -9.302 531 3HB ALA 79 HB3 ALA 79 73.036 0.773 -8.787 532 H CYS 80 HN CYS 80 73.112 1.191 -6.698 533 HA CYS 80 HA CYS 80 74.342 3.400 -5.361 534 1HB CYS 80 HB2 CYS 80 72.309 3.270 -3.976 535 2HB CYS 80 HB1 CYS 80 71.908 2.978 -5.669 536 H LYS 81 HN LYS 81 73.643 2.799 -2.618 537 HA LYS 81 HA LYS 81 75.802 0.827 -1.944 538 1HB LYS 81 HB2 LYS 81 74.954 3.229 -0.312 539 2HB LYS 81 HB1 LYS 81 76.455 2.313 -0.194 540 1HG LYS 81 HG2 LYS 81 75.612 3.997 -2.570 541 2HG LYS 81 HG1 LYS 81 76.821 4.454 -1.369 542 1HD LYS 81 HD2 LYS 81 78.406 3.085 -2.261 543 2HD LYS 81 HD1 LYS 81 77.246 1.799 -2.594 544 1HE LYS 81 HE2 LYS 81 76.962 2.484 -4.745 545 2HE LYS 81 HE1 LYS 81 76.821 4.187 -4.260 546 1HZ LYS 81 HZ1 LYS 81 79.134 4.406 -4.112 547 2HZ LYS 81 HZ2 LYS 81 78.894 3.543 -5.555 548 3HZ LYS 81 HZ3 LYS 81 79.395 2.731 -4.150 549 H ILE 82 HN ILE 82 75.208 -0.807 -0.571 550 HA ILE 82 HA ILE 82 72.713 -0.502 1.049 551 HB ILE 82 HB ILE 82 72.354 -1.652 -1.182 552 1HG1 ILE 82 HG12 ILE 82 71.265 -3.718 -0.110 553 2HG1 ILE 82 HG11 ILE 82 71.931 -3.142 1.420 554 1HG2 ILE 82 HG21 ILE 82 74.687 -2.750 -1.016 555 2HG2 ILE 82 HG22 ILE 82 73.367 -3.742 -1.636 556 3HG2 ILE 82 HG23 ILE 82 73.910 -3.937 0.031 557 1HD1 ILE 82 HD1 ILE 82 70.173 -1.469 -0.394 558 2HD1 ILE 82 HD1 ILE 82 70.716 -1.055 1.232 559 3HD1 ILE 82 HD1 ILE 82 69.575 -2.377 0.994 560 H SER 83 HN SER 83 72.677 -1.978 2.903 561 HA SER 83 HA SER 83 75.119 -3.555 3.467 562 1HB SER 83 HB2 SER 83 74.260 -1.076 4.986 563 2HB SER 83 HB1 SER 83 75.441 -2.228 5.602 564 HG SER 83 HG SER 83 76.391 -1.824 3.344 565 H GLY 84 HN GLY 84 74.414 -5.398 4.484 566 1HA GLY 84 HA2 GLY 84 73.020 -6.851 5.697 567 2HA GLY 84 HA1 GLY 84 72.687 -5.457 6.733 568 H CYS 85 HN CYS 85 71.908 -6.291 3.332 569 HA CYS 85 HA CYS 85 69.037 -5.731 3.994 570 1HB CYS 85 HB2 CYS 85 70.748 -4.774 1.681 571 2HB CYS 85 HB1 CYS 85 68.992 -4.607 1.724 572 H THR 86 HN THR 86 67.580 -7.126 3.031 573 HA THR 86 HA THR 86 68.704 -9.362 1.398 574 HB THR 86 HB THR 86 65.904 -9.326 2.434 575 HG1 THR 86 HG1 THR 86 66.964 -10.041 4.503 576 1HG2 THR 86 HG21 THR 86 67.949 -11.224 1.650 577 2HG2 THR 86 HG22 THR 86 66.222 -11.486 1.891 578 3HG2 THR 86 HG23 THR 86 67.330 -11.601 3.258 579 H PHE 87 HN PHE 87 67.197 -10.099 -0.437 580 HA PHE 87 HA PHE 87 65.389 -7.995 -1.480 581 1HB PHE 87 HB2 PHE 87 67.576 -8.977 -3.291 582 2HB PHE 87 HB1 PHE 87 66.670 -7.469 -3.365 583 HD1 PHE 87 HD1 PHE 87 67.187 -5.614 -1.751 584 HD2 PHE 87 HD2 PHE 87 69.564 -9.188 -1.964 585 HE1 PHE 87 HE1 PHE 87 69.012 -4.476 -0.509 586 HE2 PHE 87 HE2 PHE 87 71.382 -8.051 -0.719 587 HZ PHE 87 HZ PHE 87 71.105 -5.698 0.007 588 H SER 88 HN SER 88 64.099 -8.771 -3.272 589 HA SER 88 HA SER 88 64.294 -11.350 -4.469 590 1HB SER 88 HB2 SER 88 63.838 -12.537 -2.560 591 2HB SER 88 HB1 SER 88 63.135 -11.139 -1.751 592 HG SER 88 HG SER 88 61.249 -11.460 -2.935 593 H ALA 89 HN ALA 89 62.900 -11.266 -6.216 594 HA ALA 89 HA ALA 89 61.393 -9.100 -7.002 595 1HB ALA 89 HB1 ALA 89 60.018 -11.574 -7.659 596 2HB ALA 89 HB2 ALA 89 61.766 -11.775 -7.772 597 3HB ALA 89 HB3 ALA 89 60.960 -10.514 -8.709 598 H ASN 90 HN ASN 90 59.428 -8.203 -6.464 599 HA ASN 90 HA ASN 90 57.811 -9.606 -4.367 600 1HB ASN 90 HB2 ASN 90 58.652 -7.680 -3.350 601 2HB ASN 90 HB1 ASN 90 58.680 -6.770 -4.865 602 1HD2 ASN 90 HD2 ASN 90 56.160 -8.426 -2.852 603 2HD2 ASN 90 HD2 ASN 90 55.042 -7.152 -2.948 Start of MODEL 7 1 1H ASP 1 HT1 ASP 1 47.692 12.904 3.394 2 2H ASP 1 HT2 ASP 1 47.820 11.745 4.630 3 3H ASP 1 HT3 ASP 1 46.769 13.068 4.809 4 HA ASP 1 HA ASP 1 45.429 12.242 2.927 5 1HB ASP 1 HB2 ASP 1 47.696 10.273 3.048 6 2HB ASP 1 HB1 ASP 1 46.130 9.741 2.435 7 H GLY 2 HN GLY 2 46.535 9.345 4.619 8 1HA GLY 2 HA2 GLY 2 44.341 9.654 6.603 9 2HA GLY 2 HA1 GLY 2 44.357 8.210 5.589 10 H SER 3 HN SER 3 45.573 9.611 8.445 11 HA SER 3 HA SER 3 46.882 8.622 10.157 12 1HB SER 3 HB2 SER 3 45.823 6.546 8.644 13 2HB SER 3 HB1 SER 3 47.549 6.201 8.642 14 HG SER 3 HG SER 3 46.822 6.974 11.092 15 H CYS 4 HN CYS 4 48.219 7.630 6.964 16 HA CYS 4 HA CYS 4 50.715 9.115 7.643 17 1HB CYS 4 HB2 CYS 4 50.278 6.237 7.660 18 2HB CYS 4 HB1 CYS 4 51.549 6.682 6.521 19 H THR 5 HN THR 5 52.207 8.066 5.456 20 HA THR 5 HA THR 5 50.822 9.415 3.200 21 HB THR 5 HB THR 5 53.174 9.944 4.051 22 HG1 THR 5 HG1 THR 5 54.003 9.778 1.767 23 1HG2 THR 5 HG21 THR 5 54.210 7.667 2.460 24 2HG2 THR 5 HG22 THR 5 53.521 7.255 4.030 25 3HG2 THR 5 HG23 THR 5 54.857 8.402 3.927 26 H ASN 6 HN ASN 6 49.535 7.067 3.491 27 HA ASN 6 HA ASN 6 50.531 5.467 1.192 28 1HB ASN 6 HB2 ASN 6 50.196 4.569 4.050 29 2HB ASN 6 HB1 ASN 6 50.047 3.411 2.728 30 1HD2 ASN 6 HD2 ASN 6 51.976 2.749 1.649 31 2HD2 ASN 6 HD2 ASN 6 53.522 3.292 2.096 32 H THR 7 HN THR 7 48.740 5.557 -0.121 33 HA THR 7 HA THR 7 46.020 5.387 1.091 34 HB THR 7 HB THR 7 45.439 5.935 -1.372 35 HG1 THR 7 HG1 THR 7 47.564 7.073 -2.132 36 1HG2 THR 7 HG21 THR 7 45.239 7.731 0.116 37 2HG2 THR 7 HG22 THR 7 46.414 8.333 -1.052 38 3HG2 THR 7 HG23 THR 7 46.960 7.721 0.508 39 H ASN 8 HN ASN 8 45.383 3.277 1.354 40 HA ASN 8 HA ASN 8 44.713 1.101 0.689 41 1HB ASN 8 HB2 ASN 8 44.824 2.579 -1.644 42 2HB ASN 8 HB1 ASN 8 45.927 1.246 -1.987 43 1HD2 ASN 8 HD2 ASN 8 45.021 -1.008 -1.651 44 2HD2 ASN 8 HD2 ASN 8 43.353 -1.254 -1.852 45 H SER 9 HN SER 9 47.796 2.311 0.927 46 HA SER 9 HA SER 9 49.094 -0.358 0.505 47 1HB SER 9 HB2 SER 9 51.164 1.270 0.658 48 2HB SER 9 HB1 SER 9 50.211 1.219 -0.821 49 HG SER 9 HG SER 9 49.177 3.069 -0.208 50 H GLN 10 HN GLN 10 51.179 -0.363 2.141 51 HA GLN 10 HA GLN 10 50.313 0.611 4.826 52 1HB GLN 10 HB2 GLN 10 49.533 -1.783 4.156 53 2HB GLN 10 HB1 GLN 10 51.223 -2.231 4.392 54 1HG GLN 10 HG2 GLN 10 51.051 -1.096 6.681 55 2HG GLN 10 HG1 GLN 10 49.307 -1.076 6.424 56 1HE2 GLN 10 HE21 GLN 10 51.237 -2.746 8.264 57 2HE2 GLN 10 HE22 GLN 10 50.688 -4.337 8.037 58 H LEU 11 HN LEU 11 52.125 1.982 5.045 59 HA LEU 11 HA LEU 11 54.847 0.923 4.523 60 1HB LEU 11 HB2 LEU 11 54.006 3.274 3.963 61 2HB LEU 11 HB1 LEU 11 53.983 3.581 5.701 62 HG LEU 11 HG LEU 11 56.470 2.580 5.502 63 1HD1 LEU 11 HD1 LEU 11 55.727 3.632 2.779 64 2HD1 LEU 11 HD1 LEU 11 56.641 2.182 3.194 65 3HD1 LEU 11 HD1 LEU 11 57.384 3.772 3.364 66 1HD2 LEU 11 HD2 LEU 11 56.878 4.652 6.275 67 2HD2 LEU 11 HD2 LEU 11 55.268 5.148 5.751 68 3HD2 LEU 11 HD2 LEU 11 56.643 5.322 4.660 69 H SER 12 HN SER 12 53.019 -0.076 6.766 70 HA SER 12 HA SER 12 53.251 -0.645 9.045 71 1HB SER 12 HB2 SER 12 55.248 -1.708 8.619 72 2HB SER 12 HB1 SER 12 55.971 -0.298 7.856 73 HG SER 12 HG SER 12 56.977 -0.297 9.748 74 H ALA 13 HN ALA 13 52.084 1.143 9.921 75 HA ALA 13 HA ALA 13 52.620 3.803 10.162 76 1HB ALA 13 HB1 ALA 13 50.693 3.055 11.229 77 2HB ALA 13 HB2 ALA 13 51.718 3.406 12.621 78 3HB ALA 13 HB3 ALA 13 51.540 1.745 12.054 79 H ASN 14 HN ASN 14 54.446 1.262 11.803 80 HA ASN 14 HA ASN 14 55.854 3.164 13.541 81 1HB ASN 14 HB2 ASN 14 57.130 1.067 14.120 82 2HB ASN 14 HB1 ASN 14 55.383 0.914 14.308 83 1HD2 ASN 14 HD2 ASN 14 54.316 -0.658 13.036 84 2HD2 ASN 14 HD2 ASN 14 55.094 -1.610 11.865 85 H SER 15 HN SER 15 56.048 2.917 10.320 86 HA SER 15 HA SER 15 59.020 2.800 10.191 87 1HB SER 15 HB2 SER 15 57.141 3.141 7.859 88 2HB SER 15 HB1 SER 15 58.720 2.357 7.889 89 HG SER 15 HG SER 15 57.566 0.617 8.116 90 H LYS 16 HN LYS 16 58.992 4.526 7.751 91 HA LYS 16 HA LYS 16 58.653 7.155 9.159 92 1HB LYS 16 HB2 LYS 16 60.921 6.059 8.265 93 2HB LYS 16 HB1 LYS 16 60.379 6.777 6.747 94 1HG LYS 16 HG2 LYS 16 61.743 8.417 7.866 95 2HG LYS 16 HG1 LYS 16 60.067 8.950 7.998 96 1HD LYS 16 HD2 LYS 16 60.268 7.411 10.231 97 2HD LYS 16 HD1 LYS 16 61.920 8.020 10.111 98 1HE LYS 16 HE2 LYS 16 59.620 9.936 9.779 99 2HE LYS 16 HE1 LYS 16 60.143 9.457 11.407 100 1HZ LYS 16 HZ1 LYS 16 61.507 11.079 9.450 101 2HZ LYS 16 HZ2 LYS 16 62.483 9.855 10.111 102 3HZ LYS 16 HZ3 LYS 16 61.734 10.991 11.129 103 H CYS 17 HN CYS 17 56.563 7.725 8.450 104 HA CYS 17 HA CYS 17 55.674 7.285 5.725 105 1HB CYS 17 HB2 CYS 17 54.665 9.082 7.958 106 2HB CYS 17 HB1 CYS 17 53.751 8.655 6.511 107 H GLU 18 HN GLU 18 58.030 8.475 5.293 108 HA GLU 18 HA GLU 18 57.367 11.320 4.604 109 1HB GLU 18 HB2 GLU 18 59.550 10.041 6.058 110 2HB GLU 18 HB1 GLU 18 60.152 10.996 4.703 111 1HG GLU 18 HG2 GLU 18 58.987 12.966 5.496 112 2HG GLU 18 HG1 GLU 18 58.181 12.032 6.757 113 H LYS 19 HN LYS 19 56.552 10.313 2.522 114 HA LYS 19 HA LYS 19 58.624 10.314 0.480 115 1HB LYS 19 HB2 LYS 19 58.485 7.940 -0.072 116 2HB LYS 19 HB1 LYS 19 58.920 8.108 1.627 117 1HG LYS 19 HG2 LYS 19 56.720 7.579 2.356 118 2HG LYS 19 HG1 LYS 19 56.049 7.805 0.741 119 1HD LYS 19 HD2 LYS 19 58.195 5.765 1.008 120 2HD LYS 19 HD1 LYS 19 56.638 5.371 1.736 121 1HE LYS 19 HE2 LYS 19 55.599 5.169 -0.294 122 2HE LYS 19 HE1 LYS 19 56.481 6.545 -0.985 123 1HZ LYS 19 HZ1 LYS 19 57.648 4.941 -2.021 124 2HZ LYS 19 HZ2 LYS 19 57.208 3.736 -0.908 125 3HZ LYS 19 HZ3 LYS 19 58.467 4.817 -0.542 126 H SER 20 HN SER 20 57.029 8.413 -1.201 127 HA SER 20 HA SER 20 54.773 10.272 -1.839 128 1HB SER 20 HB2 SER 20 56.864 9.104 -3.327 129 2HB SER 20 HB1 SER 20 55.404 8.265 -3.838 130 HG SER 20 HG SER 20 54.746 10.033 -4.771 131 H THR 21 HN THR 21 53.561 8.207 -3.583 132 HA THR 21 HA THR 21 52.812 5.951 -1.871 133 HB THR 21 HB THR 21 51.117 8.425 -2.204 134 HG1 THR 21 HG1 THR 21 52.239 8.303 -0.311 135 1HG2 THR 21 HG21 THR 21 49.598 6.736 -2.907 136 2HG2 THR 21 HG22 THR 21 49.254 6.989 -1.196 137 3HG2 THR 21 HG23 THR 21 50.198 5.590 -1.708 138 H LEU 22 HN LEU 22 51.544 4.407 -3.055 139 HA LEU 22 HA LEU 22 50.543 5.094 -5.740 140 1HB LEU 22 HB2 LEU 22 53.210 4.279 -5.328 141 2HB LEU 22 HB1 LEU 22 52.380 2.865 -5.978 142 HG LEU 22 HG LEU 22 51.564 5.289 -7.360 143 1HD1 LEU 22 HD1 LEU 22 54.149 4.896 -8.428 144 2HD1 LEU 22 HD1 LEU 22 54.365 5.068 -6.686 145 3HD1 LEU 22 HD1 LEU 22 53.545 6.333 -7.602 146 1HD2 LEU 22 HD2 LEU 22 51.722 2.606 -7.872 147 2HD2 LEU 22 HD2 LEU 22 53.130 3.202 -8.751 148 3HD2 LEU 22 HD2 LEU 22 51.527 3.838 -9.119 149 H THR 23 HN THR 23 49.722 3.776 -3.072 150 HA THR 23 HA THR 23 48.399 1.943 -2.370 151 HB THR 23 HB THR 23 46.638 1.501 -3.925 152 HG1 THR 23 HG1 THR 23 47.230 0.988 -5.857 153 1HG2 THR 23 HG21 THR 23 45.988 3.650 -3.905 154 2HG2 THR 23 HG22 THR 23 47.103 4.025 -5.219 155 3HG2 THR 23 HG23 THR 23 47.648 4.122 -3.544 156 H ASN 24 HN ASN 24 51.128 1.212 -3.120 157 HA ASN 24 HA ASN 24 50.666 -1.657 -3.626 158 1HB ASN 24 HB2 ASN 24 51.312 0.205 -5.697 159 2HB ASN 24 HB1 ASN 24 52.721 -0.824 -5.437 160 1HD2 ASN 24 HD2 ASN 24 50.070 -0.685 -7.354 161 2HD2 ASN 24 HD2 ASN 24 49.747 -2.340 -7.550 162 H CYS 25 HN CYS 25 51.632 -0.623 -1.276 163 HA CYS 25 HA CYS 25 54.472 -1.532 -1.308 164 1HB CYS 25 HB2 CYS 25 53.951 0.933 0.257 165 2HB CYS 25 HB1 CYS 25 55.365 0.483 -0.683 166 H TYR 26 HN TYR 26 54.222 -3.191 0.141 167 HA TYR 26 HA TYR 26 52.727 -2.642 2.677 168 1HB TYR 26 HB2 TYR 26 53.685 -5.299 1.579 169 2HB TYR 26 HB1 TYR 26 52.421 -5.017 2.776 170 HD1 TYR 26 HD1 TYR 26 50.777 -2.927 1.685 171 HD2 TYR 26 HD2 TYR 26 52.719 -6.163 -0.365 172 HE1 TYR 26 HE1 TYR 26 49.087 -2.793 -0.125 173 HE2 TYR 26 HE2 TYR 26 51.029 -6.029 -2.176 174 HH TYR 26 HH TYR 26 49.304 -3.667 -2.908 175 H VAL 27 HN VAL 27 54.532 -1.492 3.650 176 HA VAL 27 HA VAL 27 57.097 -2.943 3.900 177 HB VAL 27 HB VAL 27 56.250 -0.246 4.998 178 1HG1 VAL 27 HG11 VAL 27 58.332 -0.460 5.855 179 2HG1 VAL 27 HG12 VAL 27 58.872 -0.077 4.214 180 3HG1 VAL 27 HG13 VAL 27 58.768 -1.758 4.746 181 1HG2 VAL 27 HG21 VAL 27 57.558 0.409 2.752 182 2HG2 VAL 27 HG22 VAL 27 55.814 0.142 2.766 183 3HG2 VAL 27 HG23 VAL 27 56.898 -1.140 2.222 184 H ASP 28 HN ASP 28 58.129 -2.887 6.137 185 HA ASP 28 HA ASP 28 56.247 -3.115 8.417 186 1HB ASP 28 HB2 ASP 28 56.539 -5.303 7.039 187 2HB ASP 28 HB1 ASP 28 58.151 -5.356 7.755 188 H LYS 29 HN LYS 29 57.264 -2.132 10.158 189 HA LYS 29 HA LYS 29 59.034 -1.076 11.357 190 1HB LYS 29 HB2 LYS 29 60.332 -3.732 10.685 191 2HB LYS 29 HB1 LYS 29 60.589 -2.757 12.132 192 1HG LYS 29 HG2 LYS 29 57.766 -3.363 11.730 193 2HG LYS 29 HG1 LYS 29 58.740 -4.829 11.856 194 1HD LYS 29 HD2 LYS 29 59.500 -4.297 14.005 195 2HD LYS 29 HD1 LYS 29 59.158 -2.578 13.805 196 1HE LYS 29 HE2 LYS 29 57.154 -2.902 14.808 197 2HE LYS 29 HE1 LYS 29 56.689 -3.975 13.473 198 1HZ LYS 29 HZ1 LYS 29 58.493 -4.902 15.619 199 2HZ LYS 29 HZ2 LYS 29 57.559 -5.827 14.543 200 3HZ LYS 29 HZ3 LYS 29 56.811 -4.979 15.812 201 H SER 30 HN SER 30 59.163 0.025 8.901 202 HA SER 30 HA SER 30 62.038 -0.239 8.061 203 1HB SER 30 HB2 SER 30 59.628 0.615 6.445 204 2HB SER 30 HB1 SER 30 61.236 0.269 5.821 205 HG SER 30 HG SER 30 59.378 -1.522 7.000 206 H GLU 31 HN GLU 31 62.666 1.863 6.812 207 HA GLU 31 HA GLU 31 61.417 4.294 7.990 208 1HB GLU 31 HB2 GLU 31 64.390 3.676 8.081 209 2HB GLU 31 HB1 GLU 31 63.575 5.056 8.816 210 1HG GLU 31 HG2 GLU 31 62.200 3.324 10.134 211 2HG GLU 31 HG1 GLU 31 63.411 2.150 9.617 212 H VAL 32 HN VAL 32 60.767 5.051 5.922 213 HA VAL 32 HA VAL 32 62.895 5.169 3.820 214 HB VAL 32 HB VAL 32 61.001 5.349 2.282 215 1HG1 VAL 32 HG11 VAL 32 59.681 3.232 3.207 216 2HG1 VAL 32 HG12 VAL 32 60.993 3.207 4.388 217 3HG1 VAL 32 HG13 VAL 32 61.354 3.085 2.663 218 1HG2 VAL 32 HG21 VAL 32 58.753 4.931 3.894 219 2HG2 VAL 32 HG22 VAL 32 59.175 6.425 3.054 220 3HG2 VAL 32 HG23 VAL 32 59.671 6.184 4.729 221 H TYR 33 HN TYR 33 63.245 7.150 2.704 222 HA TYR 33 HA TYR 33 62.120 9.620 3.976 223 1HB TYR 33 HB2 TYR 33 64.458 8.863 4.744 224 2HB TYR 33 HB1 TYR 33 64.999 9.257 3.108 225 HD1 TYR 33 HD1 TYR 33 65.051 11.554 2.309 226 HD2 TYR 33 HD2 TYR 33 63.678 10.623 6.271 227 HE1 TYR 33 HE1 TYR 33 65.202 13.951 2.924 228 HE2 TYR 33 HE2 TYR 33 63.827 13.021 6.885 229 HH TYR 33 HH TYR 33 63.758 15.381 5.100 230 H GLY 34 HN GLY 34 60.753 9.753 2.014 231 1HA GLY 34 HA2 GLY 34 60.365 10.858 -0.040 232 2HA GLY 34 HA1 GLY 34 62.095 11.200 -0.138 233 H THR 35 HN THR 35 60.440 8.064 0.190 234 HA THR 35 HA THR 35 61.926 7.141 -2.232 235 HB THR 35 HB THR 35 60.776 5.871 0.249 236 HG1 THR 35 HG1 THR 35 62.980 6.682 0.023 237 1HG2 THR 35 HG21 THR 35 59.986 4.413 -1.508 238 2HG2 THR 35 HG22 THR 35 61.397 3.653 -0.773 239 3HG2 THR 35 HG23 THR 35 61.546 4.474 -2.325 240 H THR 36 HN THR 36 60.699 5.553 -3.621 241 HA THR 36 HA THR 36 57.760 6.149 -3.703 242 HB THR 36 HB THR 36 58.592 7.464 -5.453 243 HG1 THR 36 HG1 THR 36 57.603 6.489 -7.014 244 1HG2 THR 36 HG21 THR 36 60.424 6.265 -7.006 245 2HG2 THR 36 HG22 THR 36 60.769 5.427 -5.494 246 3HG2 THR 36 HG23 THR 36 60.874 7.186 -5.571 247 H CYS 37 HN CYS 37 56.519 4.307 -3.945 248 HA CYS 37 HA CYS 37 57.969 1.776 -4.640 249 1HB CYS 37 HB2 CYS 37 56.182 0.755 -3.106 250 2HB CYS 37 HB1 CYS 37 57.419 1.737 -2.325 251 H THR 38 HN THR 38 57.329 2.114 -6.897 252 HA THR 38 HA THR 38 54.454 2.168 -7.547 253 HB THR 38 HB THR 38 55.264 2.464 -9.788 254 HG1 THR 38 HG1 THR 38 56.792 1.087 -10.239 255 1HG2 THR 38 HG21 THR 38 56.039 4.514 -9.296 256 2HG2 THR 38 HG22 THR 38 57.580 3.834 -8.772 257 3HG2 THR 38 HG23 THR 38 56.253 4.001 -7.623 258 H GLY 39 HN GLY 39 56.362 -0.211 -6.409 259 1HA GLY 39 HA2 GLY 39 54.762 -2.386 -6.929 260 2HA GLY 39 HA1 GLY 39 55.806 -2.321 -8.351 261 H SER 40 HN SER 40 55.922 -2.444 -4.790 262 HA SER 40 HA SER 40 58.166 -4.348 -4.932 263 1HB SER 40 HB2 SER 40 59.814 -2.922 -4.151 264 2HB SER 40 HB1 SER 40 58.848 -1.765 -5.057 265 HG SER 40 HG SER 40 58.907 -0.825 -3.137 266 H ARG 41 HN ARG 41 58.931 -4.687 -2.490 267 HA ARG 41 HA ARG 41 56.665 -4.353 -0.591 268 1HB ARG 41 HB2 ARG 41 56.161 -6.451 -1.598 269 2HB ARG 41 HB1 ARG 41 57.858 -6.930 -1.628 270 1HG ARG 41 HG2 ARG 41 56.412 -7.997 0.200 271 2HG ARG 41 HG1 ARG 41 57.920 -7.252 0.730 272 1HD ARG 41 HD2 ARG 41 56.835 -5.607 1.909 273 2HD ARG 41 HD1 ARG 41 55.575 -5.433 0.670 274 HE ARG 41 HE ARG 41 54.483 -7.444 1.584 275 1HH1 ARG 41 HH2 ARG 41 54.749 -5.525 3.909 276 2HH1 ARG 41 HH2 ARG 41 55.366 -6.565 5.150 277 1HH2 ARG 41 HH1 ARG 41 56.302 -9.076 2.949 278 2HH2 ARG 41 HH1 ARG 41 56.240 -8.577 4.606 279 H PHE 42 HN PHE 42 57.641 -3.480 1.192 280 HA PHE 42 HA PHE 42 60.512 -4.141 1.748 281 1HB PHE 42 HB2 PHE 42 58.523 -2.021 2.579 282 2HB PHE 42 HB1 PHE 42 60.019 -2.246 3.480 283 HD1 PHE 42 HD1 PHE 42 60.996 -0.129 2.933 284 HD2 PHE 42 HD2 PHE 42 59.744 -2.812 -0.183 285 HE1 PHE 42 HE1 PHE 42 62.224 1.232 1.257 286 HE2 PHE 42 HE2 PHE 42 60.970 -1.451 -1.863 287 HZ PHE 42 HZ PHE 42 62.212 0.572 -1.133 288 H ASP 43 HN ASP 43 61.108 -4.987 3.832 289 HA ASP 43 HA ASP 43 58.915 -5.773 5.693 290 1HB ASP 43 HB2 ASP 43 60.116 -7.466 3.759 291 2HB ASP 43 HB1 ASP 43 60.772 -7.954 5.320 292 H GLY 44 HN GLY 44 60.246 -3.917 6.735 293 1HA GLY 44 HA2 GLY 44 61.553 -3.544 8.710 294 2HA GLY 44 HA1 GLY 44 62.284 -5.140 8.497 295 H VAL 45 HN VAL 45 62.169 -1.913 6.970 296 HA VAL 45 HA VAL 45 65.066 -2.224 6.316 297 HB VAL 45 HB VAL 45 62.689 -1.951 4.506 298 1HG1 VAL 45 HG11 VAL 45 65.148 -0.398 4.263 299 2HG1 VAL 45 HG12 VAL 45 63.645 -0.279 3.343 300 3HG1 VAL 45 HG13 VAL 45 64.881 -1.447 2.871 301 1HG2 VAL 45 HG21 VAL 45 65.317 -3.379 4.067 302 2HG2 VAL 45 HG22 VAL 45 63.768 -3.685 3.282 303 3HG2 VAL 45 HG23 VAL 45 63.995 -4.106 4.980 304 H THR 46 HN THR 46 66.177 -0.276 6.480 305 HA THR 46 HA THR 46 64.536 2.185 6.974 306 HB THR 46 HB THR 46 67.261 1.278 7.944 307 HG1 THR 46 HG1 THR 46 66.254 1.313 9.910 308 1HG2 THR 46 HG21 THR 46 66.215 3.950 7.530 309 2HG2 THR 46 HG22 THR 46 67.829 3.453 8.043 310 3HG2 THR 46 HG23 THR 46 66.546 3.657 9.237 311 H ILE 47 HN ILE 47 64.449 2.793 4.748 312 HA ILE 47 HA ILE 47 67.081 3.333 3.429 313 HB ILE 47 HB ILE 47 65.658 3.244 1.358 314 1HG1 ILE 47 HG12 ILE 47 63.373 1.970 2.525 315 2HG1 ILE 47 HG11 ILE 47 63.594 3.536 3.303 316 1HG2 ILE 47 HG21 ILE 47 66.404 1.116 1.505 317 2HG2 ILE 47 HG22 ILE 47 64.809 0.729 2.148 318 3HG2 ILE 47 HG23 ILE 47 66.146 1.064 3.249 319 1HD1 ILE 47 HD1 ILE 47 64.049 3.816 0.477 320 2HD1 ILE 47 HD1 ILE 47 62.825 4.597 1.477 321 3HD1 ILE 47 HD1 ILE 47 62.492 3.028 0.740 322 H THR 48 HN THR 48 66.944 5.314 1.910 323 HA THR 48 HA THR 48 65.384 7.475 3.281 324 HB THR 48 HB THR 48 67.881 7.477 3.547 325 HG1 THR 48 HG1 THR 48 67.495 9.520 3.656 326 1HG2 THR 48 HG21 THR 48 68.533 8.476 0.944 327 2HG2 THR 48 HG22 THR 48 67.747 6.910 0.764 328 3HG2 THR 48 HG23 THR 48 69.190 7.061 1.768 329 H THR 49 HN THR 49 66.333 9.313 1.084 330 HA THR 49 HA THR 49 64.079 9.075 -0.676 331 HB THR 49 HB THR 49 66.713 10.572 -0.844 332 HG1 THR 49 HG1 THR 49 65.731 11.754 0.565 333 1HG2 THR 49 HG21 THR 49 65.415 10.166 -3.047 334 2HG2 THR 49 HG22 THR 49 65.847 11.827 -2.642 335 3HG2 THR 49 HG23 THR 49 64.203 11.251 -2.365 336 H SER 50 HN SER 50 64.354 6.755 -1.351 337 HA SER 50 HA SER 50 66.185 6.582 -3.718 338 1HB SER 50 HB2 SER 50 67.165 4.641 -2.906 339 2HB SER 50 HB1 SER 50 66.842 5.467 -1.384 340 HG SER 50 HG SER 50 64.769 4.315 -1.446 341 H THR 51 HN THR 51 65.364 5.229 -5.408 342 HA THR 51 HA THR 51 62.485 4.472 -5.085 343 HB THR 51 HB THR 51 63.025 6.279 -6.693 344 HG1 THR 51 HG1 THR 51 61.758 5.452 -8.230 345 1HG2 THR 51 HG21 THR 51 64.210 5.042 -8.833 346 2HG2 THR 51 HG22 THR 51 65.056 4.303 -7.474 347 3HG2 THR 51 HG23 THR 51 65.058 6.055 -7.667 348 H SER 52 HN SER 52 63.725 2.455 -4.090 349 HA SER 52 HA SER 52 64.606 0.588 -6.248 350 1HB SER 52 HB2 SER 52 65.369 1.175 -3.547 351 2HB SER 52 HB1 SER 52 64.822 -0.497 -3.611 352 HG SER 52 HG SER 52 67.143 0.258 -4.254 353 H THR 53 HN THR 53 62.503 0.037 -7.058 354 HA THR 53 HA THR 53 60.778 -1.504 -5.137 355 HB THR 53 HB THR 53 58.896 -0.662 -6.486 356 HG1 THR 53 HG1 THR 53 60.975 0.488 -8.022 357 1HG2 THR 53 HG21 THR 53 60.889 1.486 -5.725 358 2HG2 THR 53 HG22 THR 53 59.649 0.787 -4.683 359 3HG2 THR 53 HG23 THR 53 59.184 1.780 -6.065 360 H GLY 54 HN GLY 54 60.133 -3.571 -5.868 361 1HA GLY 54 HA2 GLY 54 59.658 -4.720 -8.212 362 2HA GLY 54 HA1 GLY 54 61.399 -4.505 -8.387 363 H SER 55 HN SER 55 61.932 -4.987 -5.531 364 HA SER 55 HA SER 55 61.381 -7.933 -5.451 365 1HB SER 55 HB2 SER 55 63.767 -7.023 -4.051 366 2HB SER 55 HB1 SER 55 63.619 -8.237 -5.317 367 HG SER 55 HG SER 55 64.880 -6.351 -5.888 368 H ARG 56 HN ARG 56 61.344 -8.847 -3.252 369 HA ARG 56 HA ARG 56 60.102 -6.994 -1.302 370 1HB ARG 56 HB2 ARG 56 58.926 -9.029 -1.645 371 2HB ARG 56 HB1 ARG 56 60.411 -9.981 -1.634 372 1HG ARG 56 HG2 ARG 56 60.046 -8.472 0.842 373 2HG ARG 56 HG1 ARG 56 58.717 -9.590 0.535 374 1HD ARG 56 HD2 ARG 56 60.959 -11.097 -0.123 375 2HD ARG 56 HD1 ARG 56 61.478 -10.183 1.308 376 HE ARG 56 HE ARG 56 59.643 -11.154 2.552 377 1HH1 ARG 56 HH2 ARG 56 60.743 -13.601 1.179 378 2HH1 ARG 56 HH2 ARG 56 59.305 -14.326 0.540 379 1HH2 ARG 56 HH1 ARG 56 57.389 -11.458 0.900 380 2HH2 ARG 56 HH1 ARG 56 57.405 -13.111 0.382 381 H ILE 57 HN ILE 57 61.637 -5.915 -0.053 382 HA ILE 57 HA ILE 57 64.094 -7.408 0.719 383 HB ILE 57 HB ILE 57 64.920 -5.105 1.144 384 1HG1 ILE 57 HG12 ILE 57 62.494 -4.012 -0.205 385 2HG1 ILE 57 HG11 ILE 57 62.420 -4.339 1.529 386 1HG2 ILE 57 HG21 ILE 57 65.189 -4.560 -1.154 387 2HG2 ILE 57 HG22 ILE 57 63.630 -5.262 -1.578 388 3HG2 ILE 57 HG23 ILE 57 64.974 -6.309 -1.128 389 1HD1 ILE 57 HD1 ILE 57 64.354 -2.520 0.074 390 2HD1 ILE 57 HD1 ILE 57 64.608 -3.046 1.739 391 3HD1 ILE 57 HD1 ILE 57 63.191 -2.077 1.326 392 H SER 58 HN SER 58 64.924 -7.133 2.869 393 HA SER 58 HA SER 58 63.039 -6.240 4.984 394 1HB SER 58 HB2 SER 58 62.467 -8.537 4.834 395 2HB SER 58 HB1 SER 58 64.127 -9.013 4.488 396 HG SER 58 HG SER 58 63.492 -9.464 6.655 397 H GLY 59 HN GLY 59 64.440 -6.841 7.216 398 1HA GLY 59 HA2 GLY 59 67.122 -7.006 7.451 399 2HA GLY 59 HA1 GLY 59 66.970 -5.373 6.806 400 HA PRO 60 HA PRO 60 65.513 -5.662 11.395 401 1HB PRO 60 HB2 PRO 60 67.632 -6.599 12.865 402 2HB PRO 60 HB1 PRO 60 66.331 -7.653 12.277 403 1HG PRO 60 HG2 PRO 60 69.061 -7.222 11.172 404 2HG PRO 60 HG1 PRO 60 68.123 -8.717 11.306 405 1HD PRO 60 HD2 PRO 60 68.381 -7.322 8.983 406 2HD PRO 60 HD1 PRO 60 66.959 -8.316 9.371 407 H GLY 61 HN GLY 61 68.198 -4.719 9.585 408 1HA GLY 61 HA2 GLY 61 68.380 -2.133 10.883 409 2HA GLY 61 HA1 GLY 61 69.830 -3.116 11.128 410 H CYS 62 HN CYS 62 67.738 -3.174 8.280 411 HA CYS 62 HA CYS 62 69.966 -2.972 6.450 412 1HB CYS 62 HB2 CYS 62 68.031 -4.198 5.817 413 2HB CYS 62 HB1 CYS 62 66.948 -2.896 6.303 414 H LYS 63 HN LYS 63 70.646 -1.176 5.221 415 HA LYS 63 HA LYS 63 69.205 1.410 5.587 416 1HB LYS 63 HB2 LYS 63 71.734 0.567 6.774 417 2HB LYS 63 HB1 LYS 63 71.917 2.038 5.815 418 1HG LYS 63 HG2 LYS 63 70.370 3.231 7.114 419 2HG LYS 63 HG1 LYS 63 69.626 1.761 7.746 420 1HD LYS 63 HD2 LYS 63 70.983 2.750 9.500 421 2HD LYS 63 HD1 LYS 63 71.765 1.266 8.956 422 1HE LYS 63 HE2 LYS 63 73.380 2.488 7.653 423 2HE LYS 63 HE1 LYS 63 72.494 4.009 7.877 424 1HZ LYS 63 HZ1 LYS 63 74.474 3.187 9.491 425 2HZ LYS 63 HZ2 LYS 63 73.118 2.581 10.317 426 3HZ LYS 63 HZ3 LYS 63 73.234 4.240 9.972 427 H ILE 64 HN ILE 64 68.883 2.142 3.525 428 HA ILE 64 HA ILE 64 70.904 1.462 1.428 429 HB ILE 64 HB ILE 64 68.258 1.024 1.475 430 1HG1 ILE 64 HG12 ILE 64 69.486 2.039 -1.083 431 2HG1 ILE 64 HG11 ILE 64 70.062 0.555 -0.322 432 1HG2 ILE 64 HG21 ILE 64 68.496 3.746 0.156 433 2HG2 ILE 64 HG22 ILE 64 67.718 3.449 1.707 434 3HG2 ILE 64 HG23 ILE 64 67.044 2.749 0.236 435 1HD1 ILE 64 HD1 ILE 64 67.171 1.095 -1.061 436 2HD1 ILE 64 HD1 ILE 64 67.824 -0.410 -0.413 437 3HD1 ILE 64 HD1 ILE 64 68.288 0.130 -2.027 438 H SER 65 HN SER 65 71.011 3.296 -0.324 439 HA SER 65 HA SER 65 70.815 6.022 0.851 440 1HB SER 65 HB2 SER 65 73.132 4.552 1.004 441 2HB SER 65 HB1 SER 65 73.368 5.426 -0.506 442 HG SER 65 HG SER 65 72.331 6.931 1.560 443 H THR 66 HN THR 66 69.142 6.183 -0.852 444 HA THR 66 HA THR 66 68.431 6.873 -2.995 445 HB THR 66 HB THR 66 71.136 7.378 -4.005 446 HG1 THR 66 HG1 THR 66 70.549 8.941 -1.798 447 1HG2 THR 66 HG21 THR 66 68.643 8.950 -3.392 448 2HG2 THR 66 HG22 THR 66 69.385 8.626 -4.959 449 3HG2 THR 66 HG23 THR 66 70.136 9.769 -3.845 450 H CYS 67 HN CYS 67 67.949 5.695 -4.826 451 HA CYS 67 HA CYS 67 69.898 3.979 -6.167 452 1HB CYS 67 HB2 CYS 67 69.329 2.724 -4.084 453 2HB CYS 67 HB1 CYS 67 67.632 2.748 -4.562 454 H ILE 68 HN ILE 68 68.748 2.738 -7.976 455 HA ILE 68 HA ILE 68 66.505 4.399 -9.023 456 HB ILE 68 HB ILE 68 68.048 2.274 -10.511 457 1HG1 ILE 68 HG12 ILE 68 68.952 5.127 -9.985 458 2HG1 ILE 68 HG11 ILE 68 69.713 3.678 -9.327 459 1HG2 ILE 68 HG21 ILE 68 66.488 4.755 -11.159 460 2HG2 ILE 68 HG22 ILE 68 66.386 3.153 -11.890 461 3HG2 ILE 68 HG23 ILE 68 67.745 4.210 -12.270 462 1HD1 ILE 68 HD1 ILE 68 70.976 4.365 -11.275 463 2HD1 ILE 68 HD1 ILE 68 69.509 4.458 -12.249 464 3HD1 ILE 68 HD1 ILE 68 70.096 2.892 -11.687 465 H ILE 69 HN ILE 69 65.012 2.911 -10.550 466 HA ILE 69 HA ILE 69 63.306 1.351 -9.013 467 HB ILE 69 HB ILE 69 62.655 0.344 -11.213 468 1HG1 ILE 69 HG12 ILE 69 64.584 1.928 -12.743 469 2HG1 ILE 69 HG11 ILE 69 65.354 0.661 -11.789 470 1HG2 ILE 69 HG21 ILE 69 61.634 2.296 -11.710 471 2HG2 ILE 69 HG22 ILE 69 63.168 3.078 -12.087 472 3HG2 ILE 69 HG23 ILE 69 62.595 3.020 -10.421 473 1HD1 ILE 69 HD1 ILE 69 63.289 0.394 -13.963 474 2HD1 ILE 69 HD1 ILE 69 63.457 -0.864 -12.738 475 3HD1 ILE 69 HD1 ILE 69 64.822 -0.460 -13.779 476 H THR 70 HN THR 70 62.990 -1.134 -9.267 477 HA THR 70 HA THR 70 65.643 -2.527 -9.245 478 HB THR 70 HB THR 70 63.480 -3.326 -7.344 479 HG1 THR 70 HG1 THR 70 65.074 -0.993 -7.161 480 1HG2 THR 70 HG21 THR 70 66.497 -3.072 -7.164 481 2HG2 THR 70 HG22 THR 70 65.599 -4.562 -7.453 482 3HG2 THR 70 HG23 THR 70 65.455 -3.732 -5.904 483 H GLY 71 HN GLY 71 63.923 -4.907 -8.276 484 1HA GLY 71 HA2 GLY 71 62.030 -6.106 -9.520 485 2HA GLY 71 HA1 GLY 71 62.929 -5.689 -10.984 486 H GLY 72 HN GLY 72 64.147 -6.782 -7.832 487 1HA GLY 72 HA2 GLY 72 64.995 -9.005 -7.353 488 2HA GLY 72 HA1 GLY 72 65.087 -9.311 -9.093 489 H VAL 73 HN VAL 73 66.421 -7.052 -6.670 490 HA VAL 73 HA VAL 73 68.851 -6.653 -8.304 491 HB VAL 73 HB VAL 73 67.776 -4.773 -7.204 492 1HG1 VAL 73 HG11 VAL 73 67.970 -6.574 -4.798 493 2HG1 VAL 73 HG12 VAL 73 66.570 -5.694 -5.410 494 3HG1 VAL 73 HG13 VAL 73 67.871 -4.825 -4.596 495 1HG2 VAL 73 HG21 VAL 73 70.396 -5.660 -5.983 496 2HG2 VAL 73 HG22 VAL 73 69.683 -4.088 -5.615 497 3HG2 VAL 73 HG23 VAL 73 70.137 -4.486 -7.273 498 HA PRO 74 HA PRO 74 71.264 -9.676 -6.183 499 1HB PRO 74 HB2 PRO 74 73.750 -8.603 -6.611 500 2HB PRO 74 HB1 PRO 74 72.819 -9.425 -7.880 501 1HG PRO 74 HG2 PRO 74 73.154 -6.511 -7.366 502 2HG PRO 74 HG1 PRO 74 73.124 -7.388 -8.903 503 1HD PRO 74 HD2 PRO 74 70.999 -5.993 -7.959 504 2HD PRO 74 HD1 PRO 74 70.830 -7.433 -8.986 505 H ALA 75 HN ALA 75 72.198 -9.939 -4.125 506 HA ALA 75 HA ALA 75 71.736 -8.113 -2.057 507 1HB ALA 75 HB1 ALA 75 73.902 -9.509 -1.172 508 2HB ALA 75 HB2 ALA 75 73.430 -10.495 -2.556 509 3HB ALA 75 HB3 ALA 75 72.277 -10.190 -1.257 510 HA PRO 76 HA PRO 76 76.235 -6.507 -2.429 511 1HB PRO 76 HB2 PRO 76 77.666 -7.243 -4.650 512 2HB PRO 76 HB1 PRO 76 77.682 -8.170 -3.136 513 1HG PRO 76 HG2 PRO 76 76.160 -8.671 -5.646 514 2HG PRO 76 HG1 PRO 76 76.962 -9.820 -4.563 515 1HD PRO 76 HD2 PRO 76 74.278 -9.406 -4.557 516 2HD PRO 76 HD1 PRO 76 75.187 -9.897 -3.111 517 H SER 77 HN SER 77 74.324 -4.977 -3.081 518 HA SER 77 HA SER 77 73.840 -4.145 -5.758 519 1HB SER 77 HB2 SER 77 73.541 -3.079 -2.997 520 2HB SER 77 HB1 SER 77 73.442 -1.901 -4.303 521 HG SER 77 HG SER 77 71.599 -3.622 -3.491 522 H ALA 78 HN ALA 78 76.234 -4.317 -6.478 523 HA ALA 78 HA ALA 78 78.228 -2.448 -5.690 524 1HB ALA 78 HB1 ALA 78 79.244 -3.764 -7.234 525 2HB ALA 78 HB2 ALA 78 78.354 -2.918 -8.500 526 3HB ALA 78 HB3 ALA 78 77.677 -4.374 -7.767 527 H ALA 79 HN ALA 79 75.254 -2.051 -7.365 528 HA ALA 79 HA ALA 79 75.935 0.439 -8.753 529 1HB ALA 79 HB1 ALA 79 73.715 -1.488 -8.437 530 2HB ALA 79 HB2 ALA 79 74.239 -0.606 -9.877 531 3HB ALA 79 HB3 ALA 79 73.198 0.182 -8.691 532 H CYS 80 HN CYS 80 73.164 -0.070 -6.594 533 HA CYS 80 HA CYS 80 73.309 2.641 -5.558 534 1HB CYS 80 HB2 CYS 80 71.733 0.197 -4.681 535 2HB CYS 80 HB1 CYS 80 71.366 1.865 -4.246 536 H LYS 81 HN LYS 81 72.883 2.562 -2.917 537 HA LYS 81 HA LYS 81 75.319 1.233 -1.777 538 1HB LYS 81 HB2 LYS 81 73.875 3.654 -0.694 539 2HB LYS 81 HB1 LYS 81 75.540 3.157 -0.392 540 1HG LYS 81 HG2 LYS 81 74.447 4.103 -3.061 541 2HG LYS 81 HG1 LYS 81 75.450 5.059 -1.971 542 1HD LYS 81 HD2 LYS 81 77.362 3.890 -2.476 543 2HD LYS 81 HD1 LYS 81 76.494 2.378 -2.739 544 1HE LYS 81 HE2 LYS 81 77.059 2.916 -4.940 545 2HE LYS 81 HE1 LYS 81 75.496 3.749 -4.819 546 1HZ LYS 81 HZ1 LYS 81 77.038 5.360 -5.565 547 2HZ LYS 81 HZ2 LYS 81 78.203 4.897 -4.418 548 3HZ LYS 81 HZ3 LYS 81 76.787 5.692 -3.921 549 H ILE 82 HN ILE 82 74.659 -0.537 -0.594 550 HA ILE 82 HA ILE 82 72.337 -0.179 1.256 551 HB ILE 82 HB ILE 82 71.707 -1.264 -0.935 552 1HG1 ILE 82 HG12 ILE 82 70.886 -3.467 0.359 553 2HG1 ILE 82 HG11 ILE 82 71.431 -2.530 1.749 554 1HG2 ILE 82 HG21 ILE 82 73.438 -3.533 0.088 555 2HG2 ILE 82 HG22 ILE 82 73.926 -2.428 -1.198 556 3HG2 ILE 82 HG23 ILE 82 72.534 -3.487 -1.425 557 1HD1 ILE 82 HD1 ILE 82 69.906 -0.777 1.318 558 2HD1 ILE 82 HD1 ILE 82 68.969 -2.236 0.991 559 3HD1 ILE 82 HD1 ILE 82 69.644 -1.303 -0.345 560 H SER 83 HN SER 83 72.520 -1.405 3.181 561 HA SER 83 HA SER 83 74.869 -3.210 3.473 562 1HB SER 83 HB2 SER 83 74.294 -0.655 4.979 563 2HB SER 83 HB1 SER 83 75.351 -1.899 5.638 564 HG SER 83 HG SER 83 76.831 -1.060 4.417 565 H GLY 84 HN GLY 84 73.861 -5.059 4.174 566 1HA GLY 84 HA2 GLY 84 72.732 -6.451 5.713 567 2HA GLY 84 HA1 GLY 84 72.398 -5.023 6.695 568 H CYS 85 HN CYS 85 71.503 -6.101 3.390 569 HA CYS 85 HA CYS 85 68.638 -5.670 4.142 570 1HB CYS 85 HB2 CYS 85 70.086 -4.636 1.683 571 2HB CYS 85 HB1 CYS 85 68.369 -4.420 2.025 572 H THR 86 HN THR 86 67.157 -6.911 2.830 573 HA THR 86 HA THR 86 68.449 -9.228 1.443 574 HB THR 86 HB THR 86 65.780 -9.816 1.790 575 HG1 THR 86 HG1 THR 86 66.392 -8.702 4.239 576 1HG2 THR 86 HG21 THR 86 67.903 -10.184 3.916 577 2HG2 THR 86 HG22 THR 86 67.835 -11.138 2.434 578 3HG2 THR 86 HG23 THR 86 66.514 -11.224 3.599 579 H PHE 87 HN PHE 87 67.441 -9.933 -0.605 580 HA PHE 87 HA PHE 87 65.684 -7.915 -1.917 581 1HB PHE 87 HB2 PHE 87 68.433 -8.830 -2.784 582 2HB PHE 87 HB1 PHE 87 67.300 -8.069 -3.899 583 HD1 PHE 87 HD1 PHE 87 66.043 -5.928 -2.630 584 HD2 PHE 87 HD2 PHE 87 70.034 -7.365 -1.955 585 HE1 PHE 87 HE1 PHE 87 66.704 -3.692 -1.776 586 HE2 PHE 87 HE2 PHE 87 70.694 -5.132 -1.101 587 HZ PHE 87 HZ PHE 87 69.029 -3.297 -1.014 588 H SER 88 HN SER 88 64.384 -8.800 -3.547 589 HA SER 88 HA SER 88 64.735 -11.283 -4.879 590 1HB SER 88 HB2 SER 88 62.788 -12.284 -3.211 591 2HB SER 88 HB1 SER 88 64.506 -12.642 -3.058 592 HG SER 88 HG SER 88 62.876 -11.179 -1.450 593 H ALA 89 HN ALA 89 63.447 -10.820 -6.624 594 HA ALA 89 HA ALA 89 61.574 -8.922 -7.077 595 1HB ALA 89 HB1 ALA 89 61.266 -10.141 -8.957 596 2HB ALA 89 HB2 ALA 89 60.602 -11.500 -8.050 597 3HB ALA 89 HB3 ALA 89 62.348 -11.332 -8.235 598 H ASN 90 HN ASN 90 59.701 -8.286 -6.116 599 HA ASN 90 HA ASN 90 58.372 -10.064 -4.168 600 1HB ASN 90 HB2 ASN 90 58.735 -7.822 -3.463 601 2HB ASN 90 HB1 ASN 90 58.186 -7.162 -5.005 602 1HD2 ASN 90 HD2 ASN 90 56.271 -6.053 -4.511 603 2HD2 ASN 90 HD2 ASN 90 54.977 -6.711 -3.632 Start of MODEL 8 1 1H ASP 1 HT1 ASP 1 44.483 10.849 1.583 2 2H ASP 1 HT2 ASP 1 45.125 9.282 1.708 3 3H ASP 1 HT3 ASP 1 45.878 10.434 0.713 4 HA ASP 1 HA ASP 1 47.237 10.463 2.580 5 1HB ASP 1 HB2 ASP 1 46.601 12.686 1.967 6 2HB ASP 1 HB1 ASP 1 45.012 12.510 2.711 7 H GLY 2 HN GLY 2 46.928 8.553 3.882 8 1HA GLY 2 HA2 GLY 2 44.715 8.482 5.819 9 2HA GLY 2 HA1 GLY 2 45.985 7.266 5.650 10 H SER 3 HN SER 3 47.162 7.170 7.503 11 HA SER 3 HA SER 3 47.274 9.160 9.524 12 1HB SER 3 HB2 SER 3 48.258 6.581 9.012 13 2HB SER 3 HB1 SER 3 49.699 7.558 9.281 14 HG SER 3 HG SER 3 48.833 8.213 11.248 15 H CYS 4 HN CYS 4 49.238 8.657 6.632 16 HA CYS 4 HA CYS 4 50.081 11.364 6.404 17 1HB CYS 4 HB2 CYS 4 52.528 10.883 7.114 18 2HB CYS 4 HB1 CYS 4 51.339 11.112 8.396 19 H THR 5 HN THR 5 51.166 7.989 5.950 20 HA THR 5 HA THR 5 51.526 8.584 3.049 21 HB THR 5 HB THR 5 53.576 7.130 4.745 22 HG1 THR 5 HG1 THR 5 53.554 9.814 3.826 23 1HG2 THR 5 HG21 THR 5 54.094 8.457 2.111 24 2HG2 THR 5 HG22 THR 5 53.279 6.893 2.131 25 3HG2 THR 5 HG23 THR 5 54.889 7.058 2.834 26 H ASN 6 HN ASN 6 49.524 7.037 4.634 27 HA ASN 6 HA ASN 6 50.140 4.262 3.674 28 1HB ASN 6 HB2 ASN 6 48.015 5.062 5.666 29 2HB ASN 6 HB1 ASN 6 48.815 3.502 5.488 30 1HD2 ASN 6 HD2 ASN 6 50.784 3.172 6.631 31 2HD2 ASN 6 HD2 ASN 6 51.515 4.361 7.597 32 H THR 7 HN THR 7 49.320 5.700 1.582 33 HA THR 7 HA THR 7 46.345 5.573 1.412 34 HB THR 7 HB THR 7 46.922 6.770 -0.803 35 HG1 THR 7 HG1 THR 7 48.951 7.130 -1.198 36 1HG2 THR 7 HG21 THR 7 47.982 8.244 1.593 37 2HG2 THR 7 HG22 THR 7 46.283 7.778 1.522 38 3HG2 THR 7 HG23 THR 7 46.958 8.842 0.288 39 H ASN 8 HN ASN 8 45.746 3.468 0.899 40 HA ASN 8 HA ASN 8 45.466 1.564 -0.476 41 1HB ASN 8 HB2 ASN 8 45.997 3.685 -2.131 42 2HB ASN 8 HB1 ASN 8 47.304 2.577 -2.562 43 1HD2 ASN 8 HD2 ASN 8 44.836 3.290 -4.157 44 2HD2 ASN 8 HD2 ASN 8 44.059 1.812 -4.457 45 H SER 9 HN SER 9 48.221 2.423 1.045 46 HA SER 9 HA SER 9 49.652 -0.060 0.154 47 1HB SER 9 HB2 SER 9 50.411 2.703 0.026 48 2HB SER 9 HB1 SER 9 51.467 1.890 1.177 49 HG SER 9 HG SER 9 51.094 1.454 -1.563 50 H GLN 10 HN GLN 10 51.665 -0.033 2.053 51 HA GLN 10 HA GLN 10 50.324 0.179 4.709 52 1HB GLN 10 HB2 GLN 10 50.404 -2.160 3.282 53 2HB GLN 10 HB1 GLN 10 51.888 -2.287 4.228 54 1HG GLN 10 HG2 GLN 10 50.385 -1.559 6.233 55 2HG GLN 10 HG1 GLN 10 49.047 -2.060 5.198 56 1HE2 GLN 10 HE21 GLN 10 52.276 -3.357 6.201 57 2HE2 GLN 10 HE22 GLN 10 51.731 -4.953 6.394 58 H LEU 11 HN LEU 11 51.760 1.679 5.571 59 HA LEU 11 HA LEU 11 54.672 1.371 5.134 60 1HB LEU 11 HB2 LEU 11 53.408 3.551 5.020 61 2HB LEU 11 HB1 LEU 11 53.089 3.394 6.747 62 HG LEU 11 HG LEU 11 55.491 3.381 7.221 63 1HD1 LEU 11 HD1 LEU 11 56.815 2.590 5.565 64 2HD1 LEU 11 HD1 LEU 11 56.712 4.207 4.868 65 3HD1 LEU 11 HD1 LEU 11 55.608 2.942 4.327 66 1HD2 LEU 11 HD2 LEU 11 55.198 5.614 7.321 67 2HD2 LEU 11 HD2 LEU 11 54.048 5.569 5.985 68 3HD2 LEU 11 HD2 LEU 11 55.776 5.707 5.657 69 H SER 12 HN SER 12 52.873 -0.458 6.873 70 HA SER 12 HA SER 12 53.303 -1.743 8.813 71 1HB SER 12 HB2 SER 12 55.514 -1.856 9.253 72 2HB SER 12 HB1 SER 12 55.723 -0.616 8.026 73 HG SER 12 HG SER 12 56.637 0.184 9.863 74 H ALA 13 HN ALA 13 52.477 1.473 8.722 75 HA ALA 13 HA ALA 13 51.583 2.957 10.336 76 1HB ALA 13 HB1 ALA 13 51.071 0.768 12.236 77 2HB ALA 13 HB2 ALA 13 50.552 0.405 10.591 78 3HB ALA 13 HB3 ALA 13 49.924 1.830 11.419 79 H ASN 14 HN ASN 14 54.498 1.837 10.609 80 HA ASN 14 HA ASN 14 55.031 3.148 13.200 81 1HB ASN 14 HB2 ASN 14 54.499 0.934 13.939 82 2HB ASN 14 HB1 ASN 14 55.431 0.201 12.631 83 1HD2 ASN 14 HD2 ASN 14 57.469 -0.510 13.274 84 2HD2 ASN 14 HD2 ASN 14 58.366 0.135 14.563 85 H SER 15 HN SER 15 55.839 2.955 10.093 86 HA SER 15 HA SER 15 58.791 2.831 10.492 87 1HB SER 15 HB2 SER 15 57.328 3.161 7.873 88 2HB SER 15 HB1 SER 15 58.877 2.378 8.164 89 HG SER 15 HG SER 15 57.367 0.779 7.911 90 H LYS 16 HN LYS 16 59.073 4.555 8.024 91 HA LYS 16 HA LYS 16 58.747 7.193 9.402 92 1HB LYS 16 HB2 LYS 16 60.977 6.141 8.484 93 2HB LYS 16 HB1 LYS 16 60.364 6.669 6.916 94 1HG LYS 16 HG2 LYS 16 61.794 8.411 7.895 95 2HG LYS 16 HG1 LYS 16 60.124 8.972 7.790 96 1HD LYS 16 HD2 LYS 16 59.753 8.605 10.124 97 2HD LYS 16 HD1 LYS 16 61.253 7.690 10.288 98 1HE LYS 16 HE2 LYS 16 61.937 10.236 9.187 99 2HE LYS 16 HE1 LYS 16 60.884 10.517 10.589 100 1HZ LYS 16 HZ1 LYS 16 62.998 10.233 11.512 101 2HZ LYS 16 HZ2 LYS 16 63.395 8.958 10.463 102 3HZ LYS 16 HZ3 LYS 16 62.265 8.716 11.707 103 H CYS 17 HN CYS 17 57.285 8.648 8.540 104 HA CYS 17 HA CYS 17 55.882 7.854 6.039 105 1HB CYS 17 HB2 CYS 17 55.172 8.901 8.582 106 2HB CYS 17 HB1 CYS 17 54.786 10.146 7.392 107 H GLU 18 HN GLU 18 58.122 8.718 5.035 108 HA GLU 18 HA GLU 18 58.034 11.685 4.726 109 1HB GLU 18 HB2 GLU 18 60.020 9.564 4.697 110 2HB GLU 18 HB1 GLU 18 60.157 10.576 3.257 111 1HG GLU 18 HG2 GLU 18 59.728 12.049 5.787 112 2HG GLU 18 HG1 GLU 18 61.276 11.212 5.662 113 H LYS 19 HN LYS 19 57.744 12.640 2.642 114 HA LYS 19 HA LYS 19 56.867 12.786 0.449 115 1HB LYS 19 HB2 LYS 19 58.964 11.237 0.299 116 2HB LYS 19 HB1 LYS 19 57.789 9.934 0.114 117 1HG LYS 19 HG2 LYS 19 56.795 11.768 -1.646 118 2HG LYS 19 HG1 LYS 19 58.524 12.089 -1.774 119 1HD LYS 19 HD2 LYS 19 57.821 10.367 -3.398 120 2HD LYS 19 HD1 LYS 19 58.943 9.699 -2.213 121 1HE LYS 19 HE2 LYS 19 56.391 9.370 -1.064 122 2HE LYS 19 HE1 LYS 19 56.213 8.896 -2.765 123 1HZ LYS 19 HZ1 LYS 19 58.179 7.526 -2.573 124 2HZ LYS 19 HZ2 LYS 19 57.049 7.059 -1.393 125 3HZ LYS 19 HZ3 LYS 19 58.398 7.998 -0.960 126 H SER 20 HN SER 20 55.039 11.983 -0.863 127 HA SER 20 HA SER 20 53.170 10.304 0.758 128 1HB SER 20 HB2 SER 20 53.014 12.712 -0.835 129 2HB SER 20 HB1 SER 20 51.877 11.514 -1.448 130 HG SER 20 HG SER 20 51.478 11.280 1.002 131 H THR 21 HN THR 21 52.893 8.221 0.068 132 HA THR 21 HA THR 21 53.745 7.467 -2.671 133 HB THR 21 HB THR 21 53.018 6.017 -0.120 134 HG1 THR 21 HG1 THR 21 55.315 5.821 -1.752 135 1HG2 THR 21 HG21 THR 21 52.044 4.789 -2.068 136 2HG2 THR 21 HG22 THR 21 53.345 3.896 -1.279 137 3HG2 THR 21 HG23 THR 21 53.649 4.739 -2.797 138 H LEU 22 HN LEU 22 52.300 6.346 -4.099 139 HA LEU 22 HA LEU 22 49.402 6.378 -3.392 140 1HB LEU 22 HB2 LEU 22 48.935 7.531 -5.521 141 2HB LEU 22 HB1 LEU 22 50.023 8.506 -4.533 142 HG LEU 22 HG LEU 22 51.566 6.673 -6.135 143 1HD1 LEU 22 HD1 LEU 22 49.211 7.829 -7.423 144 2HD1 LEU 22 HD1 LEU 22 50.329 6.606 -8.026 145 3HD1 LEU 22 HD1 LEU 22 50.712 8.317 -8.211 146 1HD2 LEU 22 HD2 LEU 22 51.254 9.685 -6.000 147 2HD2 LEU 22 HD2 LEU 22 52.471 8.888 -6.996 148 3HD2 LEU 22 HD2 LEU 22 52.507 8.703 -5.242 149 H THR 23 HN THR 23 50.773 4.042 -3.402 150 HA THR 23 HA THR 23 49.662 2.643 -5.733 151 HB THR 23 HB THR 23 52.545 2.110 -5.393 152 HG1 THR 23 HG1 THR 23 52.727 4.279 -5.168 153 1HG2 THR 23 HG21 THR 23 52.127 1.272 -7.432 154 2HG2 THR 23 HG22 THR 23 51.799 2.901 -8.022 155 3HG2 THR 23 HG23 THR 23 50.487 1.918 -7.374 156 H ASN 24 HN ASN 24 51.252 0.318 -5.458 157 HA ASN 24 HA ASN 24 50.205 -0.736 -2.890 158 1HB ASN 24 HB2 ASN 24 50.419 -1.615 -5.564 159 2HB ASN 24 HB1 ASN 24 51.514 -2.641 -4.638 160 1HD2 ASN 24 HD2 ASN 24 48.166 -1.305 -4.356 161 2HD2 ASN 24 HD2 ASN 24 47.509 -2.711 -3.667 162 H CYS 25 HN CYS 25 51.615 -0.679 -1.188 163 HA CYS 25 HA CYS 25 54.331 -1.797 -1.522 164 1HB CYS 25 HB2 CYS 25 53.706 1.071 -0.792 165 2HB CYS 25 HB1 CYS 25 55.227 0.306 -0.334 166 H TYR 26 HN TYR 26 54.194 -3.304 0.077 167 HA TYR 26 HA TYR 26 52.867 -2.592 2.653 168 1HB TYR 26 HB2 TYR 26 53.608 -5.128 1.196 169 2HB TYR 26 HB1 TYR 26 53.208 -5.166 2.912 170 HD1 TYR 26 HD1 TYR 26 50.966 -5.282 3.587 171 HD2 TYR 26 HD2 TYR 26 51.917 -3.893 -0.364 172 HE1 TYR 26 HE1 TYR 26 48.550 -5.215 3.028 173 HE2 TYR 26 HE2 TYR 26 49.503 -3.827 -0.922 174 HH TYR 26 HH TYR 26 47.355 -5.164 0.052 175 H VAL 27 HN VAL 27 54.209 -1.997 4.313 176 HA VAL 27 HA VAL 27 57.030 -3.022 4.259 177 HB VAL 27 HB VAL 27 56.032 -0.462 5.547 178 1HG1 VAL 27 HG11 VAL 27 58.187 -0.299 6.156 179 2HG1 VAL 27 HG12 VAL 27 58.649 -0.260 4.451 180 3HG1 VAL 27 HG13 VAL 27 58.565 -1.798 5.311 181 1HG2 VAL 27 HG21 VAL 27 56.142 -1.097 2.734 182 2HG2 VAL 27 HG22 VAL 27 57.345 0.137 3.111 183 3HG2 VAL 27 HG23 VAL 27 55.647 0.409 3.506 184 H ASP 28 HN ASP 28 58.003 -3.091 6.522 185 HA ASP 28 HA ASP 28 56.035 -3.479 8.717 186 1HB ASP 28 HB2 ASP 28 57.667 -5.538 7.300 187 2HB ASP 28 HB1 ASP 28 57.522 -5.700 9.050 188 H LYS 29 HN LYS 29 56.935 -2.141 10.295 189 HA LYS 29 HA LYS 29 58.588 -1.068 11.611 190 1HB LYS 29 HB2 LYS 29 58.599 -3.741 11.945 191 2HB LYS 29 HB1 LYS 29 60.245 -3.535 11.346 192 1HG LYS 29 HG2 LYS 29 60.252 -1.539 13.111 193 2HG LYS 29 HG1 LYS 29 59.010 -2.532 13.875 194 1HD LYS 29 HD2 LYS 29 60.511 -4.437 13.968 195 2HD LYS 29 HD1 LYS 29 61.736 -3.565 13.046 196 1HE LYS 29 HE2 LYS 29 61.690 -1.815 14.938 197 2HE LYS 29 HE1 LYS 29 60.807 -3.035 15.879 198 1HZ LYS 29 HZ1 LYS 29 63.336 -3.617 14.443 199 2HZ LYS 29 HZ2 LYS 29 62.545 -4.588 15.592 200 3HZ LYS 29 HZ3 LYS 29 63.295 -3.141 16.070 201 H SER 30 HN SER 30 59.014 0.153 9.395 202 HA SER 30 HA SER 30 61.904 -0.254 8.688 203 1HB SER 30 HB2 SER 30 59.788 0.632 6.733 204 2HB SER 30 HB1 SER 30 61.360 -0.094 6.398 205 HG SER 30 HG SER 30 59.086 -1.336 7.569 206 H GLU 31 HN GLU 31 62.352 1.806 7.075 207 HA GLU 31 HA GLU 31 61.241 4.300 8.258 208 1HB GLU 31 HB2 GLU 31 63.810 3.110 8.834 209 2HB GLU 31 HB1 GLU 31 64.056 4.632 7.976 210 1HG GLU 31 HG2 GLU 31 61.964 4.910 9.964 211 2HG GLU 31 HG1 GLU 31 63.451 4.319 10.706 212 H VAL 32 HN VAL 32 60.337 4.928 6.259 213 HA VAL 32 HA VAL 32 62.075 4.781 3.847 214 HB VAL 32 HB VAL 32 59.122 5.234 4.342 215 1HG1 VAL 32 HG11 VAL 32 60.419 4.800 1.650 216 2HG1 VAL 32 HG12 VAL 32 60.147 6.420 2.291 217 3HG1 VAL 32 HG13 VAL 32 58.778 5.346 2.001 218 1HG2 VAL 32 HG21 VAL 32 60.084 2.930 4.704 219 2HG2 VAL 32 HG22 VAL 32 60.599 2.936 3.013 220 3HG2 VAL 32 HG23 VAL 32 58.882 3.003 3.413 221 H TYR 33 HN TYR 33 62.233 6.650 2.436 222 HA TYR 33 HA TYR 33 61.681 9.289 3.747 223 1HB TYR 33 HB2 TYR 33 64.118 8.064 3.639 224 2HB TYR 33 HB1 TYR 33 64.165 8.994 2.145 225 HD1 TYR 33 HD1 TYR 33 62.819 9.578 5.616 226 HD2 TYR 33 HD2 TYR 33 65.266 11.020 2.400 227 HE1 TYR 33 HE1 TYR 33 63.328 11.628 6.917 228 HE2 TYR 33 HE2 TYR 33 65.773 13.068 3.695 229 HH TYR 33 HH TYR 33 64.116 13.803 6.682 230 H GLY 34 HN GLY 34 63.241 10.400 1.334 231 1HA GLY 34 HA2 GLY 34 60.949 10.713 -0.413 232 2HA GLY 34 HA1 GLY 34 62.580 11.307 -0.741 233 H THR 35 HN THR 35 61.042 8.088 -0.367 234 HA THR 35 HA THR 35 62.761 7.066 -2.566 235 HB THR 35 HB THR 35 60.818 5.433 -0.969 236 HG1 THR 35 HG1 THR 35 63.330 6.072 0.084 237 1HG2 THR 35 HG21 THR 35 63.720 4.883 -1.563 238 2HG2 THR 35 HG22 THR 35 62.480 4.605 -2.786 239 3HG2 THR 35 HG23 THR 35 62.423 3.728 -1.256 240 H THR 36 HN THR 36 60.664 4.917 -3.025 241 HA THR 36 HA THR 36 58.621 6.519 -4.515 242 HB THR 36 HB THR 36 59.131 5.271 -6.529 243 HG1 THR 36 HG1 THR 36 59.772 3.314 -6.094 244 1HG2 THR 36 HG21 THR 36 60.566 7.179 -6.229 245 2HG2 THR 36 HG22 THR 36 61.572 5.858 -6.820 246 3HG2 THR 36 HG23 THR 36 61.603 6.292 -5.112 247 H CYS 37 HN CYS 37 57.538 4.281 -5.868 248 HA CYS 37 HA CYS 37 56.976 2.013 -4.224 249 1HB CYS 37 HB2 CYS 37 56.034 3.675 -2.711 250 2HB CYS 37 HB1 CYS 37 55.099 4.390 -4.021 251 H THR 38 HN THR 38 57.444 2.173 -6.897 252 HA THR 38 HA THR 38 54.827 2.186 -8.318 253 HB THR 38 HB THR 38 57.480 1.644 -9.605 254 HG1 THR 38 HG1 THR 38 56.645 4.073 -8.427 255 1HG2 THR 38 HG21 THR 38 56.290 2.165 -11.436 256 2HG2 THR 38 HG22 THR 38 55.885 3.741 -10.756 257 3HG2 THR 38 HG23 THR 38 54.860 2.347 -10.419 258 H GLY 39 HN GLY 39 55.038 0.051 -6.529 259 1HA GLY 39 HA2 GLY 39 54.308 -2.242 -6.948 260 2HA GLY 39 HA1 GLY 39 55.301 -2.248 -8.409 261 H SER 40 HN SER 40 55.382 -2.471 -4.899 262 HA SER 40 HA SER 40 57.779 -4.123 -4.973 263 1HB SER 40 HB2 SER 40 59.289 -2.521 -3.974 264 2HB SER 40 HB1 SER 40 58.574 -1.752 -5.387 265 HG SER 40 HG SER 40 58.598 -0.517 -3.346 266 H ARG 41 HN ARG 41 58.567 -4.452 -2.598 267 HA ARG 41 HA ARG 41 56.336 -4.093 -0.639 268 1HB ARG 41 HB2 ARG 41 55.937 -6.287 -1.339 269 2HB ARG 41 HB1 ARG 41 57.639 -6.591 -1.683 270 1HG ARG 41 HG2 ARG 41 56.915 -7.827 0.324 271 2HG ARG 41 HG1 ARG 41 58.127 -6.613 0.738 272 1HD ARG 41 HD2 ARG 41 56.664 -5.755 2.250 273 2HD ARG 41 HD1 ARG 41 55.596 -5.320 0.898 274 HE ARG 41 HE ARG 41 54.528 -7.530 1.107 275 1HH1 ARG 41 HH1 ARG 41 56.880 -8.872 2.486 276 2HH1 ARG 41 HH1 ARG 41 56.269 -9.055 4.095 277 1HH2 ARG 41 HH2 ARG 41 53.675 -6.799 3.652 278 2HH2 ARG 41 HH2 ARG 41 54.460 -7.873 4.759 279 H PHE 42 HN PHE 42 57.107 -3.610 1.422 280 HA PHE 42 HA PHE 42 60.090 -3.688 1.784 281 1HB PHE 42 HB2 PHE 42 57.928 -1.722 2.382 282 2HB PHE 42 HB1 PHE 42 59.281 -1.801 3.502 283 HD1 PHE 42 HD1 PHE 42 60.665 0.029 3.104 284 HD2 PHE 42 HD2 PHE 42 59.121 -2.197 -0.231 285 HE1 PHE 42 HE1 PHE 42 62.023 1.402 1.553 286 HE2 PHE 42 HE2 PHE 42 60.493 -0.837 -1.786 287 HZ PHE 42 HZ PHE 42 61.943 0.968 -0.889 288 H ASP 43 HN ASP 43 60.706 -3.804 4.168 289 HA ASP 43 HA ASP 43 58.952 -4.692 6.231 290 1HB ASP 43 HB2 ASP 43 58.455 -6.633 4.969 291 2HB ASP 43 HB1 ASP 43 60.107 -6.770 4.366 292 H GLY 44 HN GLY 44 60.225 -4.101 7.974 293 1HA GLY 44 HA2 GLY 44 62.196 -3.607 9.185 294 2HA GLY 44 HA1 GLY 44 62.698 -5.225 8.672 295 H VAL 45 HN VAL 45 62.369 -1.932 7.331 296 HA VAL 45 HA VAL 45 65.007 -2.307 5.972 297 HB VAL 45 HB VAL 45 62.275 -1.703 4.841 298 1HG1 VAL 45 HG11 VAL 45 63.906 0.061 4.077 299 2HG1 VAL 45 HG12 VAL 45 63.259 -0.935 2.776 300 3HG1 VAL 45 HG13 VAL 45 64.890 -1.228 3.383 301 1HG2 VAL 45 HG21 VAL 45 64.320 -3.814 4.634 302 2HG2 VAL 45 HG22 VAL 45 63.627 -3.316 3.090 303 3HG2 VAL 45 HG23 VAL 45 62.577 -3.903 4.380 304 H THR 46 HN THR 46 66.163 -0.618 6.916 305 HA THR 46 HA THR 46 64.793 1.995 7.311 306 HB THR 46 HB THR 46 67.452 0.809 8.139 307 HG1 THR 46 HG1 THR 46 66.458 1.501 10.210 308 1HG2 THR 46 HG21 THR 46 68.239 2.935 7.951 309 2HG2 THR 46 HG22 THR 46 67.296 3.226 9.415 310 3HG2 THR 46 HG23 THR 46 66.615 3.619 7.832 311 H ILE 47 HN ILE 47 64.628 2.479 5.024 312 HA ILE 47 HA ILE 47 67.232 2.971 3.624 313 HB ILE 47 HB ILE 47 65.790 2.774 1.599 314 1HG1 ILE 47 HG12 ILE 47 63.432 1.699 2.761 315 2HG1 ILE 47 HG11 ILE 47 63.760 3.217 3.603 316 1HG2 ILE 47 HG21 ILE 47 66.750 0.720 2.321 317 2HG2 ILE 47 HG22 ILE 47 65.041 0.362 2.065 318 3HG2 ILE 47 HG23 ILE 47 65.656 0.607 3.700 319 1HD1 ILE 47 HD1 ILE 47 64.054 4.307 1.338 320 2HD1 ILE 47 HD1 ILE 47 62.414 3.748 1.669 321 3HD1 ILE 47 HD1 ILE 47 63.470 2.809 0.612 322 H THR 48 HN THR 48 67.258 4.968 2.236 323 HA THR 48 HA THR 48 65.608 7.147 3.458 324 HB THR 48 HB THR 48 68.219 6.930 3.675 325 HG1 THR 48 HG1 THR 48 66.871 8.754 4.223 326 1HG2 THR 48 HG21 THR 48 68.147 6.802 0.992 327 2HG2 THR 48 HG22 THR 48 69.513 7.493 1.867 328 3HG2 THR 48 HG23 THR 48 68.276 8.549 1.183 329 H THR 49 HN THR 49 66.499 9.055 1.399 330 HA THR 49 HA THR 49 64.438 8.772 -0.549 331 HB THR 49 HB THR 49 67.077 10.212 -0.924 332 HG1 THR 49 HG1 THR 49 66.516 10.943 1.003 333 1HG2 THR 49 HG21 THR 49 64.360 11.273 -1.617 334 2HG2 THR 49 HG22 THR 49 65.106 10.070 -2.669 335 3HG2 THR 49 HG23 THR 49 65.918 11.607 -2.375 336 H SER 50 HN SER 50 64.656 6.547 -1.372 337 HA SER 50 HA SER 50 66.801 6.349 -3.439 338 1HB SER 50 HB2 SER 50 66.031 3.900 -1.932 339 2HB SER 50 HB1 SER 50 67.603 4.376 -2.567 340 HG SER 50 HG SER 50 66.270 5.374 -0.267 341 H THR 51 HN THR 51 66.140 3.805 -4.345 342 HA THR 51 HA THR 51 63.244 3.894 -5.036 343 HB THR 51 HB THR 51 65.264 3.469 -7.206 344 HG1 THR 51 HG1 THR 51 65.426 5.704 -7.481 345 1HG2 THR 51 HG21 THR 51 63.258 5.163 -8.073 346 2HG2 THR 51 HG22 THR 51 62.428 4.140 -6.899 347 3HG2 THR 51 HG23 THR 51 63.269 3.410 -8.267 348 H SER 52 HN SER 52 63.772 1.988 -3.404 349 HA SER 52 HA SER 52 64.903 -0.389 -4.792 350 1HB SER 52 HB2 SER 52 64.916 0.643 -2.177 351 2HB SER 52 HB1 SER 52 63.845 -0.752 -2.098 352 HG SER 52 HG SER 52 65.909 -1.462 -3.569 353 H THR 53 HN THR 53 62.981 -0.427 -6.293 354 HA THR 53 HA THR 53 60.577 -1.591 -4.938 355 HB THR 53 HB THR 53 59.376 -0.604 -6.952 356 HG1 THR 53 HG1 THR 53 60.799 1.198 -7.809 357 1HG2 THR 53 HG21 THR 53 60.853 1.568 -5.491 358 2HG2 THR 53 HG22 THR 53 59.779 0.487 -4.603 359 3HG2 THR 53 HG23 THR 53 59.144 1.477 -5.916 360 H GLY 54 HN GLY 54 59.267 -2.940 -6.646 361 1HA GLY 54 HA2 GLY 54 59.250 -4.534 -8.436 362 2HA GLY 54 HA1 GLY 54 60.992 -4.315 -8.613 363 H SER 55 HN SER 55 61.576 -4.659 -5.775 364 HA SER 55 HA SER 55 60.873 -7.555 -5.430 365 1HB SER 55 HB2 SER 55 63.089 -8.064 -5.479 366 2HB SER 55 HB1 SER 55 63.309 -6.470 -6.192 367 HG SER 55 HG SER 55 64.596 -6.836 -4.299 368 H ARG 56 HN ARG 56 61.161 -8.276 -3.131 369 HA ARG 56 HA ARG 56 60.348 -6.114 -1.265 370 1HB ARG 56 HB2 ARG 56 59.575 -7.968 0.116 371 2HB ARG 56 HB1 ARG 56 59.031 -8.232 -1.540 372 1HG ARG 56 HG2 ARG 56 61.146 -9.635 -1.856 373 2HG ARG 56 HG1 ARG 56 61.329 -9.567 -0.103 374 1HD ARG 56 HD2 ARG 56 58.635 -10.336 -1.127 375 2HD ARG 56 HD1 ARG 56 59.933 -11.534 -1.295 376 HE ARG 56 HE ARG 56 59.219 -10.242 1.315 377 1HH1 ARG 56 HH1 ARG 56 59.086 -13.138 -0.316 378 2HH1 ARG 56 HH1 ARG 56 59.928 -14.070 0.876 379 1HH2 ARG 56 HH2 ARG 56 60.893 -11.310 2.738 380 2HH2 ARG 56 HH2 ARG 56 60.957 -13.034 2.600 381 H ILE 57 HN ILE 57 61.683 -5.463 0.423 382 HA ILE 57 HA ILE 57 64.368 -6.785 0.566 383 HB ILE 57 HB ILE 57 63.332 -3.993 1.091 384 1HG1 ILE 57 HG12 ILE 57 65.101 -5.345 -0.929 385 2HG1 ILE 57 HG11 ILE 57 63.827 -4.154 -1.185 386 1HG2 ILE 57 HG21 ILE 57 65.599 -3.413 1.828 387 2HG2 ILE 57 HG22 ILE 57 66.102 -5.094 1.647 388 3HG2 ILE 57 HG23 ILE 57 64.920 -4.655 2.879 389 1HD1 ILE 57 HD1 ILE 57 66.079 -3.183 -1.567 390 2HD1 ILE 57 HD1 ILE 57 66.520 -3.585 0.093 391 3HD1 ILE 57 HD1 ILE 57 65.255 -2.393 -0.219 392 H SER 58 HN SER 58 65.399 -6.773 2.733 393 HA SER 58 HA SER 58 63.550 -6.645 5.064 394 1HB SER 58 HB2 SER 58 63.947 -8.999 3.727 395 2HB SER 58 HB1 SER 58 65.241 -9.072 4.919 396 HG SER 58 HG SER 58 62.476 -8.627 5.412 397 H GLY 59 HN GLY 59 64.719 -6.334 7.061 398 1HA GLY 59 HA2 GLY 59 67.435 -6.718 7.549 399 2HA GLY 59 HA1 GLY 59 67.354 -5.146 6.752 400 HA PRO 60 HA PRO 60 65.480 -5.012 11.197 401 1HB PRO 60 HB2 PRO 60 67.383 -5.933 12.947 402 2HB PRO 60 HB1 PRO 60 66.076 -6.957 12.318 403 1HG PRO 60 HG2 PRO 60 68.925 -6.791 11.473 404 2HG PRO 60 HG1 PRO 60 67.872 -8.206 11.619 405 1HD PRO 60 HD2 PRO 60 68.464 -7.022 9.237 406 2HD PRO 60 HD1 PRO 60 66.948 -7.898 9.543 407 H GLY 61 HN GLY 61 68.343 -4.325 9.583 408 1HA GLY 61 HA2 GLY 61 68.557 -1.680 10.754 409 2HA GLY 61 HA1 GLY 61 69.939 -2.715 11.136 410 H CYS 62 HN CYS 62 68.019 -2.775 8.147 411 HA CYS 62 HA CYS 62 70.373 -2.791 6.466 412 1HB CYS 62 HB2 CYS 62 68.396 -3.882 5.743 413 2HB CYS 62 HB1 CYS 62 67.388 -2.488 6.118 414 H LYS 63 HN LYS 63 71.011 -1.123 4.963 415 HA LYS 63 HA LYS 63 69.922 1.617 5.412 416 1HB LYS 63 HB2 LYS 63 72.033 0.851 6.827 417 2HB LYS 63 HB1 LYS 63 72.890 1.173 5.319 418 1HG LYS 63 HG2 LYS 63 72.912 3.349 5.902 419 2HG LYS 63 HG1 LYS 63 71.169 3.361 5.642 420 1HD LYS 63 HD2 LYS 63 71.297 2.243 8.124 421 2HD LYS 63 HD1 LYS 63 72.695 3.318 8.175 422 1HE LYS 63 HE2 LYS 63 70.077 4.361 7.113 423 2HE LYS 63 HE1 LYS 63 70.350 4.279 8.865 424 1HZ LYS 63 HZ1 LYS 63 72.285 5.468 6.955 425 2HZ LYS 63 HZ2 LYS 63 72.340 5.532 8.651 426 3HZ LYS 63 HZ3 LYS 63 71.137 6.382 7.804 427 H ILE 64 HN ILE 64 69.239 2.004 3.323 428 HA ILE 64 HA ILE 64 71.024 1.221 1.060 429 HB ILE 64 HB ILE 64 68.442 0.688 1.494 430 1HG1 ILE 64 HG12 ILE 64 69.513 1.515 -1.221 431 2HG1 ILE 64 HG11 ILE 64 69.793 -0.048 -0.451 432 1HG2 ILE 64 HG21 ILE 64 67.704 3.000 1.673 433 2HG2 ILE 64 HG22 ILE 64 67.025 2.289 0.209 434 3HG2 ILE 64 HG23 ILE 64 68.407 3.379 0.100 435 1HD1 ILE 64 HD1 ILE 64 67.522 0.799 -1.989 436 2HD1 ILE 64 HD1 ILE 64 66.995 0.448 -0.341 437 3HD1 ILE 64 HD1 ILE 64 67.837 -0.787 -1.280 438 H SER 65 HN SER 65 71.042 2.897 -0.793 439 HA SER 65 HA SER 65 70.682 5.708 0.097 440 1HB SER 65 HB2 SER 65 72.863 5.642 0.790 441 2HB SER 65 HB1 SER 65 73.231 4.226 -0.189 442 HG SER 65 HG SER 65 74.292 6.050 -1.006 443 H THR 66 HN THR 66 69.223 6.048 -1.623 444 HA THR 66 HA THR 66 68.565 6.495 -3.844 445 HB THR 66 HB THR 66 70.194 7.656 -5.063 446 HG1 THR 66 HG1 THR 66 71.828 6.462 -5.576 447 1HG2 THR 66 HG21 THR 66 71.227 9.033 -3.509 448 2HG2 THR 66 HG22 THR 66 71.701 7.685 -2.476 449 3HG2 THR 66 HG23 THR 66 70.027 8.242 -2.486 450 H CYS 67 HN CYS 67 67.698 4.691 -4.800 451 HA CYS 67 HA CYS 67 69.599 2.706 -6.007 452 1HB CYS 67 HB2 CYS 67 67.699 2.371 -3.967 453 2HB CYS 67 HB1 CYS 67 66.927 1.710 -5.406 454 H ILE 68 HN ILE 68 67.470 1.288 -7.350 455 HA ILE 68 HA ILE 68 66.194 3.338 -9.089 456 HB ILE 68 HB ILE 68 68.245 1.264 -9.891 457 1HG1 ILE 68 HG12 ILE 68 67.980 4.261 -10.297 458 2HG1 ILE 68 HG11 ILE 68 69.114 3.451 -9.217 459 1HG2 ILE 68 HG21 ILE 68 66.481 2.904 -11.733 460 2HG2 ILE 68 HG22 ILE 68 66.243 1.189 -11.405 461 3HG2 ILE 68 HG23 ILE 68 67.710 1.735 -12.215 462 1HD1 ILE 68 HD1 ILE 68 69.231 2.479 -11.989 463 2HD1 ILE 68 HD1 ILE 68 70.540 2.949 -10.907 464 3HD1 ILE 68 HD1 ILE 68 69.664 4.180 -11.816 465 H ILE 69 HN ILE 69 64.255 2.617 -9.950 466 HA ILE 69 HA ILE 69 62.825 0.473 -8.835 467 HB ILE 69 HB ILE 69 61.759 2.280 -10.005 468 1HG1 ILE 69 HG12 ILE 69 61.228 0.254 -12.086 469 2HG1 ILE 69 HG11 ILE 69 61.074 -0.335 -10.430 470 1HG2 ILE 69 HG21 ILE 69 62.086 2.257 -12.622 471 2HG2 ILE 69 HG22 ILE 69 63.609 1.467 -12.221 472 3HG2 ILE 69 HG23 ILE 69 63.261 3.075 -11.593 473 1HD1 ILE 69 HD1 ILE 69 59.698 1.817 -10.008 474 2HD1 ILE 69 HD1 ILE 69 58.927 0.520 -10.922 475 3HD1 ILE 69 HD1 ILE 69 59.585 1.923 -11.765 476 H THR 70 HN THR 70 63.476 -1.671 -8.927 477 HA THR 70 HA THR 70 63.989 -2.836 -11.621 478 HB THR 70 HB THR 70 65.867 -3.367 -9.319 479 HG1 THR 70 HG1 THR 70 66.647 -1.456 -9.566 480 1HG2 THR 70 HG21 THR 70 66.745 -3.304 -12.149 481 2HG2 THR 70 HG22 THR 70 65.601 -4.581 -11.733 482 3HG2 THR 70 HG23 THR 70 67.136 -4.458 -10.873 483 H GLY 71 HN GLY 71 63.118 -4.886 -11.766 484 1HA GLY 71 HA2 GLY 71 61.596 -5.944 -9.537 485 2HA GLY 71 HA1 GLY 71 61.837 -6.746 -11.092 486 H GLY 72 HN GLY 72 63.468 -6.040 -8.009 487 1HA GLY 72 HA2 GLY 72 64.500 -7.934 -6.796 488 2HA GLY 72 HA1 GLY 72 64.954 -8.608 -8.362 489 H VAL 73 HN VAL 73 66.118 -6.880 -5.756 490 HA VAL 73 HA VAL 73 68.048 -5.242 -7.286 491 HB VAL 73 HB VAL 73 67.536 -5.747 -4.337 492 1HG1 VAL 73 HG11 VAL 73 69.301 -3.601 -5.537 493 2HG1 VAL 73 HG12 VAL 73 69.943 -5.144 -4.974 494 3HG1 VAL 73 HG13 VAL 73 69.146 -4.053 -3.839 495 1HG2 VAL 73 HG21 VAL 73 66.605 -3.481 -4.393 496 2HG2 VAL 73 HG22 VAL 73 65.792 -4.480 -5.597 497 3HG2 VAL 73 HG23 VAL 73 67.028 -3.325 -6.098 498 HA PRO 74 HA PRO 74 71.118 -8.394 -7.333 499 1HB PRO 74 HB2 PRO 74 73.325 -6.802 -7.657 500 2HB PRO 74 HB1 PRO 74 72.177 -7.152 -8.967 501 1HG PRO 74 HG2 PRO 74 72.390 -4.738 -7.229 502 2HG PRO 74 HG1 PRO 74 72.049 -4.853 -8.963 503 1HD PRO 74 HD2 PRO 74 70.116 -4.430 -7.108 504 2HD PRO 74 HD1 PRO 74 69.820 -5.293 -8.634 505 H ALA 75 HN ALA 75 72.357 -9.413 -5.783 506 HA ALA 75 HA ALA 75 72.357 -8.598 -3.079 507 1HB ALA 75 HB1 ALA 75 72.786 -10.864 -4.306 508 2HB ALA 75 HB2 ALA 75 73.600 -10.564 -2.771 509 3HB ALA 75 HB3 ALA 75 74.475 -10.358 -4.288 510 HA PRO 76 HA PRO 76 76.878 -7.124 -3.723 511 1HB PRO 76 HB2 PRO 76 77.643 -6.488 -6.277 512 2HB PRO 76 HB1 PRO 76 77.881 -8.096 -5.564 513 1HG PRO 76 HG2 PRO 76 75.784 -7.154 -7.451 514 2HG PRO 76 HG1 PRO 76 76.634 -8.705 -7.392 515 1HD PRO 76 HD2 PRO 76 74.103 -8.340 -6.474 516 2HD PRO 76 HD1 PRO 76 75.203 -9.577 -5.832 517 H SER 77 HN SER 77 74.792 -5.778 -6.313 518 HA SER 77 HA SER 77 73.917 -3.592 -6.564 519 1HB SER 77 HB2 SER 77 73.163 -2.765 -4.568 520 2HB SER 77 HB1 SER 77 73.785 -4.283 -3.927 521 HG SER 77 HG SER 77 75.732 -3.216 -3.465 522 H ALA 78 HN ALA 78 76.761 -4.132 -7.199 523 HA ALA 78 HA ALA 78 78.612 -2.240 -6.298 524 1HB ALA 78 HB1 ALA 78 78.521 -2.516 -9.219 525 2HB ALA 78 HB2 ALA 78 78.337 -4.060 -8.385 526 3HB ALA 78 HB3 ALA 78 79.760 -3.060 -8.086 527 H ALA 79 HN ALA 79 75.708 -1.771 -8.157 528 HA ALA 79 HA ALA 79 76.375 0.970 -9.003 529 1HB ALA 79 HB1 ALA 79 74.055 -0.949 -9.225 530 2HB ALA 79 HB2 ALA 79 75.071 -0.299 -10.515 531 3HB ALA 79 HB3 ALA 79 73.881 0.736 -9.726 532 H CYS 80 HN CYS 80 73.446 -0.227 -7.367 533 HA CYS 80 HA CYS 80 72.920 2.245 -5.995 534 1HB CYS 80 HB2 CYS 80 71.273 0.489 -6.637 535 2HB CYS 80 HB1 CYS 80 71.989 -0.594 -5.446 536 H LYS 81 HN LYS 81 72.780 2.352 -3.527 537 HA LYS 81 HA LYS 81 75.214 1.081 -2.324 538 1HB LYS 81 HB2 LYS 81 73.906 3.755 -2.210 539 2HB LYS 81 HB1 LYS 81 74.677 3.184 -0.729 540 1HG LYS 81 HG2 LYS 81 76.383 4.354 -1.901 541 2HG LYS 81 HG1 LYS 81 76.718 2.646 -2.182 542 1HD LYS 81 HD2 LYS 81 75.044 3.152 -4.260 543 2HD LYS 81 HD1 LYS 81 75.811 4.731 -4.084 544 1HE LYS 81 HE2 LYS 81 77.373 2.131 -4.253 545 2HE LYS 81 HE1 LYS 81 77.058 3.187 -5.644 546 1HZ LYS 81 HZ1 LYS 81 79.154 3.770 -4.577 547 2HZ LYS 81 HZ2 LYS 81 78.352 4.016 -3.099 548 3HZ LYS 81 HZ3 LYS 81 78.032 5.031 -4.422 549 H ILE 82 HN ILE 82 74.403 -0.722 -1.250 550 HA ILE 82 HA ILE 82 72.168 -0.248 0.694 551 HB ILE 82 HB ILE 82 71.434 -1.669 -1.090 552 1HG1 ILE 82 HG12 ILE 82 71.294 -2.446 1.469 553 2HG1 ILE 82 HG11 ILE 82 70.662 -3.448 0.167 554 1HG2 ILE 82 HG21 ILE 82 72.957 -3.879 -1.338 555 2HG2 ILE 82 HG22 ILE 82 74.205 -2.721 -0.878 556 3HG2 ILE 82 HG23 ILE 82 73.217 -2.429 -2.309 557 1HD1 ILE 82 HD1 ILE 82 73.387 -3.718 1.477 558 2HD1 ILE 82 HD1 ILE 82 72.836 -4.672 0.102 559 3HD1 ILE 82 HD1 ILE 82 72.023 -4.820 1.659 560 H SER 83 HN SER 83 72.378 -1.483 2.717 561 HA SER 83 HA SER 83 74.994 -2.773 3.257 562 1HB SER 83 HB2 SER 83 75.537 -0.495 3.702 563 2HB SER 83 HB1 SER 83 73.976 -0.191 4.458 564 HG SER 83 HG SER 83 76.171 -0.831 5.667 565 H GLY 84 HN GLY 84 73.990 -4.705 3.908 566 1HA GLY 84 HA2 GLY 84 73.065 -6.102 5.590 567 2HA GLY 84 HA1 GLY 84 72.616 -4.656 6.499 568 H CYS 85 HN CYS 85 71.789 -6.004 3.285 569 HA CYS 85 HA CYS 85 68.904 -5.894 4.033 570 1HB CYS 85 HB2 CYS 85 70.289 -3.912 2.591 571 2HB CYS 85 HB1 CYS 85 69.393 -4.828 1.379 572 H THR 86 HN THR 86 67.602 -7.280 2.746 573 HA THR 86 HA THR 86 69.104 -9.164 0.960 574 HB THR 86 HB THR 86 68.091 -10.119 3.008 575 HG1 THR 86 HG1 THR 86 68.083 -11.413 1.173 576 1HG2 THR 86 HG21 THR 86 65.601 -10.105 3.203 577 2HG2 THR 86 HG22 THR 86 65.535 -8.974 1.851 578 3HG2 THR 86 HG23 THR 86 66.313 -8.500 3.362 579 H PHE 87 HN PHE 87 67.840 -9.888 -0.988 580 HA PHE 87 HA PHE 87 65.757 -7.884 -1.801 581 1HB PHE 87 HB2 PHE 87 67.870 -9.057 -3.617 582 2HB PHE 87 HB1 PHE 87 66.854 -7.647 -3.907 583 HD1 PHE 87 HD1 PHE 87 70.088 -8.324 -3.500 584 HD2 PHE 87 HD2 PHE 87 67.032 -6.122 -1.436 585 HE1 PHE 87 HE1 PHE 87 71.821 -6.869 -2.488 586 HE2 PHE 87 HE2 PHE 87 68.766 -4.667 -0.423 587 HZ PHE 87 HZ PHE 87 71.161 -5.039 -0.949 588 H SER 88 HN SER 88 64.204 -8.684 -3.329 589 HA SER 88 HA SER 88 64.235 -11.370 -4.387 590 1HB SER 88 HB2 SER 88 62.928 -10.785 -1.742 591 2HB SER 88 HB1 SER 88 62.233 -12.011 -2.799 592 HG SER 88 HG SER 88 63.742 -12.972 -1.450 593 H ALA 89 HN ALA 89 63.050 -11.043 -6.226 594 HA ALA 89 HA ALA 89 61.506 -8.910 -6.995 595 1HB ALA 89 HB1 ALA 89 61.585 -10.377 -8.723 596 2HB ALA 89 HB2 ALA 89 60.136 -11.101 -8.025 597 3HB ALA 89 HB3 ALA 89 61.726 -11.758 -7.635 598 H ASN 90 HN ASN 90 59.442 -8.126 -6.586 599 HA ASN 90 HA ASN 90 57.741 -9.692 -4.669 600 1HB ASN 90 HB2 ASN 90 58.713 -7.819 -3.529 601 2HB ASN 90 HB1 ASN 90 58.395 -6.743 -4.891 602 1HD2 ASN 90 HD2 ASN 90 56.306 -5.776 -5.033 603 2HD2 ASN 90 HD2 ASN 90 55.084 -6.037 -3.885 Start of MODEL 9 1 1H ASP 1 HT1 ASP 1 45.167 8.142 1.724 2 2H ASP 1 HT2 ASP 1 44.606 9.670 1.237 3 3H ASP 1 HT3 ASP 1 43.960 8.927 2.621 4 HA ASP 1 HA ASP 1 46.848 9.362 2.617 5 1HB ASP 1 HB2 ASP 1 45.613 11.347 1.522 6 2HB ASP 1 HB1 ASP 1 44.897 11.618 3.112 7 H GLY 2 HN GLY 2 47.239 8.347 4.559 8 1HA GLY 2 HA2 GLY 2 45.251 8.707 6.758 9 2HA GLY 2 HA1 GLY 2 46.409 7.379 6.663 10 H SER 3 HN SER 3 47.849 7.642 8.308 11 HA SER 3 HA SER 3 48.488 9.905 9.783 12 1HB SER 3 HB2 SER 3 49.342 7.767 10.408 13 2HB SER 3 HB1 SER 3 50.117 7.535 8.844 14 HG SER 3 HG SER 3 50.816 9.714 10.485 15 H CYS 4 HN CYS 4 49.465 9.142 6.509 16 HA CYS 4 HA CYS 4 50.255 11.805 5.879 17 1HB CYS 4 HB2 CYS 4 52.808 11.086 5.693 18 2HB CYS 4 HB1 CYS 4 52.159 11.698 7.209 19 H THR 5 HN THR 5 51.659 8.578 5.124 20 HA THR 5 HA THR 5 50.804 9.029 2.287 21 HB THR 5 HB THR 5 53.310 9.141 2.977 22 HG1 THR 5 HG1 THR 5 52.827 8.955 0.849 23 1HG2 THR 5 HG21 THR 5 54.447 7.007 3.219 24 2HG2 THR 5 HG22 THR 5 52.931 6.134 2.986 25 3HG2 THR 5 HG23 THR 5 53.173 7.105 4.438 26 H ASN 6 HN ASN 6 49.652 7.501 4.751 27 HA ASN 6 HA ASN 6 49.758 4.695 3.893 28 1HB ASN 6 HB2 ASN 6 49.383 5.993 6.262 29 2HB ASN 6 HB1 ASN 6 47.710 5.645 5.820 30 1HD2 ASN 6 HD2 ASN 6 50.704 3.725 5.249 31 2HD2 ASN 6 HD2 ASN 6 50.140 2.333 6.041 32 H THR 7 HN THR 7 48.875 6.087 1.737 33 HA THR 7 HA THR 7 45.896 5.981 1.728 34 HB THR 7 HB THR 7 47.154 7.967 0.878 35 HG1 THR 7 HG1 THR 7 46.078 6.826 -1.411 36 1HG2 THR 7 HG21 THR 7 48.796 7.824 -0.700 37 2HG2 THR 7 HG22 THR 7 47.984 6.521 -1.570 38 3HG2 THR 7 HG23 THR 7 48.924 6.163 -0.121 39 H ASN 8 HN ASN 8 45.596 3.678 1.655 40 HA ASN 8 HA ASN 8 45.235 1.662 0.457 41 1HB ASN 8 HB2 ASN 8 45.412 3.726 -1.435 42 2HB ASN 8 HB1 ASN 8 46.534 2.495 -2.018 43 1HD2 ASN 8 HD2 ASN 8 43.456 3.403 -2.513 44 2HD2 ASN 8 HD2 ASN 8 42.708 1.896 -2.741 45 H SER 9 HN SER 9 48.116 2.991 1.311 46 HA SER 9 HA SER 9 49.711 0.665 0.297 47 1HB SER 9 HB2 SER 9 51.507 2.575 1.092 48 2HB SER 9 HB1 SER 9 50.891 2.429 -0.551 49 HG SER 9 HG SER 9 50.237 4.404 -0.159 50 H GLN 10 HN GLN 10 51.045 -0.400 1.854 51 HA GLN 10 HA GLN 10 50.299 0.176 4.693 52 1HB GLN 10 HB2 GLN 10 50.569 -2.181 3.023 53 2HB GLN 10 HB1 GLN 10 51.595 -2.319 4.451 54 1HG GLN 10 HG2 GLN 10 49.517 -1.518 5.775 55 2HG GLN 10 HG1 GLN 10 48.607 -1.929 4.321 56 1HE2 GLN 10 HE21 GLN 10 47.925 -4.069 4.198 57 2HE2 GLN 10 HE22 GLN 10 48.603 -5.361 5.068 58 H LEU 11 HN LEU 11 51.951 1.841 4.955 59 HA LEU 11 HA LEU 11 54.784 1.102 4.523 60 1HB LEU 11 HB2 LEU 11 53.782 3.374 4.069 61 2HB LEU 11 HB1 LEU 11 53.507 3.542 5.804 62 HG LEU 11 HG LEU 11 56.134 2.858 5.812 63 1HD1 LEU 11 HD1 LEU 11 57.188 4.256 3.995 64 2HD1 LEU 11 HD1 LEU 11 55.599 4.364 3.237 65 3HD1 LEU 11 HD1 LEU 11 56.390 2.796 3.411 66 1HD2 LEU 11 HD2 LEU 11 54.550 5.123 6.320 67 2HD2 LEU 11 HD2 LEU 11 55.868 5.704 5.304 68 3HD2 LEU 11 HD2 LEU 11 56.223 4.874 6.820 69 H SER 12 HN SER 12 52.962 -0.247 6.594 70 HA SER 12 HA SER 12 53.139 -0.972 8.835 71 1HB SER 12 HB2 SER 12 55.437 -1.421 7.760 72 2HB SER 12 HB1 SER 12 55.980 0.034 8.582 73 HG SER 12 HG SER 12 54.685 -2.135 9.872 74 H ALA 13 HN ALA 13 51.910 0.471 10.055 75 HA ALA 13 HA ALA 13 52.157 3.184 10.472 76 1HB ALA 13 HB1 ALA 13 51.685 1.237 12.735 77 2HB ALA 13 HB2 ALA 13 50.528 1.419 11.418 78 3HB ALA 13 HB3 ALA 13 50.903 2.793 12.458 79 H ASN 14 HN ASN 14 54.354 0.707 11.627 80 HA ASN 14 HA ASN 14 55.668 2.505 13.557 81 1HB ASN 14 HB2 ASN 14 55.330 -0.270 13.118 82 2HB ASN 14 HB1 ASN 14 57.059 0.047 12.978 83 1HD2 ASN 14 HD2 ASN 14 56.064 -1.416 15.196 84 2HD2 ASN 14 HD2 ASN 14 56.242 -0.476 16.598 85 H SER 15 HN SER 15 55.779 2.709 10.337 86 HA SER 15 HA SER 15 58.773 2.872 10.234 87 1HB SER 15 HB2 SER 15 58.562 1.742 8.270 88 2HB SER 15 HB1 SER 15 56.830 1.639 8.574 89 HG SER 15 HG SER 15 57.851 2.843 6.610 90 H LYS 16 HN LYS 16 58.991 4.517 7.973 91 HA LYS 16 HA LYS 16 57.807 7.082 8.995 92 1HB LYS 16 HB2 LYS 16 60.357 6.594 9.040 93 2HB LYS 16 HB1 LYS 16 60.284 6.796 7.288 94 1HG LYS 16 HG2 LYS 16 60.357 9.027 7.560 95 2HG LYS 16 HG1 LYS 16 58.826 8.951 8.432 96 1HD LYS 16 HD2 LYS 16 60.410 8.157 10.423 97 2HD LYS 16 HD1 LYS 16 61.614 9.061 9.502 98 1HE LYS 16 HE2 LYS 16 60.728 11.047 10.155 99 2HE LYS 16 HE1 LYS 16 59.090 10.526 9.713 100 1HZ LYS 16 HZ1 LYS 16 59.415 8.987 11.784 101 2HZ LYS 16 HZ2 LYS 16 58.899 10.595 11.979 102 3HZ LYS 16 HZ3 LYS 16 60.525 10.183 12.252 103 H CYS 17 HN CYS 17 56.918 8.502 7.447 104 HA CYS 17 HA CYS 17 56.562 7.346 4.699 105 1HB CYS 17 HB2 CYS 17 54.319 8.557 4.868 106 2HB CYS 17 HB1 CYS 17 54.515 7.173 5.942 107 H GLU 18 HN GLU 18 58.610 8.801 4.365 108 HA GLU 18 HA GLU 18 58.069 11.706 4.357 109 1HB GLU 18 HB2 GLU 18 60.287 10.050 4.544 110 2HB GLU 18 HB1 GLU 18 60.418 10.709 2.913 111 1HG GLU 18 HG2 GLU 18 61.460 12.415 4.058 112 2HG GLU 18 HG1 GLU 18 59.793 12.973 4.208 113 H LYS 19 HN LYS 19 57.508 12.900 2.533 114 HA LYS 19 HA LYS 19 56.968 13.360 0.268 115 1HB LYS 19 HB2 LYS 19 59.141 11.702 0.218 116 2HB LYS 19 HB1 LYS 19 57.968 10.737 -0.679 117 1HG LYS 19 HG2 LYS 19 57.524 12.677 -2.158 118 2HG LYS 19 HG1 LYS 19 58.735 13.610 -1.278 119 1HD LYS 19 HD2 LYS 19 60.377 12.706 -2.520 120 2HD LYS 19 HD1 LYS 19 59.875 11.084 -2.041 121 1HE LYS 19 HE2 LYS 19 58.605 10.766 -3.953 122 2HE LYS 19 HE1 LYS 19 58.240 12.495 -4.121 123 1HZ LYS 19 HZ1 LYS 19 59.872 12.394 -5.661 124 2HZ LYS 19 HZ2 LYS 19 60.586 11.005 -4.988 125 3HZ LYS 19 HZ3 LYS 19 60.889 12.533 -4.311 126 H SER 20 HN SER 20 55.827 11.902 -1.683 127 HA SER 20 HA SER 20 53.416 10.779 -0.369 128 1HB SER 20 HB2 SER 20 53.832 11.111 -3.327 129 2HB SER 20 HB1 SER 20 52.363 11.334 -2.383 130 HG SER 20 HG SER 20 52.941 13.364 -2.520 131 H THR 21 HN THR 21 52.428 8.848 -1.719 132 HA THR 21 HA THR 21 54.477 6.963 -2.735 133 HB THR 21 HB THR 21 52.780 6.527 -0.255 134 HG1 THR 21 HG1 THR 21 54.730 6.492 0.767 135 1HG2 THR 21 HG21 THR 21 54.529 4.400 -0.475 136 2HG2 THR 21 HG22 THR 21 54.013 4.651 -2.142 137 3HG2 THR 21 HG23 THR 21 52.814 4.353 -0.883 138 H LEU 22 HN LEU 22 53.528 5.278 -3.999 139 HA LEU 22 HA LEU 22 50.966 5.880 -5.195 140 1HB LEU 22 HB2 LEU 22 53.185 4.623 -5.989 141 2HB LEU 22 HB1 LEU 22 52.287 3.206 -5.443 142 HG LEU 22 HG LEU 22 50.370 3.909 -6.869 143 1HD1 LEU 22 HD1 LEU 22 51.364 5.647 -8.708 144 2HD1 LEU 22 HD1 LEU 22 52.167 6.235 -7.252 145 3HD1 LEU 22 HD1 LEU 22 50.407 6.151 -7.315 146 1HD2 LEU 22 HD2 LEU 22 53.071 3.218 -7.892 147 2HD2 LEU 22 HD2 LEU 22 51.902 3.752 -9.099 148 3HD2 LEU 22 HD2 LEU 22 51.544 2.358 -8.081 149 H THR 23 HN THR 23 50.370 2.860 -5.315 150 HA THR 23 HA THR 23 49.163 2.531 -2.591 151 HB THR 23 HB THR 23 47.052 1.943 -3.705 152 HG1 THR 23 HG1 THR 23 47.125 1.385 -5.709 153 1HG2 THR 23 HG21 THR 23 48.046 4.450 -3.426 154 2HG2 THR 23 HG22 THR 23 46.424 4.116 -4.033 155 3HG2 THR 23 HG23 THR 23 47.742 4.431 -5.163 156 H ASN 24 HN ASN 24 51.506 1.193 -3.661 157 HA ASN 24 HA ASN 24 50.522 -1.608 -3.530 158 1HB ASN 24 HB2 ASN 24 50.689 -0.678 -5.943 159 2HB ASN 24 HB1 ASN 24 52.434 -0.739 -5.698 160 1HD2 ASN 24 HD2 ASN 24 52.168 -2.437 -7.548 161 2HD2 ASN 24 HD2 ASN 24 51.875 -4.039 -7.071 162 H CYS 25 HN CYS 25 51.752 -0.745 -1.401 163 HA CYS 25 HA CYS 25 54.456 -1.960 -1.503 164 1HB CYS 25 HB2 CYS 25 53.834 0.918 -0.778 165 2HB CYS 25 HB1 CYS 25 55.347 0.125 -0.343 166 H TYR 26 HN TYR 26 54.265 -3.410 0.148 167 HA TYR 26 HA TYR 26 52.757 -2.614 2.610 168 1HB TYR 26 HB2 TYR 26 53.661 -5.357 1.692 169 2HB TYR 26 HB1 TYR 26 52.428 -4.985 2.896 170 HD1 TYR 26 HD1 TYR 26 53.199 -5.184 -0.683 171 HD2 TYR 26 HD2 TYR 26 50.239 -4.070 2.223 172 HE1 TYR 26 HE1 TYR 26 51.470 -5.139 -2.460 173 HE2 TYR 26 HE2 TYR 26 48.510 -4.026 0.444 174 HH TYR 26 HH TYR 26 48.173 -5.087 -1.810 175 H VAL 27 HN VAL 27 54.516 -1.499 3.659 176 HA VAL 27 HA VAL 27 57.061 -2.964 4.042 177 HB VAL 27 HB VAL 27 56.151 -0.262 5.085 178 1HG1 VAL 27 HG11 VAL 27 58.865 -0.247 4.349 179 2HG1 VAL 27 HG12 VAL 27 58.612 -1.782 5.178 180 3HG1 VAL 27 HG13 VAL 27 58.202 -0.273 5.986 181 1HG2 VAL 27 HG21 VAL 27 56.085 0.480 2.959 182 2HG2 VAL 27 HG22 VAL 27 56.510 -1.124 2.361 183 3HG2 VAL 27 HG23 VAL 27 57.780 0.027 2.776 184 H ASP 28 HN ASP 28 57.935 -2.996 6.351 185 HA ASP 28 HA ASP 28 55.870 -3.087 8.487 186 1HB ASP 28 HB2 ASP 28 56.569 -5.329 7.037 187 2HB ASP 28 HB1 ASP 28 57.666 -5.424 8.416 188 H LYS 29 HN LYS 29 56.799 -1.985 10.196 189 HA LYS 29 HA LYS 29 58.509 -0.980 11.510 190 1HB LYS 29 HB2 LYS 29 58.613 -3.842 11.431 191 2HB LYS 29 HB1 LYS 29 60.269 -3.242 11.532 192 1HG LYS 29 HG2 LYS 29 59.981 -2.432 13.639 193 2HG LYS 29 HG1 LYS 29 58.350 -1.857 13.297 194 1HD LYS 29 HD2 LYS 29 58.461 -3.752 14.971 195 2HD LYS 29 HD1 LYS 29 57.428 -4.067 13.576 196 1HE LYS 29 HE2 LYS 29 58.748 -5.780 12.862 197 2HE LYS 29 HE1 LYS 29 60.236 -4.859 13.153 198 1HZ LYS 29 HZ1 LYS 29 60.278 -6.513 14.779 199 2HZ LYS 29 HZ2 LYS 29 58.612 -6.392 15.093 200 3HZ LYS 29 HZ3 LYS 29 59.670 -5.163 15.607 201 H SER 30 HN SER 30 58.918 0.095 9.140 202 HA SER 30 HA SER 30 61.828 -0.337 8.521 203 1HB SER 30 HB2 SER 30 59.761 0.492 6.506 204 2HB SER 30 HB1 SER 30 61.307 -0.311 6.229 205 HG SER 30 HG SER 30 60.355 -2.164 6.515 206 H GLU 31 HN GLU 31 62.411 1.644 6.909 207 HA GLU 31 HA GLU 31 61.206 4.183 7.902 208 1HB GLU 31 HB2 GLU 31 63.696 3.005 8.743 209 2HB GLU 31 HB1 GLU 31 64.032 4.504 7.876 210 1HG GLU 31 HG2 GLU 31 63.605 5.467 9.902 211 2HG GLU 31 HG1 GLU 31 61.922 5.283 9.409 212 H VAL 32 HN VAL 32 60.536 4.903 5.825 213 HA VAL 32 HA VAL 32 62.676 4.924 3.724 214 HB VAL 32 HB VAL 32 60.960 4.590 2.111 215 1HG1 VAL 32 HG11 VAL 32 60.349 2.975 4.604 216 2HG1 VAL 32 HG12 VAL 32 61.446 2.538 3.291 217 3HG1 VAL 32 HG13 VAL 32 59.708 2.599 3.004 218 1HG2 VAL 32 HG21 VAL 32 59.348 6.223 2.907 219 2HG2 VAL 32 HG22 VAL 32 59.018 5.256 4.346 220 3HG2 VAL 32 HG23 VAL 32 58.534 4.665 2.755 221 H TYR 33 HN TYR 33 63.189 6.870 2.853 222 HA TYR 33 HA TYR 33 61.847 9.287 3.944 223 1HB TYR 33 HB2 TYR 33 64.491 8.639 2.636 224 2HB TYR 33 HB1 TYR 33 63.973 10.306 2.838 225 HD1 TYR 33 HD1 TYR 33 65.173 11.267 4.574 226 HD2 TYR 33 HD2 TYR 33 63.640 7.282 5.056 227 HE1 TYR 33 HE1 TYR 33 65.966 11.241 6.923 228 HE2 TYR 33 HE2 TYR 33 64.427 7.262 7.401 229 HH TYR 33 HH TYR 33 66.326 9.944 8.724 230 H GLY 34 HN GLY 34 63.088 10.634 1.379 231 1HA GLY 34 HA2 GLY 34 60.654 10.696 -0.133 232 2HA GLY 34 HA1 GLY 34 62.202 11.345 -0.673 233 H THR 35 HN THR 35 60.852 8.078 -0.028 234 HA THR 35 HA THR 35 62.357 7.035 -2.365 235 HB THR 35 HB THR 35 60.888 5.909 0.014 236 HG1 THR 35 HG1 THR 35 62.853 5.427 0.610 237 1HG2 THR 35 HG21 THR 35 60.280 4.592 -2.062 238 2HG2 THR 35 HG22 THR 35 61.133 3.669 -0.826 239 3HG2 THR 35 HG23 THR 35 61.996 4.238 -2.253 240 H THR 36 HN THR 36 61.168 5.634 -3.923 241 HA THR 36 HA THR 36 58.470 6.760 -4.515 242 HB THR 36 HB THR 36 58.962 6.130 -6.765 243 HG1 THR 36 HG1 THR 36 60.320 4.548 -7.262 244 1HG2 THR 36 HG21 THR 36 60.574 7.676 -7.024 245 2HG2 THR 36 HG22 THR 36 61.772 6.636 -6.253 246 3HG2 THR 36 HG23 THR 36 60.751 7.685 -5.269 247 H CYS 37 HN CYS 37 57.335 4.793 -6.005 248 HA CYS 37 HA CYS 37 57.492 2.151 -4.787 249 1HB CYS 37 HB2 CYS 37 55.935 4.240 -3.559 250 2HB CYS 37 HB1 CYS 37 54.845 2.989 -4.157 251 H THR 38 HN THR 38 56.459 0.668 -6.154 252 HA THR 38 HA THR 38 54.205 1.239 -7.826 253 HB THR 38 HB THR 38 55.656 2.808 -8.932 254 HG1 THR 38 HG1 THR 38 54.572 1.684 -10.454 255 1HG2 THR 38 HG21 THR 38 57.898 2.560 -9.110 256 2HG2 THR 38 HG22 THR 38 57.748 0.926 -9.753 257 3HG2 THR 38 HG23 THR 38 57.705 1.195 -8.012 258 H GLY 39 HN GLY 39 55.091 -0.986 -6.259 259 1HA GLY 39 HA2 GLY 39 54.447 -3.296 -7.092 260 2HA GLY 39 HA1 GLY 39 55.606 -3.023 -8.393 261 H SER 40 HN SER 40 55.980 -2.230 -4.945 262 HA SER 40 HA SER 40 58.188 -4.258 -4.803 263 1HB SER 40 HB2 SER 40 59.670 -2.607 -4.235 264 2HB SER 40 HB1 SER 40 58.509 -1.550 -5.036 265 HG SER 40 HG SER 40 58.972 -1.998 -2.310 266 H ARG 41 HN ARG 41 58.794 -4.601 -2.389 267 HA ARG 41 HA ARG 41 56.498 -4.185 -0.537 268 1HB ARG 41 HB2 ARG 41 55.885 -6.262 -1.422 269 2HB ARG 41 HB1 ARG 41 57.556 -6.754 -1.683 270 1HG ARG 41 HG2 ARG 41 56.414 -7.956 0.217 271 2HG ARG 41 HG1 ARG 41 57.889 -7.109 0.688 272 1HD ARG 41 HD2 ARG 41 56.755 -5.613 2.000 273 2HD ARG 41 HD1 ARG 41 55.407 -5.493 0.853 274 HE ARG 41 HE ARG 41 54.375 -7.352 1.915 275 1HH1 ARG 41 HH2 ARG 41 56.729 -9.187 1.940 276 2HH1 ARG 41 HH2 ARG 41 57.047 -9.356 3.634 277 1HH2 ARG 41 HH1 ARG 41 55.173 -6.583 4.534 278 2HH2 ARG 41 HH1 ARG 41 56.164 -7.884 5.101 279 H PHE 42 HN PHE 42 57.308 -3.641 1.471 280 HA PHE 42 HA PHE 42 60.212 -4.199 1.986 281 1HB PHE 42 HB2 PHE 42 58.247 -2.068 2.747 282 2HB PHE 42 HB1 PHE 42 59.653 -2.334 3.767 283 HD1 PHE 42 HD1 PHE 42 59.289 -2.562 0.044 284 HD2 PHE 42 HD2 PHE 42 61.108 -0.536 3.371 285 HE1 PHE 42 HE1 PHE 42 60.678 -1.240 -1.523 286 HE2 PHE 42 HE2 PHE 42 62.492 0.791 1.801 287 HZ PHE 42 HZ PHE 42 62.281 0.438 -0.646 288 H ASP 43 HN ASP 43 60.703 -4.470 4.412 289 HA ASP 43 HA ASP 43 58.651 -5.373 6.230 290 1HB ASP 43 HB2 ASP 43 58.877 -7.142 4.307 291 2HB ASP 43 HB1 ASP 43 60.353 -7.610 5.150 292 H GLY 44 HN GLY 44 60.138 -3.845 7.399 293 1HA GLY 44 HA2 GLY 44 61.654 -3.718 9.227 294 2HA GLY 44 HA1 GLY 44 62.198 -5.353 8.855 295 H VAL 45 HN VAL 45 62.260 -2.086 7.369 296 HA VAL 45 HA VAL 45 65.152 -2.500 6.797 297 HB VAL 45 HB VAL 45 62.867 -2.335 4.884 298 1HG1 VAL 45 HG11 VAL 45 65.038 -1.715 3.276 299 2HG1 VAL 45 HG12 VAL 45 65.272 -0.660 4.666 300 3HG1 VAL 45 HG13 VAL 45 63.762 -0.592 3.752 301 1HG2 VAL 45 HG21 VAL 45 65.354 -3.553 3.992 302 2HG2 VAL 45 HG22 VAL 45 63.766 -4.291 4.205 303 3HG2 VAL 45 HG23 VAL 45 64.873 -4.171 5.573 304 H THR 46 HN THR 46 66.295 -0.597 6.991 305 HA THR 46 HA THR 46 64.716 1.917 7.388 306 HB THR 46 HB THR 46 67.508 1.093 8.260 307 HG1 THR 46 HG1 THR 46 65.380 1.677 9.976 308 1HG2 THR 46 HG21 THR 46 67.870 3.228 8.907 309 2HG2 THR 46 HG22 THR 46 66.238 3.389 9.559 310 3HG2 THR 46 HG23 THR 46 66.531 3.648 7.838 311 H ILE 47 HN ILE 47 64.601 2.516 5.154 312 HA ILE 47 HA ILE 47 67.233 2.948 3.792 313 HB ILE 47 HB ILE 47 65.752 2.868 1.734 314 1HG1 ILE 47 HG12 ILE 47 63.567 1.535 3.131 315 2HG1 ILE 47 HG11 ILE 47 63.746 3.210 3.660 316 1HG2 ILE 47 HG21 ILE 47 65.053 0.322 2.445 317 2HG2 ILE 47 HG22 ILE 47 66.296 0.682 3.644 318 3HG2 ILE 47 HG23 ILE 47 66.670 0.795 1.923 319 1HD1 ILE 47 HD1 ILE 47 63.803 3.893 1.235 320 2HD1 ILE 47 HD1 ILE 47 62.267 3.200 1.747 321 3HD1 ILE 47 HD1 ILE 47 63.404 2.229 0.814 322 H THR 48 HN THR 48 67.103 4.863 2.181 323 HA THR 48 HA THR 48 65.641 7.140 3.480 324 HB THR 48 HB THR 48 68.248 6.857 3.544 325 HG1 THR 48 HG1 THR 48 68.087 8.867 4.058 326 1HG2 THR 48 HG21 THR 48 68.400 6.404 1.079 327 2HG2 THR 48 HG22 THR 48 69.421 7.739 1.618 328 3HG2 THR 48 HG23 THR 48 67.898 8.070 0.792 329 H THR 49 HN THR 49 66.166 9.039 1.474 330 HA THR 49 HA THR 49 64.057 8.680 -0.361 331 HB THR 49 HB THR 49 66.607 10.318 -0.437 332 HG1 THR 49 HG1 THR 49 65.391 11.133 1.112 333 1HG2 THR 49 HG21 THR 49 66.117 10.868 -2.561 334 2HG2 THR 49 HG22 THR 49 64.591 11.545 -1.988 335 3HG2 THR 49 HG23 THR 49 64.667 9.865 -2.523 336 H SER 50 HN SER 50 64.297 6.491 -1.236 337 HA SER 50 HA SER 50 66.406 6.351 -3.370 338 1HB SER 50 HB2 SER 50 65.358 4.202 -1.505 339 2HB SER 50 HB1 SER 50 66.472 3.901 -2.835 340 HG SER 50 HG SER 50 67.113 4.571 -0.425 341 H THR 51 HN THR 51 65.750 5.436 -5.329 342 HA THR 51 HA THR 51 62.802 5.183 -5.692 343 HB THR 51 HB THR 51 65.115 5.441 -7.647 344 HG1 THR 51 HG1 THR 51 63.331 7.492 -7.425 345 1HG2 THR 51 HG21 THR 51 63.124 6.186 -9.142 346 2HG2 THR 51 HG22 THR 51 62.121 5.336 -7.965 347 3HG2 THR 51 HG23 THR 51 63.361 4.460 -8.866 348 H SER 52 HN SER 52 63.927 3.015 -4.369 349 HA SER 52 HA SER 52 64.270 0.917 -6.480 350 1HB SER 52 HB2 SER 52 65.990 1.501 -4.588 351 2HB SER 52 HB1 SER 52 64.877 0.623 -3.543 352 HG SER 52 HG SER 52 66.311 -0.289 -5.802 353 H THR 53 HN THR 53 62.116 0.286 -6.861 354 HA THR 53 HA THR 53 60.745 -1.027 -4.564 355 HB THR 53 HB THR 53 58.690 0.203 -5.952 356 HG1 THR 53 HG1 THR 53 60.466 1.401 -6.996 357 1HG2 THR 53 HG21 THR 53 58.342 0.504 -3.741 358 2HG2 THR 53 HG22 THR 53 59.308 1.970 -3.904 359 3HG2 THR 53 HG23 THR 53 60.070 0.466 -3.388 360 H GLY 54 HN GLY 54 60.998 -3.084 -5.469 361 1HA GLY 54 HA2 GLY 54 59.237 -3.759 -7.698 362 2HA GLY 54 HA1 GLY 54 60.951 -3.953 -8.081 363 H SER 55 HN SER 55 61.992 -4.883 -5.727 364 HA SER 55 HA SER 55 60.712 -7.565 -5.503 365 1HB SER 55 HB2 SER 55 62.896 -8.056 -5.901 366 2HB SER 55 HB1 SER 55 63.403 -6.410 -5.542 367 HG SER 55 HG SER 55 64.217 -7.391 -3.846 368 H ARG 56 HN ARG 56 61.642 -8.394 -3.062 369 HA ARG 56 HA ARG 56 60.030 -6.766 -1.193 370 1HB ARG 56 HB2 ARG 56 61.129 -9.525 -1.412 371 2HB ARG 56 HB1 ARG 56 60.889 -8.902 0.221 372 1HG ARG 56 HG2 ARG 56 58.672 -9.241 0.056 373 2HG ARG 56 HG1 ARG 56 58.606 -8.224 -1.383 374 1HD ARG 56 HD2 ARG 56 57.829 -10.349 -2.130 375 2HD ARG 56 HD1 ARG 56 59.528 -10.310 -2.642 376 HE ARG 56 HE ARG 56 60.084 -11.656 -0.648 377 1HH1 ARG 56 HH2 ARG 56 57.131 -10.699 0.277 378 2HH1 ARG 56 HH2 ARG 56 56.426 -12.269 0.475 379 1HH2 ARG 56 HH1 ARG 56 59.024 -13.924 -1.121 380 2HH2 ARG 56 HH1 ARG 56 57.501 -14.097 -0.314 381 H ILE 57 HN ILE 57 60.944 -5.657 0.571 382 HA ILE 57 HA ILE 57 63.941 -5.618 0.677 383 HB ILE 57 HB ILE 57 61.763 -3.587 1.168 384 1HG1 ILE 57 HG12 ILE 57 62.979 -4.108 -1.117 385 2HG1 ILE 57 HG11 ILE 57 62.698 -2.437 -0.634 386 1HG2 ILE 57 HG21 ILE 57 63.920 -2.135 1.724 387 2HG2 ILE 57 HG22 ILE 57 64.536 -3.697 2.267 388 3HG2 ILE 57 HG23 ILE 57 63.067 -3.028 2.982 389 1HD1 ILE 57 HD1 ILE 57 65.217 -3.594 0.383 390 2HD1 ILE 57 HD1 ILE 57 64.919 -2.017 -0.349 391 3HD1 ILE 57 HD1 ILE 57 65.141 -3.437 -1.372 392 H SER 58 HN SER 58 64.834 -6.417 2.539 393 HA SER 58 HA SER 58 63.303 -6.251 5.092 394 1HB SER 58 HB2 SER 58 63.226 -8.491 3.542 395 2HB SER 58 HB1 SER 58 64.658 -8.829 4.513 396 HG SER 58 HG SER 58 63.459 -8.803 6.313 397 H GLY 59 HN GLY 59 64.716 -6.368 6.965 398 1HA GLY 59 HA2 GLY 59 67.419 -7.050 7.044 399 2HA GLY 59 HA1 GLY 59 67.401 -5.376 6.487 400 HA PRO 60 HA PRO 60 66.064 -5.771 11.100 401 1HB PRO 60 HB2 PRO 60 68.073 -7.036 12.465 402 2HB PRO 60 HB1 PRO 60 66.642 -7.886 11.847 403 1HG PRO 60 HG2 PRO 60 69.391 -7.739 10.715 404 2HG PRO 60 HG1 PRO 60 68.266 -9.104 10.776 405 1HD PRO 60 HD2 PRO 60 68.681 -7.601 8.538 406 2HD PRO 60 HD1 PRO 60 67.156 -8.447 8.884 407 H GLY 61 HN GLY 61 68.714 -4.885 9.261 408 1HA GLY 61 HA2 GLY 61 69.225 -2.507 10.822 409 2HA GLY 61 HA1 GLY 61 70.567 -3.651 10.921 410 H CYS 62 HN CYS 62 68.517 -3.389 8.080 411 HA CYS 62 HA CYS 62 70.800 -3.016 6.338 412 1HB CYS 62 HB2 CYS 62 68.901 -4.243 5.575 413 2HB CYS 62 HB1 CYS 62 67.789 -2.963 6.057 414 H LYS 63 HN LYS 63 71.266 -1.177 5.031 415 HA LYS 63 HA LYS 63 69.906 1.390 5.680 416 1HB LYS 63 HB2 LYS 63 72.494 0.471 6.617 417 2HB LYS 63 HB1 LYS 63 72.671 1.931 5.642 418 1HG LYS 63 HG2 LYS 63 71.992 3.127 7.422 419 2HG LYS 63 HG1 LYS 63 70.407 2.371 7.261 420 1HD LYS 63 HD2 LYS 63 70.828 0.809 8.913 421 2HD LYS 63 HD1 LYS 63 72.569 0.827 8.635 422 1HE LYS 63 HE2 LYS 63 72.731 3.060 9.677 423 2HE LYS 63 HE1 LYS 63 70.976 3.064 9.943 424 1HZ LYS 63 HZ1 LYS 63 71.100 1.354 11.451 425 2HZ LYS 63 HZ2 LYS 63 72.556 2.163 11.789 426 3HZ LYS 63 HZ3 LYS 63 72.565 0.757 10.836 427 H ILE 64 HN ILE 64 69.263 1.922 3.594 428 HA ILE 64 HA ILE 64 71.140 1.427 1.333 429 HB ILE 64 HB ILE 64 68.558 0.848 1.601 430 1HG1 ILE 64 HG12 ILE 64 69.153 2.071 -1.041 431 2HG1 ILE 64 HG11 ILE 64 70.273 0.830 -0.472 432 1HG2 ILE 64 HG21 ILE 64 68.528 3.690 0.546 433 2HG2 ILE 64 HG22 ILE 64 67.823 3.138 2.064 434 3HG2 ILE 64 HG23 ILE 64 67.150 2.590 0.529 435 1HD1 ILE 64 HD1 ILE 64 67.998 -0.432 0.113 436 2HD1 ILE 64 HD1 ILE 64 68.706 -0.520 -1.501 437 3HD1 ILE 64 HD1 ILE 64 67.381 0.599 -1.179 438 H SER 65 HN SER 65 70.953 3.327 -0.413 439 HA SER 65 HA SER 65 70.779 6.003 0.860 440 1HB SER 65 HB2 SER 65 73.154 4.586 0.799 441 2HB SER 65 HB1 SER 65 73.276 5.608 -0.630 442 HG SER 65 HG SER 65 74.039 6.709 1.191 443 H THR 66 HN THR 66 68.972 5.881 -0.835 444 HA THR 66 HA THR 66 68.140 6.616 -2.917 445 HB THR 66 HB THR 66 70.796 7.648 -3.723 446 HG1 THR 66 HG1 THR 66 69.612 8.969 -1.591 447 1HG2 THR 66 HG21 THR 66 68.328 9.248 -3.113 448 2HG2 THR 66 HG22 THR 66 68.377 8.230 -4.552 449 3HG2 THR 66 HG23 THR 66 69.557 9.524 -4.348 450 H CYS 67 HN CYS 67 68.236 4.155 -3.400 451 HA CYS 67 HA CYS 67 70.350 3.470 -5.391 452 1HB CYS 67 HB2 CYS 67 68.264 1.887 -3.862 453 2HB CYS 67 HB1 CYS 67 69.347 1.169 -5.056 454 H ILE 68 HN ILE 68 69.262 1.870 -7.158 455 HA ILE 68 HA ILE 68 67.302 3.555 -8.590 456 HB ILE 68 HB ILE 68 69.475 2.437 -9.467 457 1HG1 ILE 68 HG12 ILE 68 67.415 1.615 -11.367 458 2HG1 ILE 68 HG11 ILE 68 67.089 3.210 -10.684 459 1HG2 ILE 68 HG21 ILE 68 67.887 0.088 -10.252 460 2HG2 ILE 68 HG22 ILE 68 68.254 0.153 -8.528 461 3HG2 ILE 68 HG23 ILE 68 69.563 0.183 -9.710 462 1HD1 ILE 68 HD1 ILE 68 68.553 3.964 -12.246 463 2HD1 ILE 68 HD1 ILE 68 69.230 2.358 -12.515 464 3HD1 ILE 68 HD1 ILE 68 69.794 3.339 -11.162 465 H ILE 69 HN ILE 69 65.683 2.037 -9.956 466 HA ILE 69 HA ILE 69 63.643 1.117 -8.269 467 HB ILE 69 HB ILE 69 63.001 -0.204 -10.404 468 1HG1 ILE 69 HG12 ILE 69 65.245 1.390 -11.631 469 2HG1 ILE 69 HG11 ILE 69 65.527 -0.254 -11.058 470 1HG2 ILE 69 HG21 ILE 69 63.326 2.700 -9.969 471 2HG2 ILE 69 HG22 ILE 69 61.893 1.786 -10.441 472 3HG2 ILE 69 HG23 ILE 69 63.098 2.227 -11.652 473 1HD1 ILE 69 HD1 ILE 69 64.161 -1.196 -12.667 474 2HD1 ILE 69 HD1 ILE 69 64.722 0.220 -13.556 475 3HD1 ILE 69 HD1 ILE 69 63.136 0.234 -12.785 476 H THR 70 HN THR 70 62.870 -1.392 -8.657 477 HA THR 70 HA THR 70 65.177 -3.193 -8.066 478 HB THR 70 HB THR 70 62.712 -3.328 -6.377 479 HG1 THR 70 HG1 THR 70 64.790 -1.627 -5.615 480 1HG2 THR 70 HG21 THR 70 65.436 -3.440 -5.236 481 2HG2 THR 70 HG22 THR 70 65.070 -4.699 -6.415 482 3HG2 THR 70 HG23 THR 70 64.061 -4.517 -4.980 483 H GLY 71 HN GLY 71 63.239 -5.266 -7.177 484 1HA GLY 71 HA2 GLY 71 61.315 -6.451 -8.241 485 2HA GLY 71 HA1 GLY 71 61.907 -5.855 -9.793 486 H GLY 72 HN GLY 72 63.949 -7.105 -7.211 487 1HA GLY 72 HA2 GLY 72 65.168 -9.128 -7.076 488 2HA GLY 72 HA1 GLY 72 64.269 -9.721 -8.478 489 H VAL 73 HN VAL 73 65.975 -6.648 -8.353 490 HA VAL 73 HA VAL 73 67.842 -7.695 -10.459 491 HB VAL 73 HB VAL 73 67.758 -5.286 -11.228 492 1HG1 VAL 73 HG11 VAL 73 66.355 -6.523 -12.556 493 2HG1 VAL 73 HG12 VAL 73 65.129 -5.552 -11.740 494 3HG1 VAL 73 HG13 VAL 73 65.475 -7.189 -11.180 495 1HG2 VAL 73 HG21 VAL 73 66.748 -4.797 -8.737 496 2HG2 VAL 73 HG22 VAL 73 65.267 -4.863 -9.690 497 3HG2 VAL 73 HG23 VAL 73 66.533 -3.710 -10.110 498 HA PRO 74 HA PRO 74 70.591 -6.434 -7.063 499 1HB PRO 74 HB2 PRO 74 72.479 -8.339 -7.565 500 2HB PRO 74 HB1 PRO 74 71.020 -8.657 -6.609 501 1HG PRO 74 HG2 PRO 74 71.654 -9.413 -9.396 502 2HG PRO 74 HG1 PRO 74 70.660 -10.247 -8.195 503 1HD PRO 74 HD2 PRO 74 69.706 -8.712 -10.316 504 2HD PRO 74 HD1 PRO 74 68.773 -9.201 -8.885 505 H ALA 75 HN ALA 75 71.849 -7.580 -10.225 506 HA ALA 75 HA ALA 75 74.248 -6.306 -10.475 507 1HB ALA 75 HB1 ALA 75 72.608 -5.770 -12.817 508 2HB ALA 75 HB2 ALA 75 72.284 -7.375 -12.162 509 3HB ALA 75 HB3 ALA 75 73.926 -6.925 -12.622 510 HA PRO 76 HA PRO 76 72.291 -2.094 -11.546 511 1HB PRO 76 HB2 PRO 76 69.594 -1.789 -11.227 512 2HB PRO 76 HB1 PRO 76 70.327 -2.362 -12.738 513 1HG PRO 76 HG2 PRO 76 68.966 -3.897 -10.593 514 2HG PRO 76 HG1 PRO 76 68.963 -4.152 -12.345 515 1HD PRO 76 HD2 PRO 76 70.466 -5.611 -10.562 516 2HD PRO 76 HD1 PRO 76 70.854 -5.422 -12.286 517 H SER 77 HN SER 77 71.680 -0.261 -10.131 518 HA SER 77 HA SER 77 71.301 0.784 -8.040 519 1HB SER 77 HB2 SER 77 69.810 -1.615 -7.981 520 2HB SER 77 HB1 SER 77 70.703 -1.571 -6.463 521 HG SER 77 HG SER 77 68.822 -0.433 -6.176 522 H ALA 78 HN ALA 78 73.536 -1.677 -8.681 523 HA ALA 78 HA ALA 78 74.822 -1.896 -6.102 524 1HB ALA 78 HB1 ALA 78 76.108 -2.150 -8.832 525 2HB ALA 78 HB2 ALA 78 74.995 -3.371 -8.214 526 3HB ALA 78 HB3 ALA 78 76.502 -3.038 -7.361 527 H ALA 79 HN ALA 79 74.491 0.666 -8.271 528 HA ALA 79 HA ALA 79 77.099 1.928 -7.918 529 1HB ALA 79 HB1 ALA 79 75.932 2.408 -9.918 530 2HB ALA 79 HB2 ALA 79 75.656 3.851 -8.942 531 3HB ALA 79 HB3 ALA 79 74.398 2.619 -9.073 532 H CYS 80 HN CYS 80 73.889 2.145 -6.428 533 HA CYS 80 HA CYS 80 74.468 4.512 -4.844 534 1HB CYS 80 HB2 CYS 80 72.308 4.030 -3.889 535 2HB CYS 80 HB1 CYS 80 72.211 3.571 -5.588 536 H LYS 81 HN LYS 81 73.656 3.690 -2.269 537 HA LYS 81 HA LYS 81 75.952 1.936 -1.469 538 1HB LYS 81 HB2 LYS 81 74.867 4.525 -0.556 539 2HB LYS 81 HB1 LYS 81 75.274 3.405 0.745 540 1HG LYS 81 HG2 LYS 81 77.209 4.834 0.113 541 2HG LYS 81 HG1 LYS 81 77.531 3.121 -0.160 542 1HD LYS 81 HD2 LYS 81 76.289 4.379 -2.482 543 2HD LYS 81 HD1 LYS 81 77.810 5.155 -2.043 544 1HE LYS 81 HE2 LYS 81 77.707 2.153 -2.102 545 2HE LYS 81 HE1 LYS 81 77.839 3.041 -3.635 546 1HZ LYS 81 HZ1 LYS 81 79.638 3.164 -1.285 547 2HZ LYS 81 HZ2 LYS 81 79.617 4.391 -2.461 548 3HZ LYS 81 HZ3 LYS 81 80.037 2.803 -2.895 549 H ILE 82 HN ILE 82 75.412 0.086 -0.402 550 HA ILE 82 HA ILE 82 72.802 -0.081 1.037 551 HB ILE 82 HB ILE 82 72.671 -0.846 -1.386 552 1HG1 ILE 82 HG12 ILE 82 71.966 -3.335 -0.411 553 2HG1 ILE 82 HG11 ILE 82 71.904 -2.323 1.033 554 1HG2 ILE 82 HG21 ILE 82 73.948 -3.410 -0.780 555 2HG2 ILE 82 HG22 ILE 82 75.088 -2.064 -0.772 556 3HG2 ILE 82 HG23 ILE 82 74.112 -2.385 -2.206 557 1HD1 ILE 82 HD1 ILE 82 70.733 -1.020 -1.317 558 2HD1 ILE 82 HD1 ILE 82 70.068 -1.217 0.305 559 3HD1 ILE 82 HD1 ILE 82 69.906 -2.515 -0.877 560 H SER 83 HN SER 83 72.897 -1.566 2.819 561 HA SER 83 HA SER 83 75.278 -3.290 3.125 562 1HB SER 83 HB2 SER 83 75.661 -0.775 3.817 563 2HB SER 83 HB1 SER 83 74.762 -1.239 5.258 564 HG SER 83 HG SER 83 77.312 -1.733 4.631 565 H GLY 84 HN GLY 84 74.805 -5.037 4.402 566 1HA GLY 84 HA2 GLY 84 73.504 -6.527 5.661 567 2HA GLY 84 HA1 GLY 84 73.184 -5.131 6.688 568 H CYS 85 HN CYS 85 72.148 -6.296 3.445 569 HA CYS 85 HA CYS 85 69.337 -5.727 4.314 570 1HB CYS 85 HB2 CYS 85 70.582 -5.049 1.634 571 2HB CYS 85 HB1 CYS 85 68.948 -4.658 2.167 572 H THR 86 HN THR 86 67.748 -6.773 2.791 573 HA THR 86 HA THR 86 68.784 -9.204 1.400 574 HB THR 86 HB THR 86 66.360 -9.427 3.134 575 HG1 THR 86 HG1 THR 86 69.007 -9.488 4.143 576 1HG2 THR 86 HG21 THR 86 67.346 -11.678 3.522 577 2HG2 THR 86 HG22 THR 86 68.723 -11.220 2.518 578 3HG2 THR 86 HG23 THR 86 67.112 -11.333 1.809 579 H PHE 87 HN PHE 87 67.828 -9.209 -0.626 580 HA PHE 87 HA PHE 87 65.112 -7.965 -0.850 581 1HB PHE 87 HB2 PHE 87 67.311 -7.912 -2.922 582 2HB PHE 87 HB1 PHE 87 65.825 -6.965 -2.916 583 HD1 PHE 87 HD1 PHE 87 69.081 -6.402 -2.699 584 HD2 PHE 87 HD2 PHE 87 65.639 -5.998 -0.151 585 HE1 PHE 87 HE1 PHE 87 70.229 -4.609 -1.428 586 HE2 PHE 87 HE2 PHE 87 66.796 -4.210 1.117 587 HZ PHE 87 HZ PHE 87 69.085 -3.514 0.475 588 H SER 88 HN SER 88 63.818 -8.775 -2.647 589 HA SER 88 HA SER 88 64.599 -11.165 -4.127 590 1HB SER 88 HB2 SER 88 63.401 -12.763 -2.892 591 2HB SER 88 HB1 SER 88 64.039 -11.740 -1.609 592 HG SER 88 HG SER 88 61.618 -12.304 -1.811 593 H ALA 89 HN ALA 89 63.403 -11.057 -6.008 594 HA ALA 89 HA ALA 89 61.721 -9.122 -6.884 595 1HB ALA 89 HB1 ALA 89 62.420 -10.991 -8.251 596 2HB ALA 89 HB2 ALA 89 60.660 -10.915 -8.300 597 3HB ALA 89 HB3 ALA 89 61.463 -12.114 -7.285 598 H ASN 90 HN ASN 90 59.574 -8.489 -6.660 599 HA ASN 90 HA ASN 90 57.829 -10.081 -4.822 600 1HB ASN 90 HB2 ASN 90 58.691 -8.453 -3.377 601 2HB ASN 90 HB1 ASN 90 58.831 -7.251 -4.659 602 1HD2 ASN 90 HD2 ASN 90 56.090 -9.209 -3.329 603 2HD2 ASN 90 HD2 ASN 90 55.048 -7.881 -3.153 Start of MODEL 10 1 1H ASP 1 HT1 ASP 1 44.802 10.259 1.730 2 2H ASP 1 HT2 ASP 1 43.979 9.056 2.602 3 3H ASP 1 HT3 ASP 1 44.718 8.679 1.120 4 HA ASP 1 HA ASP 1 46.561 8.091 2.205 5 1HB ASP 1 HB2 ASP 1 47.849 9.989 3.167 6 2HB ASP 1 HB1 ASP 1 47.119 10.422 1.621 7 H GLY 2 HN GLY 2 47.669 8.528 4.656 8 1HA GLY 2 HA2 GLY 2 45.576 8.470 6.726 9 2HA GLY 2 HA1 GLY 2 46.439 6.950 6.487 10 H SER 3 HN SER 3 46.405 9.140 8.690 11 HA SER 3 HA SER 3 47.996 10.179 10.110 12 1HB SER 3 HB2 SER 3 48.464 7.914 10.649 13 2HB SER 3 HB1 SER 3 49.229 7.616 9.091 14 HG SER 3 HG SER 3 50.302 9.619 10.707 15 H CYS 4 HN CYS 4 50.601 8.850 8.192 16 HA CYS 4 HA CYS 4 51.135 11.573 7.050 17 1HB CYS 4 HB2 CYS 4 52.463 10.794 9.129 18 2HB CYS 4 HB1 CYS 4 53.245 9.647 8.040 19 H THR 5 HN THR 5 52.393 8.212 6.844 20 HA THR 5 HA THR 5 52.198 8.452 3.858 21 HB THR 5 HB THR 5 54.349 7.278 5.642 22 HG1 THR 5 HG1 THR 5 54.029 9.512 4.033 23 1HG2 THR 5 HG21 THR 5 55.327 7.014 3.129 24 2HG2 THR 5 HG22 THR 5 53.618 6.706 2.828 25 3HG2 THR 5 HG23 THR 5 54.504 5.714 3.985 26 H ASN 6 HN ASN 6 50.011 7.394 4.882 27 HA ASN 6 HA ASN 6 50.365 4.434 4.601 28 1HB ASN 6 HB2 ASN 6 49.362 6.068 6.817 29 2HB ASN 6 HB1 ASN 6 48.207 4.834 6.319 30 1HD2 ASN 6 HD2 ASN 6 50.132 2.827 5.476 31 2HD2 ASN 6 HD2 ASN 6 50.932 2.274 6.864 32 H THR 7 HN THR 7 49.709 5.461 2.316 33 HA THR 7 HA THR 7 46.753 5.836 2.143 34 HB THR 7 HB THR 7 48.319 7.507 1.161 35 HG1 THR 7 HG1 THR 7 47.264 7.600 -0.793 36 1HG2 THR 7 HG21 THR 7 49.685 5.178 0.333 37 2HG2 THR 7 HG22 THR 7 50.128 6.853 0.001 38 3HG2 THR 7 HG23 THR 7 49.118 5.965 -1.140 39 H ASN 8 HN ASN 8 47.150 5.039 -0.808 40 HA ASN 8 HA ASN 8 45.972 2.560 -0.928 41 1HB ASN 8 HB2 ASN 8 46.956 4.302 -2.704 42 2HB ASN 8 HB1 ASN 8 48.240 3.095 -2.800 43 1HD2 ASN 8 HD2 ASN 8 46.599 0.753 -2.320 44 2HD2 ASN 8 HD2 ASN 8 45.587 0.550 -3.667 45 H SER 9 HN SER 9 49.297 3.185 0.013 46 HA SER 9 HA SER 9 49.887 0.254 -0.072 47 1HB SER 9 HB2 SER 9 52.232 1.508 0.502 48 2HB SER 9 HB1 SER 9 51.654 1.244 -1.141 49 HG SER 9 HG SER 9 51.150 3.535 0.465 50 H GLN 10 HN GLN 10 51.097 -0.609 1.822 51 HA GLN 10 HA GLN 10 50.159 0.649 4.373 52 1HB GLN 10 HB2 GLN 10 50.182 -2.000 3.241 53 2HB GLN 10 HB1 GLN 10 51.140 -2.003 4.721 54 1HG GLN 10 HG2 GLN 10 48.993 -0.509 5.505 55 2HG GLN 10 HG1 GLN 10 48.231 -1.616 4.360 56 1HE2 GLN 10 HE21 GLN 10 49.619 -1.364 7.540 57 2HE2 GLN 10 HE22 GLN 10 49.467 -3.001 7.962 58 H LEU 11 HN LEU 11 51.831 1.939 5.107 59 HA LEU 11 HA LEU 11 54.648 1.136 4.743 60 1HB LEU 11 HB2 LEU 11 53.738 3.466 4.457 61 2HB LEU 11 HB1 LEU 11 53.391 3.491 6.186 62 HG LEU 11 HG LEU 11 55.982 2.718 6.261 63 1HD1 LEU 11 HD1 LEU 11 55.530 3.592 3.564 64 2HD1 LEU 11 HD1 LEU 11 57.037 3.045 4.300 65 3HD1 LEU 11 HD1 LEU 11 56.592 4.751 4.363 66 1HD2 LEU 11 HD2 LEU 11 54.706 5.448 6.165 67 2HD2 LEU 11 HD2 LEU 11 56.441 5.276 6.438 68 3HD2 LEU 11 HD2 LEU 11 55.294 4.555 7.567 69 H SER 12 HN SER 12 52.895 -0.509 6.494 70 HA SER 12 HA SER 12 53.156 -1.656 8.544 71 1HB SER 12 HB2 SER 12 55.592 -1.260 7.875 72 2HB SER 12 HB1 SER 12 55.556 0.145 8.935 73 HG SER 12 HG SER 12 54.593 -2.270 9.937 74 H ALA 13 HN ALA 13 52.378 1.546 8.237 75 HA ALA 13 HA ALA 13 51.562 3.186 9.741 76 1HB ALA 13 HB1 ALA 13 50.173 0.903 9.868 77 2HB ALA 13 HB2 ALA 13 49.799 2.263 10.927 78 3HB ALA 13 HB3 ALA 13 50.774 0.921 11.526 79 H ASN 14 HN ASN 14 54.360 1.941 10.291 80 HA ASN 14 HA ASN 14 54.757 3.286 12.873 81 1HB ASN 14 HB2 ASN 14 53.901 1.064 13.504 82 2HB ASN 14 HB1 ASN 14 55.159 0.297 12.534 83 1HD2 ASN 14 HD2 ASN 14 56.445 -0.651 14.189 84 2HD2 ASN 14 HD2 ASN 14 57.181 0.242 15.431 85 H SER 15 HN SER 15 55.808 2.932 9.888 86 HA SER 15 HA SER 15 58.688 2.487 10.482 87 1HB SER 15 HB2 SER 15 57.220 2.981 7.868 88 2HB SER 15 HB1 SER 15 58.869 2.385 8.035 89 HG SER 15 HG SER 15 57.089 0.800 7.706 90 H LYS 16 HN LYS 16 59.051 4.352 7.990 91 HA LYS 16 HA LYS 16 58.986 6.899 9.575 92 1HB LYS 16 HB2 LYS 16 61.212 5.814 8.952 93 2HB LYS 16 HB1 LYS 16 60.820 6.187 7.271 94 1HG LYS 16 HG2 LYS 16 62.181 7.993 8.147 95 2HG LYS 16 HG1 LYS 16 60.533 8.594 7.949 96 1HD LYS 16 HD2 LYS 16 60.700 7.429 10.541 97 2HD LYS 16 HD1 LYS 16 62.107 8.475 10.344 98 1HE LYS 16 HE2 LYS 16 59.934 9.909 9.239 99 2HE LYS 16 HE1 LYS 16 59.354 9.240 10.777 100 1HZ LYS 16 HZ1 LYS 16 60.499 11.270 11.246 101 2HZ LYS 16 HZ2 LYS 16 61.848 10.792 10.329 102 3HZ LYS 16 HZ3 LYS 16 61.477 9.991 11.782 103 H CYS 17 HN CYS 17 57.591 8.392 8.780 104 HA CYS 17 HA CYS 17 55.967 8.068 6.495 105 1HB CYS 17 HB2 CYS 17 55.461 9.580 8.328 106 2HB CYS 17 HB1 CYS 17 56.910 10.528 7.997 107 H GLU 18 HN GLU 18 57.119 7.596 4.576 108 HA GLU 18 HA GLU 18 59.361 9.290 3.716 109 1HB GLU 18 HB2 GLU 18 59.461 7.712 1.893 110 2HB GLU 18 HB1 GLU 18 59.060 6.788 3.340 111 1HG GLU 18 HG2 GLU 18 57.110 6.115 2.438 112 2HG GLU 18 HG1 GLU 18 56.645 7.779 2.087 113 H LYS 19 HN LYS 19 58.625 9.337 0.893 114 HA LYS 19 HA LYS 19 56.175 11.030 0.822 115 1HB LYS 19 HB2 LYS 19 58.597 12.150 1.296 116 2HB LYS 19 HB1 LYS 19 58.610 12.147 -0.467 117 1HG LYS 19 HG2 LYS 19 56.022 13.004 0.431 118 2HG LYS 19 HG1 LYS 19 57.257 13.958 1.257 119 1HD LYS 19 HD2 LYS 19 58.183 13.791 -1.369 120 2HD LYS 19 HD1 LYS 19 56.443 14.024 -1.545 121 1HE LYS 19 HE2 LYS 19 56.484 16.074 -0.335 122 2HE LYS 19 HE1 LYS 19 58.101 15.743 0.318 123 1HZ LYS 19 HZ1 LYS 19 59.099 16.306 -1.605 124 2HZ LYS 19 HZ2 LYS 19 57.678 17.193 -1.888 125 3HZ LYS 19 HZ3 LYS 19 57.871 15.650 -2.573 126 H SER 20 HN SER 20 55.304 11.236 -1.302 127 HA SER 20 HA SER 20 54.985 10.698 -3.584 128 1HB SER 20 HB2 SER 20 57.500 11.410 -3.449 129 2HB SER 20 HB1 SER 20 57.822 9.685 -3.604 130 HG SER 20 HG SER 20 56.587 9.712 -5.523 131 H THR 21 HN THR 21 53.548 8.947 -3.188 132 HA THR 21 HA THR 21 54.705 6.266 -3.705 133 HB THR 21 HB THR 21 53.118 7.052 -1.240 134 HG1 THR 21 HG1 THR 21 55.391 7.328 -1.181 135 1HG2 THR 21 HG21 THR 21 53.591 4.472 -0.804 136 2HG2 THR 21 HG22 THR 21 53.566 4.407 -2.568 137 3HG2 THR 21 HG23 THR 21 52.156 4.994 -1.687 138 H LEU 22 HN LEU 22 51.545 6.674 -2.271 139 HA LEU 22 HA LEU 22 49.396 6.313 -3.185 140 1HB LEU 22 HB2 LEU 22 50.896 8.259 -4.731 141 2HB LEU 22 HB1 LEU 22 49.735 7.416 -5.757 142 HG LEU 22 HG LEU 22 48.838 9.488 -4.589 143 1HD1 LEU 22 HD1 LEU 22 47.057 7.536 -3.464 144 2HD1 LEU 22 HD1 LEU 22 47.683 6.920 -4.992 145 3HD1 LEU 22 HD1 LEU 22 46.858 8.478 -4.941 146 1HD2 LEU 22 HD2 LEU 22 50.118 8.638 -2.411 147 2HD2 LEU 22 HD2 LEU 22 48.589 7.806 -2.125 148 3HD2 LEU 22 HD2 LEU 22 48.621 9.562 -2.283 149 H THR 23 HN THR 23 51.343 4.152 -3.554 150 HA THR 23 HA THR 23 50.118 2.903 -5.968 151 HB THR 23 HB THR 23 53.003 2.391 -5.586 152 HG1 THR 23 HG1 THR 23 53.414 4.441 -5.370 153 1HG2 THR 23 HG21 THR 23 52.745 3.098 -8.134 154 2HG2 THR 23 HG22 THR 23 51.035 2.827 -7.794 155 3HG2 THR 23 HG23 THR 23 52.198 1.520 -7.569 156 H ASN 24 HN ASN 24 51.959 0.642 -5.781 157 HA ASN 24 HA ASN 24 50.677 -0.759 -3.507 158 1HB ASN 24 HB2 ASN 24 50.900 -1.474 -6.013 159 2HB ASN 24 HB1 ASN 24 52.536 -1.947 -5.556 160 1HD2 ASN 24 HD2 ASN 24 50.046 -3.625 -6.241 161 2HD2 ASN 24 HD2 ASN 24 49.899 -4.695 -4.932 162 H CYS 25 HN CYS 25 51.805 -0.561 -1.596 163 HA CYS 25 HA CYS 25 54.617 -1.474 -1.528 164 1HB CYS 25 HB2 CYS 25 53.678 1.338 -1.096 165 2HB CYS 25 HB1 CYS 25 54.999 0.730 -0.100 166 H TYR 26 HN TYR 26 54.390 -2.993 0.019 167 HA TYR 26 HA TYR 26 52.779 -2.353 2.464 168 1HB TYR 26 HB2 TYR 26 52.221 -4.317 0.895 169 2HB TYR 26 HB1 TYR 26 53.712 -5.061 1.475 170 HD1 TYR 26 HD1 TYR 26 50.263 -4.880 2.016 171 HD2 TYR 26 HD2 TYR 26 53.984 -4.927 4.160 172 HE1 TYR 26 HE1 TYR 26 49.083 -5.674 4.048 173 HE2 TYR 26 HE2 TYR 26 52.804 -5.721 6.192 174 HH TYR 26 HH TYR 26 49.267 -6.112 6.225 175 H VAL 27 HN VAL 27 54.353 -1.431 3.821 176 HA VAL 27 HA VAL 27 56.966 -2.855 4.064 177 HB VAL 27 HB VAL 27 56.082 -0.186 5.206 178 1HG1 VAL 27 HG11 VAL 27 58.128 -0.296 6.118 179 2HG1 VAL 27 HG12 VAL 27 58.788 -0.154 4.485 180 3HG1 VAL 27 HG13 VAL 27 58.532 -1.746 5.202 181 1HG2 VAL 27 HG21 VAL 27 56.193 0.763 3.164 182 2HG2 VAL 27 HG22 VAL 27 56.239 -0.860 2.477 183 3HG2 VAL 27 HG23 VAL 27 57.744 -0.010 2.833 184 H ASP 28 HN ASP 28 57.839 -3.045 6.324 185 HA ASP 28 HA ASP 28 55.788 -3.142 8.477 186 1HB ASP 28 HB2 ASP 28 56.548 -5.360 6.959 187 2HB ASP 28 HB1 ASP 28 57.508 -5.504 8.433 188 H LYS 29 HN LYS 29 56.726 -2.123 10.226 189 HA LYS 29 HA LYS 29 58.446 -1.174 11.570 190 1HB LYS 29 HB2 LYS 29 59.588 -3.931 11.003 191 2HB LYS 29 HB1 LYS 29 59.907 -2.937 12.426 192 1HG LYS 29 HG2 LYS 29 57.096 -3.126 12.227 193 2HG LYS 29 HG1 LYS 29 57.715 -4.754 11.945 194 1HD LYS 29 HD2 LYS 29 57.337 -4.316 14.361 195 2HD LYS 29 HD1 LYS 29 59.033 -4.640 14.008 196 1HE LYS 29 HE2 LYS 29 59.637 -2.353 14.225 197 2HE LYS 29 HE1 LYS 29 57.952 -1.813 14.090 198 1HZ LYS 29 HZ1 LYS 29 58.728 -1.876 16.412 199 2HZ LYS 29 HZ2 LYS 29 59.007 -3.545 16.263 200 3HZ LYS 29 HZ3 LYS 29 57.429 -2.929 16.140 201 H SER 30 HN SER 30 58.878 0.058 9.323 202 HA SER 30 HA SER 30 61.759 -0.413 8.633 203 1HB SER 30 HB2 SER 30 59.689 0.524 6.670 204 2HB SER 30 HB1 SER 30 61.221 -0.288 6.351 205 HG SER 30 HG SER 30 58.860 -1.374 7.494 206 H GLU 31 HN GLU 31 62.233 1.625 6.987 207 HA GLU 31 HA GLU 31 61.202 4.148 8.172 208 1HB GLU 31 HB2 GLU 31 63.188 3.456 9.472 209 2HB GLU 31 HB1 GLU 31 64.121 3.326 7.981 210 1HG GLU 31 HG2 GLU 31 63.414 5.804 7.598 211 2HG GLU 31 HG1 GLU 31 63.056 5.800 9.326 212 H VAL 32 HN VAL 32 60.281 4.746 6.132 213 HA VAL 32 HA VAL 32 62.123 4.736 3.777 214 HB VAL 32 HB VAL 32 59.111 5.016 4.044 215 1HG1 VAL 32 HG11 VAL 32 60.398 4.257 1.478 216 2HG1 VAL 32 HG12 VAL 32 60.593 5.939 1.971 217 3HG1 VAL 32 HG13 VAL 32 58.978 5.260 1.771 218 1HG2 VAL 32 HG21 VAL 32 59.072 2.714 3.169 219 2HG2 VAL 32 HG22 VAL 32 60.000 2.782 4.668 220 3HG2 VAL 32 HG23 VAL 32 60.837 2.691 3.116 221 H TYR 33 HN TYR 33 62.696 6.673 2.798 222 HA TYR 33 HA TYR 33 61.349 9.185 3.687 223 1HB TYR 33 HB2 TYR 33 63.556 8.349 4.933 224 2HB TYR 33 HB1 TYR 33 64.338 9.070 3.527 225 HD1 TYR 33 HD1 TYR 33 63.158 9.726 6.766 226 HD2 TYR 33 HD2 TYR 33 63.334 11.465 2.843 227 HE1 TYR 33 HE1 TYR 33 62.854 11.981 7.753 228 HE2 TYR 33 HE2 TYR 33 63.029 13.721 3.831 229 HH TYR 33 HH TYR 33 63.189 14.261 7.259 230 H GLY 34 HN GLY 34 60.971 10.472 1.916 231 1HA GLY 34 HA2 GLY 34 60.977 11.121 -0.350 232 2HA GLY 34 HA1 GLY 34 62.726 11.168 -0.123 233 H THR 35 HN THR 35 60.602 8.323 -0.005 234 HA THR 35 HA THR 35 62.288 7.099 -2.147 235 HB THR 35 HB THR 35 60.490 6.054 0.049 236 HG1 THR 35 HG1 THR 35 63.135 5.298 -0.441 237 1HG2 THR 35 HG21 THR 35 61.779 4.574 -2.253 238 2HG2 THR 35 HG22 THR 35 60.073 4.593 -1.805 239 3HG2 THR 35 HG23 THR 35 61.245 3.775 -0.774 240 H THR 36 HN THR 36 61.076 5.658 -3.693 241 HA THR 36 HA THR 36 58.509 6.956 -4.510 242 HB THR 36 HB THR 36 59.136 6.337 -6.715 243 HG1 THR 36 HG1 THR 36 59.609 4.191 -6.363 244 1HG2 THR 36 HG21 THR 36 61.839 6.690 -5.410 245 2HG2 THR 36 HG22 THR 36 60.679 8.013 -5.524 246 3HG2 THR 36 HG23 THR 36 61.307 7.263 -6.991 247 H CYS 37 HN CYS 37 57.356 5.022 -6.038 248 HA CYS 37 HA CYS 37 57.361 2.380 -4.841 249 1HB CYS 37 HB2 CYS 37 56.382 3.611 -2.985 250 2HB CYS 37 HB1 CYS 37 55.225 4.390 -4.064 251 H THR 38 HN THR 38 56.578 1.057 -6.425 252 HA THR 38 HA THR 38 54.201 1.754 -7.990 253 HB THR 38 HB THR 38 56.880 1.483 -9.390 254 HG1 THR 38 HG1 THR 38 57.110 3.428 -8.595 255 1HG2 THR 38 HG21 THR 38 54.666 0.921 -10.564 256 2HG2 THR 38 HG22 THR 38 55.702 2.109 -11.354 257 3HG2 THR 38 HG23 THR 38 54.293 2.640 -10.436 258 H GLY 39 HN GLY 39 55.169 -0.436 -6.243 259 1HA GLY 39 HA2 GLY 39 54.199 -2.730 -6.764 260 2HA GLY 39 HA1 GLY 39 55.182 -2.676 -8.228 261 H SER 40 HN SER 40 55.660 -2.192 -4.709 262 HA SER 40 HA SER 40 57.971 -4.087 -4.830 263 1HB SER 40 HB2 SER 40 59.437 -2.468 -3.880 264 2HB SER 40 HB1 SER 40 58.572 -1.593 -5.140 265 HG SER 40 HG SER 40 57.031 -1.244 -3.199 266 H ARG 41 HN ARG 41 58.696 -4.564 -2.472 267 HA ARG 41 HA ARG 41 56.450 -4.236 -0.526 268 1HB ARG 41 HB2 ARG 41 56.001 -6.366 -1.428 269 2HB ARG 41 HB1 ARG 41 57.713 -6.746 -1.617 270 1HG ARG 41 HG2 ARG 41 56.556 -7.947 0.296 271 2HG ARG 41 HG1 ARG 41 57.996 -7.037 0.750 272 1HD ARG 41 HD2 ARG 41 56.800 -5.534 2.008 273 2HD ARG 41 HD1 ARG 41 55.449 -5.509 0.857 274 HE ARG 41 HE ARG 41 55.909 -7.681 2.864 275 1HH1 ARG 41 HH2 ARG 41 54.199 -7.088 0.050 276 2HH1 ARG 41 HH2 ARG 41 52.633 -7.402 0.720 277 1HH2 ARG 41 HH1 ARG 41 53.774 -7.601 3.987 278 2HH2 ARG 41 HH1 ARG 41 52.393 -7.692 2.946 279 H PHE 42 HN PHE 42 57.264 -3.560 1.414 280 HA PHE 42 HA PHE 42 60.200 -3.942 1.917 281 1HB PHE 42 HB2 PHE 42 58.125 -1.890 2.555 282 2HB PHE 42 HB1 PHE 42 59.487 -2.057 3.656 283 HD1 PHE 42 HD1 PHE 42 59.321 -2.442 -0.070 284 HD2 PHE 42 HD2 PHE 42 60.889 -0.226 3.264 285 HE1 PHE 42 HE1 PHE 42 60.731 -1.107 -1.620 286 HE2 PHE 42 HE2 PHE 42 62.290 1.110 1.717 287 HZ PHE 42 HZ PHE 42 62.216 0.667 -0.724 288 H ASP 43 HN ASP 43 60.727 -4.125 4.321 289 HA ASP 43 HA ASP 43 58.832 -5.009 6.278 290 1HB ASP 43 HB2 ASP 43 58.460 -6.877 4.794 291 2HB ASP 43 HB1 ASP 43 60.193 -7.105 4.558 292 H GLY 44 HN GLY 44 60.061 -4.220 7.988 293 1HA GLY 44 HA2 GLY 44 61.942 -3.846 9.359 294 2HA GLY 44 HA1 GLY 44 62.412 -5.491 8.910 295 H VAL 45 HN VAL 45 62.243 -2.278 7.348 296 HA VAL 45 HA VAL 45 65.039 -2.687 6.360 297 HB VAL 45 HB VAL 45 62.473 -2.236 4.833 298 1HG1 VAL 45 HG11 VAL 45 65.030 -0.985 4.312 299 2HG1 VAL 45 HG12 VAL 45 63.501 -0.788 3.453 300 3HG1 VAL 45 HG13 VAL 45 64.607 -2.087 3.003 301 1HG2 VAL 45 HG21 VAL 45 63.096 -4.527 4.972 302 2HG2 VAL 45 HG22 VAL 45 64.796 -4.161 4.683 303 3HG2 VAL 45 HG23 VAL 45 63.624 -4.000 3.375 304 H THR 46 HN THR 46 66.177 -0.846 6.872 305 HA THR 46 HA THR 46 64.667 1.702 7.245 306 HB THR 46 HB THR 46 67.429 0.755 8.066 307 HG1 THR 46 HG1 THR 46 65.295 1.561 9.712 308 1HG2 THR 46 HG21 THR 46 67.877 2.995 7.940 309 2HG2 THR 46 HG22 THR 46 67.032 3.014 9.488 310 3HG2 THR 46 HG23 THR 46 66.171 3.442 8.009 311 H ILE 47 HN ILE 47 64.498 2.496 5.125 312 HA ILE 47 HA ILE 47 67.051 2.796 3.579 313 HB ILE 47 HB ILE 47 65.513 2.879 1.633 314 1HG1 ILE 47 HG12 ILE 47 63.138 2.023 3.092 315 2HG1 ILE 47 HG11 ILE 47 63.657 3.637 3.583 316 1HG2 ILE 47 HG21 ILE 47 65.500 0.630 3.586 317 2HG2 ILE 47 HG22 ILE 47 66.087 0.669 1.924 318 3HG2 ILE 47 HG23 ILE 47 64.359 0.535 2.245 319 1HD1 ILE 47 HD1 ILE 47 62.060 3.435 1.541 320 2HD1 ILE 47 HD1 ILE 47 63.494 2.902 0.665 321 3HD1 ILE 47 HD1 ILE 47 63.456 4.503 1.404 322 H THR 48 HN THR 48 67.354 4.856 2.484 323 HA THR 48 HA THR 48 65.674 7.104 3.514 324 HB THR 48 HB THR 48 68.409 6.361 4.134 325 HG1 THR 48 HG1 THR 48 66.967 7.031 5.675 326 1HG2 THR 48 HG21 THR 48 67.999 8.970 2.688 327 2HG2 THR 48 HG22 THR 48 69.303 7.796 2.508 328 3HG2 THR 48 HG23 THR 48 69.232 8.821 3.941 329 H THR 49 HN THR 49 65.034 8.405 1.827 330 HA THR 49 HA THR 49 64.841 9.127 -0.435 331 HB THR 49 HB THR 49 67.778 9.455 -0.539 332 HG1 THR 49 HG1 THR 49 67.409 11.098 1.245 333 1HG2 THR 49 HG21 THR 49 65.315 10.943 -1.098 334 2HG2 THR 49 HG22 THR 49 66.901 11.070 -1.856 335 3HG2 THR 49 HG23 THR 49 66.570 11.932 -0.354 336 H SER 50 HN SER 50 64.392 6.834 -1.197 337 HA SER 50 HA SER 50 66.602 5.920 -2.992 338 1HB SER 50 HB2 SER 50 66.693 4.541 -1.006 339 2HB SER 50 HB1 SER 50 64.948 4.305 -1.033 340 HG SER 50 HG SER 50 66.258 3.615 -3.360 341 H THR 51 HN THR 51 65.880 4.942 -4.921 342 HA THR 51 HA THR 51 62.935 5.176 -5.446 343 HB THR 51 HB THR 51 63.882 5.397 -7.868 344 HG1 THR 51 HG1 THR 51 66.160 6.396 -6.634 345 1HG2 THR 51 HG21 THR 51 63.645 7.304 -5.674 346 2HG2 THR 51 HG22 THR 51 63.140 7.466 -7.356 347 3HG2 THR 51 HG23 THR 51 64.800 7.841 -6.893 348 H SER 52 HN SER 52 64.083 2.816 -4.290 349 HA SER 52 HA SER 52 64.222 0.897 -6.576 350 1HB SER 52 HB2 SER 52 65.896 1.198 -4.526 351 2HB SER 52 HB1 SER 52 64.713 0.178 -3.707 352 HG SER 52 HG SER 52 66.356 -1.034 -4.772 353 H THR 53 HN THR 53 62.279 -0.035 -7.053 354 HA THR 53 HA THR 53 60.579 -1.015 -4.814 355 HB THR 53 HB THR 53 58.656 0.005 -6.356 356 HG1 THR 53 HG1 THR 53 59.571 2.099 -7.079 357 1HG2 THR 53 HG21 THR 53 59.275 2.288 -5.044 358 2HG2 THR 53 HG22 THR 53 60.316 1.156 -4.181 359 3HG2 THR 53 HG23 THR 53 58.575 0.881 -4.244 360 H GLY 54 HN GLY 54 60.484 -3.177 -5.316 361 1HA GLY 54 HA2 GLY 54 59.052 -4.275 -7.423 362 2HA GLY 54 HA1 GLY 54 60.692 -4.157 -8.044 363 H SER 55 HN SER 55 61.906 -4.600 -5.378 364 HA SER 55 HA SER 55 61.366 -7.523 -5.182 365 1HB SER 55 HB2 SER 55 63.655 -7.808 -4.974 366 2HB SER 55 HB1 SER 55 63.623 -6.342 -5.950 367 HG SER 55 HG SER 55 64.377 -6.728 -3.331 368 H ARG 56 HN ARG 56 61.708 -8.470 -2.986 369 HA ARG 56 HA ARG 56 60.538 -6.695 -0.915 370 1HB ARG 56 HB2 ARG 56 59.660 -8.975 -1.425 371 2HB ARG 56 HB1 ARG 56 61.211 -9.657 -0.937 372 1HG ARG 56 HG2 ARG 56 60.324 -7.883 1.127 373 2HG ARG 56 HG1 ARG 56 59.000 -8.978 0.729 374 1HD ARG 56 HD2 ARG 56 61.554 -10.388 0.825 375 2HD ARG 56 HD1 ARG 56 61.172 -9.599 2.368 376 HE ARG 56 HE ARG 56 58.982 -10.770 2.326 377 1HH1 ARG 56 HH1 ARG 56 61.003 -12.956 2.410 378 2HH1 ARG 56 HH1 ARG 56 60.498 -13.983 1.110 379 1HH2 ARG 56 HH2 ARG 56 58.487 -11.574 -0.367 380 2HH2 ARG 56 HH2 ARG 56 59.075 -13.202 -0.461 381 H ILE 57 HN ILE 57 61.930 -5.627 0.451 382 HA ILE 57 HA ILE 57 64.695 -6.685 0.749 383 HB ILE 57 HB ILE 57 63.392 -4.053 1.486 384 1HG1 ILE 57 HG12 ILE 57 64.787 -5.134 -0.909 385 2HG1 ILE 57 HG11 ILE 57 63.594 -3.841 -0.794 386 1HG2 ILE 57 HG21 ILE 57 65.640 -3.292 2.028 387 2HG2 ILE 57 HG22 ILE 57 66.326 -4.836 1.524 388 3HG2 ILE 57 HG23 ILE 57 65.314 -4.750 2.961 389 1HD1 ILE 57 HD1 ILE 57 65.307 -2.308 0.067 390 2HD1 ILE 57 HD1 ILE 57 65.824 -2.985 -1.479 391 3HD1 ILE 57 HD1 ILE 57 66.502 -3.606 0.029 392 H SER 58 HN SER 58 65.654 -6.817 2.847 393 HA SER 58 HA SER 58 63.825 -6.805 5.189 394 1HB SER 58 HB2 SER 58 65.023 -9.156 3.821 395 2HB SER 58 HB1 SER 58 65.092 -9.172 5.581 396 HG SER 58 HG SER 58 62.849 -9.037 3.870 397 H GLY 59 HN GLY 59 64.957 -6.326 7.115 398 1HA GLY 59 HA2 GLY 59 67.603 -6.806 7.763 399 2HA GLY 59 HA1 GLY 59 67.679 -5.335 6.797 400 HA PRO 60 HA PRO 60 65.606 -4.540 11.068 401 1HB PRO 60 HB2 PRO 60 67.261 -5.483 13.040 402 2HB PRO 60 HB1 PRO 60 65.893 -6.419 12.407 403 1HG PRO 60 HG2 PRO 60 68.793 -6.647 11.775 404 2HG PRO 60 HG1 PRO 60 67.577 -7.919 11.975 405 1HD PRO 60 HD2 PRO 60 68.456 -7.056 9.544 406 2HD PRO 60 HD1 PRO 60 66.835 -7.732 9.814 407 H GLY 61 HN GLY 61 68.654 -4.405 9.640 408 1HA GLY 61 HA2 GLY 61 69.171 -1.732 10.781 409 2HA GLY 61 HA1 GLY 61 70.459 -2.934 10.927 410 H CYS 62 HN CYS 62 68.294 -2.988 8.185 411 HA CYS 62 HA CYS 62 70.483 -2.839 6.298 412 1HB CYS 62 HB2 CYS 62 68.610 -4.132 5.693 413 2HB CYS 62 HB1 CYS 62 67.471 -2.912 6.253 414 H LYS 63 HN LYS 63 71.021 -1.107 4.898 415 HA LYS 63 HA LYS 63 69.601 1.491 5.290 416 1HB LYS 63 HB2 LYS 63 72.438 0.747 5.895 417 2HB LYS 63 HB1 LYS 63 72.123 2.364 5.262 418 1HG LYS 63 HG2 LYS 63 71.369 3.043 7.268 419 2HG LYS 63 HG1 LYS 63 70.177 1.742 7.290 420 1HD LYS 63 HD2 LYS 63 71.409 0.509 8.724 421 2HD LYS 63 HD1 LYS 63 72.882 0.764 7.788 422 1HE LYS 63 HE2 LYS 63 72.502 3.258 8.877 423 2HE LYS 63 HE1 LYS 63 71.921 2.201 10.179 424 1HZ LYS 63 HZ1 LYS 63 74.317 2.464 10.324 425 2HZ LYS 63 HZ2 LYS 63 74.501 1.921 8.724 426 3HZ LYS 63 HZ3 LYS 63 73.931 0.862 9.924 427 H ILE 64 HN ILE 64 68.981 2.018 3.236 428 HA ILE 64 HA ILE 64 70.741 1.249 0.948 429 HB ILE 64 HB ILE 64 68.184 0.685 1.356 430 1HG1 ILE 64 HG12 ILE 64 69.100 1.735 -1.337 431 2HG1 ILE 64 HG11 ILE 64 69.563 0.162 -0.683 432 1HG2 ILE 64 HG21 ILE 64 67.426 2.974 1.708 433 2HG2 ILE 64 HG22 ILE 64 66.721 2.355 0.216 434 3HG2 ILE 64 HG23 ILE 64 68.089 3.466 0.150 435 1HD1 ILE 64 HD1 ILE 64 66.921 -0.049 -0.332 436 2HD1 ILE 64 HD1 ILE 64 67.684 -0.473 -1.867 437 3HD1 ILE 64 HD1 ILE 64 66.904 1.098 -1.674 438 H SER 65 HN SER 65 70.558 2.969 -0.929 439 HA SER 65 HA SER 65 70.326 5.754 0.049 440 1HB SER 65 HB2 SER 65 72.546 5.805 0.506 441 2HB SER 65 HB1 SER 65 72.810 4.249 -0.276 442 HG SER 65 HG SER 65 73.418 6.664 -1.173 443 H THR 66 HN THR 66 68.771 6.184 -1.543 444 HA THR 66 HA THR 66 68.036 6.894 -3.665 445 HB THR 66 HB THR 66 69.672 7.676 -5.114 446 HG1 THR 66 HG1 THR 66 71.577 6.592 -5.515 447 1HG2 THR 66 HG21 THR 66 70.186 8.023 -2.469 448 2HG2 THR 66 HG22 THR 66 71.119 8.787 -3.756 449 3HG2 THR 66 HG23 THR 66 71.708 7.306 -3.001 450 H CYS 67 HN CYS 67 70.468 4.379 -4.490 451 HA CYS 67 HA CYS 67 70.151 2.284 -5.547 452 1HB CYS 67 HB2 CYS 67 68.178 2.585 -3.680 453 2HB CYS 67 HB1 CYS 67 67.218 2.374 -5.143 454 H ILE 68 HN ILE 68 67.776 1.492 -7.030 455 HA ILE 68 HA ILE 68 66.821 3.408 -8.888 456 HB ILE 68 HB ILE 68 69.014 3.916 -9.576 457 1HG1 ILE 68 HG12 ILE 68 68.436 1.583 -11.410 458 2HG1 ILE 68 HG11 ILE 68 67.466 3.056 -11.450 459 1HG2 ILE 68 HG21 ILE 68 70.625 2.564 -8.751 460 2HG2 ILE 68 HG22 ILE 68 70.367 1.559 -10.177 461 3HG2 ILE 68 HG23 ILE 68 69.528 1.186 -8.672 462 1HD1 ILE 68 HD1 ILE 68 70.177 2.582 -12.462 463 2HD1 ILE 68 HD1 ILE 68 70.059 4.025 -11.456 464 3HD1 ILE 68 HD1 ILE 68 69.030 3.856 -12.879 465 H ILE 69 HN ILE 69 65.001 1.992 -8.859 466 HA ILE 69 HA ILE 69 63.678 0.191 -9.630 467 HB ILE 69 HB ILE 69 66.055 -0.346 -11.430 468 1HG1 ILE 69 HG12 ILE 69 63.967 1.846 -11.538 469 2HG1 ILE 69 HG11 ILE 69 65.720 2.023 -11.571 470 1HG2 ILE 69 HG21 ILE 69 63.060 -0.574 -11.866 471 2HG2 ILE 69 HG22 ILE 69 64.130 -1.926 -11.498 472 3HG2 ILE 69 HG23 ILE 69 64.318 -1.039 -13.011 473 1HD1 ILE 69 HD1 ILE 69 65.512 2.081 -13.825 474 2HD1 ILE 69 HD1 ILE 69 63.865 1.452 -13.770 475 3HD1 ILE 69 HD1 ILE 69 65.235 0.343 -13.717 476 H THR 70 HN THR 70 63.374 -1.845 -8.746 477 HA THR 70 HA THR 70 65.815 -3.251 -7.716 478 HB THR 70 HB THR 70 63.066 -3.813 -6.700 479 HG1 THR 70 HG1 THR 70 63.140 -1.919 -5.458 480 1HG2 THR 70 HG21 THR 70 65.815 -3.441 -5.491 481 2HG2 THR 70 HG22 THR 70 64.914 -4.947 -5.661 482 3HG2 THR 70 HG23 THR 70 64.359 -3.713 -4.531 483 H GLY 71 HN GLY 71 62.462 -4.324 -8.352 484 1HA GLY 71 HA2 GLY 71 61.717 -6.352 -9.306 485 2HA GLY 71 HA1 GLY 71 62.797 -5.884 -10.624 486 H GLY 72 HN GLY 72 62.865 -7.404 -7.400 487 1HA GLY 72 HA2 GLY 72 64.341 -9.021 -6.540 488 2HA GLY 72 HA1 GLY 72 64.120 -9.779 -8.119 489 H VAL 73 HN VAL 73 66.122 -7.475 -6.316 490 HA VAL 73 HA VAL 73 68.066 -7.265 -8.525 491 HB VAL 73 HB VAL 73 69.283 -5.909 -6.785 492 1HG1 VAL 73 HG11 VAL 73 67.292 -5.142 -8.318 493 2HG1 VAL 73 HG12 VAL 73 67.849 -4.082 -7.023 494 3HG1 VAL 73 HG13 VAL 73 66.400 -5.063 -6.798 495 1HG2 VAL 73 HG21 VAL 73 66.843 -6.223 -5.055 496 2HG2 VAL 73 HG22 VAL 73 68.465 -5.694 -4.605 497 3HG2 VAL 73 HG23 VAL 73 68.151 -7.399 -4.932 498 HA PRO 74 HA PRO 74 70.682 -10.527 -7.202 499 1HB PRO 74 HB2 PRO 74 73.131 -9.579 -7.951 500 2HB PRO 74 HB1 PRO 74 71.910 -10.119 -9.117 501 1HG PRO 74 HG2 PRO 74 72.730 -7.378 -8.375 502 2HG PRO 74 HG1 PRO 74 72.123 -8.002 -9.915 503 1HD PRO 74 HD2 PRO 74 70.649 -6.552 -8.046 504 2HD PRO 74 HD1 PRO 74 69.980 -7.514 -9.380 505 H ALA 75 HN ALA 75 72.090 -11.148 -5.481 506 HA ALA 75 HA ALA 75 72.098 -9.742 -3.080 507 1HB ALA 75 HB1 ALA 75 72.892 -11.867 -2.786 508 2HB ALA 75 HB2 ALA 75 74.471 -11.113 -3.004 509 3HB ALA 75 HB3 ALA 75 73.670 -11.892 -4.369 510 HA PRO 76 HA PRO 76 76.324 -7.760 -4.094 511 1HB PRO 76 HB2 PRO 76 77.413 -8.209 -6.562 512 2HB PRO 76 HB1 PRO 76 77.695 -9.283 -5.178 513 1HG PRO 76 HG2 PRO 76 75.824 -9.606 -7.471 514 2HG PRO 76 HG1 PRO 76 76.821 -10.816 -6.649 515 1HD PRO 76 HD2 PRO 76 74.148 -10.517 -6.203 516 2HD PRO 76 HD1 PRO 76 75.282 -11.144 -4.987 517 H SER 77 HN SER 77 74.633 -6.037 -4.214 518 HA SER 77 HA SER 77 73.238 -5.073 -6.401 519 1HB SER 77 HB2 SER 77 73.765 -2.790 -5.320 520 2HB SER 77 HB1 SER 77 73.037 -4.011 -4.281 521 HG SER 77 HG SER 77 75.224 -2.743 -3.817 522 H ALA 78 HN ALA 78 76.650 -4.215 -5.639 523 HA ALA 78 HA ALA 78 78.270 -3.192 -7.053 524 1HB ALA 78 HB1 ALA 78 76.818 -5.196 -8.813 525 2HB ALA 78 HB2 ALA 78 78.283 -5.477 -7.873 526 3HB ALA 78 HB3 ALA 78 78.329 -4.415 -9.281 527 H ALA 79 HN ALA 79 75.473 -2.020 -6.908 528 HA ALA 79 HA ALA 79 75.745 -0.132 -9.149 529 1HB ALA 79 HB1 ALA 79 73.640 -2.280 -8.909 530 2HB ALA 79 HB2 ALA 79 74.567 -1.794 -10.332 531 3HB ALA 79 HB3 ALA 79 73.264 -0.764 -9.737 532 H CYS 80 HN CYS 80 73.012 -1.235 -7.127 533 HA CYS 80 HA CYS 80 72.275 1.470 -6.370 534 1HB CYS 80 HB2 CYS 80 70.555 -0.153 -6.517 535 2HB CYS 80 HB1 CYS 80 71.485 -1.347 -5.616 536 H LYS 81 HN LYS 81 72.187 2.130 -4.016 537 HA LYS 81 HA LYS 81 74.740 1.390 -2.669 538 1HB LYS 81 HB2 LYS 81 72.754 3.617 -2.108 539 2HB LYS 81 HB1 LYS 81 74.414 3.510 -1.519 540 1HG LYS 81 HG2 LYS 81 73.671 3.624 -4.455 541 2HG LYS 81 HG1 LYS 81 74.143 5.033 -3.505 542 1HD LYS 81 HD2 LYS 81 76.339 4.445 -3.489 543 2HD LYS 81 HD1 LYS 81 75.975 2.732 -3.273 544 1HE LYS 81 HE2 LYS 81 75.368 2.559 -5.672 545 2HE LYS 81 HE1 LYS 81 75.776 4.273 -5.887 546 1HZ LYS 81 HZ1 LYS 81 77.968 3.650 -4.775 547 2HZ LYS 81 HZ2 LYS 81 77.750 3.158 -6.386 548 3HZ LYS 81 HZ3 LYS 81 77.560 2.040 -5.121 549 H ILE 82 HN ILE 82 74.129 -0.579 -1.647 550 HA ILE 82 HA ILE 82 72.044 -0.297 0.493 551 HB ILE 82 HB ILE 82 71.411 -1.646 -1.553 552 1HG1 ILE 82 HG12 ILE 82 70.936 -3.788 -0.060 553 2HG1 ILE 82 HG11 ILE 82 71.538 -2.747 1.230 554 1HG2 ILE 82 HG21 ILE 82 74.014 -2.722 -1.082 555 2HG2 ILE 82 HG22 ILE 82 72.890 -3.125 -2.379 556 3HG2 ILE 82 HG23 ILE 82 72.846 -4.025 -0.864 557 1HD1 ILE 82 HD1 ILE 82 68.975 -2.727 0.657 558 2HD1 ILE 82 HD1 ILE 82 69.475 -1.698 -0.686 559 3HD1 ILE 82 HD1 ILE 82 69.801 -1.202 0.975 560 H SER 83 HN SER 83 72.517 -1.442 2.453 561 HA SER 83 HA SER 83 75.120 -2.850 2.671 562 1HB SER 83 HB2 SER 83 76.105 -0.936 3.386 563 2HB SER 83 HB1 SER 83 74.557 -0.098 3.452 564 HG SER 83 HG SER 83 75.507 -0.292 5.519 565 H GLY 84 HN GLY 84 74.220 -4.744 3.490 566 1HA GLY 84 HA2 GLY 84 73.447 -6.103 5.272 567 2HA GLY 84 HA1 GLY 84 73.100 -4.640 6.195 568 H CYS 85 HN CYS 85 71.951 -5.792 3.005 569 HA CYS 85 HA CYS 85 69.159 -5.676 4.087 570 1HB CYS 85 HB2 CYS 85 70.150 -4.616 1.422 571 2HB CYS 85 HB1 CYS 85 68.511 -4.477 2.058 572 H THR 86 HN THR 86 67.673 -7.081 2.974 573 HA THR 86 HA THR 86 69.013 -9.270 1.432 574 HB THR 86 HB THR 86 66.336 -9.826 2.410 575 HG1 THR 86 HG1 THR 86 67.426 -9.752 4.685 576 1HG2 THR 86 HG21 THR 86 67.328 -11.827 2.665 577 2HG2 THR 86 HG22 THR 86 68.487 -11.156 3.814 578 3HG2 THR 86 HG23 THR 86 68.826 -11.098 2.083 579 H PHE 87 HN PHE 87 67.622 -10.244 -0.317 580 HA PHE 87 HA PHE 87 65.594 -8.341 -1.428 581 1HB PHE 87 HB2 PHE 87 67.618 -9.670 -3.214 582 2HB PHE 87 HB1 PHE 87 66.733 -8.168 -3.468 583 HD1 PHE 87 HD1 PHE 87 69.899 -9.374 -2.915 584 HD2 PHE 87 HD2 PHE 87 67.192 -6.437 -1.334 585 HE1 PHE 87 HE1 PHE 87 71.818 -8.097 -2.003 586 HE2 PHE 87 HE2 PHE 87 69.112 -5.159 -0.421 587 HZ PHE 87 HZ PHE 87 71.426 -5.990 -0.756 588 H SER 88 HN SER 88 64.170 -9.403 -3.029 589 HA SER 88 HA SER 88 64.301 -12.214 -3.608 590 1HB SER 88 HB2 SER 88 63.761 -11.781 -1.005 591 2HB SER 88 HB1 SER 88 62.123 -11.675 -1.645 592 HG SER 88 HG SER 88 62.161 -13.760 -1.792 593 H ALA 89 HN ALA 89 63.668 -9.765 -4.978 594 HA ALA 89 HA ALA 89 62.000 -8.769 -6.335 595 1HB ALA 89 HB1 ALA 89 62.508 -11.420 -6.917 596 2HB ALA 89 HB2 ALA 89 61.601 -10.306 -7.945 597 3HB ALA 89 HB3 ALA 89 60.746 -11.376 -6.829 598 H ASN 90 HN ASN 90 59.384 -9.350 -6.862 599 HA ASN 90 HA ASN 90 57.775 -10.073 -4.588 600 1HB ASN 90 HB2 ASN 90 58.615 -8.183 -3.459 601 2HB ASN 90 HB1 ASN 90 58.684 -7.217 -4.935 602 1HD2 ASN 90 HD2 ASN 90 55.940 -9.167 -3.667 603 2HD2 ASN 90 HD2 ASN 90 54.870 -7.855 -3.538 Start of MODEL 11 1 1H ASP 1 HT1 ASP 1 46.101 11.635 0.903 2 2H ASP 1 HT2 ASP 1 47.513 11.292 1.780 3 3H ASP 1 HT3 ASP 1 47.287 12.831 1.098 4 HA ASP 1 HA ASP 1 46.857 12.962 3.457 5 1HB ASP 1 HB2 ASP 1 44.534 13.840 3.211 6 2HB ASP 1 HB1 ASP 1 45.569 14.325 1.868 7 H GLY 2 HN GLY 2 47.243 10.555 4.067 8 1HA GLY 2 HA2 GLY 2 44.877 9.581 5.434 9 2HA GLY 2 HA1 GLY 2 45.322 8.542 4.079 10 H SER 3 HN SER 3 45.876 9.146 7.343 11 HA SER 3 HA SER 3 47.556 8.418 8.855 12 1HB SER 3 HB2 SER 3 47.424 6.203 6.784 13 2HB SER 3 HB1 SER 3 48.112 6.028 8.396 14 HG SER 3 HG SER 3 45.904 6.953 9.012 15 H CYS 4 HN CYS 4 48.861 10.290 7.658 16 HA CYS 4 HA CYS 4 51.002 11.007 6.964 17 1HB CYS 4 HB2 CYS 4 51.226 8.556 8.395 18 2HB CYS 4 HB1 CYS 4 52.343 8.468 7.039 19 H THR 5 HN THR 5 51.166 7.655 5.765 20 HA THR 5 HA THR 5 50.813 8.629 2.970 21 HB THR 5 HB THR 5 53.229 8.750 3.641 22 HG1 THR 5 HG1 THR 5 52.529 8.222 1.482 23 1HG2 THR 5 HG21 THR 5 52.733 5.819 4.160 24 2HG2 THR 5 HG22 THR 5 53.455 7.014 5.238 25 3HG2 THR 5 HG23 THR 5 54.352 6.441 3.831 26 H ASN 6 HN ASN 6 49.164 6.949 4.727 27 HA ASN 6 HA ASN 6 49.528 4.215 3.602 28 1HB ASN 6 HB2 ASN 6 48.912 5.206 6.096 29 2HB ASN 6 HB1 ASN 6 47.321 4.771 5.472 30 1HD2 ASN 6 HD2 ASN 6 50.404 3.490 6.561 31 2HD2 ASN 6 HD2 ASN 6 49.978 1.850 6.451 32 H THR 7 HN THR 7 48.773 5.740 1.544 33 HA THR 7 HA THR 7 45.795 5.740 1.379 34 HB THR 7 HB THR 7 46.881 7.771 0.677 35 HG1 THR 7 HG1 THR 7 45.664 7.806 -1.009 36 1HG2 THR 7 HG21 THR 7 49.119 7.306 0.303 37 2HG2 THR 7 HG22 THR 7 48.548 7.468 -1.358 38 3HG2 THR 7 HG23 THR 7 48.767 5.867 -0.654 39 H ASN 8 HN ASN 8 45.346 3.507 1.082 40 HA ASN 8 HA ASN 8 44.975 1.598 -0.276 41 1HB ASN 8 HB2 ASN 8 45.226 3.676 -1.998 42 2HB ASN 8 HB1 ASN 8 46.622 2.715 -2.486 43 1HD2 ASN 8 HD2 ASN 8 45.027 2.620 -4.514 44 2HD2 ASN 8 HD2 ASN 8 43.978 1.281 -4.542 45 H SER 9 HN SER 9 47.779 2.601 1.025 46 HA SER 9 HA SER 9 49.285 0.187 0.071 47 1HB SER 9 HB2 SER 9 50.480 2.808 1.000 48 2HB SER 9 HB1 SER 9 51.279 1.508 0.119 49 HG SER 9 HG SER 9 49.889 3.604 -0.826 50 H GLN 10 HN GLN 10 51.167 -0.184 1.822 51 HA GLN 10 HA GLN 10 50.020 0.182 4.565 52 1HB GLN 10 HB2 GLN 10 49.570 -2.065 3.409 53 2HB GLN 10 HB1 GLN 10 51.303 -2.358 3.537 54 1HG GLN 10 HG2 GLN 10 51.240 -2.584 5.827 55 2HG GLN 10 HG1 GLN 10 49.886 -1.465 6.004 56 1HE2 GLN 10 HE21 GLN 10 50.747 -4.813 5.713 57 2HE2 GLN 10 HE22 GLN 10 49.169 -5.433 5.662 58 H LEU 11 HN LEU 11 51.616 1.739 5.109 59 HA LEU 11 HA LEU 11 54.475 1.131 4.679 60 1HB LEU 11 HB2 LEU 11 53.386 3.391 4.403 61 2HB LEU 11 HB1 LEU 11 53.109 3.412 6.143 62 HG LEU 11 HG LEU 11 55.679 2.950 6.311 63 1HD1 LEU 11 HD1 LEU 11 55.401 2.922 3.544 64 2HD1 LEU 11 HD1 LEU 11 56.919 3.084 4.426 65 3HD1 LEU 11 HD1 LEU 11 56.060 4.524 3.877 66 1HD2 LEU 11 HD2 LEU 11 54.076 5.308 6.183 67 2HD2 LEU 11 HD2 LEU 11 55.604 5.657 5.377 68 3HD2 LEU 11 HD2 LEU 11 55.598 5.078 7.042 69 H SER 12 HN SER 12 52.831 -0.591 6.500 70 HA SER 12 HA SER 12 53.248 -1.703 8.549 71 1HB SER 12 HB2 SER 12 55.469 -1.719 8.967 72 2HB SER 12 HB1 SER 12 55.639 -0.500 7.714 73 HG SER 12 HG SER 12 55.944 0.961 9.206 74 H ALA 13 HN ALA 13 52.239 1.423 8.206 75 HA ALA 13 HA ALA 13 51.397 3.059 9.703 76 1HB ALA 13 HB1 ALA 13 49.606 1.993 10.587 77 2HB ALA 13 HB2 ALA 13 50.633 1.116 11.723 78 3HB ALA 13 HB3 ALA 13 50.352 0.469 10.105 79 H ASN 14 HN ASN 14 54.252 2.058 10.116 80 HA ASN 14 HA ASN 14 54.699 3.370 12.705 81 1HB ASN 14 HB2 ASN 14 53.999 0.903 13.042 82 2HB ASN 14 HB1 ASN 14 55.578 0.502 12.367 83 1HD2 ASN 14 HD2 ASN 14 57.126 0.205 13.964 84 2HD2 ASN 14 HD2 ASN 14 57.166 1.016 15.453 85 H SER 15 HN SER 15 55.584 3.254 9.684 86 HA SER 15 HA SER 15 58.522 2.989 10.133 87 1HB SER 15 HB2 SER 15 57.088 3.335 7.494 88 2HB SER 15 HB1 SER 15 58.644 2.565 7.790 89 HG SER 15 HG SER 15 57.192 0.932 7.565 90 H LYS 16 HN LYS 16 58.894 4.721 7.656 91 HA LYS 16 HA LYS 16 58.464 7.355 9.033 92 1HB LYS 16 HB2 LYS 16 60.686 6.102 7.504 93 2HB LYS 16 HB1 LYS 16 60.437 7.826 7.245 94 1HG LYS 16 HG2 LYS 16 60.516 6.691 10.035 95 2HG LYS 16 HG1 LYS 16 62.007 7.098 9.185 96 1HD LYS 16 HD2 LYS 16 61.277 9.399 8.896 97 2HD LYS 16 HD1 LYS 16 59.699 9.022 9.586 98 1HE LYS 16 HE2 LYS 16 62.207 8.495 11.179 99 2HE LYS 16 HE1 LYS 16 61.474 10.111 11.156 100 1HZ LYS 16 HZ1 LYS 16 60.649 8.261 12.828 101 2HZ LYS 16 HZ2 LYS 16 59.699 7.811 11.493 102 3HZ LYS 16 HZ3 LYS 16 59.574 9.379 12.138 103 H CYS 17 HN CYS 17 56.411 7.748 8.056 104 HA CYS 17 HA CYS 17 55.848 7.491 5.254 105 1HB CYS 17 HB2 CYS 17 53.962 9.065 5.892 106 2HB CYS 17 HB1 CYS 17 54.095 7.630 6.906 107 H GLU 18 HN GLU 18 58.131 8.538 4.715 108 HA GLU 18 HA GLU 18 58.127 11.494 4.782 109 1HB GLU 18 HB2 GLU 18 60.008 9.397 3.653 110 2HB GLU 18 HB1 GLU 18 60.355 11.127 3.697 111 1HG GLU 18 HG2 GLU 18 59.495 9.897 6.262 112 2HG GLU 18 HG1 GLU 18 61.095 9.441 5.675 113 H LYS 19 HN LYS 19 55.926 10.810 3.337 114 HA LYS 19 HA LYS 19 54.918 10.905 1.190 115 1HB LYS 19 HB2 LYS 19 57.089 12.898 1.468 116 2HB LYS 19 HB1 LYS 19 56.569 12.603 -0.191 117 1HG LYS 19 HG2 LYS 19 54.522 13.547 0.143 118 2HG LYS 19 HG1 LYS 19 54.374 12.881 1.769 119 1HD LYS 19 HD2 LYS 19 54.597 15.418 1.638 120 2HD LYS 19 HD1 LYS 19 55.745 14.607 2.702 121 1HE LYS 19 HE2 LYS 19 56.892 14.654 0.080 122 2HE LYS 19 HE1 LYS 19 56.330 16.293 0.467 123 1HZ LYS 19 HZ1 LYS 19 58.021 14.551 2.180 124 2HZ LYS 19 HZ2 LYS 19 57.369 16.039 2.673 125 3HZ LYS 19 HZ3 LYS 19 58.504 15.982 1.409 126 H SER 20 HN SER 20 55.547 8.602 0.745 127 HA SER 20 HA SER 20 57.318 8.460 -1.630 128 1HB SER 20 HB2 SER 20 57.715 6.553 0.671 129 2HB SER 20 HB1 SER 20 58.817 6.923 -0.652 130 HG SER 20 HG SER 20 58.975 9.053 0.249 131 H THR 21 HN THR 21 55.750 6.191 0.674 132 HA THR 21 HA THR 21 55.022 4.169 -1.092 133 HB THR 21 HB THR 21 53.450 5.372 1.211 134 HG1 THR 21 HG1 THR 21 55.515 4.706 1.790 135 1HG2 THR 21 HG21 THR 21 51.900 3.942 0.225 136 2HG2 THR 21 HG22 THR 21 52.733 2.840 1.321 137 3HG2 THR 21 HG23 THR 21 53.145 2.856 -0.393 138 H LEU 22 HN LEU 22 52.789 3.730 -2.032 139 HA LEU 22 HA LEU 22 51.310 6.195 -2.814 140 1HB LEU 22 HB2 LEU 22 53.120 4.559 -4.439 141 2HB LEU 22 HB1 LEU 22 51.525 4.741 -5.171 142 HG LEU 22 HG LEU 22 52.278 7.278 -4.112 143 1HD1 LEU 22 HD1 LEU 22 54.288 6.811 -6.165 144 2HD1 LEU 22 HD1 LEU 22 54.569 5.798 -4.749 145 3HD1 LEU 22 HD1 LEU 22 54.470 7.551 -4.575 146 1HD2 LEU 22 HD2 LEU 22 50.840 7.251 -5.959 147 2HD2 LEU 22 HD2 LEU 22 51.807 6.053 -6.818 148 3HD2 LEU 22 HD2 LEU 22 52.372 7.720 -6.700 149 H THR 23 HN THR 23 51.270 2.862 -4.100 150 HA THR 23 HA THR 23 48.717 2.299 -2.703 151 HB THR 23 HB THR 23 48.067 3.617 -4.655 152 HG1 THR 23 HG1 THR 23 46.762 1.833 -4.179 153 1HG2 THR 23 HG21 THR 23 48.891 1.820 -6.750 154 2HG2 THR 23 HG22 THR 23 50.300 2.333 -5.823 155 3HG2 THR 23 HG23 THR 23 49.248 3.538 -6.565 156 H ASN 24 HN ASN 24 51.638 1.172 -3.438 157 HA ASN 24 HA ASN 24 50.709 -1.640 -3.501 158 1HB ASN 24 HB2 ASN 24 51.498 -0.189 -5.817 159 2HB ASN 24 HB1 ASN 24 52.796 -1.327 -5.456 160 1HD2 ASN 24 HD2 ASN 24 52.379 -2.998 -6.961 161 2HD2 ASN 24 HD2 ASN 24 50.906 -3.838 -7.055 162 H CYS 25 HN CYS 25 51.816 -0.893 -1.276 163 HA CYS 25 HA CYS 25 54.555 -2.013 -1.366 164 1HB CYS 25 HB2 CYS 25 53.813 0.825 -0.779 165 2HB CYS 25 HB1 CYS 25 55.135 0.098 0.135 166 H TYR 26 HN TYR 26 54.328 -3.584 0.149 167 HA TYR 26 HA TYR 26 52.775 -3.027 2.639 168 1HB TYR 26 HB2 TYR 26 53.664 -5.453 1.090 169 2HB TYR 26 HB1 TYR 26 53.244 -5.620 2.794 170 HD1 TYR 26 HD1 TYR 26 51.968 -5.485 -0.535 171 HD2 TYR 26 HD2 TYR 26 50.972 -4.574 3.543 172 HE1 TYR 26 HE1 TYR 26 49.559 -5.487 -1.122 173 HE2 TYR 26 HE2 TYR 26 48.563 -4.575 2.956 174 HH TYR 26 HH TYR 26 47.416 -4.340 -0.095 175 H VAL 27 HN VAL 27 54.336 -1.856 3.852 176 HA VAL 27 HA VAL 27 57.044 -3.055 4.154 177 HB VAL 27 HB VAL 27 55.980 -0.442 5.257 178 1HG1 VAL 27 HG11 VAL 27 58.647 -0.365 4.178 179 2HG1 VAL 27 HG12 VAL 27 58.506 -1.741 5.273 180 3HG1 VAL 27 HG13 VAL 27 58.121 -0.119 5.846 181 1HG2 VAL 27 HG21 VAL 27 55.512 0.134 3.113 182 2HG2 VAL 27 HG22 VAL 27 56.374 -1.259 2.460 183 3HG2 VAL 27 HG23 VAL 27 57.263 0.200 2.898 184 H ASP 28 HN ASP 28 57.962 -3.120 6.381 185 HA ASP 28 HA ASP 28 55.971 -3.397 8.588 186 1HB ASP 28 HB2 ASP 28 56.841 -5.534 7.155 187 2HB ASP 28 HB1 ASP 28 58.109 -5.448 8.379 188 H LYS 29 HN LYS 29 56.770 -2.071 10.205 189 HA LYS 29 HA LYS 29 58.348 -0.758 11.407 190 1HB LYS 29 HB2 LYS 29 58.369 -3.178 12.256 191 2HB LYS 29 HB1 LYS 29 59.855 -3.384 11.326 192 1HG LYS 29 HG2 LYS 29 60.956 -1.624 12.575 193 2HG LYS 29 HG1 LYS 29 59.454 -1.216 13.405 194 1HD LYS 29 HD2 LYS 29 60.158 -4.049 13.661 195 2HD LYS 29 HD1 LYS 29 61.378 -2.974 14.345 196 1HE LYS 29 HE2 LYS 29 58.594 -2.211 14.993 197 2HE LYS 29 HE1 LYS 29 59.126 -3.753 15.696 198 1HZ LYS 29 HZ1 LYS 29 59.821 -2.018 17.156 199 2HZ LYS 29 HZ2 LYS 29 60.504 -1.127 15.882 200 3HZ LYS 29 HZ3 LYS 29 61.206 -2.597 16.366 201 H SER 30 HN SER 30 58.837 0.316 9.168 202 HA SER 30 HA SER 30 61.739 -0.120 8.524 203 1HB SER 30 HB2 SER 30 59.628 0.716 6.541 204 2HB SER 30 HB1 SER 30 61.207 0.001 6.219 205 HG SER 30 HG SER 30 60.154 -1.819 6.205 206 H GLU 31 HN GLU 31 62.407 1.883 7.042 207 HA GLU 31 HA GLU 31 61.144 4.402 7.977 208 1HB GLU 31 HB2 GLU 31 63.825 3.308 8.672 209 2HB GLU 31 HB1 GLU 31 63.748 5.032 8.304 210 1HG GLU 31 HG2 GLU 31 63.078 5.313 10.445 211 2HG GLU 31 HG1 GLU 31 61.535 4.635 9.926 212 H VAL 32 HN VAL 32 60.549 4.903 5.794 213 HA VAL 32 HA VAL 32 62.758 4.892 3.784 214 HB VAL 32 HB VAL 32 61.052 4.714 2.162 215 1HG1 VAL 32 HG11 VAL 32 60.303 3.252 4.691 216 2HG1 VAL 32 HG12 VAL 32 61.036 2.621 3.217 217 3HG1 VAL 32 HG13 VAL 32 59.334 3.081 3.230 218 1HG2 VAL 32 HG21 VAL 32 59.070 5.647 4.261 219 2HG2 VAL 32 HG22 VAL 32 58.703 5.278 2.576 220 3HG2 VAL 32 HG23 VAL 32 59.737 6.651 2.972 221 H TYR 33 HN TYR 33 63.118 6.778 2.494 222 HA TYR 33 HA TYR 33 61.852 9.313 3.440 223 1HB TYR 33 HB2 TYR 33 64.080 8.752 4.573 224 2HB TYR 33 HB1 TYR 33 64.827 8.940 2.985 225 HD1 TYR 33 HD1 TYR 33 64.244 11.158 1.702 226 HD2 TYR 33 HD2 TYR 33 63.823 10.637 5.944 227 HE1 TYR 33 HE1 TYR 33 64.298 13.617 2.008 228 HE2 TYR 33 HE2 TYR 33 63.877 13.098 6.251 229 HH TYR 33 HH TYR 33 63.361 15.256 3.859 230 H GLY 34 HN GLY 34 61.461 10.718 1.722 231 1HA GLY 34 HA2 GLY 34 61.075 11.189 -0.569 232 2HA GLY 34 HA1 GLY 34 62.837 11.206 -0.592 233 H THR 35 HN THR 35 60.721 8.392 -0.070 234 HA THR 35 HA THR 35 62.133 7.001 -2.287 235 HB THR 35 HB THR 35 60.385 6.237 0.050 236 HG1 THR 35 HG1 THR 35 62.447 4.731 -0.088 237 1HG2 THR 35 HG21 THR 35 61.221 4.444 -2.249 238 2HG2 THR 35 HG22 THR 35 59.567 4.899 -1.837 239 3HG2 THR 35 HG23 THR 35 60.503 3.885 -0.738 240 H THR 36 HN THR 36 60.720 5.606 -3.736 241 HA THR 36 HA THR 36 58.315 7.168 -4.584 242 HB THR 36 HB THR 36 58.807 6.339 -6.765 243 HG1 THR 36 HG1 THR 36 59.700 4.453 -7.069 244 1HG2 THR 36 HG21 THR 36 60.496 7.960 -5.780 245 2HG2 THR 36 HG22 THR 36 61.089 6.984 -7.123 246 3HG2 THR 36 HG23 THR 36 61.531 6.566 -5.469 247 H CYS 37 HN CYS 37 59.431 3.762 -4.341 248 HA CYS 37 HA CYS 37 58.205 1.798 -3.852 249 1HB CYS 37 HB2 CYS 37 57.438 3.846 -2.134 250 2HB CYS 37 HB1 CYS 37 55.902 3.239 -2.748 251 H THR 38 HN THR 38 57.217 0.718 -5.512 252 HA THR 38 HA THR 38 54.557 1.393 -6.434 253 HB THR 38 HB THR 38 55.850 3.208 -7.478 254 HG1 THR 38 HG1 THR 38 55.037 1.153 -9.252 255 1HG2 THR 38 HG21 THR 38 57.832 1.241 -7.701 256 2HG2 THR 38 HG22 THR 38 57.910 2.887 -8.332 257 3HG2 THR 38 HG23 THR 38 57.341 1.573 -9.361 258 H GLY 39 HN GLY 39 55.101 -1.016 -5.599 259 1HA GLY 39 HA2 GLY 39 54.479 -3.098 -6.853 260 2HA GLY 39 HA1 GLY 39 55.697 -2.640 -8.042 261 H SER 40 HN SER 40 56.136 -2.308 -4.569 262 HA SER 40 HA SER 40 58.083 -4.596 -4.619 263 1HB SER 40 HB2 SER 40 59.759 -3.127 -4.238 264 2HB SER 40 HB1 SER 40 58.614 -1.834 -4.578 265 HG SER 40 HG SER 40 58.037 -1.927 -2.335 266 H ARG 41 HN ARG 41 58.822 -4.840 -2.129 267 HA ARG 41 HA ARG 41 56.520 -4.422 -0.286 268 1HB ARG 41 HB2 ARG 41 55.943 -6.581 -0.810 269 2HB ARG 41 HB1 ARG 41 57.541 -6.949 -1.452 270 1HG ARG 41 HG2 ARG 41 57.115 -8.285 0.563 271 2HG ARG 41 HG1 ARG 41 58.414 -7.133 0.864 272 1HD ARG 41 HD2 ARG 41 57.103 -5.813 2.277 273 2HD ARG 41 HD1 ARG 41 55.584 -6.343 1.520 274 HE ARG 41 HE ARG 41 56.788 -8.663 2.571 275 1HH1 ARG 41 HH2 ARG 41 56.232 -5.594 3.966 276 2HH1 ARG 41 HH2 ARG 41 55.476 -6.218 5.393 277 1HH2 ARG 41 HH1 ARG 41 55.527 -9.509 4.306 278 2HH2 ARG 41 HH1 ARG 41 55.075 -8.433 5.586 279 H PHE 42 HN PHE 42 57.353 -3.609 1.598 280 HA PHE 42 HA PHE 42 60.275 -3.962 2.102 281 1HB PHE 42 HB2 PHE 42 58.156 -1.947 2.772 282 2HB PHE 42 HB1 PHE 42 59.593 -2.049 3.788 283 HD1 PHE 42 HD1 PHE 42 59.241 -2.584 0.099 284 HD2 PHE 42 HD2 PHE 42 60.876 -0.163 3.251 285 HE1 PHE 42 HE1 PHE 42 60.534 -1.281 -1.577 286 HE2 PHE 42 HE2 PHE 42 62.166 1.139 1.581 287 HZ PHE 42 HZ PHE 42 61.998 0.581 -0.831 288 H ASP 43 HN ASP 43 60.929 -4.291 4.371 289 HA ASP 43 HA ASP 43 59.034 -5.172 6.391 290 1HB ASP 43 HB2 ASP 43 59.502 -6.971 4.377 291 2HB ASP 43 HB1 ASP 43 60.760 -7.421 5.527 292 H GLY 44 HN GLY 44 60.236 -4.001 7.926 293 1HA GLY 44 HA2 GLY 44 62.021 -3.539 9.390 294 2HA GLY 44 HA1 GLY 44 62.634 -5.149 8.989 295 H VAL 45 HN VAL 45 62.338 -1.912 7.474 296 HA VAL 45 HA VAL 45 65.156 -2.212 6.539 297 HB VAL 45 HB VAL 45 62.620 -1.979 4.937 298 1HG1 VAL 45 HG11 VAL 45 65.029 -0.439 4.457 299 2HG1 VAL 45 HG12 VAL 45 63.502 -0.417 3.576 300 3HG1 VAL 45 HG13 VAL 45 64.755 -1.583 3.145 301 1HG2 VAL 45 HG21 VAL 45 63.783 -4.163 5.315 302 2HG2 VAL 45 HG22 VAL 45 65.194 -3.510 4.482 303 3HG2 VAL 45 HG23 VAL 45 63.673 -3.717 3.612 304 H THR 46 HN THR 46 66.228 -0.310 6.907 305 HA THR 46 HA THR 46 64.600 2.183 7.232 306 HB THR 46 HB THR 46 67.405 1.506 8.184 307 HG1 THR 46 HG1 THR 46 65.281 1.839 9.934 308 1HG2 THR 46 HG21 THR 46 66.082 3.961 7.873 309 2HG2 THR 46 HG22 THR 46 67.547 3.662 8.812 310 3HG2 THR 46 HG23 THR 46 65.968 3.590 9.595 311 H ILE 47 HN ILE 47 64.556 2.579 4.941 312 HA ILE 47 HA ILE 47 67.197 3.121 3.638 313 HB ILE 47 HB ILE 47 65.774 2.899 1.570 314 1HG1 ILE 47 HG12 ILE 47 63.526 1.647 2.896 315 2HG1 ILE 47 HG11 ILE 47 63.713 3.308 3.467 316 1HG2 ILE 47 HG21 ILE 47 66.705 0.844 1.970 317 2HG2 ILE 47 HG22 ILE 47 65.037 0.409 2.315 318 3HG2 ILE 47 HG23 ILE 47 66.141 0.795 3.637 319 1HD1 ILE 47 HD1 ILE 47 62.313 3.406 1.516 320 2HD1 ILE 47 HD1 ILE 47 63.412 2.370 0.604 321 3HD1 ILE 47 HD1 ILE 47 63.899 4.008 1.034 322 H THR 48 HN THR 48 67.411 5.134 2.435 323 HA THR 48 HA THR 48 65.587 7.296 3.418 324 HB THR 48 HB THR 48 68.179 7.120 3.833 325 HG1 THR 48 HG1 THR 48 68.261 9.455 3.580 326 1HG2 THR 48 HG21 THR 48 68.306 6.939 1.137 327 2HG2 THR 48 HG22 THR 48 69.611 7.606 2.119 328 3HG2 THR 48 HG23 THR 48 68.464 8.685 1.330 329 H THR 49 HN THR 49 66.668 9.139 1.369 330 HA THR 49 HA THR 49 64.758 9.103 -0.649 331 HB THR 49 HB THR 49 67.689 9.847 -0.873 332 HG1 THR 49 HG1 THR 49 66.888 10.936 0.827 333 1HG2 THR 49 HG21 THR 49 67.210 10.822 -2.853 334 2HG2 THR 49 HG22 THR 49 65.703 11.504 -2.241 335 3HG2 THR 49 HG23 THR 49 65.741 9.847 -2.845 336 H SER 50 HN SER 50 64.391 6.821 -1.275 337 HA SER 50 HA SER 50 66.409 5.921 -3.297 338 1HB SER 50 HB2 SER 50 66.318 4.891 -0.813 339 2HB SER 50 HB1 SER 50 65.086 3.887 -1.572 340 HG SER 50 HG SER 50 67.765 4.286 -2.435 341 H THR 51 HN THR 51 65.491 5.162 -5.149 342 HA THR 51 HA THR 51 62.514 4.849 -5.219 343 HB THR 51 HB THR 51 64.579 5.429 -7.376 344 HG1 THR 51 HG1 THR 51 63.817 7.025 -5.627 345 1HG2 THR 51 HG21 THR 51 62.777 4.336 -8.452 346 2HG2 THR 51 HG22 THR 51 62.433 6.053 -8.656 347 3HG2 THR 51 HG23 THR 51 61.579 5.122 -7.425 348 H SER 52 HN SER 52 63.487 2.622 -4.191 349 HA SER 52 HA SER 52 64.061 0.758 -6.465 350 1HB SER 52 HB2 SER 52 64.649 0.520 -3.501 351 2HB SER 52 HB1 SER 52 65.176 -0.603 -4.751 352 HG SER 52 HG SER 52 66.107 1.443 -5.714 353 H THR 53 HN THR 53 62.205 -0.318 -7.027 354 HA THR 53 HA THR 53 60.506 -1.391 -4.806 355 HB THR 53 HB THR 53 58.545 -0.767 -6.113 356 HG1 THR 53 HG1 THR 53 60.235 0.417 -8.025 357 1HG2 THR 53 HG21 THR 53 59.671 0.991 -4.710 358 2HG2 THR 53 HG22 THR 53 58.741 1.648 -6.057 359 3HG2 THR 53 HG23 THR 53 60.499 1.550 -6.163 360 H GLY 54 HN GLY 54 58.725 -2.651 -6.825 361 1HA GLY 54 HA2 GLY 54 58.648 -4.529 -8.263 362 2HA GLY 54 HA1 GLY 54 60.384 -4.352 -8.518 363 H SER 55 HN SER 55 61.693 -4.885 -6.410 364 HA SER 55 HA SER 55 60.699 -7.513 -5.404 365 1HB SER 55 HB2 SER 55 62.829 -7.916 -6.180 366 2HB SER 55 HB1 SER 55 63.312 -6.234 -6.005 367 HG SER 55 HG SER 55 64.171 -6.769 -4.179 368 H ARG 56 HN ARG 56 61.435 -7.950 -3.047 369 HA ARG 56 HA ARG 56 60.726 -5.556 -1.404 370 1HB ARG 56 HB2 ARG 56 60.154 -7.313 0.273 371 2HB ARG 56 HB1 ARG 56 59.289 -7.535 -1.247 372 1HG ARG 56 HG2 ARG 56 60.542 -9.391 -1.850 373 2HG ARG 56 HG1 ARG 56 61.941 -8.882 -0.902 374 1HD ARG 56 HD2 ARG 56 61.178 -9.907 0.994 375 2HD ARG 56 HD1 ARG 56 59.496 -9.432 0.684 376 HE ARG 56 HE ARG 56 60.614 -11.445 -1.161 377 1HH1 ARG 56 HH1 ARG 56 57.848 -10.522 0.353 378 2HH1 ARG 56 HH1 ARG 56 57.381 -12.091 0.916 379 1HH2 ARG 56 HH2 ARG 56 60.416 -13.571 0.124 380 2HH2 ARG 56 HH2 ARG 56 58.834 -13.819 0.784 381 H ILE 57 HN ILE 57 61.917 -5.234 0.622 382 HA ILE 57 HA ILE 57 64.682 -6.398 0.575 383 HB ILE 57 HB ILE 57 63.669 -3.606 1.161 384 1HG1 ILE 57 HG12 ILE 57 65.171 -4.979 -0.998 385 2HG1 ILE 57 HG11 ILE 57 64.164 -3.537 -1.076 386 1HG2 ILE 57 HG21 ILE 57 65.354 -4.479 2.876 387 2HG2 ILE 57 HG22 ILE 57 65.842 -3.028 2.002 388 3HG2 ILE 57 HG23 ILE 57 66.507 -4.597 1.546 389 1HD1 ILE 57 HD1 ILE 57 66.413 -2.831 -1.546 390 2HD1 ILE 57 HD1 ILE 57 67.043 -3.728 -0.162 391 3HD1 ILE 57 HD1 ILE 57 66.049 -2.293 0.096 392 H SER 58 HN SER 58 65.631 -6.703 2.693 393 HA SER 58 HA SER 58 63.810 -6.418 5.035 394 1HB SER 58 HB2 SER 58 63.890 -8.735 3.594 395 2HB SER 58 HB1 SER 58 65.173 -9.038 4.763 396 HG SER 58 HG SER 58 63.725 -9.180 6.287 397 H GLY 59 HN GLY 59 65.001 -6.619 7.095 398 1HA GLY 59 HA2 GLY 59 67.628 -7.292 7.543 399 2HA GLY 59 HA1 GLY 59 67.763 -5.675 6.852 400 HA PRO 60 HA PRO 60 66.030 -5.633 11.339 401 1HB PRO 60 HB2 PRO 60 68.067 -6.524 12.941 402 2HB PRO 60 HB1 PRO 60 66.768 -7.584 12.357 403 1HG PRO 60 HG2 PRO 60 69.551 -7.270 11.347 404 2HG PRO 60 HG1 PRO 60 68.573 -8.735 11.519 405 1HD PRO 60 HD2 PRO 60 68.961 -7.466 9.140 406 2HD PRO 60 HD1 PRO 60 67.507 -8.417 9.515 407 H GLY 61 HN GLY 61 68.750 -4.790 9.562 408 1HA GLY 61 HA2 GLY 61 68.957 -2.176 10.816 409 2HA GLY 61 HA1 GLY 61 70.403 -3.171 11.037 410 H CYS 62 HN CYS 62 68.272 -3.305 8.224 411 HA CYS 62 HA CYS 62 70.478 -3.085 6.365 412 1HB CYS 62 HB2 CYS 62 68.514 -4.352 5.817 413 2HB CYS 62 HB1 CYS 62 67.452 -2.996 6.185 414 H LYS 63 HN LYS 63 71.023 -1.312 5.019 415 HA LYS 63 HA LYS 63 69.565 1.258 5.392 416 1HB LYS 63 HB2 LYS 63 71.907 0.564 6.759 417 2HB LYS 63 HB1 LYS 63 72.463 1.594 5.439 418 1HG LYS 63 HG2 LYS 63 71.833 3.351 6.710 419 2HG LYS 63 HG1 LYS 63 70.169 2.877 6.362 420 1HD LYS 63 HD2 LYS 63 69.837 2.259 8.499 421 2HD LYS 63 HD1 LYS 63 71.256 1.211 8.459 422 1HE LYS 63 HE2 LYS 63 71.945 4.069 8.561 423 2HE LYS 63 HE1 LYS 63 71.052 3.503 9.987 424 1HZ LYS 63 HZ1 LYS 63 72.602 1.475 9.805 425 2HZ LYS 63 HZ2 LYS 63 73.221 2.905 10.482 426 3HZ LYS 63 HZ3 LYS 63 73.593 2.491 8.877 427 H ILE 64 HN ILE 64 69.155 1.968 3.346 428 HA ILE 64 HA ILE 64 71.000 1.166 1.136 429 HB ILE 64 HB ILE 64 68.405 0.763 1.362 430 1HG1 ILE 64 HG12 ILE 64 69.143 1.943 -1.287 431 2HG1 ILE 64 HG11 ILE 64 70.070 0.561 -0.698 432 1HG2 ILE 64 HG21 ILE 64 67.767 3.066 1.826 433 2HG2 ILE 64 HG22 ILE 64 67.104 2.587 0.263 434 3HG2 ILE 64 HG23 ILE 64 68.539 3.611 0.337 435 1HD1 ILE 64 HD1 ILE 64 68.403 -0.803 -1.351 436 2HD1 ILE 64 HD1 ILE 64 67.433 0.584 -1.847 437 3HD1 ILE 64 HD1 ILE 64 67.334 -0.015 -0.189 438 H SER 65 HN SER 65 70.930 3.020 -0.700 439 HA SER 65 HA SER 65 70.982 5.736 0.498 440 1HB SER 65 HB2 SER 65 73.186 5.129 0.988 441 2HB SER 65 HB1 SER 65 73.331 4.119 -0.446 442 HG SER 65 HG SER 65 73.762 6.811 -0.112 443 H THR 66 HN THR 66 69.119 5.161 -1.326 444 HA THR 66 HA THR 66 68.273 5.960 -3.385 445 HB THR 66 HB THR 66 70.967 7.206 -3.865 446 HG1 THR 66 HG1 THR 66 70.232 8.874 -2.416 447 1HG2 THR 66 HG21 THR 66 68.419 7.422 -5.014 448 2HG2 THR 66 HG22 THR 66 69.792 8.496 -5.288 449 3HG2 THR 66 HG23 THR 66 68.603 8.882 -4.043 450 H CYS 67 HN CYS 67 68.369 3.687 -4.156 451 HA CYS 67 HA CYS 67 70.638 3.162 -6.041 452 1HB CYS 67 HB2 CYS 67 68.595 1.293 -4.788 453 2HB CYS 67 HB1 CYS 67 69.975 0.805 -5.771 454 H ILE 68 HN ILE 68 68.968 1.085 -7.395 455 HA ILE 68 HA ILE 68 67.135 2.926 -8.905 456 HB ILE 68 HB ILE 68 69.117 0.814 -9.738 457 1HG1 ILE 68 HG12 ILE 68 69.685 3.279 -9.586 458 2HG1 ILE 68 HG11 ILE 68 69.924 2.571 -11.184 459 1HG2 ILE 68 HG21 ILE 68 66.993 0.231 -10.852 460 2HG2 ILE 68 HG22 ILE 68 68.148 0.884 -12.013 461 3HG2 ILE 68 HG23 ILE 68 66.829 1.892 -11.419 462 1HD1 ILE 68 HD1 ILE 68 67.471 4.126 -10.306 463 2HD1 ILE 68 HD1 ILE 68 67.734 3.435 -11.908 464 3HD1 ILE 68 HD1 ILE 68 68.759 4.750 -11.334 465 H ILE 69 HN ILE 69 65.247 1.873 -9.870 466 HA ILE 69 HA ILE 69 63.750 0.206 -8.177 467 HB ILE 69 HB ILE 69 62.714 1.467 -9.924 468 1HG1 ILE 69 HG12 ILE 69 62.629 -1.463 -10.717 469 2HG1 ILE 69 HG11 ILE 69 61.663 -0.730 -9.435 470 1HG2 ILE 69 HG21 ILE 69 64.881 0.267 -11.524 471 2HG2 ILE 69 HG22 ILE 69 64.069 1.820 -11.717 472 3HG2 ILE 69 HG23 ILE 69 63.329 0.352 -12.356 473 1HD1 ILE 69 HD1 ILE 69 61.339 0.877 -11.762 474 2HD1 ILE 69 HD1 ILE 69 60.128 -0.122 -10.959 475 3HD1 ILE 69 HD1 ILE 69 61.119 -0.804 -12.249 476 H THR 70 HN THR 70 63.442 -2.045 -8.054 477 HA THR 70 HA THR 70 65.003 -3.789 -9.891 478 HB THR 70 HB THR 70 66.533 -3.247 -8.089 479 HG1 THR 70 HG1 THR 70 66.711 -5.352 -7.143 480 1HG2 THR 70 HG21 THR 70 64.163 -3.040 -6.581 481 2HG2 THR 70 HG22 THR 70 65.811 -2.772 -6.011 482 3HG2 THR 70 HG23 THR 70 65.072 -4.366 -5.858 483 H GLY 71 HN GLY 71 63.275 -5.054 -10.600 484 1HA GLY 71 HA2 GLY 71 61.274 -5.992 -8.618 485 2HA GLY 71 HA1 GLY 71 61.163 -6.200 -10.370 486 H GLY 72 HN GLY 72 63.436 -7.112 -7.757 487 1HA GLY 72 HA2 GLY 72 64.228 -9.289 -7.209 488 2HA GLY 72 HA1 GLY 72 63.239 -9.945 -8.523 489 H VAL 73 HN VAL 73 65.433 -7.238 -8.818 490 HA VAL 73 HA VAL 73 67.256 -8.882 -10.543 491 HB VAL 73 HB VAL 73 67.260 -6.694 -11.935 492 1HG1 VAL 73 HG11 VAL 73 66.069 -8.864 -12.506 493 2HG1 VAL 73 HG12 VAL 73 65.341 -7.411 -13.195 494 3HG1 VAL 73 HG13 VAL 73 64.621 -8.170 -11.775 495 1HG2 VAL 73 HG21 VAL 73 64.748 -6.288 -10.268 496 2HG2 VAL 73 HG22 VAL 73 65.224 -5.311 -11.658 497 3HG2 VAL 73 HG23 VAL 73 66.199 -5.290 -10.190 498 HA PRO 74 HA PRO 74 70.454 -6.713 -8.397 499 1HB PRO 74 HB2 PRO 74 72.434 -6.715 -10.276 500 2HB PRO 74 HB1 PRO 74 71.933 -8.183 -9.417 501 1HG PRO 74 HG2 PRO 74 71.333 -7.315 -12.180 502 2HG PRO 74 HG1 PRO 74 71.533 -8.945 -11.524 503 1HD PRO 74 HD2 PRO 74 69.102 -7.715 -12.104 504 2HD PRO 74 HD1 PRO 74 69.320 -9.141 -11.069 505 H ALA 75 HN ALA 75 69.944 -5.673 -11.771 506 HA ALA 75 HA ALA 75 69.837 -3.517 -12.720 507 1HB ALA 75 HB1 ALA 75 68.709 -3.476 -10.102 508 2HB ALA 75 HB2 ALA 75 68.346 -2.399 -11.452 509 3HB ALA 75 HB3 ALA 75 69.620 -1.980 -10.308 510 HA PRO 76 HA PRO 76 73.926 -1.985 -12.382 511 1HB PRO 76 HB2 PRO 76 73.625 0.450 -13.594 512 2HB PRO 76 HB1 PRO 76 73.621 -1.085 -14.485 513 1HG PRO 76 HG2 PRO 76 71.340 0.635 -13.670 514 2HG PRO 76 HG1 PRO 76 71.567 -0.322 -15.141 515 1HD PRO 76 HD2 PRO 76 69.993 -1.090 -13.028 516 2HD PRO 76 HD1 PRO 76 70.730 -2.216 -14.188 517 H SER 77 HN SER 77 72.947 -1.778 -9.898 518 HA SER 77 HA SER 77 73.320 1.097 -9.112 519 1HB SER 77 HB2 SER 77 71.995 -0.935 -7.352 520 2HB SER 77 HB1 SER 77 71.663 0.788 -7.510 521 HG SER 77 HG SER 77 70.832 -1.371 -9.084 522 H ALA 78 HN ALA 78 75.098 -1.569 -9.367 523 HA ALA 78 HA ALA 78 76.116 -2.344 -6.883 524 1HB ALA 78 HB1 ALA 78 77.097 -2.046 -9.666 525 2HB ALA 78 HB2 ALA 78 77.163 -3.450 -8.600 526 3HB ALA 78 HB3 ALA 78 78.358 -2.163 -8.440 527 H ALA 79 HN ALA 79 76.379 0.740 -8.486 528 HA ALA 79 HA ALA 79 78.606 1.742 -6.875 529 1HB ALA 79 HB1 ALA 79 76.640 2.779 -8.904 530 2HB ALA 79 HB2 ALA 79 78.401 2.712 -8.998 531 3HB ALA 79 HB3 ALA 79 77.618 3.925 -7.985 532 H CYS 80 HN CYS 80 75.383 1.103 -6.188 533 HA CYS 80 HA CYS 80 74.736 3.457 -4.592 534 1HB CYS 80 HB2 CYS 80 73.303 1.532 -5.770 535 2HB CYS 80 HB1 CYS 80 73.467 0.775 -4.185 536 H LYS 81 HN LYS 81 74.013 2.800 -2.160 537 HA LYS 81 HA LYS 81 76.332 1.343 -0.929 538 1HB LYS 81 HB2 LYS 81 75.393 4.068 -0.708 539 2HB LYS 81 HB1 LYS 81 75.314 3.276 0.867 540 1HG LYS 81 HG2 LYS 81 77.515 4.131 0.776 541 2HG LYS 81 HG1 LYS 81 77.702 2.431 0.343 542 1HD LYS 81 HD2 LYS 81 77.110 3.895 -2.042 543 2HD LYS 81 HD1 LYS 81 78.417 4.726 -1.200 544 1HE LYS 81 HE2 LYS 81 78.465 1.727 -1.623 545 2HE LYS 81 HE1 LYS 81 79.137 2.859 -2.814 546 1HZ LYS 81 HZ1 LYS 81 80.004 2.329 -0.062 547 2HZ LYS 81 HZ2 LYS 81 80.181 3.907 -0.667 548 3HZ LYS 81 HZ3 LYS 81 80.938 2.604 -1.452 549 H ILE 82 HN ILE 82 75.355 -0.575 -0.296 550 HA ILE 82 HA ILE 82 72.908 -0.342 1.425 551 HB ILE 82 HB ILE 82 72.547 -1.253 -0.900 552 1HG1 ILE 82 HG12 ILE 82 71.340 -3.313 -0.124 553 2HG1 ILE 82 HG11 ILE 82 72.150 -3.150 1.437 554 1HG2 ILE 82 HG21 ILE 82 73.418 -3.568 -1.309 555 2HG2 ILE 82 HG22 ILE 82 74.394 -3.416 0.152 556 3HG2 ILE 82 HG23 ILE 82 74.693 -2.353 -1.222 557 1HD1 ILE 82 HD1 ILE 82 70.813 -0.701 0.453 558 2HD1 ILE 82 HD1 ILE 82 70.848 -1.389 2.076 559 3HD1 ILE 82 HD1 ILE 82 69.733 -2.031 0.869 560 H SER 83 HN SER 83 72.964 -1.586 3.319 561 HA SER 83 HA SER 83 75.257 -3.460 3.715 562 1HB SER 83 HB2 SER 83 76.093 -1.404 4.572 563 2HB SER 83 HB1 SER 83 74.536 -0.975 5.277 564 HG SER 83 HG SER 83 76.458 -2.839 6.136 565 H GLY 84 HN GLY 84 74.450 -5.329 4.586 566 1HA GLY 84 HA2 GLY 84 73.071 -6.785 5.808 567 2HA GLY 84 HA1 GLY 84 72.661 -5.397 6.821 568 H CYS 85 HN CYS 85 72.003 -6.495 3.471 569 HA CYS 85 HA CYS 85 69.102 -6.013 3.976 570 1HB CYS 85 HB2 CYS 85 70.706 -4.893 1.654 571 2HB CYS 85 HB1 CYS 85 68.987 -4.638 1.951 572 H THR 86 HN THR 86 67.747 -7.269 2.641 573 HA THR 86 HA THR 86 69.120 -9.280 0.882 574 HB THR 86 HB THR 86 68.049 -10.097 3.015 575 HG1 THR 86 HG1 THR 86 68.007 -11.159 0.757 576 1HG2 THR 86 HG21 THR 86 66.247 -8.495 3.212 577 2HG2 THR 86 HG22 THR 86 65.535 -10.099 3.037 578 3HG2 THR 86 HG23 THR 86 65.575 -8.997 1.661 579 H PHE 87 HN PHE 87 67.847 -9.860 -1.087 580 HA PHE 87 HA PHE 87 65.783 -7.795 -1.784 581 1HB PHE 87 HB2 PHE 87 67.698 -8.878 -3.826 582 2HB PHE 87 HB1 PHE 87 66.887 -7.316 -3.783 583 HD1 PHE 87 HD1 PHE 87 69.986 -8.833 -3.469 584 HD2 PHE 87 HD2 PHE 87 67.523 -5.915 -1.487 585 HE1 PHE 87 HE1 PHE 87 72.004 -7.825 -2.439 586 HE2 PHE 87 HE2 PHE 87 69.551 -4.906 -0.464 587 HZ PHE 87 HZ PHE 87 71.785 -5.864 -0.939 588 H SER 88 HN SER 88 64.156 -8.526 -3.272 589 HA SER 88 HA SER 88 64.176 -11.195 -4.424 590 1HB SER 88 HB2 SER 88 63.005 -10.643 -1.735 591 2HB SER 88 HB1 SER 88 62.087 -11.701 -2.802 592 HG SER 88 HG SER 88 64.860 -12.034 -2.352 593 H ALA 89 HN ALA 89 62.905 -10.952 -6.222 594 HA ALA 89 HA ALA 89 61.408 -8.749 -6.986 595 1HB ALA 89 HB1 ALA 89 61.375 -10.153 -8.755 596 2HB ALA 89 HB2 ALA 89 60.053 -11.021 -7.974 597 3HB ALA 89 HB3 ALA 89 61.720 -11.533 -7.712 598 H ASN 90 HN ASN 90 59.225 -8.107 -6.781 599 HA ASN 90 HA ASN 90 57.475 -9.700 -4.958 600 1HB ASN 90 HB2 ASN 90 58.475 -8.171 -3.455 601 2HB ASN 90 HB1 ASN 90 58.483 -6.867 -4.644 602 1HD2 ASN 90 HD2 ASN 90 56.307 -5.922 -5.218 603 2HD2 ASN 90 HD2 ASN 90 55.052 -5.988 -4.077 Start of MODEL 12 1 1H ASP 1 HT1 ASP 1 47.220 8.185 2.579 2 2H ASP 1 HT2 ASP 1 47.321 9.853 2.274 3 3H ASP 1 HT3 ASP 1 46.646 8.812 1.112 4 HA ASP 1 HA ASP 1 45.124 10.232 2.716 5 1HB ASP 1 HB2 ASP 1 44.563 8.675 0.832 6 2HB ASP 1 HB1 ASP 1 44.679 7.324 1.962 7 H GLY 2 HN GLY 2 47.170 9.454 4.566 8 1HA GLY 2 HA2 GLY 2 45.495 8.572 6.789 9 2HA GLY 2 HA1 GLY 2 46.737 7.399 6.345 10 H SER 3 HN SER 3 47.668 7.811 8.492 11 HA SER 3 HA SER 3 48.519 10.152 9.662 12 1HB SER 3 HB2 SER 3 48.892 7.810 10.446 13 2HB SER 3 HB1 SER 3 50.179 7.642 9.256 14 HG SER 3 HG SER 3 50.674 8.349 11.547 15 H CYS 4 HN CYS 4 50.423 8.387 7.179 16 HA CYS 4 HA CYS 4 51.615 11.012 6.366 17 1HB CYS 4 HB2 CYS 4 53.034 8.386 6.925 18 2HB CYS 4 HB1 CYS 4 53.811 9.830 6.275 19 H THR 5 HN THR 5 52.377 7.706 5.316 20 HA THR 5 HA THR 5 51.257 8.395 2.615 21 HB THR 5 HB THR 5 53.703 8.410 2.669 22 HG1 THR 5 HG1 THR 5 52.493 7.314 0.932 23 1HG2 THR 5 HG21 THR 5 54.058 7.063 4.664 24 2HG2 THR 5 HG22 THR 5 54.924 6.330 3.314 25 3HG2 THR 5 HG23 THR 5 53.395 5.641 3.858 26 H ASN 6 HN ASN 6 49.459 7.201 4.226 27 HA ASN 6 HA ASN 6 49.681 4.252 3.876 28 1HB ASN 6 HB2 ASN 6 48.798 5.935 5.906 29 2HB ASN 6 HB1 ASN 6 47.300 5.347 5.185 30 1HD2 ASN 6 HD2 ASN 6 50.421 3.574 5.410 31 2HD2 ASN 6 HD2 ASN 6 49.810 2.321 6.378 32 H THR 7 HN THR 7 49.221 4.066 1.633 33 HA THR 7 HA THR 7 46.380 4.657 0.894 34 HB THR 7 HB THR 7 47.936 6.357 -0.026 35 HG1 THR 7 HG1 THR 7 46.599 6.242 -1.620 36 1HG2 THR 7 HG21 THR 7 49.329 4.882 -1.981 37 2HG2 THR 7 HG22 THR 7 49.547 3.999 -0.470 38 3HG2 THR 7 HG23 THR 7 50.013 5.698 -0.575 39 H ASN 8 HN ASN 8 47.307 3.606 -1.861 40 HA ASN 8 HA ASN 8 46.337 1.043 -1.912 41 1HB ASN 8 HB2 ASN 8 48.509 2.504 -3.353 42 2HB ASN 8 HB1 ASN 8 48.349 0.775 -3.663 43 1HD2 ASN 8 HD2 ASN 8 47.716 1.776 -5.912 44 2HD2 ASN 8 HD2 ASN 8 46.069 2.116 -6.142 45 H SER 9 HN SER 9 49.430 2.031 -0.543 46 HA SER 9 HA SER 9 50.125 -0.836 -0.027 47 1HB SER 9 HB2 SER 9 51.858 1.622 0.292 48 2HB SER 9 HB1 SER 9 52.379 -0.050 0.118 49 HG SER 9 HG SER 9 51.034 0.241 -1.980 50 H GLN 10 HN GLN 10 51.824 -0.470 2.121 51 HA GLN 10 HA GLN 10 50.217 0.864 4.254 52 1HB GLN 10 HB2 GLN 10 49.617 -1.575 3.965 53 2HB GLN 10 HB1 GLN 10 51.286 -1.973 4.373 54 1HG GLN 10 HG2 GLN 10 50.818 -1.792 6.565 55 2HG GLN 10 HG1 GLN 10 50.274 -0.131 6.328 56 1HE2 GLN 10 HE21 GLN 10 47.957 0.217 5.906 57 2HE2 GLN 10 HE22 GLN 10 46.816 -0.986 6.272 58 H LEU 11 HN LEU 11 51.591 2.050 5.531 59 HA LEU 11 HA LEU 11 54.510 1.707 5.227 60 1HB LEU 11 HB2 LEU 11 53.273 3.906 5.212 61 2HB LEU 11 HB1 LEU 11 52.889 3.640 6.913 62 HG LEU 11 HG LEU 11 55.233 3.634 7.509 63 1HD1 LEU 11 HD1 LEU 11 56.179 2.479 5.614 64 2HD1 LEU 11 HD1 LEU 11 56.946 4.066 5.697 65 3HD1 LEU 11 HD1 LEU 11 55.675 3.761 4.514 66 1HD2 LEU 11 HD2 LEU 11 55.253 5.913 5.598 67 2HD2 LEU 11 HD2 LEU 11 55.527 5.905 7.341 68 3HD2 LEU 11 HD2 LEU 11 53.883 5.842 6.707 69 H SER 12 HN SER 12 52.707 -0.262 6.752 70 HA SER 12 HA SER 12 52.933 -1.582 8.699 71 1HB SER 12 HB2 SER 12 55.343 -1.303 7.876 72 2HB SER 12 HB1 SER 12 55.495 -0.006 9.060 73 HG SER 12 HG SER 12 54.639 -2.644 9.667 74 H ALA 13 HN ALA 13 52.170 1.547 8.701 75 HA ALA 13 HA ALA 13 51.633 3.170 10.348 76 1HB ALA 13 HB1 ALA 13 50.712 0.446 11.167 77 2HB ALA 13 HB2 ALA 13 49.760 1.867 10.731 78 3HB ALA 13 HB3 ALA 13 50.507 1.761 12.325 79 H ASN 14 HN ASN 14 54.420 1.933 10.548 80 HA ASN 14 HA ASN 14 55.055 3.022 13.203 81 1HB ASN 14 HB2 ASN 14 54.256 0.700 13.615 82 2HB ASN 14 HB1 ASN 14 55.519 0.098 12.539 83 1HD2 ASN 14 HD2 ASN 14 57.710 0.076 13.324 84 2HD2 ASN 14 HD2 ASN 14 58.105 0.449 14.932 85 H SER 15 HN SER 15 55.831 2.962 10.105 86 HA SER 15 HA SER 15 58.762 2.535 10.422 87 1HB SER 15 HB2 SER 15 57.332 3.303 7.885 88 2HB SER 15 HB1 SER 15 58.755 2.283 8.079 89 HG SER 15 HG SER 15 56.616 1.252 7.641 90 H LYS 16 HN LYS 16 58.963 4.524 8.051 91 HA LYS 16 HA LYS 16 58.912 7.006 9.739 92 1HB LYS 16 HB2 LYS 16 61.141 6.048 9.018 93 2HB LYS 16 HB1 LYS 16 60.660 6.344 7.347 94 1HG LYS 16 HG2 LYS 16 61.487 8.427 7.583 95 2HG LYS 16 HG1 LYS 16 60.125 8.755 8.656 96 1HD LYS 16 HD2 LYS 16 61.691 7.545 10.437 97 2HD LYS 16 HD1 LYS 16 62.959 8.092 9.341 98 1HE LYS 16 HE2 LYS 16 62.219 10.405 9.545 99 2HE LYS 16 HE1 LYS 16 60.821 9.905 10.518 100 1HZ LYS 16 HZ1 LYS 16 62.226 10.206 12.232 101 2HZ LYS 16 HZ2 LYS 16 63.618 10.086 11.267 102 3HZ LYS 16 HZ3 LYS 16 62.824 8.681 11.798 103 H CYS 17 HN CYS 17 57.891 8.822 8.850 104 HA CYS 17 HA CYS 17 56.032 8.371 6.672 105 1HB CYS 17 HB2 CYS 17 56.906 10.830 8.223 106 2HB CYS 17 HB1 CYS 17 55.535 10.800 7.114 107 H GLU 18 HN GLU 18 57.273 7.936 4.786 108 HA GLU 18 HA GLU 18 59.323 9.859 3.893 109 1HB GLU 18 HB2 GLU 18 59.640 8.224 2.140 110 2HB GLU 18 HB1 GLU 18 59.384 7.344 3.644 111 1HG GLU 18 HG2 GLU 18 57.601 6.304 2.757 112 2HG GLU 18 HG1 GLU 18 56.828 7.863 2.470 113 H LYS 19 HN LYS 19 58.501 9.367 1.051 114 HA LYS 19 HA LYS 19 56.829 11.728 0.701 115 1HB LYS 19 HB2 LYS 19 58.719 10.274 -0.733 116 2HB LYS 19 HB1 LYS 19 57.216 9.959 -1.601 117 1HG LYS 19 HG2 LYS 19 57.028 12.658 -1.106 118 2HG LYS 19 HG1 LYS 19 58.760 12.454 -1.374 119 1HD LYS 19 HD2 LYS 19 58.489 11.925 -3.574 120 2HD LYS 19 HD1 LYS 19 57.016 11.001 -3.271 121 1HE LYS 19 HE2 LYS 19 55.683 12.789 -3.724 122 2HE LYS 19 HE1 LYS 19 56.706 13.892 -2.782 123 1HZ LYS 19 HZ1 LYS 19 57.124 14.581 -4.931 124 2HZ LYS 19 HZ2 LYS 19 57.014 13.013 -5.578 125 3HZ LYS 19 HZ3 LYS 19 58.385 13.473 -4.686 126 H SER 20 HN SER 20 55.223 10.948 -1.474 127 HA SER 20 HA SER 20 53.048 9.534 -0.060 128 1HB SER 20 HB2 SER 20 51.961 11.133 -1.239 129 2HB SER 20 HB1 SER 20 53.410 11.489 -2.176 130 HG SER 20 HG SER 20 51.650 10.692 -3.450 131 H THR 21 HN THR 21 51.777 7.895 -1.467 132 HA THR 21 HA THR 21 53.602 6.269 -3.191 133 HB THR 21 HB THR 21 51.987 5.428 -0.772 134 HG1 THR 21 HG1 THR 21 53.892 5.175 0.094 135 1HG2 THR 21 HG21 THR 21 53.410 3.229 -1.853 136 2HG2 THR 21 HG22 THR 21 52.506 3.952 -3.185 137 3HG2 THR 21 HG23 THR 21 51.662 3.422 -1.730 138 H LEU 22 HN LEU 22 52.524 5.261 -4.913 139 HA LEU 22 HA LEU 22 49.537 5.468 -4.982 140 1HB LEU 22 HB2 LEU 22 51.372 7.095 -6.332 141 2HB LEU 22 HB1 LEU 22 50.844 5.932 -7.547 142 HG LEU 22 HG LEU 22 49.391 7.967 -7.452 143 1HD1 LEU 22 HD1 LEU 22 47.545 6.718 -7.961 144 2HD1 LEU 22 HD1 LEU 22 47.613 5.818 -6.447 145 3HD1 LEU 22 HD1 LEU 22 48.666 5.368 -7.789 146 1HD2 LEU 22 HD2 LEU 22 49.669 7.635 -4.702 147 2HD2 LEU 22 HD2 LEU 22 48.011 7.123 -5.014 148 3HD2 LEU 22 HD2 LEU 22 48.542 8.733 -5.498 149 H THR 23 HN THR 23 51.500 3.189 -4.591 150 HA THR 23 HA THR 23 50.304 1.379 -6.595 151 HB THR 23 HB THR 23 53.247 1.161 -6.440 152 HG1 THR 23 HG1 THR 23 52.296 3.198 -8.082 153 1HG2 THR 23 HG21 THR 23 52.934 0.211 -8.467 154 2HG2 THR 23 HG22 THR 23 51.935 1.550 -9.033 155 3HG2 THR 23 HG23 THR 23 51.215 0.254 -8.077 156 H ASN 24 HN ASN 24 52.419 -0.623 -6.076 157 HA ASN 24 HA ASN 24 51.429 -1.594 -3.470 158 1HB ASN 24 HB2 ASN 24 52.788 -2.626 -5.897 159 2HB ASN 24 HB1 ASN 24 53.204 -3.446 -4.392 160 1HD2 ASN 24 HD2 ASN 24 51.917 -5.295 -4.274 161 2HD2 ASN 24 HD2 ASN 24 50.249 -5.339 -4.589 162 H CYS 25 HN CYS 25 52.552 -1.162 -1.608 163 HA CYS 25 HA CYS 25 55.514 -1.153 -1.641 164 1HB CYS 25 HB2 CYS 25 53.714 1.204 -1.241 165 2HB CYS 25 HB1 CYS 25 55.263 1.150 -0.406 166 H TYR 26 HN TYR 26 53.333 -2.708 -0.356 167 HA TYR 26 HA TYR 26 52.753 -2.175 2.306 168 1HB TYR 26 HB2 TYR 26 52.803 -4.376 0.546 169 2HB TYR 26 HB1 TYR 26 53.703 -4.899 1.971 170 HD1 TYR 26 HD1 TYR 26 50.496 -4.670 0.576 171 HD2 TYR 26 HD2 TYR 26 52.579 -4.117 4.292 172 HE1 TYR 26 HE1 TYR 26 48.370 -4.969 1.812 173 HE2 TYR 26 HE2 TYR 26 50.449 -4.415 5.529 174 HH TYR 26 HH TYR 26 48.298 -5.183 5.322 175 H VAL 27 HN VAL 27 54.111 -1.544 3.961 176 HA VAL 27 HA VAL 27 56.904 -2.646 3.960 177 HB VAL 27 HB VAL 27 55.861 -0.023 5.089 178 1HG1 VAL 27 HG11 VAL 27 58.417 -1.456 5.200 179 2HG1 VAL 27 HG12 VAL 27 57.840 -0.111 6.181 180 3HG1 VAL 27 HG13 VAL 27 58.580 0.197 4.606 181 1HG2 VAL 27 HG21 VAL 27 55.854 0.691 2.945 182 2HG2 VAL 27 HG22 VAL 27 56.573 -0.814 2.377 183 3HG2 VAL 27 HG23 VAL 27 57.605 0.489 2.962 184 H ASP 28 HN ASP 28 57.840 -2.940 6.135 185 HA ASP 28 HA ASP 28 55.866 -3.205 8.356 186 1HB ASP 28 HB2 ASP 28 57.030 -5.296 6.744 187 2HB ASP 28 HB1 ASP 28 57.600 -5.453 8.406 188 H LYS 29 HN LYS 29 56.791 -2.064 10.038 189 HA LYS 29 HA LYS 29 58.491 -1.028 11.343 190 1HB LYS 29 HB2 LYS 29 59.845 -3.698 10.895 191 2HB LYS 29 HB1 LYS 29 59.863 -2.704 12.352 192 1HG LYS 29 HG2 LYS 29 57.368 -3.991 11.207 193 2HG LYS 29 HG1 LYS 29 58.327 -4.684 12.516 194 1HD LYS 29 HD2 LYS 29 57.851 -1.966 13.191 195 2HD LYS 29 HD1 LYS 29 56.308 -2.646 12.669 196 1HE LYS 29 HE2 LYS 29 56.455 -3.120 15.017 197 2HE LYS 29 HE1 LYS 29 56.871 -4.646 14.209 198 1HZ LYS 29 HZ1 LYS 29 59.219 -3.965 14.297 199 2HZ LYS 29 HZ2 LYS 29 58.544 -4.137 15.848 200 3HZ LYS 29 HZ3 LYS 29 58.781 -2.589 15.188 201 H SER 30 HN SER 30 58.936 0.216 9.144 202 HA SER 30 HA SER 30 61.806 -0.264 8.415 203 1HB SER 30 HB2 SER 30 59.670 0.694 6.508 204 2HB SER 30 HB1 SER 30 61.247 0.006 6.123 205 HG SER 30 HG SER 30 60.453 -1.935 6.363 206 H GLU 31 HN GLU 31 62.332 1.810 6.866 207 HA GLU 31 HA GLU 31 61.298 4.307 8.123 208 1HB GLU 31 HB2 GLU 31 63.331 3.431 9.349 209 2HB GLU 31 HB1 GLU 31 64.239 3.597 7.846 210 1HG GLU 31 HG2 GLU 31 63.260 6.055 7.898 211 2HG GLU 31 HG1 GLU 31 63.115 5.731 9.625 212 H VAL 32 HN VAL 32 60.398 4.989 6.115 213 HA VAL 32 HA VAL 32 62.192 4.937 3.735 214 HB VAL 32 HB VAL 32 59.238 5.558 4.060 215 1HG1 VAL 32 HG11 VAL 32 59.108 5.263 1.666 216 2HG1 VAL 32 HG12 VAL 32 60.795 4.751 1.588 217 3HG1 VAL 32 HG13 VAL 32 60.398 6.423 1.984 218 1HG2 VAL 32 HG21 VAL 32 60.284 3.180 4.654 219 2HG2 VAL 32 HG22 VAL 32 60.298 3.007 2.898 220 3HG2 VAL 32 HG23 VAL 32 58.779 3.306 3.743 221 H TYR 33 HN TYR 33 62.624 6.875 2.556 222 HA TYR 33 HA TYR 33 61.752 9.451 3.783 223 1HB TYR 33 HB2 TYR 33 64.124 8.322 4.443 224 2HB TYR 33 HB1 TYR 33 64.610 9.193 2.987 225 HD1 TYR 33 HD1 TYR 33 65.487 9.806 5.882 226 HD2 TYR 33 HD2 TYR 33 62.326 11.349 3.416 227 HE1 TYR 33 HE1 TYR 33 65.523 11.929 7.163 228 HE2 TYR 33 HE2 TYR 33 62.361 13.471 4.699 229 HH TYR 33 HH TYR 33 63.149 14.073 7.233 230 H GLY 34 HN GLY 34 60.841 10.529 2.078 231 1HA GLY 34 HA2 GLY 34 60.420 11.171 -0.154 232 2HA GLY 34 HA1 GLY 34 62.151 11.505 -0.148 233 H THR 35 HN THR 35 60.269 8.455 -0.091 234 HA THR 35 HA THR 35 62.010 7.482 -2.323 235 HB THR 35 HB THR 35 60.469 6.216 -0.060 236 HG1 THR 35 HG1 THR 35 63.017 5.464 -0.867 237 1HG2 THR 35 HG21 THR 35 61.670 4.734 -2.414 238 2HG2 THR 35 HG22 THR 35 59.941 4.978 -2.167 239 3HG2 THR 35 HG23 THR 35 60.869 4.016 -1.016 240 H THR 36 HN THR 36 60.949 6.292 -4.070 241 HA THR 36 HA THR 36 58.266 7.366 -4.715 242 HB THR 36 HB THR 36 58.833 6.667 -6.943 243 HG1 THR 36 HG1 THR 36 59.989 4.956 -7.269 244 1HG2 THR 36 HG21 THR 36 60.996 7.718 -7.278 245 2HG2 THR 36 HG22 THR 36 61.424 7.456 -5.587 246 3HG2 THR 36 HG23 THR 36 60.138 8.588 -6.006 247 H CYS 37 HN CYS 37 57.047 5.463 -6.163 248 HA CYS 37 HA CYS 37 57.126 2.848 -4.796 249 1HB CYS 37 HB2 CYS 37 55.304 5.044 -4.124 250 2HB CYS 37 HB1 CYS 37 54.452 3.549 -4.521 251 H THR 38 HN THR 38 56.748 1.377 -6.400 252 HA THR 38 HA THR 38 54.546 1.715 -8.304 253 HB THR 38 HB THR 38 57.264 1.480 -9.549 254 HG1 THR 38 HG1 THR 38 57.799 3.350 -8.802 255 1HG2 THR 38 HG21 THR 38 56.057 1.802 -11.418 256 2HG2 THR 38 HG22 THR 38 55.376 3.294 -10.771 257 3HG2 THR 38 HG23 THR 38 54.600 1.750 -10.425 258 H GLY 39 HN GLY 39 54.769 -0.334 -6.558 259 1HA GLY 39 HA2 GLY 39 54.436 -2.708 -6.896 260 2HA GLY 39 HA1 GLY 39 55.489 -2.624 -8.310 261 H SER 40 HN SER 40 55.387 -3.007 -4.856 262 HA SER 40 HA SER 40 58.003 -4.225 -4.753 263 1HB SER 40 HB2 SER 40 59.296 -2.437 -3.916 264 2HB SER 40 HB1 SER 40 58.319 -1.666 -5.162 265 HG SER 40 HG SER 40 58.399 -0.636 -3.006 266 H ARG 41 HN ARG 41 58.698 -4.422 -2.345 267 HA ARG 41 HA ARG 41 56.436 -4.160 -0.429 268 1HB ARG 41 HB2 ARG 41 56.002 -6.329 -1.241 269 2HB ARG 41 HB1 ARG 41 57.715 -6.690 -1.457 270 1HG ARG 41 HG2 ARG 41 56.705 -7.868 0.511 271 2HG ARG 41 HG1 ARG 41 58.048 -6.812 0.947 272 1HD ARG 41 HD2 ARG 41 56.690 -5.324 2.075 273 2HD ARG 41 HD1 ARG 41 55.316 -5.600 0.983 274 HE ARG 41 HE ARG 41 55.870 -8.031 2.369 275 1HH1 ARG 41 HH2 ARG 41 55.502 -4.939 3.651 276 2HH1 ARG 41 HH2 ARG 41 54.139 -5.329 4.646 277 1HH2 ARG 41 HH1 ARG 41 53.757 -8.514 3.328 278 2HH2 ARG 41 HH1 ARG 41 53.150 -7.354 4.464 279 H PHE 42 HN PHE 42 57.246 -3.542 1.547 280 HA PHE 42 HA PHE 42 60.205 -3.754 1.968 281 1HB PHE 42 HB2 PHE 42 58.023 -1.852 2.757 282 2HB PHE 42 HB1 PHE 42 59.481 -1.928 3.735 283 HD1 PHE 42 HD1 PHE 42 59.015 -2.264 0.026 284 HD2 PHE 42 HD2 PHE 42 60.699 0.004 3.260 285 HE1 PHE 42 HE1 PHE 42 60.186 -0.816 -1.609 286 HE2 PHE 42 HE2 PHE 42 61.870 1.454 1.622 287 HZ PHE 42 HZ PHE 42 61.618 1.045 -0.808 288 H ASP 43 HN ASP 43 60.783 -3.959 4.364 289 HA ASP 43 HA ASP 43 58.982 -4.981 6.333 290 1HB ASP 43 HB2 ASP 43 59.151 -6.732 4.309 291 2HB ASP 43 HB1 ASP 43 60.602 -7.221 5.183 292 H GLY 44 HN GLY 44 60.182 -4.315 8.103 293 1HA GLY 44 HA2 GLY 44 62.091 -3.824 9.408 294 2HA GLY 44 HA1 GLY 44 62.616 -5.442 8.918 295 H VAL 45 HN VAL 45 62.336 -2.171 7.487 296 HA VAL 45 HA VAL 45 65.107 -2.485 6.419 297 HB VAL 45 HB VAL 45 62.491 -2.228 4.968 298 1HG1 VAL 45 HG11 VAL 45 63.268 -0.548 3.679 299 2HG1 VAL 45 HG12 VAL 45 64.416 -1.719 3.026 300 3HG1 VAL 45 HG13 VAL 45 64.892 -0.672 4.363 301 1HG2 VAL 45 HG21 VAL 45 63.572 -3.867 3.481 302 2HG2 VAL 45 HG22 VAL 45 63.648 -4.407 5.159 303 3HG2 VAL 45 HG23 VAL 45 65.075 -3.711 4.391 304 H THR 46 HN THR 46 66.219 -0.547 6.426 305 HA THR 46 HA THR 46 64.656 1.937 7.050 306 HB THR 46 HB THR 46 67.487 1.110 7.778 307 HG1 THR 46 HG1 THR 46 66.449 0.234 9.366 308 1HG2 THR 46 HG21 THR 46 67.902 3.269 8.245 309 2HG2 THR 46 HG22 THR 46 66.421 3.387 9.198 310 3HG2 THR 46 HG23 THR 46 66.376 3.679 7.457 311 H ILE 47 HN ILE 47 64.427 2.600 4.866 312 HA ILE 47 HA ILE 47 66.964 3.035 3.329 313 HB ILE 47 HB ILE 47 65.465 2.877 1.376 314 1HG1 ILE 47 HG12 ILE 47 63.091 2.059 2.851 315 2HG1 ILE 47 HG11 ILE 47 63.554 3.712 3.246 316 1HG2 ILE 47 HG21 ILE 47 65.751 0.796 3.402 317 2HG2 ILE 47 HG22 ILE 47 65.878 0.670 1.647 318 3HG2 ILE 47 HG23 ILE 47 64.300 0.567 2.426 319 1HD1 ILE 47 HD1 ILE 47 63.341 4.442 1.026 320 2HD1 ILE 47 HD1 ILE 47 62.000 3.308 1.184 321 3HD1 ILE 47 HD1 ILE 47 63.484 2.810 0.374 322 H THR 48 HN THR 48 66.726 5.022 1.792 323 HA THR 48 HA THR 48 65.182 7.205 3.146 324 HB THR 48 HB THR 48 67.749 6.972 3.578 325 HG1 THR 48 HG1 THR 48 66.339 8.835 3.940 326 1HG2 THR 48 HG21 THR 48 67.810 6.978 0.813 327 2HG2 THR 48 HG22 THR 48 69.188 7.301 1.865 328 3HG2 THR 48 HG23 THR 48 68.238 8.640 1.220 329 H THR 49 HN THR 49 66.420 9.098 1.183 330 HA THR 49 HA THR 49 64.429 9.169 -0.812 331 HB THR 49 HB THR 49 67.280 10.131 -1.132 332 HG1 THR 49 HG1 THR 49 65.238 11.493 0.258 333 1HG2 THR 49 HG21 THR 49 65.955 12.128 -2.068 334 2HG2 THR 49 HG22 THR 49 64.562 11.047 -2.067 335 3HG2 THR 49 HG23 THR 49 65.980 10.657 -3.040 336 H SER 50 HN SER 50 64.289 6.905 -1.588 337 HA SER 50 HA SER 50 66.282 6.378 -3.749 338 1HB SER 50 HB2 SER 50 66.682 4.198 -2.956 339 2HB SER 50 HB1 SER 50 66.600 5.139 -1.468 340 HG SER 50 HG SER 50 65.061 3.106 -2.257 341 H THR 51 HN THR 51 65.422 4.961 -5.440 342 HA THR 51 HA THR 51 62.425 4.916 -5.507 343 HB THR 51 HB THR 51 63.323 6.490 -7.094 344 HG1 THR 51 HG1 THR 51 62.859 4.038 -8.442 345 1HG2 THR 51 HG21 THR 51 65.221 4.242 -7.779 346 2HG2 THR 51 HG22 THR 51 65.625 5.828 -7.126 347 3HG2 THR 51 HG23 THR 51 65.030 5.681 -8.781 348 H SER 52 HN SER 52 63.821 2.760 -4.341 349 HA SER 52 HA SER 52 64.062 0.667 -6.437 350 1HB SER 52 HB2 SER 52 65.657 1.142 -4.438 351 2HB SER 52 HB1 SER 52 64.419 0.363 -3.454 352 HG SER 52 HG SER 52 65.452 -1.376 -4.074 353 H THR 53 HN THR 53 61.976 0.005 -7.011 354 HA THR 53 HA THR 53 60.295 -1.097 -4.793 355 HB THR 53 HB THR 53 58.358 -0.116 -6.256 356 HG1 THR 53 HG1 THR 53 60.540 1.529 -7.009 357 1HG2 THR 53 HG21 THR 53 59.943 0.916 -4.110 358 2HG2 THR 53 HG22 THR 53 58.239 1.214 -4.453 359 3HG2 THR 53 HG23 THR 53 59.475 2.260 -5.153 360 H GLY 54 HN GLY 54 60.220 -3.266 -5.294 361 1HA GLY 54 HA2 GLY 54 58.898 -4.263 -7.586 362 2HA GLY 54 HA1 GLY 54 60.630 -4.345 -7.911 363 H SER 55 HN SER 55 61.782 -5.127 -5.635 364 HA SER 55 HA SER 55 60.553 -7.800 -5.136 365 1HB SER 55 HB2 SER 55 62.689 -8.364 -5.610 366 2HB SER 55 HB1 SER 55 63.204 -6.682 -5.531 367 HG SER 55 HG SER 55 64.121 -7.252 -3.734 368 H ARG 56 HN ARG 56 61.527 -8.572 -2.793 369 HA ARG 56 HA ARG 56 60.357 -6.645 -0.831 370 1HB ARG 56 HB2 ARG 56 59.437 -8.969 -1.146 371 2HB ARG 56 HB1 ARG 56 60.988 -9.606 -0.597 372 1HG ARG 56 HG2 ARG 56 60.313 -7.721 1.345 373 2HG ARG 56 HG1 ARG 56 58.783 -8.515 0.969 374 1HD ARG 56 HD2 ARG 56 59.948 -9.743 2.762 375 2HD ARG 56 HD1 ARG 56 59.905 -10.735 1.290 376 HE ARG 56 HE ARG 56 62.250 -9.056 1.307 377 1HH1 ARG 56 HH1 ARG 56 62.162 -10.388 4.059 378 2HH1 ARG 56 HH1 ARG 56 63.094 -11.817 3.763 379 1HH2 ARG 56 HH2 ARG 56 62.893 -11.554 0.311 380 2HH2 ARG 56 HH2 ARG 56 63.509 -12.477 1.641 381 H ILE 57 HN ILE 57 61.772 -5.600 0.527 382 HA ILE 57 HA ILE 57 64.580 -6.592 0.685 383 HB ILE 57 HB ILE 57 63.208 -3.980 1.377 384 1HG1 ILE 57 HG12 ILE 57 64.516 -5.110 -0.998 385 2HG1 ILE 57 HG11 ILE 57 63.467 -3.702 -0.867 386 1HG2 ILE 57 HG21 ILE 57 65.255 -4.740 2.814 387 2HG2 ILE 57 HG22 ILE 57 65.271 -3.123 2.119 388 3HG2 ILE 57 HG23 ILE 57 66.185 -4.420 1.353 389 1HD1 ILE 57 HD1 ILE 57 65.337 -2.318 -0.135 390 2HD1 ILE 57 HD1 ILE 57 65.784 -3.133 -1.637 391 3HD1 ILE 57 HD1 ILE 57 66.401 -3.728 -0.093 392 H SER 58 HN SER 58 65.604 -6.808 2.771 393 HA SER 58 HA SER 58 63.821 -6.724 5.156 394 1HB SER 58 HB2 SER 58 64.823 -9.098 3.728 395 2HB SER 58 HB1 SER 58 65.111 -9.136 5.465 396 HG SER 58 HG SER 58 62.814 -8.494 5.618 397 H GLY 59 HN GLY 59 65.084 -6.888 7.199 398 1HA GLY 59 HA2 GLY 59 67.740 -7.217 7.659 399 2HA GLY 59 HA1 GLY 59 67.731 -5.627 6.895 400 HA PRO 60 HA PRO 60 65.919 -5.519 11.353 401 1HB PRO 60 HB2 PRO 60 67.920 -6.318 13.047 402 2HB PRO 60 HB1 PRO 60 66.659 -7.421 12.460 403 1HG PRO 60 HG2 PRO 60 69.464 -7.089 11.522 404 2HG PRO 60 HG1 PRO 60 68.508 -8.566 11.717 405 1HD PRO 60 HD2 PRO 60 68.941 -7.379 9.306 406 2HD PRO 60 HD1 PRO 60 67.488 -8.335 9.677 407 H GLY 61 HN GLY 61 68.689 -4.674 9.641 408 1HA GLY 61 HA2 GLY 61 68.791 -2.024 10.833 409 2HA GLY 61 HA1 GLY 61 70.242 -2.982 11.149 410 H CYS 62 HN CYS 62 68.287 -3.244 8.209 411 HA CYS 62 HA CYS 62 70.614 -2.943 6.507 412 1HB CYS 62 HB2 CYS 62 68.901 -4.314 5.677 413 2HB CYS 62 HB1 CYS 62 67.631 -3.231 6.230 414 H LYS 63 HN LYS 63 70.981 -1.199 4.983 415 HA LYS 63 HA LYS 63 69.472 1.333 5.414 416 1HB LYS 63 HB2 LYS 63 71.784 0.781 6.771 417 2HB LYS 63 HB1 LYS 63 72.417 1.585 5.334 418 1HG LYS 63 HG2 LYS 63 71.469 3.599 5.875 419 2HG LYS 63 HG1 LYS 63 70.048 2.849 6.606 420 1HD LYS 63 HD2 LYS 63 71.107 2.521 8.658 421 2HD LYS 63 HD1 LYS 63 72.719 2.547 7.941 422 1HE LYS 63 HE2 LYS 63 71.622 5.074 7.350 423 2HE LYS 63 HE1 LYS 63 71.200 4.756 9.046 424 1HZ LYS 63 HZ1 LYS 63 73.875 4.716 7.778 425 2HZ LYS 63 HZ2 LYS 63 73.576 3.900 9.239 426 3HZ LYS 63 HZ3 LYS 63 73.371 5.584 9.145 427 H ILE 64 HN ILE 64 68.850 1.805 3.312 428 HA ILE 64 HA ILE 64 70.706 1.146 1.077 429 HB ILE 64 HB ILE 64 68.060 0.734 1.375 430 1HG1 ILE 64 HG12 ILE 64 68.730 1.613 -1.372 431 2HG1 ILE 64 HG11 ILE 64 69.863 0.467 -0.653 432 1HG2 ILE 64 HG21 ILE 64 68.234 3.423 -0.020 433 2HG2 ILE 64 HG22 ILE 64 67.533 3.146 1.574 434 3HG2 ILE 64 HG23 ILE 64 66.781 2.438 0.145 435 1HD1 ILE 64 HD1 ILE 64 67.026 0.084 -1.438 436 2HD1 ILE 64 HD1 ILE 64 67.519 -0.685 0.071 437 3HD1 ILE 64 HD1 ILE 64 68.359 -1.072 -1.432 438 H SER 65 HN SER 65 70.738 2.963 -0.704 439 HA SER 65 HA SER 65 70.592 5.689 0.470 440 1HB SER 65 HB2 SER 65 72.796 5.050 1.081 441 2HB SER 65 HB1 SER 65 73.067 4.224 -0.449 442 HG SER 65 HG SER 65 73.310 6.137 -1.449 443 H THR 66 HN THR 66 68.823 5.337 -1.336 444 HA THR 66 HA THR 66 68.068 6.071 -3.446 445 HB THR 66 HB THR 66 70.877 7.129 -3.787 446 HG1 THR 66 HG1 THR 66 70.470 8.020 -1.914 447 1HG2 THR 66 HG21 THR 66 69.985 8.361 -5.452 448 2HG2 THR 66 HG22 THR 66 68.602 8.826 -4.461 449 3HG2 THR 66 HG23 THR 66 68.579 7.300 -5.344 450 H CYS 67 HN CYS 67 67.828 4.061 -4.484 451 HA CYS 67 HA CYS 67 70.207 2.998 -5.963 452 1HB CYS 67 HB2 CYS 67 67.557 1.770 -5.123 453 2HB CYS 67 HB1 CYS 67 68.805 0.915 -6.025 454 H ILE 68 HN ILE 68 68.216 1.470 -7.686 455 HA ILE 68 HA ILE 68 67.276 3.773 -9.363 456 HB ILE 68 HB ILE 68 68.667 1.198 -10.163 457 1HG1 ILE 68 HG12 ILE 68 69.507 4.086 -10.550 458 2HG1 ILE 68 HG11 ILE 68 70.051 3.092 -9.199 459 1HG2 ILE 68 HG21 ILE 68 68.490 2.997 -12.334 460 2HG2 ILE 68 HG22 ILE 68 66.874 2.926 -11.633 461 3HG2 ILE 68 HG23 ILE 68 67.669 1.445 -12.169 462 1HD1 ILE 68 HD1 ILE 68 70.469 1.502 -11.468 463 2HD1 ILE 68 HD1 ILE 68 71.704 2.344 -10.534 464 3HD1 ILE 68 HD1 ILE 68 70.988 3.117 -11.948 465 H ILE 69 HN ILE 69 67.007 0.190 -9.382 466 HA ILE 69 HA ILE 69 64.057 0.423 -9.142 467 HB ILE 69 HB ILE 69 64.629 0.703 -11.540 468 1HG1 ILE 69 HG12 ILE 69 63.254 -1.203 -12.401 469 2HG1 ILE 69 HG11 ILE 69 63.371 -1.963 -10.813 470 1HG2 ILE 69 HG21 ILE 69 65.642 -2.126 -11.574 471 2HG2 ILE 69 HG22 ILE 69 66.748 -0.814 -11.166 472 3HG2 ILE 69 HG23 ILE 69 65.932 -0.826 -12.730 473 1HD1 ILE 69 HD1 ILE 69 61.734 -0.654 -9.990 474 2HD1 ILE 69 HD1 ILE 69 61.452 -0.084 -11.634 475 3HD1 ILE 69 HD1 ILE 69 62.539 0.805 -10.568 476 H THR 70 HN THR 70 63.063 -1.696 -8.718 477 HA THR 70 HA THR 70 65.039 -3.783 -7.851 478 HB THR 70 HB THR 70 62.439 -3.562 -6.447 479 HG1 THR 70 HG1 THR 70 64.406 -1.532 -6.423 480 1HG2 THR 70 HG21 THR 70 64.781 -3.379 -4.798 481 2HG2 THR 70 HG22 THR 70 65.042 -4.616 -6.027 482 3HG2 THR 70 HG23 THR 70 63.648 -4.722 -4.952 483 H GLY 71 HN GLY 71 62.914 -5.582 -7.039 484 1HA GLY 71 HA2 GLY 71 61.010 -6.754 -8.057 485 2HA GLY 71 HA1 GLY 71 61.536 -6.141 -9.628 486 H GLY 72 HN GLY 72 63.598 -7.563 -7.128 487 1HA GLY 72 HA2 GLY 72 64.787 -9.603 -7.117 488 2HA GLY 72 HA1 GLY 72 63.821 -10.126 -8.500 489 H VAL 73 HN VAL 73 65.591 -7.093 -8.378 490 HA VAL 73 HA VAL 73 67.483 -8.181 -10.442 491 HB VAL 73 HB VAL 73 67.215 -5.807 -11.403 492 1HG1 VAL 73 HG11 VAL 73 65.658 -6.662 -12.838 493 2HG1 VAL 73 HG12 VAL 73 64.546 -7.082 -11.535 494 3HG1 VAL 73 HG13 VAL 73 65.905 -8.142 -11.912 495 1HG2 VAL 73 HG21 VAL 73 64.697 -5.867 -9.717 496 2HG2 VAL 73 HG22 VAL 73 65.286 -4.545 -10.725 497 3HG2 VAL 73 HG23 VAL 73 66.142 -4.972 -9.244 498 HA PRO 74 HA PRO 74 70.016 -6.148 -7.226 499 1HB PRO 74 HB2 PRO 74 71.985 -8.041 -7.195 500 2HB PRO 74 HB1 PRO 74 70.493 -8.194 -6.248 501 1HG PRO 74 HG2 PRO 74 71.293 -9.561 -8.739 502 2HG PRO 74 HG1 PRO 74 70.238 -10.114 -7.432 503 1HD PRO 74 HD2 PRO 74 69.411 -9.126 -9.918 504 2HD PRO 74 HD1 PRO 74 68.387 -9.356 -8.486 505 H ALA 75 HN ALA 75 70.829 -7.576 -10.344 506 HA ALA 75 HA ALA 75 73.397 -6.615 -10.863 507 1HB ALA 75 HB1 ALA 75 72.128 -6.273 -13.250 508 2HB ALA 75 HB2 ALA 75 70.936 -7.248 -12.390 509 3HB ALA 75 HB3 ALA 75 72.580 -7.852 -12.608 510 HA PRO 76 HA PRO 76 71.603 -2.427 -12.341 511 1HB PRO 76 HB2 PRO 76 68.983 -1.883 -11.760 512 2HB PRO 76 HB1 PRO 76 69.497 -2.683 -13.259 513 1HG PRO 76 HG2 PRO 76 68.369 -3.873 -10.773 514 2HG PRO 76 HG1 PRO 76 68.054 -4.286 -12.466 515 1HD PRO 76 HD2 PRO 76 69.698 -5.739 -10.867 516 2HD PRO 76 HD1 PRO 76 69.918 -5.616 -12.626 517 H SER 77 HN SER 77 71.461 -0.419 -11.114 518 HA SER 77 HA SER 77 71.518 0.899 -9.148 519 1HB SER 77 HB2 SER 77 70.399 -1.339 -7.528 520 2HB SER 77 HB1 SER 77 69.914 0.353 -7.586 521 HG SER 77 HG SER 77 68.664 -1.574 -8.697 522 H ALA 78 HN ALA 78 73.271 -1.811 -9.743 523 HA ALA 78 HA ALA 78 74.486 -2.624 -7.339 524 1HB ALA 78 HB1 ALA 78 76.537 -2.465 -9.220 525 2HB ALA 78 HB2 ALA 78 75.078 -2.540 -10.209 526 3HB ALA 78 HB3 ALA 78 75.417 -3.814 -9.039 527 H ALA 79 HN ALA 79 74.641 0.419 -8.992 528 HA ALA 79 HA ALA 79 77.089 1.371 -7.698 529 1HB ALA 79 HB1 ALA 79 76.010 3.568 -8.696 530 2HB ALA 79 HB2 ALA 79 74.906 2.433 -9.474 531 3HB ALA 79 HB3 ALA 79 76.640 2.334 -9.788 532 H CYS 80 HN CYS 80 73.863 0.934 -6.722 533 HA CYS 80 HA CYS 80 73.520 3.262 -5.034 534 1HB CYS 80 HB2 CYS 80 71.765 1.678 -5.982 535 2HB CYS 80 HB1 CYS 80 72.283 0.507 -4.768 536 H LYS 81 HN LYS 81 73.307 2.939 -2.564 537 HA LYS 81 HA LYS 81 75.619 1.287 -1.609 538 1HB LYS 81 HB2 LYS 81 74.737 4.044 -1.250 539 2HB LYS 81 HB1 LYS 81 75.008 3.239 0.296 540 1HG LYS 81 HG2 LYS 81 77.077 4.315 -0.562 541 2HG LYS 81 HG1 LYS 81 77.253 2.564 -0.418 542 1HD LYS 81 HD2 LYS 81 76.181 3.099 -3.002 543 2HD LYS 81 HD1 LYS 81 77.547 4.190 -2.761 544 1HE LYS 81 HE2 LYS 81 77.678 1.204 -2.218 545 2HE LYS 81 HE1 LYS 81 78.220 1.960 -3.728 546 1HZ LYS 81 HZ1 LYS 81 79.171 2.631 -0.993 547 2HZ LYS 81 HZ2 LYS 81 79.635 3.440 -2.414 548 3HZ LYS 81 HZ3 LYS 81 80.059 1.811 -2.184 549 H ILE 82 HN ILE 82 74.814 -0.543 -0.667 550 HA ILE 82 HA ILE 82 72.500 -0.251 1.224 551 HB ILE 82 HB ILE 82 72.003 -1.375 -0.982 552 1HG1 ILE 82 HG12 ILE 82 70.817 -3.255 0.005 553 2HG1 ILE 82 HG11 ILE 82 71.895 -3.249 1.403 554 1HG2 ILE 82 HG21 ILE 82 74.481 -2.551 -0.563 555 2HG2 ILE 82 HG22 ILE 82 73.303 -3.047 -1.778 556 3HG2 ILE 82 HG23 ILE 82 73.350 -3.858 -0.212 557 1HD1 ILE 82 HD1 ILE 82 70.934 -1.350 2.313 558 2HD1 ILE 82 HD1 ILE 82 69.529 -2.037 1.498 559 3HD1 ILE 82 HD1 ILE 82 70.431 -0.725 0.741 560 H SER 83 HN SER 83 72.618 -1.741 3.075 561 HA SER 83 HA SER 83 75.129 -3.270 3.435 562 1HB SER 83 HB2 SER 83 75.806 -1.051 4.070 563 2HB SER 83 HB1 SER 83 74.331 -0.802 4.998 564 HG SER 83 HG SER 83 76.418 -1.483 6.098 565 H GLY 84 HN GLY 84 74.369 -5.179 4.253 566 1HA GLY 84 HA2 GLY 84 73.311 -6.647 5.760 567 2HA GLY 84 HA1 GLY 84 72.877 -5.239 6.731 568 H CYS 85 HN CYS 85 72.015 -6.075 3.353 569 HA CYS 85 HA CYS 85 69.147 -6.008 4.237 570 1HB CYS 85 HB2 CYS 85 70.485 -4.109 2.752 571 2HB CYS 85 HB1 CYS 85 69.732 -5.104 1.507 572 H THR 86 HN THR 86 67.686 -7.185 2.817 573 HA THR 86 HA THR 86 69.030 -9.405 1.310 574 HB THR 86 HB THR 86 66.270 -9.817 2.226 575 HG1 THR 86 HG1 THR 86 66.917 -9.951 4.437 576 1HG2 THR 86 HG21 THR 86 67.444 -11.742 1.590 577 2HG2 THR 86 HG22 THR 86 67.557 -11.789 3.349 578 3HG2 THR 86 HG23 THR 86 68.924 -11.218 2.394 579 H PHE 87 HN PHE 87 67.902 -10.077 -0.666 580 HA PHE 87 HA PHE 87 65.873 -8.102 -1.652 581 1HB PHE 87 HB2 PHE 87 68.067 -9.274 -3.366 582 2HB PHE 87 HB1 PHE 87 67.100 -7.830 -3.663 583 HD1 PHE 87 HD1 PHE 87 67.238 -6.144 -1.434 584 HD2 PHE 87 HD2 PHE 87 70.281 -8.821 -2.863 585 HE1 PHE 87 HE1 PHE 87 68.979 -4.763 -0.323 586 HE2 PHE 87 HE2 PHE 87 72.015 -7.442 -1.752 587 HZ PHE 87 HZ PHE 87 71.364 -5.414 -0.483 588 H SER 88 HN SER 88 64.309 -8.990 -3.072 589 HA SER 88 HA SER 88 64.480 -11.656 -4.184 590 1HB SER 88 HB2 SER 88 64.285 -12.116 -1.734 591 2HB SER 88 HB1 SER 88 62.758 -11.241 -1.717 592 HG SER 88 HG SER 88 61.977 -13.140 -2.200 593 H ALA 89 HN ALA 89 63.168 -11.492 -5.959 594 HA ALA 89 HA ALA 89 61.531 -9.414 -6.720 595 1HB ALA 89 HB1 ALA 89 62.207 -11.811 -7.731 596 2HB ALA 89 HB2 ALA 89 60.879 -10.860 -8.397 597 3HB ALA 89 HB3 ALA 89 60.543 -12.175 -7.272 598 H ASN 90 HN ASN 90 59.421 -8.740 -6.311 599 HA ASN 90 HA ASN 90 57.787 -10.362 -4.394 600 1HB ASN 90 HB2 ASN 90 58.786 -8.705 -3.036 601 2HB ASN 90 HB1 ASN 90 58.683 -7.481 -4.302 602 1HD2 ASN 90 HD2 ASN 90 57.068 -5.976 -3.890 603 2HD2 ASN 90 HD2 ASN 90 55.613 -6.296 -3.075 Start of MODEL 13 1 1H ASP 1 HT1 ASP 1 47.941 10.795 1.497 2 2H ASP 1 HT2 ASP 1 47.833 9.505 2.598 3 3H ASP 1 HT3 ASP 1 48.420 11.016 3.109 4 HA ASP 1 HA ASP 1 46.344 11.975 3.183 5 1HB ASP 1 HB2 ASP 1 46.024 10.094 0.901 6 2HB ASP 1 HB1 ASP 1 44.548 10.533 1.759 7 H GLY 2 HN GLY 2 47.586 9.476 4.518 8 1HA GLY 2 HA2 GLY 2 45.094 8.689 5.945 9 2HA GLY 2 HA1 GLY 2 46.165 7.422 5.345 10 H SER 3 HN SER 3 47.785 6.771 6.684 11 HA SER 3 HA SER 3 48.037 7.697 9.363 12 1HB SER 3 HB2 SER 3 48.727 5.485 8.575 13 2HB SER 3 HB1 SER 3 49.942 6.209 7.526 14 HG SER 3 HG SER 3 50.839 5.488 9.500 15 H CYS 4 HN CYS 4 50.479 8.063 6.762 16 HA CYS 4 HA CYS 4 51.043 10.826 7.714 17 1HB CYS 4 HB2 CYS 4 52.406 9.002 8.919 18 2HB CYS 4 HB1 CYS 4 53.213 8.748 7.372 19 H THR 5 HN THR 5 52.476 8.352 5.546 20 HA THR 5 HA THR 5 52.022 10.191 3.238 21 HB THR 5 HB THR 5 54.316 10.456 4.330 22 HG1 THR 5 HG1 THR 5 53.762 10.802 2.037 23 1HG2 THR 5 HG21 THR 5 55.642 8.662 4.664 24 2HG2 THR 5 HG22 THR 5 55.377 8.075 3.022 25 3HG2 THR 5 HG23 THR 5 54.232 7.667 4.300 26 H ASN 6 HN ASN 6 50.437 7.990 3.595 27 HA ASN 6 HA ASN 6 51.404 6.174 1.446 28 1HB ASN 6 HB2 ASN 6 51.045 5.584 4.318 29 2HB ASN 6 HB1 ASN 6 50.318 4.404 3.226 30 1HD2 ASN 6 HD2 ASN 6 51.772 2.727 2.859 31 2HD2 ASN 6 HD2 ASN 6 53.445 2.915 2.643 32 H THR 7 HN THR 7 49.759 5.462 0.150 33 HA THR 7 HA THR 7 46.989 6.384 0.776 34 HB THR 7 HB THR 7 46.714 6.404 -1.605 35 HG1 THR 7 HG1 THR 7 48.792 4.575 -1.457 36 1HG2 THR 7 HG21 THR 7 49.427 7.223 -1.978 37 2HG2 THR 7 HG22 THR 7 48.923 7.702 -0.357 38 3HG2 THR 7 HG23 THR 7 48.000 8.236 -1.762 39 H ASN 8 HN ASN 8 46.313 4.345 -1.505 40 HA ASN 8 HA ASN 8 45.023 2.338 -0.127 41 1HB ASN 8 HB2 ASN 8 45.293 2.920 -2.661 42 2HB ASN 8 HB1 ASN 8 46.577 1.711 -2.624 43 1HD2 ASN 8 HD2 ASN 8 43.557 1.822 -3.645 44 2HD2 ASN 8 HD2 ASN 8 42.955 0.324 -3.122 45 H SER 9 HN SER 9 48.488 2.689 -0.266 46 HA SER 9 HA SER 9 48.890 -0.144 0.580 47 1HB SER 9 HB2 SER 9 51.306 0.530 0.161 48 2HB SER 9 HB1 SER 9 50.267 0.630 -1.258 49 HG SER 9 HG SER 9 50.253 2.792 -1.112 50 H GLN 10 HN GLN 10 50.304 -0.450 2.528 51 HA GLN 10 HA GLN 10 49.795 1.707 4.534 52 1HB GLN 10 HB2 GLN 10 48.818 -0.557 4.829 53 2HB GLN 10 HB1 GLN 10 50.444 -1.239 4.838 54 1HG GLN 10 HG2 GLN 10 50.936 0.379 6.773 55 2HG GLN 10 HG1 GLN 10 49.190 0.610 6.868 56 1HE2 GLN 10 HE21 GLN 10 50.726 -0.647 8.985 57 2HE2 GLN 10 HE22 GLN 10 50.219 -2.264 9.095 58 H LEU 11 HN LEU 11 51.448 2.248 6.064 59 HA LEU 11 HA LEU 11 54.239 1.769 5.085 60 1HB LEU 11 HB2 LEU 11 53.325 4.105 5.145 61 2HB LEU 11 HB1 LEU 11 53.091 3.935 6.885 62 HG LEU 11 HG LEU 11 55.481 3.617 7.223 63 1HD1 LEU 11 HD1 LEU 11 56.026 2.384 5.202 64 2HD1 LEU 11 HD1 LEU 11 57.030 3.834 5.263 65 3HD1 LEU 11 HD1 LEU 11 55.624 3.778 4.199 66 1HD2 LEU 11 HD2 LEU 11 54.316 5.978 6.587 67 2HD2 LEU 11 HD2 LEU 11 55.550 5.906 5.328 68 3HD2 LEU 11 HD2 LEU 11 56.019 5.840 7.027 69 H SER 12 HN SER 12 52.928 -0.229 6.645 70 HA SER 12 HA SER 12 53.299 -1.560 8.555 71 1HB SER 12 HB2 SER 12 55.604 -1.395 7.916 72 2HB SER 12 HB1 SER 12 55.718 0.259 8.508 73 HG SER 12 HG SER 12 54.909 -1.755 10.271 74 H ALA 13 HN ALA 13 52.165 1.433 8.714 75 HA ALA 13 HA ALA 13 51.469 2.897 10.454 76 1HB ALA 13 HB1 ALA 13 50.055 1.688 11.902 77 2HB ALA 13 HB2 ALA 13 51.169 0.323 11.994 78 3HB ALA 13 HB3 ALA 13 50.227 0.596 10.527 79 H ASN 14 HN ASN 14 54.426 2.042 10.514 80 HA ASN 14 HA ASN 14 55.059 3.238 13.085 81 1HB ASN 14 HB2 ASN 14 54.299 0.906 13.660 82 2HB ASN 14 HB1 ASN 14 55.654 0.288 12.714 83 1HD2 ASN 14 HD2 ASN 14 57.620 0.074 13.816 84 2HD2 ASN 14 HD2 ASN 14 57.970 0.794 15.312 85 H SER 15 HN SER 15 55.796 3.244 10.098 86 HA SER 15 HA SER 15 58.730 2.721 10.331 87 1HB SER 15 HB2 SER 15 58.577 2.112 8.132 88 2HB SER 15 HB1 SER 15 56.842 2.062 8.428 89 HG SER 15 HG SER 15 56.980 4.423 7.905 90 H LYS 16 HN LYS 16 59.159 4.645 8.038 91 HA LYS 16 HA LYS 16 58.979 7.171 9.648 92 1HB LYS 16 HB2 LYS 16 61.158 5.811 8.570 93 2HB LYS 16 HB1 LYS 16 60.880 7.123 7.425 94 1HG LYS 16 HG2 LYS 16 60.629 8.041 10.176 95 2HG LYS 16 HG1 LYS 16 62.209 7.316 9.882 96 1HD LYS 16 HD2 LYS 16 62.307 8.748 7.759 97 2HD LYS 16 HD1 LYS 16 60.923 9.624 8.416 98 1HE LYS 16 HE2 LYS 16 62.653 10.904 9.306 99 2HE LYS 16 HE1 LYS 16 62.497 9.694 10.594 100 1HZ LYS 16 HZ1 LYS 16 64.719 9.520 10.059 101 2HZ LYS 16 HZ2 LYS 16 64.464 9.826 8.407 102 3HZ LYS 16 HZ3 LYS 16 64.047 8.318 9.068 103 H CYS 17 HN CYS 17 58.119 8.989 8.647 104 HA CYS 17 HA CYS 17 56.329 8.624 6.427 105 1HB CYS 17 HB2 CYS 17 57.452 11.084 7.801 106 2HB CYS 17 HB1 CYS 17 56.069 11.094 6.707 107 H GLU 18 HN GLU 18 57.399 8.056 4.490 108 HA GLU 18 HA GLU 18 59.756 9.557 3.571 109 1HB GLU 18 HB2 GLU 18 59.619 7.989 1.711 110 2HB GLU 18 HB1 GLU 18 59.302 7.113 3.206 111 1HG GLU 18 HG2 GLU 18 56.898 8.268 1.953 112 2HG GLU 18 HG1 GLU 18 57.687 7.014 0.999 113 H LYS 19 HN LYS 19 58.629 9.367 0.730 114 HA LYS 19 HA LYS 19 56.538 11.474 0.759 115 1HB LYS 19 HB2 LYS 19 59.124 12.230 0.832 116 2HB LYS 19 HB1 LYS 19 58.946 12.015 -0.910 117 1HG LYS 19 HG2 LYS 19 57.304 13.672 -1.082 118 2HG LYS 19 HG1 LYS 19 56.868 13.555 0.624 119 1HD LYS 19 HD2 LYS 19 59.579 14.529 -0.300 120 2HD LYS 19 HD1 LYS 19 58.220 15.619 -0.032 121 1HE LYS 19 HE2 LYS 19 58.158 14.183 2.290 122 2HE LYS 19 HE1 LYS 19 59.901 14.201 1.949 123 1HZ LYS 19 HZ1 LYS 19 59.947 16.505 1.847 124 2HZ LYS 19 HZ2 LYS 19 58.895 16.217 3.150 125 3HZ LYS 19 HZ3 LYS 19 58.270 16.639 1.628 126 H SER 20 HN SER 20 55.332 11.488 -1.169 127 HA SER 20 HA SER 20 54.502 10.653 -3.216 128 1HB SER 20 HB2 SER 20 57.316 9.829 -3.863 129 2HB SER 20 HB1 SER 20 56.121 10.607 -4.898 130 HG SER 20 HG SER 20 57.837 11.691 -2.978 131 H THR 21 HN THR 21 53.318 8.803 -2.754 132 HA THR 21 HA THR 21 54.799 6.205 -2.847 133 HB THR 21 HB THR 21 52.845 7.263 -0.803 134 HG1 THR 21 HG1 THR 21 54.468 6.853 0.527 135 1HG2 THR 21 HG21 THR 21 53.073 4.725 -0.004 136 2HG2 THR 21 HG22 THR 21 53.224 4.456 -1.741 137 3HG2 THR 21 HG23 THR 21 51.783 5.239 -1.092 138 H LEU 22 HN LEU 22 53.659 4.573 -3.957 139 HA LEU 22 HA LEU 22 51.392 5.466 -5.603 140 1HB LEU 22 HB2 LEU 22 53.507 3.918 -6.083 141 2HB LEU 22 HB1 LEU 22 52.416 2.653 -5.513 142 HG LEU 22 HG LEU 22 50.782 4.069 -7.203 143 1HD1 LEU 22 HD1 LEU 22 53.158 5.197 -7.781 144 2HD1 LEU 22 HD1 LEU 22 51.914 4.939 -9.005 145 3HD1 LEU 22 HD1 LEU 22 53.249 3.797 -8.851 146 1HD2 LEU 22 HD2 LEU 22 52.212 1.538 -7.170 147 2HD2 LEU 22 HD2 LEU 22 52.012 2.130 -8.820 148 3HD2 LEU 22 HD2 LEU 22 50.600 1.896 -7.790 149 H THR 23 HN THR 23 50.432 2.553 -5.591 150 HA THR 23 HA THR 23 48.899 2.635 -3.013 151 HB THR 23 HB THR 23 47.144 1.560 -4.782 152 HG1 THR 23 HG1 THR 23 47.358 2.783 -6.700 153 1HG2 THR 23 HG21 THR 23 47.226 3.768 -3.249 154 2HG2 THR 23 HG22 THR 23 45.957 3.495 -4.444 155 3HG2 THR 23 HG23 THR 23 47.331 4.529 -4.838 156 H ASN 24 HN ASN 24 51.292 1.009 -3.967 157 HA ASN 24 HA ASN 24 50.125 -1.659 -3.325 158 1HB ASN 24 HB2 ASN 24 50.309 -1.283 -5.822 159 2HB ASN 24 HB1 ASN 24 52.054 -1.138 -5.606 160 1HD2 ASN 24 HD2 ASN 24 50.519 -3.293 -7.056 161 2HD2 ASN 24 HD2 ASN 24 50.975 -4.746 -6.307 162 H CYS 25 HN CYS 25 51.267 -0.930 -1.249 163 HA CYS 25 HA CYS 25 54.025 -2.004 -1.252 164 1HB CYS 25 HB2 CYS 25 53.237 0.856 -0.844 165 2HB CYS 25 HB1 CYS 25 54.580 0.205 0.095 166 H TYR 26 HN TYR 26 53.781 -3.477 0.366 167 HA TYR 26 HA TYR 26 52.329 -2.650 2.853 168 1HB TYR 26 HB2 TYR 26 52.296 -4.979 1.161 169 2HB TYR 26 HB1 TYR 26 52.869 -5.452 2.762 170 HD1 TYR 26 HD1 TYR 26 50.302 -3.093 1.352 171 HD2 TYR 26 HD2 TYR 26 51.210 -6.142 4.238 172 HE1 TYR 26 HE1 TYR 26 47.986 -2.955 2.227 173 HE2 TYR 26 HE2 TYR 26 48.893 -6.004 5.112 174 HH TYR 26 HH TYR 26 46.514 -5.152 3.889 175 H VAL 27 HN VAL 27 54.076 -1.661 3.931 176 HA VAL 27 HA VAL 27 56.627 -3.163 4.178 177 HB VAL 27 HB VAL 27 55.901 -0.431 5.258 178 1HG1 VAL 27 HG11 VAL 27 58.053 -0.494 5.886 179 2HG1 VAL 27 HG12 VAL 27 58.510 -0.552 4.182 180 3HG1 VAL 27 HG13 VAL 27 58.286 -2.049 5.091 181 1HG2 VAL 27 HG21 VAL 27 57.234 -0.091 2.817 182 2HG2 VAL 27 HG22 VAL 27 55.532 0.243 3.133 183 3HG2 VAL 27 HG23 VAL 27 56.018 -1.325 2.488 184 H ASP 28 HN ASP 28 57.626 -3.267 6.369 185 HA ASP 28 HA ASP 28 55.725 -3.228 8.662 186 1HB ASP 28 HB2 ASP 28 57.171 -5.578 7.453 187 2HB ASP 28 HB1 ASP 28 56.812 -5.569 9.180 188 H LYS 29 HN LYS 29 56.775 -2.194 10.324 189 HA LYS 29 HA LYS 29 58.569 -1.164 11.494 190 1HB LYS 29 HB2 LYS 29 58.473 -3.786 11.904 191 2HB LYS 29 HB1 LYS 29 60.024 -3.753 11.065 192 1HG LYS 29 HG2 LYS 29 60.670 -1.865 12.692 193 2HG LYS 29 HG1 LYS 29 59.264 -2.361 13.634 194 1HD LYS 29 HD2 LYS 29 60.236 -4.740 13.517 195 2HD LYS 29 HD1 LYS 29 61.728 -3.975 12.971 196 1HE LYS 29 HE2 LYS 29 62.136 -3.922 15.249 197 2HE LYS 29 HE1 LYS 29 61.196 -2.420 15.127 198 1HZ LYS 29 HZ1 LYS 29 59.169 -3.838 15.401 199 2HZ LYS 29 HZ2 LYS 29 60.153 -3.738 16.782 200 3HZ LYS 29 HZ3 LYS 29 60.191 -5.128 15.807 201 H SER 30 HN SER 30 58.873 0.036 9.244 202 HA SER 30 HA SER 30 61.691 -0.475 8.343 203 1HB SER 30 HB2 SER 30 59.453 0.481 6.560 204 2HB SER 30 HB1 SER 30 60.990 -0.242 6.090 205 HG SER 30 HG SER 30 60.189 -2.169 6.429 206 H GLU 31 HN GLU 31 62.185 1.554 6.770 207 HA GLU 31 HA GLU 31 61.217 4.082 8.005 208 1HB GLU 31 HB2 GLU 31 63.659 2.780 8.607 209 2HB GLU 31 HB1 GLU 31 64.079 4.139 7.564 210 1HG GLU 31 HG2 GLU 31 62.957 5.698 9.031 211 2HG GLU 31 HG1 GLU 31 62.298 4.382 10.003 212 H VAL 32 HN VAL 32 60.300 4.868 6.063 213 HA VAL 32 HA VAL 32 61.991 4.711 3.606 214 HB VAL 32 HB VAL 32 59.048 5.324 4.039 215 1HG1 VAL 32 HG11 VAL 32 58.800 5.401 1.740 216 2HG1 VAL 32 HG12 VAL 32 60.209 4.378 1.448 217 3HG1 VAL 32 HG13 VAL 32 60.426 6.073 1.885 218 1HG2 VAL 32 HG21 VAL 32 58.687 3.016 3.259 219 2HG2 VAL 32 HG22 VAL 32 59.705 3.010 4.702 220 3HG2 VAL 32 HG23 VAL 32 60.428 2.779 3.107 221 H TYR 33 HN TYR 33 62.595 6.609 2.537 222 HA TYR 33 HA TYR 33 61.673 9.217 3.672 223 1HB TYR 33 HB2 TYR 33 63.984 8.080 4.455 224 2HB TYR 33 HB1 TYR 33 64.555 8.855 2.978 225 HD1 TYR 33 HD1 TYR 33 62.566 9.571 6.077 226 HD2 TYR 33 HD2 TYR 33 65.130 11.122 2.998 227 HE1 TYR 33 HE1 TYR 33 62.648 11.758 7.245 228 HE2 TYR 33 HE2 TYR 33 65.212 13.307 4.166 229 HH TYR 33 HH TYR 33 64.902 14.155 6.505 230 H GLY 34 HN GLY 34 60.609 9.900 1.790 231 1HA GLY 34 HA2 GLY 34 60.341 10.562 -0.449 232 2HA GLY 34 HA1 GLY 34 62.045 11.008 -0.355 233 H THR 35 HN THR 35 60.311 7.871 -0.332 234 HA THR 35 HA THR 35 62.214 6.951 -2.461 235 HB THR 35 HB THR 35 60.711 5.500 -0.260 236 HG1 THR 35 HG1 THR 35 62.764 6.801 0.032 237 1HG2 THR 35 HG21 THR 35 62.570 3.746 -1.296 238 2HG2 THR 35 HG22 THR 35 61.953 4.544 -2.742 239 3HG2 THR 35 HG23 THR 35 60.843 3.717 -1.650 240 H THR 36 HN THR 36 61.306 5.602 -4.149 241 HA THR 36 HA THR 36 58.540 6.324 -4.860 242 HB THR 36 HB THR 36 59.181 5.435 -7.005 243 HG1 THR 36 HG1 THR 36 61.395 4.382 -6.968 244 1HG2 THR 36 HG21 THR 36 60.253 7.555 -6.482 245 2HG2 THR 36 HG22 THR 36 61.392 6.545 -7.373 246 3HG2 THR 36 HG23 THR 36 61.553 6.723 -5.625 247 H CYS 37 HN CYS 37 56.804 4.882 -4.879 248 HA CYS 37 HA CYS 37 57.364 2.039 -4.113 249 1HB CYS 37 HB2 CYS 37 56.281 4.047 -2.501 250 2HB CYS 37 HB1 CYS 37 54.875 3.138 -3.057 251 H THR 38 HN THR 38 56.881 2.941 -6.770 252 HA THR 38 HA THR 38 54.053 2.657 -7.441 253 HB THR 38 HB THR 38 54.866 2.965 -9.677 254 HG1 THR 38 HG1 THR 38 56.924 2.479 -10.253 255 1HG2 THR 38 HG21 THR 38 55.622 5.056 -9.300 256 2HG2 THR 38 HG22 THR 38 57.092 4.457 -8.532 257 3HG2 THR 38 HG23 THR 38 55.615 4.646 -7.585 258 H GLY 39 HN GLY 39 56.194 0.440 -6.307 259 1HA GLY 39 HA2 GLY 39 54.718 -1.859 -6.803 260 2HA GLY 39 HA1 GLY 39 55.821 -1.746 -8.175 261 H SER 40 HN SER 40 55.570 -2.435 -4.777 262 HA SER 40 HA SER 40 58.090 -3.841 -4.725 263 1HB SER 40 HB2 SER 40 59.248 -2.168 -3.229 264 2HB SER 40 HB1 SER 40 59.000 -1.598 -4.875 265 HG SER 40 HG SER 40 58.385 -0.100 -3.175 266 H ARG 41 HN ARG 41 58.641 -4.494 -2.432 267 HA ARG 41 HA ARG 41 56.351 -4.234 -0.530 268 1HB ARG 41 HB2 ARG 41 55.940 -6.312 -1.629 269 2HB ARG 41 HB1 ARG 41 57.654 -6.734 -1.631 270 1HG ARG 41 HG2 ARG 41 56.196 -7.903 0.129 271 2HG ARG 41 HG1 ARG 41 57.666 -7.127 0.717 272 1HD ARG 41 HD2 ARG 41 56.502 -5.540 1.904 273 2HD ARG 41 HD1 ARG 41 55.251 -5.391 0.653 274 HE ARG 41 HE ARG 41 54.024 -6.865 2.031 275 1HH1 ARG 41 HH2 ARG 41 56.090 -7.106 4.178 276 2HH1 ARG 41 HH2 ARG 41 56.459 -8.798 4.144 277 1HH2 ARG 41 HH1 ARG 41 55.047 -9.312 1.018 278 2HH2 ARG 41 HH1 ARG 41 55.867 -10.048 2.355 279 H PHE 42 HN PHE 42 57.194 -3.551 1.397 280 HA PHE 42 HA PHE 42 60.100 -4.012 1.917 281 1HB PHE 42 HB2 PHE 42 58.003 -2.043 2.807 282 2HB PHE 42 HB1 PHE 42 59.515 -2.199 3.693 283 HD1 PHE 42 HD1 PHE 42 60.685 -0.220 3.208 284 HD2 PHE 42 HD2 PHE 42 58.922 -2.462 -0.005 285 HE1 PHE 42 HE1 PHE 42 61.783 1.258 1.560 286 HE2 PHE 42 HE2 PHE 42 60.042 -0.994 -1.651 287 HZ PHE 42 HZ PHE 42 61.475 0.871 -0.868 288 H ASP 43 HN ASP 43 60.623 -4.284 4.305 289 HA ASP 43 HA ASP 43 58.765 -5.273 6.238 290 1HB ASP 43 HB2 ASP 43 58.533 -7.051 4.493 291 2HB ASP 43 HB1 ASP 43 60.260 -7.382 4.637 292 H GLY 44 HN GLY 44 60.136 -4.147 7.698 293 1HA GLY 44 HA2 GLY 44 61.982 -3.909 9.144 294 2HA GLY 44 HA1 GLY 44 62.478 -5.536 8.653 295 H VAL 45 HN VAL 45 62.134 -2.366 7.034 296 HA VAL 45 HA VAL 45 64.943 -2.645 6.033 297 HB VAL 45 HB VAL 45 62.336 -2.299 4.550 298 1HG1 VAL 45 HG11 VAL 45 63.273 -0.883 3.084 299 2HG1 VAL 45 HG12 VAL 45 64.496 -2.105 2.719 300 3HG1 VAL 45 HG13 VAL 45 64.792 -0.914 3.984 301 1HG2 VAL 45 HG21 VAL 45 64.711 -4.159 4.403 302 2HG2 VAL 45 HG22 VAL 45 63.547 -4.036 3.083 303 3HG2 VAL 45 HG23 VAL 45 63.018 -4.567 4.679 304 H THR 46 HN THR 46 66.031 -0.742 6.397 305 HA THR 46 HA THR 46 64.411 1.749 6.777 306 HB THR 46 HB THR 46 67.169 0.917 7.737 307 HG1 THR 46 HG1 THR 46 66.136 0.339 9.459 308 1HG2 THR 46 HG21 THR 46 65.875 3.531 7.483 309 2HG2 THR 46 HG22 THR 46 67.564 3.142 7.814 310 3HG2 THR 46 HG23 THR 46 66.393 3.179 9.133 311 H ILE 47 HN ILE 47 64.331 2.412 4.584 312 HA ILE 47 HA ILE 47 66.970 2.887 3.241 313 HB ILE 47 HB ILE 47 65.545 2.826 1.177 314 1HG1 ILE 47 HG12 ILE 47 63.245 1.650 2.552 315 2HG1 ILE 47 HG11 ILE 47 63.504 3.336 3.004 316 1HG2 ILE 47 HG21 ILE 47 66.156 0.671 2.973 317 2HG2 ILE 47 HG22 ILE 47 66.058 0.634 1.213 318 3HG2 ILE 47 HG23 ILE 47 64.617 0.330 2.182 319 1HD1 ILE 47 HD1 ILE 47 62.058 3.239 1.031 320 2HD1 ILE 47 HD1 ILE 47 63.256 2.265 0.177 321 3HD1 ILE 47 HD1 ILE 47 63.615 3.941 0.589 322 H THR 48 HN THR 48 66.734 4.891 1.662 323 HA THR 48 HA THR 48 65.146 7.041 3.017 324 HB THR 48 HB THR 48 67.723 6.768 3.489 325 HG1 THR 48 HG1 THR 48 67.219 8.626 4.274 326 1HG2 THR 48 HG21 THR 48 67.928 6.862 0.794 327 2HG2 THR 48 HG22 THR 48 69.211 7.405 1.875 328 3HG2 THR 48 HG23 THR 48 68.099 8.577 1.168 329 H THR 49 HN THR 49 66.244 9.066 1.227 330 HA THR 49 HA THR 49 64.389 9.075 -0.892 331 HB THR 49 HB THR 49 67.172 10.283 -0.852 332 HG1 THR 49 HG1 THR 49 66.455 11.656 0.579 333 1HG2 THR 49 HG21 THR 49 65.725 12.161 -1.988 334 2HG2 THR 49 HG22 THR 49 64.628 10.827 -2.345 335 3HG2 THR 49 HG23 THR 49 66.285 10.790 -2.944 336 H SER 50 HN SER 50 64.490 6.857 -1.789 337 HA SER 50 HA SER 50 66.664 6.603 -3.824 338 1HB SER 50 HB2 SER 50 65.653 4.399 -2.002 339 2HB SER 50 HB1 SER 50 66.955 4.265 -3.179 340 HG SER 50 HG SER 50 67.481 4.707 -0.853 341 H THR 51 HN THR 51 65.972 5.654 -5.763 342 HA THR 51 HA THR 51 63.044 5.396 -6.121 343 HB THR 51 HB THR 51 65.412 5.262 -8.023 344 HG1 THR 51 HG1 THR 51 64.937 7.373 -8.423 345 1HG2 THR 51 HG21 THR 51 63.810 4.305 -9.342 346 2HG2 THR 51 HG22 THR 51 63.302 5.980 -9.552 347 3HG2 THR 51 HG23 THR 51 62.482 4.952 -8.377 348 H SER 52 HN SER 52 64.295 3.370 -4.502 349 HA SER 52 HA SER 52 64.619 0.984 -6.215 350 1HB SER 52 HB2 SER 52 64.531 0.757 -3.275 351 2HB SER 52 HB1 SER 52 65.754 0.183 -4.405 352 HG SER 52 HG SER 52 66.733 1.828 -3.384 353 H THR 53 HN THR 53 62.927 -0.389 -6.656 354 HA THR 53 HA THR 53 60.968 -1.099 -4.722 355 HB THR 53 HB THR 53 60.034 1.049 -4.837 356 HG1 THR 53 HG1 THR 53 58.114 0.601 -5.608 357 1HG2 THR 53 HG21 THR 53 61.310 2.109 -6.507 358 2HG2 THR 53 HG22 THR 53 59.678 2.121 -7.174 359 3HG2 THR 53 HG23 THR 53 60.851 0.929 -7.734 360 H GLY 54 HN GLY 54 60.105 -2.976 -5.320 361 1HA GLY 54 HA2 GLY 54 58.767 -3.859 -7.455 362 2HA GLY 54 HA1 GLY 54 60.400 -3.894 -8.109 363 H SER 55 HN SER 55 61.810 -4.663 -5.781 364 HA SER 55 HA SER 55 60.913 -7.500 -5.544 365 1HB SER 55 HB2 SER 55 63.116 -7.822 -5.918 366 2HB SER 55 HB1 SER 55 63.388 -6.082 -5.893 367 HG SER 55 HG SER 55 63.776 -6.178 -3.735 368 H ARG 56 HN ARG 56 62.099 -8.265 -3.204 369 HA ARG 56 HA ARG 56 60.680 -6.604 -1.144 370 1HB ARG 56 HB2 ARG 56 59.857 -8.931 -1.700 371 2HB ARG 56 HB1 ARG 56 61.395 -9.552 -1.098 372 1HG ARG 56 HG2 ARG 56 60.951 -8.867 1.109 373 2HG ARG 56 HG1 ARG 56 59.709 -7.722 0.600 374 1HD ARG 56 HD2 ARG 56 58.335 -9.708 -0.190 375 2HD ARG 56 HD1 ARG 56 59.517 -10.750 0.627 376 HE ARG 56 HE ARG 56 58.054 -8.578 2.082 377 1HH1 ARG 56 HH1 ARG 56 57.603 -11.776 1.678 378 2HH1 ARG 56 HH1 ARG 56 57.917 -12.258 3.311 379 1HH2 ARG 56 HH2 ARG 56 59.213 -9.182 4.250 380 2HH2 ARG 56 HH2 ARG 56 58.827 -10.789 4.768 381 H ILE 57 HN ILE 57 62.094 -5.535 0.197 382 HA ILE 57 HA ILE 57 64.866 -6.600 0.493 383 HB ILE 57 HB ILE 57 63.550 -3.944 1.130 384 1HG1 ILE 57 HG12 ILE 57 64.924 -5.109 -1.196 385 2HG1 ILE 57 HG11 ILE 57 63.907 -3.676 -1.103 386 1HG2 ILE 57 HG21 ILE 57 66.485 -4.689 1.334 387 2HG2 ILE 57 HG22 ILE 57 65.396 -4.622 2.720 388 3HG2 ILE 57 HG23 ILE 57 65.740 -3.159 1.797 389 1HD1 ILE 57 HD1 ILE 57 66.807 -3.789 -0.224 390 2HD1 ILE 57 HD1 ILE 57 65.784 -2.350 -0.268 391 3HD1 ILE 57 HD1 ILE 57 66.254 -3.146 -1.773 392 H SER 58 HN SER 58 65.779 -6.814 2.624 393 HA SER 58 HA SER 58 63.895 -6.682 4.925 394 1HB SER 58 HB2 SER 58 64.484 -9.026 3.472 395 2HB SER 58 HB1 SER 58 65.419 -9.149 4.960 396 HG SER 58 HG SER 58 62.736 -8.306 5.032 397 H GLY 59 HN GLY 59 65.072 -6.845 7.019 398 1HA GLY 59 HA2 GLY 59 67.721 -7.209 7.553 399 2HA GLY 59 HA1 GLY 59 67.730 -5.605 6.820 400 HA PRO 60 HA PRO 60 65.902 -5.584 11.267 401 1HB PRO 60 HB2 PRO 60 67.986 -6.242 12.923 402 2HB PRO 60 HB1 PRO 60 66.794 -7.433 12.363 403 1HG PRO 60 HG2 PRO 60 69.550 -6.901 11.363 404 2HG PRO 60 HG1 PRO 60 68.710 -8.443 11.590 405 1HD PRO 60 HD2 PRO 60 68.999 -7.256 9.163 406 2HD PRO 60 HD1 PRO 60 67.618 -8.297 9.577 407 H GLY 61 HN GLY 61 68.621 -4.627 9.522 408 1HA GLY 61 HA2 GLY 61 68.585 -1.939 10.645 409 2HA GLY 61 HA1 GLY 61 70.101 -2.807 10.924 410 H CYS 62 HN CYS 62 67.976 -3.135 8.107 411 HA CYS 62 HA CYS 62 70.175 -2.916 6.249 412 1HB CYS 62 HB2 CYS 62 68.301 -4.258 5.676 413 2HB CYS 62 HB1 CYS 62 67.157 -2.993 6.116 414 H LYS 63 HN LYS 63 71.048 -1.074 5.413 415 HA LYS 63 HA LYS 63 69.422 1.450 5.465 416 1HB LYS 63 HB2 LYS 63 72.428 1.180 5.763 417 2HB LYS 63 HB1 LYS 63 71.446 2.613 6.075 418 1HG LYS 63 HG2 LYS 63 70.403 0.446 7.631 419 2HG LYS 63 HG1 LYS 63 72.144 0.543 7.904 420 1HD LYS 63 HD2 LYS 63 71.299 3.207 7.901 421 2HD LYS 63 HD1 LYS 63 70.039 2.350 8.792 422 1HE LYS 63 HE2 LYS 63 71.586 2.801 10.499 423 2HE LYS 63 HE1 LYS 63 72.117 1.190 9.977 424 1HZ LYS 63 HZ1 LYS 63 73.844 2.045 8.754 425 2HZ LYS 63 HZ2 LYS 63 73.815 3.147 10.047 426 3HZ LYS 63 HZ3 LYS 63 73.113 3.562 8.556 427 H ILE 64 HN ILE 64 68.906 1.799 3.317 428 HA ILE 64 HA ILE 64 70.945 1.107 1.249 429 HB ILE 64 HB ILE 64 68.361 0.393 1.456 430 1HG1 ILE 64 HG12 ILE 64 69.611 1.153 -1.197 431 2HG1 ILE 64 HG11 ILE 64 70.065 -0.281 -0.275 432 1HG2 ILE 64 HG21 ILE 64 67.589 2.772 1.366 433 2HG2 ILE 64 HG22 ILE 64 66.936 1.788 0.057 434 3HG2 ILE 64 HG23 ILE 64 68.271 2.895 -0.256 435 1HD1 ILE 64 HD1 ILE 64 67.244 -0.297 -0.390 436 2HD1 ILE 64 HD1 ILE 64 68.352 -1.376 -1.239 437 3HD1 ILE 64 HD1 ILE 64 67.794 0.104 -2.017 438 H SER 65 HN SER 65 71.188 2.667 -0.565 439 HA SER 65 HA SER 65 70.467 5.489 0.076 440 1HB SER 65 HB2 SER 65 72.632 5.195 1.087 441 2HB SER 65 HB1 SER 65 73.234 4.309 -0.311 442 HG SER 65 HG SER 65 72.242 6.920 -0.621 443 H THR 66 HN THR 66 69.063 5.276 -1.813 444 HA THR 66 HA THR 66 68.574 5.417 -4.120 445 HB THR 66 HB THR 66 70.013 6.891 -5.269 446 HG1 THR 66 HG1 THR 66 71.866 5.722 -5.342 447 1HG2 THR 66 HG21 THR 66 70.146 8.580 -3.761 448 2HG2 THR 66 HG22 THR 66 71.186 7.652 -2.679 449 3HG2 THR 66 HG23 THR 66 69.439 7.418 -2.638 450 H CYS 67 HN CYS 67 68.615 2.931 -3.994 451 HA CYS 67 HA CYS 67 70.573 1.916 -5.994 452 1HB CYS 67 HB2 CYS 67 71.068 1.664 -3.338 453 2HB CYS 67 HB1 CYS 67 70.102 0.213 -3.604 454 H ILE 68 HN ILE 68 69.779 0.087 -7.144 455 HA ILE 68 HA ILE 68 68.129 -1.356 -8.029 456 HB ILE 68 HB ILE 68 66.954 -1.188 -5.243 457 1HG1 ILE 68 HG12 ILE 68 69.368 -1.458 -4.995 458 2HG1 ILE 68 HG11 ILE 68 68.579 -3.000 -4.662 459 1HG2 ILE 68 HG21 ILE 68 65.965 -2.546 -7.273 460 2HG2 ILE 68 HG22 ILE 68 66.070 -3.300 -5.683 461 3HG2 ILE 68 HG23 ILE 68 67.282 -3.662 -6.913 462 1HD1 ILE 68 HD1 ILE 68 70.178 -3.760 -6.128 463 2HD1 ILE 68 HD1 ILE 68 70.301 -2.210 -6.959 464 3HD1 ILE 68 HD1 ILE 68 68.953 -3.293 -7.307 465 H ILE 69 HN ILE 69 65.864 -1.364 -8.709 466 HA ILE 69 HA ILE 69 64.076 0.852 -7.929 467 HB ILE 69 HB ILE 69 64.081 1.815 -10.208 468 1HG1 ILE 69 HG12 ILE 69 66.524 0.501 -11.109 469 2HG1 ILE 69 HG11 ILE 69 65.203 -0.647 -10.893 470 1HG2 ILE 69 HG21 ILE 69 65.737 2.590 -8.434 471 2HG2 ILE 69 HG22 ILE 69 66.192 2.939 -10.100 472 3HG2 ILE 69 HG23 ILE 69 66.942 1.591 -9.246 473 1HD1 ILE 69 HD1 ILE 69 64.762 0.061 -13.054 474 2HD1 ILE 69 HD1 ILE 69 65.410 1.675 -12.769 475 3HD1 ILE 69 HD1 ILE 69 63.817 1.244 -12.149 476 H THR 70 HN THR 70 64.316 -2.266 -8.505 477 HA THR 70 HA THR 70 61.588 -2.512 -9.593 478 HB THR 70 HB THR 70 63.373 -4.300 -11.032 479 HG1 THR 70 HG1 THR 70 63.993 -2.198 -12.293 480 1HG2 THR 70 HG21 THR 70 60.956 -2.906 -11.395 481 2HG2 THR 70 HG22 THR 70 61.735 -3.997 -12.542 482 3HG2 THR 70 HG23 THR 70 62.061 -2.266 -12.614 483 H GLY 71 HN GLY 71 62.062 -5.348 -10.246 484 1HA GLY 71 HA2 GLY 71 61.596 -6.520 -7.666 485 2HA GLY 71 HA1 GLY 71 61.886 -7.416 -9.153 486 H GLY 72 HN GLY 72 63.298 -8.903 -8.086 487 1HA GLY 72 HA2 GLY 72 65.581 -8.055 -6.544 488 2HA GLY 72 HA1 GLY 72 65.368 -9.655 -7.260 489 H VAL 73 HN VAL 73 65.869 -6.311 -8.428 490 HA VAL 73 HA VAL 73 67.850 -7.436 -10.387 491 HB VAL 73 HB VAL 73 67.071 -5.388 -11.731 492 1HG1 VAL 73 HG11 VAL 73 66.327 -7.634 -12.309 493 2HG1 VAL 73 HG12 VAL 73 64.952 -6.535 -12.417 494 3HG1 VAL 73 HG13 VAL 73 65.121 -7.600 -11.021 495 1HG2 VAL 73 HG21 VAL 73 65.977 -4.524 -9.459 496 2HG2 VAL 73 HG22 VAL 73 64.606 -5.474 -10.027 497 3HG2 VAL 73 HG23 VAL 73 65.236 -4.157 -11.017 498 HA PRO 74 HA PRO 74 70.488 -4.672 -8.020 499 1HB PRO 74 HB2 PRO 74 72.820 -5.491 -9.203 500 2HB PRO 74 HB1 PRO 74 72.028 -6.401 -7.899 501 1HG PRO 74 HG2 PRO 74 71.994 -6.884 -10.837 502 2HG PRO 74 HG1 PRO 74 72.072 -8.046 -9.503 503 1HD PRO 74 HD2 PRO 74 69.789 -7.506 -10.893 504 2HD PRO 74 HD1 PRO 74 69.802 -8.051 -9.201 505 H ALA 75 HN ALA 75 69.249 -3.074 -9.513 506 HA ALA 75 HA ALA 75 69.931 -2.281 -12.079 507 1HB ALA 75 HB1 ALA 75 68.469 -1.312 -9.954 508 2HB ALA 75 HB2 ALA 75 68.648 -0.490 -11.504 509 3HB ALA 75 HB3 ALA 75 69.699 -0.064 -10.152 510 HA PRO 76 HA PRO 76 73.959 -0.565 -12.135 511 1HB PRO 76 HB2 PRO 76 73.642 1.927 -13.232 512 2HB PRO 76 HB1 PRO 76 73.491 0.429 -14.171 513 1HG PRO 76 HG2 PRO 76 71.357 2.161 -13.018 514 2HG PRO 76 HG1 PRO 76 71.419 1.342 -14.586 515 1HD PRO 76 HD2 PRO 76 69.992 0.391 -12.485 516 2HD PRO 76 HD1 PRO 76 70.721 -0.667 -13.715 517 H SER 77 HN SER 77 73.356 -0.453 -9.590 518 HA SER 77 HA SER 77 73.991 2.346 -8.720 519 1HB SER 77 HB2 SER 77 72.148 0.358 -7.357 520 2HB SER 77 HB1 SER 77 72.426 2.030 -6.876 521 HG SER 77 HG SER 77 70.584 1.201 -8.470 522 H ALA 78 HN ALA 78 75.733 -0.061 -9.156 523 HA ALA 78 HA ALA 78 76.422 -1.345 -6.710 524 1HB ALA 78 HB1 ALA 78 78.528 -0.533 -8.677 525 2HB ALA 78 HB2 ALA 78 77.199 -1.530 -9.271 526 3HB ALA 78 HB3 ALA 78 78.222 -2.115 -7.959 527 H ALA 79 HN ALA 79 76.756 1.922 -7.707 528 HA ALA 79 HA ALA 79 78.998 2.550 -5.895 529 1HB ALA 79 HB1 ALA 79 78.185 4.915 -6.796 530 2HB ALA 79 HB2 ALA 79 77.292 3.920 -7.948 531 3HB ALA 79 HB3 ALA 79 79.051 3.806 -7.859 532 H CYS 80 HN CYS 80 75.595 2.257 -5.677 533 HA CYS 80 HA CYS 80 74.949 4.381 -3.868 534 1HB CYS 80 HB2 CYS 80 72.934 3.118 -3.541 535 2HB CYS 80 HB1 CYS 80 73.433 2.826 -5.205 536 H LYS 81 HN LYS 81 73.840 2.961 -1.637 537 HA LYS 81 HA LYS 81 76.250 1.781 -0.315 538 1HB LYS 81 HB2 LYS 81 75.142 4.388 0.035 539 2HB LYS 81 HB1 LYS 81 74.821 3.469 1.507 540 1HG LYS 81 HG2 LYS 81 76.950 4.223 1.994 541 2HG LYS 81 HG1 LYS 81 77.358 2.723 1.160 542 1HD LYS 81 HD2 LYS 81 76.969 4.825 -0.774 543 2HD LYS 81 HD1 LYS 81 78.135 5.348 0.442 544 1HE LYS 81 HE2 LYS 81 78.361 2.591 -0.762 545 2HE LYS 81 HE1 LYS 81 79.031 4.000 -1.609 546 1HZ LYS 81 HZ1 LYS 81 80.318 4.578 0.274 547 2HZ LYS 81 HZ2 LYS 81 80.576 2.917 0.026 548 3HZ LYS 81 HZ3 LYS 81 79.535 3.443 1.262 549 H ILE 82 HN ILE 82 75.635 -0.145 0.559 550 HA ILE 82 HA ILE 82 72.887 -0.382 1.726 551 HB ILE 82 HB ILE 82 72.963 -1.378 -0.498 552 1HG1 ILE 82 HG12 ILE 82 71.959 -2.593 1.645 553 2HG1 ILE 82 HG11 ILE 82 71.964 -3.393 0.077 554 1HG2 ILE 82 HG21 ILE 82 74.577 -3.121 -1.071 555 2HG2 ILE 82 HG22 ILE 82 75.294 -3.017 0.536 556 3HG2 ILE 82 HG23 ILE 82 75.431 -1.658 -0.579 557 1HD1 ILE 82 HD1 ILE 82 72.792 -4.959 1.737 558 2HD1 ILE 82 HD1 ILE 82 73.967 -3.786 2.324 559 3HD1 ILE 82 HD1 ILE 82 74.144 -4.481 0.713 560 H SER 83 HN SER 83 72.899 -1.337 3.748 561 HA SER 83 HA SER 83 75.296 -2.916 4.580 562 1HB SER 83 HB2 SER 83 74.267 -0.315 5.626 563 2HB SER 83 HB1 SER 83 74.876 -1.472 6.806 564 HG SER 83 HG SER 83 76.202 -0.265 4.623 565 H GLY 84 HN GLY 84 74.225 -4.863 4.927 566 1HA GLY 84 HA2 GLY 84 72.923 -6.384 6.179 567 2HA GLY 84 HA1 GLY 84 72.401 -5.033 7.188 568 H CYS 85 HN CYS 85 72.066 -5.712 3.687 569 HA CYS 85 HA CYS 85 69.107 -5.341 4.039 570 1HB CYS 85 HB2 CYS 85 71.029 -4.376 1.908 571 2HB CYS 85 HB1 CYS 85 69.278 -4.307 1.721 572 H THR 86 HN THR 86 67.807 -6.804 2.938 573 HA THR 86 HA THR 86 69.195 -9.039 1.519 574 HB THR 86 HB THR 86 66.340 -9.323 2.090 575 HG1 THR 86 HG1 THR 86 68.094 -8.890 4.272 576 1HG2 THR 86 HG21 THR 86 68.771 -10.847 2.105 577 2HG2 THR 86 HG22 THR 86 67.109 -11.430 2.170 578 3HG2 THR 86 HG23 THR 86 67.965 -11.041 3.662 579 H PHE 87 HN PHE 87 68.336 -9.701 -0.574 580 HA PHE 87 HA PHE 87 66.462 -7.735 -1.842 581 1HB PHE 87 HB2 PHE 87 68.800 -8.885 -3.341 582 2HB PHE 87 HB1 PHE 87 67.952 -7.365 -3.609 583 HD1 PHE 87 HD1 PHE 87 70.867 -8.841 -2.284 584 HD2 PHE 87 HD2 PHE 87 68.096 -5.631 -1.579 585 HE1 PHE 87 HE1 PHE 87 72.572 -7.669 -0.919 586 HE2 PHE 87 HE2 PHE 87 69.808 -4.459 -0.217 587 HZ PHE 87 HZ PHE 87 72.042 -5.479 0.114 588 H SER 88 HN SER 88 64.988 -8.676 -3.260 589 HA SER 88 HA SER 88 65.304 -11.181 -4.598 590 1HB SER 88 HB2 SER 88 64.337 -11.181 -1.777 591 2HB SER 88 HB1 SER 88 63.507 -12.253 -2.901 592 HG SER 88 HG SER 88 65.932 -12.672 -3.486 593 H ALA 89 HN ALA 89 63.686 -11.288 -6.130 594 HA ALA 89 HA ALA 89 61.899 -9.296 -6.758 595 1HB ALA 89 HB1 ALA 89 61.647 -10.844 -8.382 596 2HB ALA 89 HB2 ALA 89 60.565 -11.729 -7.308 597 3HB ALA 89 HB3 ALA 89 62.288 -12.104 -7.327 598 H ASN 90 HN ASN 90 59.722 -8.789 -6.232 599 HA ASN 90 HA ASN 90 58.851 -9.685 -3.547 600 1HB ASN 90 HB2 ASN 90 57.492 -7.730 -3.622 601 2HB ASN 90 HB1 ASN 90 58.976 -7.273 -4.460 602 1HD2 ASN 90 HD2 ASN 90 56.624 -5.846 -5.038 603 2HD2 ASN 90 HD2 ASN 90 56.093 -6.237 -6.603 Start of MODEL 14 1 1H ASP 1 HT1 ASP 1 47.506 12.522 1.578 2 2H ASP 1 HT2 ASP 1 46.904 14.097 1.794 3 3H ASP 1 HT3 ASP 1 45.849 12.766 1.846 4 HA ASP 1 HA ASP 1 48.075 12.861 3.766 5 1HB ASP 1 HB2 ASP 1 46.742 14.342 5.190 6 2HB ASP 1 HB1 ASP 1 47.021 15.129 3.637 7 H GLY 2 HN GLY 2 47.703 11.274 5.322 8 1HA GLY 2 HA2 GLY 2 45.197 10.275 6.158 9 2HA GLY 2 HA1 GLY 2 45.733 9.254 4.821 10 H SER 3 HN SER 3 45.613 7.745 6.881 11 HA SER 3 HA SER 3 47.384 7.717 9.003 12 1HB SER 3 HB2 SER 3 46.225 5.668 7.163 13 2HB SER 3 HB1 SER 3 47.480 5.134 8.278 14 HG SER 3 HG SER 3 46.039 6.512 9.806 15 H CYS 4 HN CYS 4 49.537 8.242 8.955 16 HA CYS 4 HA CYS 4 51.813 8.145 8.365 17 1HB CYS 4 HB2 CYS 4 51.133 5.693 8.484 18 2HB CYS 4 HB1 CYS 4 50.927 5.744 6.737 19 H THR 5 HN THR 5 51.926 6.690 5.392 20 HA THR 5 HA THR 5 51.249 9.157 3.859 21 HB THR 5 HB THR 5 53.675 9.061 4.692 22 HG1 THR 5 HG1 THR 5 53.319 10.378 3.005 23 1HG2 THR 5 HG21 THR 5 54.177 7.121 2.471 24 2HG2 THR 5 HG22 THR 5 53.657 6.488 4.034 25 3HG2 THR 5 HG23 THR 5 55.135 7.444 3.917 26 H ASN 6 HN ASN 6 49.857 6.649 3.918 27 HA ASN 6 HA ASN 6 50.370 5.722 1.119 28 1HB ASN 6 HB2 ASN 6 49.965 3.405 1.967 29 2HB ASN 6 HB1 ASN 6 51.385 4.150 2.703 30 1HD2 ASN 6 HD2 ASN 6 51.322 4.604 4.978 31 2HD2 ASN 6 HD2 ASN 6 50.019 4.153 5.969 32 H THR 7 HN THR 7 48.513 6.346 0.071 33 HA THR 7 HA THR 7 45.898 6.175 1.492 34 HB THR 7 HB THR 7 45.163 7.496 -0.521 35 HG1 THR 7 HG1 THR 7 47.320 8.282 -1.582 36 1HG2 THR 7 HG21 THR 7 45.898 8.715 1.436 37 2HG2 THR 7 HG22 THR 7 46.557 9.518 0.011 38 3HG2 THR 7 HG23 THR 7 47.590 8.483 0.999 39 H ASN 8 HN ASN 8 47.124 3.727 0.854 40 HA ASN 8 HA ASN 8 45.139 2.198 -0.384 41 1HB ASN 8 HB2 ASN 8 46.632 3.845 -2.227 42 2HB ASN 8 HB1 ASN 8 46.938 2.146 -2.585 43 1HD2 ASN 8 HD2 ASN 8 43.954 3.698 -1.302 44 2HD2 ASN 8 HD2 ASN 8 42.957 3.171 -2.572 45 H SER 9 HN SER 9 48.519 2.733 0.279 46 HA SER 9 HA SER 9 49.067 -0.206 0.201 47 1HB SER 9 HB2 SER 9 51.320 1.573 0.690 48 2HB SER 9 HB1 SER 9 51.076 0.435 -0.627 49 HG SER 9 HG SER 9 50.947 2.273 -1.696 50 H GLN 10 HN GLN 10 51.222 -0.237 1.971 51 HA GLN 10 HA GLN 10 50.187 0.848 4.549 52 1HB GLN 10 HB2 GLN 10 50.149 -1.910 3.577 53 2HB GLN 10 HB1 GLN 10 50.999 -1.760 5.117 54 1HG GLN 10 HG2 GLN 10 48.985 -0.329 5.872 55 2HG GLN 10 HG1 GLN 10 48.152 -1.002 4.470 56 1HE2 GLN 10 HE21 GLN 10 49.671 -1.863 7.572 57 2HE2 GLN 10 HE22 GLN 10 48.953 -3.398 7.689 58 H LEU 11 HN LEU 11 51.993 2.125 4.997 59 HA LEU 11 HA LEU 11 54.719 1.073 4.537 60 1HB LEU 11 HB2 LEU 11 53.867 3.471 4.150 61 2HB LEU 11 HB1 LEU 11 53.873 3.634 5.909 62 HG LEU 11 HG LEU 11 56.322 2.717 5.719 63 1HD1 LEU 11 HD1 LEU 11 57.099 2.408 3.633 64 2HD1 LEU 11 HD1 LEU 11 56.809 4.112 3.279 65 3HD1 LEU 11 HD1 LEU 11 55.546 2.919 2.969 66 1HD2 LEU 11 HD2 LEU 11 55.131 5.344 5.618 67 2HD2 LEU 11 HD2 LEU 11 56.656 5.347 4.733 68 3HD2 LEU 11 HD2 LEU 11 56.616 4.837 6.421 69 H SER 12 HN SER 12 52.713 0.032 6.664 70 HA SER 12 HA SER 12 52.867 -0.759 8.883 71 1HB SER 12 HB2 SER 12 55.023 -1.540 7.792 72 2HB SER 12 HB1 SER 12 55.803 -0.115 8.467 73 HG SER 12 HG SER 12 54.268 -1.714 10.167 74 H ALA 13 HN ALA 13 51.908 0.734 10.259 75 HA ALA 13 HA ALA 13 52.496 3.423 10.666 76 1HB ALA 13 HB1 ALA 13 50.598 2.675 11.758 77 2HB ALA 13 HB2 ALA 13 51.712 2.709 13.126 78 3HB ALA 13 HB3 ALA 13 51.375 1.187 12.301 79 H ASN 14 HN ASN 14 54.349 0.655 11.716 80 HA ASN 14 HA ASN 14 55.903 2.128 13.724 81 1HB ASN 14 HB2 ASN 14 55.853 -0.609 12.484 82 2HB ASN 14 HB1 ASN 14 57.269 -0.114 13.410 83 1HD2 ASN 14 HD2 ASN 14 55.283 -2.188 14.175 84 2HD2 ASN 14 HD2 ASN 14 54.612 -1.677 15.648 85 H SER 15 HN SER 15 55.855 2.437 10.453 86 HA SER 15 HA SER 15 58.823 2.541 10.180 87 1HB SER 15 HB2 SER 15 58.465 1.844 8.047 88 2HB SER 15 HB1 SER 15 56.860 1.417 8.635 89 HG SER 15 HG SER 15 57.628 3.362 6.911 90 H LYS 16 HN LYS 16 58.994 4.372 8.070 91 HA LYS 16 HA LYS 16 58.271 6.906 9.494 92 1HB LYS 16 HB2 LYS 16 60.653 5.882 8.522 93 2HB LYS 16 HB1 LYS 16 60.171 7.017 7.260 94 1HG LYS 16 HG2 LYS 16 59.934 8.805 8.907 95 2HG LYS 16 HG1 LYS 16 60.302 7.682 10.215 96 1HD LYS 16 HD2 LYS 16 62.531 7.793 9.831 97 2HD LYS 16 HD1 LYS 16 62.320 7.676 8.084 98 1HE LYS 16 HE2 LYS 16 62.266 9.962 7.804 99 2HE LYS 16 HE1 LYS 16 61.465 10.234 9.365 100 1HZ LYS 16 HZ1 LYS 16 64.175 9.099 9.314 101 2HZ LYS 16 HZ2 LYS 16 63.420 10.029 10.519 102 3HZ LYS 16 HZ3 LYS 16 63.985 10.771 9.100 103 H CYS 17 HN CYS 17 56.655 8.094 8.611 104 HA CYS 17 HA CYS 17 55.708 7.529 5.864 105 1HB CYS 17 HB2 CYS 17 54.650 9.554 7.847 106 2HB CYS 17 HB1 CYS 17 53.763 8.707 6.582 107 H GLU 18 HN GLU 18 58.140 8.601 5.489 108 HA GLU 18 HA GLU 18 58.022 11.546 5.379 109 1HB GLU 18 HB2 GLU 18 59.973 9.490 5.524 110 2HB GLU 18 HB1 GLU 18 60.250 10.343 4.004 111 1HG GLU 18 HG2 GLU 18 59.957 11.677 6.713 112 2HG GLU 18 HG1 GLU 18 61.491 11.384 5.890 113 H LYS 19 HN LYS 19 55.995 10.419 3.757 114 HA LYS 19 HA LYS 19 55.158 10.571 1.547 115 1HB LYS 19 HB2 LYS 19 57.358 12.514 1.887 116 2HB LYS 19 HB1 LYS 19 56.991 12.121 0.208 117 1HG LYS 19 HG2 LYS 19 55.248 13.541 0.328 118 2HG LYS 19 HG1 LYS 19 54.493 12.429 1.471 119 1HD LYS 19 HD2 LYS 19 56.045 13.604 3.229 120 2HD LYS 19 HD1 LYS 19 56.119 14.895 2.030 121 1HE LYS 19 HE2 LYS 19 53.824 15.358 2.194 122 2HE LYS 19 HE1 LYS 19 53.450 13.749 2.842 123 1HZ LYS 19 HZ1 LYS 19 55.067 14.464 4.711 124 2HZ LYS 19 HZ2 LYS 19 53.465 15.030 4.744 125 3HZ LYS 19 HZ3 LYS 19 54.714 16.040 4.193 126 H SER 20 HN SER 20 55.335 8.598 0.492 127 HA SER 20 HA SER 20 57.526 8.128 -1.338 128 1HB SER 20 HB2 SER 20 57.748 5.884 0.394 129 2HB SER 20 HB1 SER 20 58.961 7.120 0.078 130 HG SER 20 HG SER 20 57.084 6.909 2.151 131 H THR 21 HN THR 21 55.547 5.933 0.690 132 HA THR 21 HA THR 21 54.856 4.004 -1.147 133 HB THR 21 HB THR 21 53.086 5.385 0.893 134 HG1 THR 21 HG1 THR 21 54.518 2.966 1.137 135 1HG2 THR 21 HG21 THR 21 52.007 3.842 -0.907 136 2HG2 THR 21 HG22 THR 21 51.628 3.546 0.791 137 3HG2 THR 21 HG23 THR 21 52.811 2.535 -0.039 138 H LEU 22 HN LEU 22 53.531 3.844 -2.939 139 HA LEU 22 HA LEU 22 52.145 6.348 -3.829 140 1HB LEU 22 HB2 LEU 22 54.054 4.660 -5.019 141 2HB LEU 22 HB1 LEU 22 52.538 4.275 -5.833 142 HG LEU 22 HG LEU 22 53.524 6.088 -7.056 143 1HD1 LEU 22 HD1 LEU 22 51.555 7.455 -5.221 144 2HD1 LEU 22 HD1 LEU 22 51.043 6.215 -6.366 145 3HD1 LEU 22 HD1 LEU 22 51.791 7.701 -6.951 146 1HD2 LEU 22 HD2 LEU 22 55.111 7.195 -5.837 147 2HD2 LEU 22 HD2 LEU 22 54.217 7.012 -4.327 148 3HD2 LEU 22 HD2 LEU 22 53.773 8.285 -5.464 149 H THR 23 HN THR 23 51.857 2.773 -3.970 150 HA THR 23 HA THR 23 49.015 2.891 -3.273 151 HB THR 23 HB THR 23 49.540 1.680 -5.949 152 HG1 THR 23 HG1 THR 23 49.175 3.854 -6.818 153 1HG2 THR 23 HG21 THR 23 47.299 1.561 -5.639 154 2HG2 THR 23 HG22 THR 23 47.298 3.271 -6.072 155 3HG2 THR 23 HG23 THR 23 47.320 2.790 -4.375 156 H ASN 24 HN ASN 24 51.181 0.733 -5.154 157 HA ASN 24 HA ASN 24 50.280 -1.589 -3.551 158 1HB ASN 24 HB2 ASN 24 51.046 -1.097 -6.193 159 2HB ASN 24 HB1 ASN 24 52.401 -2.004 -5.519 160 1HD2 ASN 24 HD2 ASN 24 51.338 -3.610 -7.239 161 2HD2 ASN 24 HD2 ASN 24 50.183 -4.681 -6.607 162 H CYS 25 HN CYS 25 51.317 -1.134 -1.506 163 HA CYS 25 HA CYS 25 54.178 -1.871 -1.426 164 1HB CYS 25 HB2 CYS 25 53.061 0.861 -0.991 165 2HB CYS 25 HB1 CYS 25 54.335 0.335 0.109 166 H TYR 26 HN TYR 26 54.254 -3.337 0.217 167 HA TYR 26 HA TYR 26 52.496 -2.889 2.611 168 1HB TYR 26 HB2 TYR 26 52.989 -5.148 0.817 169 2HB TYR 26 HB1 TYR 26 53.223 -5.578 2.511 170 HD1 TYR 26 HD1 TYR 26 50.820 -4.999 -0.075 171 HD2 TYR 26 HD2 TYR 26 51.375 -4.869 4.182 172 HE1 TYR 26 HE1 TYR 26 48.363 -5.080 0.248 173 HE2 TYR 26 HE2 TYR 26 48.918 -4.950 4.506 174 HH TYR 26 HH TYR 26 46.914 -4.689 3.436 175 H VAL 27 HN VAL 27 54.241 -1.679 3.662 176 HA VAL 27 HA VAL 27 56.813 -3.092 4.082 177 HB VAL 27 HB VAL 27 55.900 -0.420 5.180 178 1HG1 VAL 27 HG11 VAL 27 58.562 -0.322 4.328 179 2HG1 VAL 27 HG12 VAL 27 58.388 -1.923 5.050 180 3HG1 VAL 27 HG13 VAL 27 57.997 -0.487 5.996 181 1HG2 VAL 27 HG21 VAL 27 55.759 0.415 3.096 182 2HG2 VAL 27 HG22 VAL 27 56.073 -1.187 2.427 183 3HG2 VAL 27 HG23 VAL 27 57.417 -0.100 2.781 184 H ASP 28 HN ASP 28 57.688 -2.995 6.399 185 HA ASP 28 HA ASP 28 55.638 -3.141 8.536 186 1HB ASP 28 HB2 ASP 28 56.983 -5.406 7.219 187 2HB ASP 28 HB1 ASP 28 57.106 -5.437 8.978 188 H LYS 29 HN LYS 29 56.554 -1.802 10.054 189 HA LYS 29 HA LYS 29 58.220 -0.718 11.350 190 1HB LYS 29 HB2 LYS 29 58.028 -3.371 11.877 191 2HB LYS 29 HB1 LYS 29 59.730 -3.279 11.424 192 1HG LYS 29 HG2 LYS 29 59.704 -1.171 13.033 193 2HG LYS 29 HG1 LYS 29 58.313 -2.001 13.731 194 1HD LYS 29 HD2 LYS 29 59.584 -3.867 14.367 195 2HD LYS 29 HD1 LYS 29 60.868 -3.504 13.214 196 1HE LYS 29 HE2 LYS 29 60.230 -1.946 15.746 197 2HE LYS 29 HE1 LYS 29 61.681 -2.920 15.433 198 1HZ LYS 29 HZ1 LYS 29 62.488 -0.974 14.666 199 2HZ LYS 29 HZ2 LYS 29 60.950 -0.307 14.392 200 3HZ LYS 29 HZ3 LYS 29 61.628 -1.380 13.262 201 H SER 30 HN SER 30 58.859 0.260 9.066 202 HA SER 30 HA SER 30 61.747 -0.410 8.582 203 1HB SER 30 HB2 SER 30 59.672 0.431 6.531 204 2HB SER 30 HB1 SER 30 61.314 -0.113 6.207 205 HG SER 30 HG SER 30 60.003 -1.915 7.726 206 H GLU 31 HN GLU 31 62.277 1.609 6.777 207 HA GLU 31 HA GLU 31 61.357 4.161 7.994 208 1HB GLU 31 HB2 GLU 31 63.537 3.087 9.028 209 2HB GLU 31 HB1 GLU 31 64.296 3.713 7.563 210 1HG GLU 31 HG2 GLU 31 63.482 5.965 8.065 211 2HG GLU 31 HG1 GLU 31 62.640 5.362 9.493 212 H VAL 32 HN VAL 32 60.415 4.810 6.065 213 HA VAL 32 HA VAL 32 62.072 4.699 3.588 214 HB VAL 32 HB VAL 32 59.121 5.071 4.174 215 1HG1 VAL 32 HG11 VAL 32 60.052 6.292 2.111 216 2HG1 VAL 32 HG12 VAL 32 58.719 5.172 1.838 217 3HG1 VAL 32 HG13 VAL 32 60.371 4.688 1.451 218 1HG2 VAL 32 HG21 VAL 32 60.607 2.812 2.789 219 2HG2 VAL 32 HG22 VAL 32 58.904 2.838 3.247 220 3HG2 VAL 32 HG23 VAL 32 60.150 2.783 4.495 221 H TYR 33 HN TYR 33 62.816 6.580 2.685 222 HA TYR 33 HA TYR 33 61.684 9.187 3.643 223 1HB TYR 33 HB2 TYR 33 63.996 8.213 4.568 224 2HB TYR 33 HB1 TYR 33 64.605 8.873 3.048 225 HD1 TYR 33 HD1 TYR 33 64.651 9.700 6.264 226 HD2 TYR 33 HD2 TYR 33 62.972 11.246 2.627 227 HE1 TYR 33 HE1 TYR 33 64.638 11.980 7.240 228 HE2 TYR 33 HE2 TYR 33 62.958 13.526 3.600 229 HH TYR 33 HH TYR 33 63.917 14.797 5.310 230 H GLY 34 HN GLY 34 61.061 10.400 1.889 231 1HA GLY 34 HA2 GLY 34 60.753 10.935 -0.394 232 2HA GLY 34 HA1 GLY 34 62.508 11.102 -0.346 233 H THR 35 HN THR 35 60.619 8.119 0.051 234 HA THR 35 HA THR 35 62.228 6.886 -2.120 235 HB THR 35 HB THR 35 60.270 5.791 -0.073 236 HG1 THR 35 HG1 THR 35 63.040 6.169 -0.181 237 1HG2 THR 35 HG21 THR 35 61.520 3.617 -0.721 238 2HG2 THR 35 HG22 THR 35 61.981 4.489 -2.182 239 3HG2 THR 35 HG23 THR 35 60.277 4.211 -1.821 240 H THR 36 HN THR 36 60.916 5.322 -3.580 241 HA THR 36 HA THR 36 58.560 6.813 -4.628 242 HB THR 36 HB THR 36 59.054 5.625 -6.676 243 HG1 THR 36 HG1 THR 36 59.549 3.613 -6.164 244 1HG2 THR 36 HG21 THR 36 61.503 6.566 -5.178 245 2HG2 THR 36 HG22 THR 36 60.549 7.454 -6.365 246 3HG2 THR 36 HG23 THR 36 61.558 6.100 -6.877 247 H CYS 37 HN CYS 37 59.503 3.407 -3.952 248 HA CYS 37 HA CYS 37 58.153 1.562 -3.342 249 1HB CYS 37 HB2 CYS 37 57.584 3.636 -1.724 250 2HB CYS 37 HB1 CYS 37 56.006 3.443 -2.486 251 H THR 38 HN THR 38 57.934 2.448 -6.057 252 HA THR 38 HA THR 38 55.023 2.390 -6.674 253 HB THR 38 HB THR 38 57.116 2.482 -8.785 254 HG1 THR 38 HG1 THR 38 58.058 4.209 -8.057 255 1HG2 THR 38 HG21 THR 38 55.615 3.964 -9.809 256 2HG2 THR 38 HG22 THR 38 54.905 4.455 -8.271 257 3HG2 THR 38 HG23 THR 38 54.543 2.863 -8.941 258 H GLY 39 HN GLY 39 55.115 0.019 -5.818 259 1HA GLY 39 HA2 GLY 39 54.533 -2.114 -6.850 260 2HA GLY 39 HA1 GLY 39 55.668 -1.749 -8.152 261 H SER 40 HN SER 40 55.715 -2.141 -4.591 262 HA SER 40 HA SER 40 57.853 -4.143 -4.794 263 1HB SER 40 HB2 SER 40 59.518 -2.739 -3.657 264 2HB SER 40 HB1 SER 40 58.988 -1.953 -5.140 265 HG SER 40 HG SER 40 57.422 -1.333 -2.988 266 H ARG 41 HN ARG 41 58.428 -4.962 -2.598 267 HA ARG 41 HA ARG 41 56.304 -4.356 -0.565 268 1HB ARG 41 HB2 ARG 41 55.762 -6.494 -1.325 269 2HB ARG 41 HB1 ARG 41 57.438 -6.896 -1.694 270 1HG ARG 41 HG2 ARG 41 56.562 -8.135 0.291 271 2HG ARG 41 HG1 ARG 41 57.953 -7.122 0.678 272 1HD ARG 41 HD2 ARG 41 56.670 -5.583 1.888 273 2HD ARG 41 HD1 ARG 41 55.189 -5.968 0.985 274 HE ARG 41 HE ARG 41 56.403 -8.061 2.728 275 1HH1 ARG 41 HH2 ARG 41 53.712 -8.255 1.280 276 2HH1 ARG 41 HH2 ARG 41 52.615 -7.966 2.588 277 1HH2 ARG 41 HH1 ARG 41 55.047 -6.679 4.696 278 2HH2 ARG 41 HH1 ARG 41 53.371 -7.078 4.521 279 H PHE 42 HN PHE 42 57.171 -3.602 1.318 280 HA PHE 42 HA PHE 42 60.092 -4.029 1.814 281 1HB PHE 42 HB2 PHE 42 58.018 -1.980 2.504 282 2HB PHE 42 HB1 PHE 42 59.427 -2.134 3.547 283 HD1 PHE 42 HD1 PHE 42 59.251 -2.656 -0.147 284 HD2 PHE 42 HD2 PHE 42 60.648 -0.169 3.068 285 HE1 PHE 42 HE1 PHE 42 60.588 -1.329 -1.764 286 HE2 PHE 42 HE2 PHE 42 61.981 1.160 1.453 287 HZ PHE 42 HZ PHE 42 61.953 0.579 -0.958 288 H ASP 43 HN ASP 43 60.636 -4.259 4.223 289 HA ASP 43 HA ASP 43 58.660 -5.200 6.106 290 1HB ASP 43 HB2 ASP 43 59.864 -7.067 4.154 291 2HB ASP 43 HB1 ASP 43 59.926 -7.620 5.827 292 H GLY 44 HN GLY 44 59.863 -3.983 7.632 293 1HA GLY 44 HA2 GLY 44 61.546 -3.637 9.232 294 2HA GLY 44 HA1 GLY 44 62.093 -5.278 8.885 295 H VAL 45 HN VAL 45 62.115 -2.029 7.375 296 HA VAL 45 HA VAL 45 64.977 -2.479 6.676 297 HB VAL 45 HB VAL 45 62.620 -2.427 4.909 298 1HG1 VAL 45 HG11 VAL 45 64.299 -1.361 3.098 299 2HG1 VAL 45 HG12 VAL 45 64.832 -0.466 4.513 300 3HG1 VAL 45 HG13 VAL 45 63.145 -0.382 4.000 301 1HG2 VAL 45 HG21 VAL 45 64.966 -3.916 5.295 302 2HG2 VAL 45 HG22 VAL 45 65.165 -3.149 3.720 303 3HG2 VAL 45 HG23 VAL 45 63.756 -4.162 4.036 304 H THR 46 HN THR 46 66.145 -0.518 6.404 305 HA THR 46 HA THR 46 64.629 1.973 7.090 306 HB THR 46 HB THR 46 67.418 1.073 7.881 307 HG1 THR 46 HG1 THR 46 66.499 0.533 9.689 308 1HG2 THR 46 HG21 THR 46 67.857 3.189 8.626 309 2HG2 THR 46 HG22 THR 46 66.172 3.498 9.047 310 3HG2 THR 46 HG23 THR 46 66.701 3.631 7.369 311 H ILE 47 HN ILE 47 64.440 2.530 4.856 312 HA ILE 47 HA ILE 47 67.018 3.028 3.407 313 HB ILE 47 HB ILE 47 65.532 2.835 1.403 314 1HG1 ILE 47 HG12 ILE 47 63.250 1.683 2.708 315 2HG1 ILE 47 HG11 ILE 47 63.549 3.275 3.410 316 1HG2 ILE 47 HG21 ILE 47 65.983 0.731 3.411 317 2HG2 ILE 47 HG22 ILE 47 66.280 0.708 1.672 318 3HG2 ILE 47 HG23 ILE 47 64.664 0.378 2.297 319 1HD1 ILE 47 HD1 ILE 47 62.053 3.301 1.371 320 2HD1 ILE 47 HD1 ILE 47 63.443 2.767 0.424 321 3HD1 ILE 47 HD1 ILE 47 63.481 4.329 1.243 322 H THR 48 HN THR 48 66.885 5.002 1.923 323 HA THR 48 HA THR 48 65.181 7.139 3.152 324 HB THR 48 HB THR 48 67.735 7.029 3.638 325 HG1 THR 48 HG1 THR 48 67.827 9.378 3.250 326 1HG2 THR 48 HG21 THR 48 68.232 8.574 1.198 327 2HG2 THR 48 HG22 THR 48 67.866 6.879 0.882 328 3HG2 THR 48 HG23 THR 48 69.208 7.309 1.943 329 H THR 49 HN THR 49 66.211 9.094 1.203 330 HA THR 49 HA THR 49 64.306 8.847 -0.886 331 HB THR 49 HB THR 49 66.960 10.262 -1.145 332 HG1 THR 49 HG1 THR 49 66.500 11.010 0.775 333 1HG2 THR 49 HG21 THR 49 64.292 10.408 -2.344 334 2HG2 THR 49 HG22 THR 49 65.825 11.048 -2.936 335 3HG2 THR 49 HG23 THR 49 64.874 11.973 -1.774 336 H SER 50 HN SER 50 64.459 6.715 -1.812 337 HA SER 50 HA SER 50 66.782 6.397 -3.664 338 1HB SER 50 HB2 SER 50 67.269 4.286 -2.823 339 2HB SER 50 HB1 SER 50 66.702 5.075 -1.354 340 HG SER 50 HG SER 50 64.559 4.256 -2.037 341 H THR 51 HN THR 51 66.221 5.527 -5.661 342 HA THR 51 HA THR 51 63.320 5.282 -6.227 343 HB THR 51 HB THR 51 64.726 4.922 -8.578 344 HG1 THR 51 HG1 THR 51 66.695 5.467 -8.158 345 1HG2 THR 51 HG21 THR 51 63.242 6.998 -7.233 346 2HG2 THR 51 HG22 THR 51 63.371 6.673 -8.961 347 3HG2 THR 51 HG23 THR 51 64.557 7.709 -8.168 348 H SER 52 HN SER 52 64.118 3.152 -4.669 349 HA SER 52 HA SER 52 64.644 0.896 -6.559 350 1HB SER 52 HB2 SER 52 65.758 1.612 -4.150 351 2HB SER 52 HB1 SER 52 64.553 0.430 -3.644 352 HG SER 52 HG SER 52 65.898 -1.013 -4.340 353 H THR 53 HN THR 53 63.129 -0.772 -6.754 354 HA THR 53 HA THR 53 60.971 -1.330 -4.972 355 HB THR 53 HB THR 53 59.358 -0.200 -6.918 356 HG1 THR 53 HG1 THR 53 60.294 1.986 -6.975 357 1HG2 THR 53 HG21 THR 53 59.638 1.791 -4.990 358 2HG2 THR 53 HG22 THR 53 60.126 0.317 -4.153 359 3HG2 THR 53 HG23 THR 53 58.536 0.417 -4.912 360 H GLY 54 HN GLY 54 60.158 -3.319 -5.626 361 1HA GLY 54 HA2 GLY 54 59.208 -4.394 -7.842 362 2HA GLY 54 HA1 GLY 54 60.892 -4.260 -8.351 363 H SER 55 HN SER 55 61.689 -4.743 -5.449 364 HA SER 55 HA SER 55 61.260 -7.712 -5.453 365 1HB SER 55 HB2 SER 55 63.568 -7.805 -4.568 366 2HB SER 55 HB1 SER 55 63.523 -6.952 -6.109 367 HG SER 55 HG SER 55 63.809 -5.064 -5.083 368 H ARG 56 HN ARG 56 61.935 -8.537 -3.091 369 HA ARG 56 HA ARG 56 60.211 -7.036 -1.190 370 1HB ARG 56 HB2 ARG 56 61.607 -9.735 -1.148 371 2HB ARG 56 HB1 ARG 56 60.574 -9.145 0.155 372 1HG ARG 56 HG2 ARG 56 58.650 -9.098 -1.270 373 2HG ARG 56 HG1 ARG 56 59.633 -9.347 -2.714 374 1HD ARG 56 HD2 ARG 56 59.277 -11.573 -2.467 375 2HD ARG 56 HD1 ARG 56 60.250 -11.503 -0.983 376 HE ARG 56 HE ARG 56 58.142 -10.959 0.245 377 1HH1 ARG 56 HH2 ARG 56 57.078 -10.750 -2.833 378 2HH1 ARG 56 HH2 ARG 56 55.845 -11.961 -2.725 379 1HH2 ARG 56 HH1 ARG 56 56.931 -13.168 0.340 380 2HH2 ARG 56 HH1 ARG 56 55.763 -13.333 -0.929 381 H ILE 57 HN ILE 57 61.284 -5.456 -0.010 382 HA ILE 57 HA ILE 57 64.195 -5.790 0.508 383 HB ILE 57 HB ILE 57 62.172 -3.559 0.570 384 1HG1 ILE 57 HG12 ILE 57 63.708 -4.485 -1.441 385 2HG1 ILE 57 HG11 ILE 57 63.285 -2.783 -1.288 386 1HG2 ILE 57 HG21 ILE 57 64.302 -2.167 1.249 387 2HG2 ILE 57 HG22 ILE 57 64.827 -3.693 1.957 388 3HG2 ILE 57 HG23 ILE 57 63.322 -2.943 2.492 389 1HD1 ILE 57 HD1 ILE 57 65.752 -3.826 0.084 390 2HD1 ILE 57 HD1 ILE 57 65.403 -2.191 -0.485 391 3HD1 ILE 57 HD1 ILE 57 65.800 -3.463 -1.643 392 H SER 58 HN SER 58 64.943 -6.349 2.505 393 HA SER 58 HA SER 58 63.267 -5.836 4.916 394 1HB SER 58 HB2 SER 58 63.578 -8.343 3.558 395 2HB SER 58 HB1 SER 58 64.393 -8.455 5.115 396 HG SER 58 HG SER 58 62.461 -7.700 6.080 397 H GLY 59 HN GLY 59 64.602 -6.175 6.940 398 1HA GLY 59 HA2 GLY 59 67.220 -6.818 7.264 399 2HA GLY 59 HA1 GLY 59 67.358 -5.247 6.478 400 HA PRO 60 HA PRO 60 65.716 -4.868 10.996 401 1HB PRO 60 HB2 PRO 60 67.504 -6.112 12.661 402 2HB PRO 60 HB1 PRO 60 66.029 -6.904 12.067 403 1HG PRO 60 HG2 PRO 60 68.837 -7.177 11.118 404 2HG PRO 60 HG1 PRO 60 67.579 -8.411 11.291 405 1HD PRO 60 HD2 PRO 60 68.263 -7.298 8.901 406 2HD PRO 60 HD1 PRO 60 66.639 -7.926 9.259 407 H GLY 61 HN GLY 61 68.613 -4.630 9.295 408 1HA GLY 61 HA2 GLY 61 69.324 -2.129 10.662 409 2HA GLY 61 HA1 GLY 61 70.559 -3.391 10.696 410 H CYS 62 HN CYS 62 68.365 -3.143 7.988 411 HA CYS 62 HA CYS 62 70.546 -2.930 6.096 412 1HB CYS 62 HB2 CYS 62 68.532 -4.107 5.526 413 2HB CYS 62 HB1 CYS 62 67.528 -2.726 5.963 414 H LYS 63 HN LYS 63 71.207 -1.132 4.901 415 HA LYS 63 HA LYS 63 69.898 1.497 5.481 416 1HB LYS 63 HB2 LYS 63 72.807 0.676 5.683 417 2HB LYS 63 HB1 LYS 63 72.316 2.367 5.568 418 1HG LYS 63 HG2 LYS 63 70.702 1.027 7.547 419 2HG LYS 63 HG1 LYS 63 72.410 0.765 7.899 420 1HD LYS 63 HD2 LYS 63 72.436 3.409 7.245 421 2HD LYS 63 HD1 LYS 63 70.833 3.267 7.967 422 1HE LYS 63 HE2 LYS 63 71.924 2.096 9.940 423 2HE LYS 63 HE1 LYS 63 73.491 2.553 9.244 424 1HZ LYS 63 HZ1 LYS 63 72.626 4.235 10.806 425 2HZ LYS 63 HZ2 LYS 63 71.274 4.453 9.799 426 3HZ LYS 63 HZ3 LYS 63 72.828 4.847 9.236 427 H ILE 64 HN ILE 64 69.093 1.905 3.424 428 HA ILE 64 HA ILE 64 70.882 1.389 1.094 429 HB ILE 64 HB ILE 64 68.229 0.797 1.664 430 1HG1 ILE 64 HG12 ILE 64 69.695 1.009 -0.977 431 2HG1 ILE 64 HG11 ILE 64 69.571 -0.409 0.064 432 1HG2 ILE 64 HG21 ILE 64 67.582 3.159 1.275 433 2HG2 ILE 64 HG22 ILE 64 66.883 2.084 0.064 434 3HG2 ILE 64 HG23 ILE 64 68.285 3.075 -0.340 435 1HD1 ILE 64 HD1 ILE 64 67.402 0.900 -1.576 436 2HD1 ILE 64 HD1 ILE 64 67.023 -0.198 -0.247 437 3HD1 ILE 64 HD1 ILE 64 67.953 -0.776 -1.630 438 H SER 65 HN SER 65 71.104 3.051 -0.531 439 HA SER 65 HA SER 65 70.281 5.811 0.217 440 1HB SER 65 HB2 SER 65 72.367 6.007 1.148 441 2HB SER 65 HB1 SER 65 72.989 4.610 0.273 442 HG SER 65 HG SER 65 73.862 6.009 -1.016 443 H THR 66 HN THR 66 69.026 6.017 -1.675 444 HA THR 66 HA THR 66 68.583 6.298 -3.977 445 HB THR 66 HB THR 66 70.262 7.516 -5.098 446 HG1 THR 66 HG1 THR 66 71.881 6.023 -5.157 447 1HG2 THR 66 HG21 THR 66 70.893 9.107 -3.541 448 2HG2 THR 66 HG22 THR 66 71.358 7.900 -2.341 449 3HG2 THR 66 HG23 THR 66 69.654 8.250 -2.625 450 H CYS 67 HN CYS 67 67.968 4.209 -4.616 451 HA CYS 67 HA CYS 67 70.156 2.414 -5.615 452 1HB CYS 67 HB2 CYS 67 68.232 2.005 -3.673 453 2HB CYS 67 HB1 CYS 67 67.490 1.279 -5.098 454 H ILE 68 HN ILE 68 68.136 0.695 -6.895 455 HA ILE 68 HA ILE 68 67.202 2.483 -9.115 456 HB ILE 68 HB ILE 68 69.354 1.266 -9.574 457 1HG1 ILE 68 HG12 ILE 68 66.976 0.309 -11.203 458 2HG1 ILE 68 HG11 ILE 68 67.766 1.874 -11.394 459 1HG2 ILE 68 HG21 ILE 68 69.578 -0.947 -9.169 460 2HG2 ILE 68 HG22 ILE 68 68.046 -1.321 -9.956 461 3HG2 ILE 68 HG23 ILE 68 68.069 -0.824 -8.264 462 1HD1 ILE 68 HD1 ILE 68 69.759 0.909 -12.203 463 2HD1 ILE 68 HD1 ILE 68 68.497 -0.055 -12.971 464 3HD1 ILE 68 HD1 ILE 68 69.352 -0.684 -11.563 465 H ILE 69 HN ILE 69 65.179 1.908 -9.973 466 HA ILE 69 HA ILE 69 63.542 0.080 -8.366 467 HB ILE 69 HB ILE 69 62.593 2.160 -9.115 468 1HG1 ILE 69 HG12 ILE 69 61.293 0.442 -11.149 469 2HG1 ILE 69 HG11 ILE 69 61.388 -0.252 -9.531 470 1HG2 ILE 69 HG21 ILE 69 62.345 2.205 -11.813 471 2HG2 ILE 69 HG22 ILE 69 63.893 1.371 -11.667 472 3HG2 ILE 69 HG23 ILE 69 63.684 2.972 -10.957 473 1HD1 ILE 69 HD1 ILE 69 59.550 1.693 -10.460 474 2HD1 ILE 69 HD1 ILE 69 60.627 2.517 -9.332 475 3HD1 ILE 69 HD1 ILE 69 59.733 1.088 -8.814 476 H THR 70 HN THR 70 63.868 -2.091 -8.761 477 HA THR 70 HA THR 70 63.442 -3.053 -11.541 478 HB THR 70 HB THR 70 65.769 -4.011 -9.865 479 HG1 THR 70 HG1 THR 70 65.991 -2.151 -11.964 480 1HG2 THR 70 HG21 THR 70 65.413 -4.001 -12.865 481 2HG2 THR 70 HG22 THR 70 64.839 -5.326 -11.853 482 3HG2 THR 70 HG23 THR 70 66.559 -4.942 -11.910 483 H GLY 71 HN GLY 71 62.945 -5.398 -11.565 484 1HA GLY 71 HA2 GLY 71 61.475 -6.199 -9.145 485 2HA GLY 71 HA1 GLY 71 61.471 -7.052 -10.689 486 H GLY 72 HN GLY 72 63.698 -6.281 -7.999 487 1HA GLY 72 HA2 GLY 72 64.680 -8.227 -6.771 488 2HA GLY 72 HA1 GLY 72 64.830 -9.031 -8.334 489 H VAL 73 HN VAL 73 66.289 -6.757 -6.158 490 HA VAL 73 HA VAL 73 68.266 -5.800 -8.129 491 HB VAL 73 HB VAL 73 69.143 -4.637 -6.076 492 1HG1 VAL 73 HG11 VAL 73 67.186 -3.190 -5.780 493 2HG1 VAL 73 HG12 VAL 73 66.142 -4.432 -6.472 494 3HG1 VAL 73 HG13 VAL 73 67.353 -3.636 -7.478 495 1HG2 VAL 73 HG21 VAL 73 67.904 -6.721 -4.748 496 2HG2 VAL 73 HG22 VAL 73 66.796 -5.377 -4.471 497 3HG2 VAL 73 HG23 VAL 73 68.487 -5.240 -3.990 498 HA PRO 74 HA PRO 74 71.371 -8.799 -7.341 499 1HB PRO 74 HB2 PRO 74 73.653 -7.287 -7.292 500 2HB PRO 74 HB1 PRO 74 72.751 -7.631 -8.782 501 1HG PRO 74 HG2 PRO 74 72.740 -5.184 -7.086 502 2HG PRO 74 HG1 PRO 74 72.707 -5.332 -8.849 503 1HD PRO 74 HD2 PRO 74 70.498 -4.797 -7.355 504 2HD PRO 74 HD1 PRO 74 70.438 -5.659 -8.908 505 H ALA 75 HN ALA 75 73.009 -9.505 -5.720 506 HA ALA 75 HA ALA 75 72.252 -8.726 -3.012 507 1HB ALA 75 HB1 ALA 75 73.843 -10.786 -4.421 508 2HB ALA 75 HB2 ALA 75 72.729 -10.961 -3.066 509 3HB ALA 75 HB3 ALA 75 74.382 -10.416 -2.785 510 HA PRO 76 HA PRO 76 76.785 -7.219 -2.828 511 1HB PRO 76 HB2 PRO 76 78.210 -7.088 -5.158 512 2HB PRO 76 HB1 PRO 76 78.160 -8.538 -4.136 513 1HG PRO 76 HG2 PRO 76 76.695 -7.943 -6.651 514 2HG PRO 76 HG1 PRO 76 77.383 -9.470 -6.078 515 1HD PRO 76 HD2 PRO 76 74.720 -8.844 -5.958 516 2HD PRO 76 HD1 PRO 76 75.519 -10.003 -4.875 517 H SER 77 HN SER 77 74.847 -6.359 -5.636 518 HA SER 77 HA SER 77 74.133 -4.216 -6.365 519 1HB SER 77 HB2 SER 77 73.843 -2.809 -4.604 520 2HB SER 77 HB1 SER 77 74.597 -4.073 -3.636 521 HG SER 77 HG SER 77 75.554 -1.633 -4.413 522 H ALA 78 HN ALA 78 77.403 -3.773 -4.928 523 HA ALA 78 HA ALA 78 79.289 -2.664 -5.862 524 1HB ALA 78 HB1 ALA 78 78.683 -3.835 -8.507 525 2HB ALA 78 HB2 ALA 78 78.611 -4.985 -7.172 526 3HB ALA 78 HB3 ALA 78 80.091 -4.075 -7.473 527 H ALA 79 HN ALA 79 76.573 -1.369 -6.138 528 HA ALA 79 HA ALA 79 77.348 0.727 -8.053 529 1HB ALA 79 HB1 ALA 79 74.998 0.309 -9.163 530 2HB ALA 79 HB2 ALA 79 75.164 -1.309 -8.476 531 3HB ALA 79 HB3 ALA 79 76.357 -0.713 -9.633 532 H CYS 80 HN CYS 80 74.358 -0.525 -6.532 533 HA CYS 80 HA CYS 80 73.454 2.116 -5.724 534 1HB CYS 80 HB2 CYS 80 71.890 0.351 -6.245 535 2HB CYS 80 HB1 CYS 80 72.654 -0.740 -5.091 536 H LYS 81 HN LYS 81 73.029 2.599 -3.342 537 HA LYS 81 HA LYS 81 75.403 1.769 -1.729 538 1HB LYS 81 HB2 LYS 81 73.494 4.114 -1.709 539 2HB LYS 81 HB1 LYS 81 74.646 3.836 -0.404 540 1HG LYS 81 HG2 LYS 81 75.941 5.183 -1.764 541 2HG LYS 81 HG1 LYS 81 76.347 3.608 -2.446 542 1HD LYS 81 HD2 LYS 81 74.292 4.012 -4.000 543 2HD LYS 81 HD1 LYS 81 74.476 5.703 -3.531 544 1HE LYS 81 HE2 LYS 81 77.054 5.151 -4.131 545 2HE LYS 81 HE1 LYS 81 76.247 4.016 -5.232 546 1HZ LYS 81 HZ1 LYS 81 75.525 6.886 -4.944 547 2HZ LYS 81 HZ2 LYS 81 74.868 5.783 -6.057 548 3HZ LYS 81 HZ3 LYS 81 76.492 6.265 -6.191 549 H ILE 82 HN ILE 82 74.344 -0.302 -1.142 550 HA ILE 82 HA ILE 82 72.165 0.039 0.893 551 HB ILE 82 HB ILE 82 71.366 -1.170 -1.004 552 1HG1 ILE 82 HG12 ILE 82 71.136 -2.223 1.374 553 2HG1 ILE 82 HG11 ILE 82 70.711 -3.203 -0.027 554 1HG2 ILE 82 HG21 ILE 82 74.041 -2.562 -0.881 555 2HG2 ILE 82 HG22 ILE 82 73.352 -1.635 -2.214 556 3HG2 ILE 82 HG23 ILE 82 72.690 -3.219 -1.805 557 1HD1 ILE 82 HD1 ILE 82 72.561 -3.862 1.977 558 2HD1 ILE 82 HD1 ILE 82 73.547 -3.430 0.582 559 3HD1 ILE 82 HD1 ILE 82 72.331 -4.699 0.443 560 H SER 83 HN SER 83 72.345 -1.446 2.769 561 HA SER 83 HA SER 83 74.918 -2.859 3.129 562 1HB SER 83 HB2 SER 83 75.280 -0.420 3.620 563 2HB SER 83 HB1 SER 83 74.076 -0.547 4.900 564 HG SER 83 HG SER 83 76.600 -1.025 5.128 565 H GLY 84 HN GLY 84 74.138 -4.781 3.902 566 1HA GLY 84 HA2 GLY 84 73.185 -6.256 5.463 567 2HA GLY 84 HA1 GLY 84 72.798 -4.861 6.468 568 H CYS 85 HN CYS 85 71.756 -6.129 3.271 569 HA CYS 85 HA CYS 85 68.931 -5.800 4.219 570 1HB CYS 85 HB2 CYS 85 70.273 -4.235 2.320 571 2HB CYS 85 HB1 CYS 85 69.306 -5.358 1.363 572 H THR 86 HN THR 86 67.409 -7.161 2.936 573 HA THR 86 HA THR 86 68.691 -9.454 1.517 574 HB THR 86 HB THR 86 66.516 -10.005 3.482 575 HG1 THR 86 HG1 THR 86 67.708 -8.836 4.837 576 1HG2 THR 86 HG21 THR 86 68.415 -11.870 3.873 577 2HG2 THR 86 HG22 THR 86 68.846 -11.368 2.237 578 3HG2 THR 86 HG23 THR 86 67.227 -11.984 2.573 579 H PHE 87 HN PHE 87 67.672 -9.262 -0.467 580 HA PHE 87 HA PHE 87 64.696 -9.204 -0.447 581 1HB PHE 87 HB2 PHE 87 65.074 -7.534 -2.469 582 2HB PHE 87 HB1 PHE 87 65.108 -6.935 -0.813 583 HD1 PHE 87 HD1 PHE 87 67.580 -8.726 -3.008 584 HD2 PHE 87 HD2 PHE 87 66.754 -5.350 -0.482 585 HE1 PHE 87 HE1 PHE 87 69.904 -7.920 -3.323 586 HE2 PHE 87 HE2 PHE 87 69.077 -4.545 -0.799 587 HZ PHE 87 HZ PHE 87 70.653 -5.831 -2.220 588 H SER 88 HN SER 88 63.785 -9.793 -2.609 589 HA SER 88 HA SER 88 65.490 -11.010 -4.621 590 1HB SER 88 HB2 SER 88 64.297 -13.326 -3.942 591 2HB SER 88 HB1 SER 88 65.842 -12.835 -3.255 592 HG SER 88 HG SER 88 63.645 -13.343 -1.959 593 H ALA 89 HN ALA 89 63.845 -9.358 -5.539 594 HA ALA 89 HA ALA 89 61.939 -8.975 -6.877 595 1HB ALA 89 HB1 ALA 89 62.770 -11.722 -7.085 596 2HB ALA 89 HB2 ALA 89 62.018 -10.707 -8.316 597 3HB ALA 89 HB3 ALA 89 61.012 -11.641 -7.208 598 H ASN 90 HN ASN 90 59.719 -8.626 -6.556 599 HA ASN 90 HA ASN 90 58.490 -9.937 -4.150 600 1HB ASN 90 HB2 ASN 90 58.897 -7.755 -3.429 601 2HB ASN 90 HB1 ASN 90 58.723 -7.082 -5.050 602 1HD2 ASN 90 HD2 ASN 90 56.602 -8.953 -2.784 603 2HD2 ASN 90 HD2 ASN 90 55.247 -7.957 -3.010 Start of MODEL 15 1 1H ASP 1 HT1 ASP 1 47.346 12.407 1.009 2 2H ASP 1 HT2 ASP 1 46.962 10.774 1.276 3 3H ASP 1 HT3 ASP 1 48.345 11.452 1.995 4 HA ASP 1 HA ASP 1 47.157 12.566 3.601 5 1HB ASP 1 HB2 ASP 1 44.837 13.275 3.168 6 2HB ASP 1 HB1 ASP 1 45.877 13.749 1.825 7 H GLY 2 HN GLY 2 47.634 10.420 4.568 8 1HA GLY 2 HA2 GLY 2 45.284 9.123 5.577 9 2HA GLY 2 HA1 GLY 2 46.018 8.119 4.325 10 H SER 3 HN SER 3 46.271 9.205 7.591 11 HA SER 3 HA SER 3 47.655 8.433 9.346 12 1HB SER 3 HB2 SER 3 47.667 6.198 8.998 13 2HB SER 3 HB1 SER 3 47.622 6.417 7.253 14 HG SER 3 HG SER 3 49.587 5.450 8.482 15 H CYS 4 HN CYS 4 49.628 8.005 6.376 16 HA CYS 4 HA CYS 4 51.435 10.182 7.289 17 1HB CYS 4 HB2 CYS 4 51.858 7.437 7.808 18 2HB CYS 4 HB1 CYS 4 52.961 7.850 6.496 19 H THR 5 HN THR 5 51.971 7.530 4.977 20 HA THR 5 HA THR 5 51.529 9.396 2.698 21 HB THR 5 HB THR 5 53.915 9.511 3.525 22 HG1 THR 5 HG1 THR 5 54.574 9.657 1.511 23 1HG2 THR 5 HG21 THR 5 54.405 6.813 2.358 24 2HG2 THR 5 HG22 THR 5 53.719 6.878 3.980 25 3HG2 THR 5 HG23 THR 5 55.267 7.653 3.645 26 H ASN 6 HN ASN 6 49.699 7.568 2.959 27 HA ASN 6 HA ASN 6 50.234 5.593 0.852 28 1HB ASN 6 HB2 ASN 6 49.693 3.691 2.437 29 2HB ASN 6 HB1 ASN 6 51.233 4.490 2.760 30 1HD2 ASN 6 HD2 ASN 6 50.466 3.313 4.985 31 2HD2 ASN 6 HD2 ASN 6 49.666 4.345 6.068 32 H THR 7 HN THR 7 48.375 6.259 -0.257 33 HA THR 7 HA THR 7 45.780 6.284 1.234 34 HB THR 7 HB THR 7 45.101 7.374 -1.042 35 HG1 THR 7 HG1 THR 7 47.083 6.677 -2.047 36 1HG2 THR 7 HG21 THR 7 45.951 8.394 1.345 37 2HG2 THR 7 HG22 THR 7 45.363 9.375 0.002 38 3HG2 THR 7 HG23 THR 7 47.096 9.137 0.229 39 H ASN 8 HN ASN 8 47.175 3.835 0.488 40 HA ASN 8 HA ASN 8 45.061 2.264 -0.586 41 1HB ASN 8 HB2 ASN 8 46.136 3.873 -2.515 42 2HB ASN 8 HB1 ASN 8 47.140 2.436 -2.692 43 1HD2 ASN 8 HD2 ASN 8 46.162 1.683 -4.668 44 2HD2 ASN 8 HD2 ASN 8 44.553 1.145 -4.737 45 H SER 9 HN SER 9 48.455 2.737 0.078 46 HA SER 9 HA SER 9 48.954 -0.205 0.040 47 1HB SER 9 HB2 SER 9 51.364 0.852 0.329 48 2HB SER 9 HB1 SER 9 50.568 0.890 -1.242 49 HG SER 9 HG SER 9 50.046 2.989 -0.931 50 H GLN 10 HN GLN 10 51.111 -0.209 1.847 51 HA GLN 10 HA GLN 10 49.969 0.815 4.414 52 1HB GLN 10 HB2 GLN 10 50.255 -1.954 3.436 53 2HB GLN 10 HB1 GLN 10 50.894 -1.693 5.060 54 1HG GLN 10 HG2 GLN 10 48.598 -2.249 5.372 55 2HG GLN 10 HG1 GLN 10 48.686 -0.499 5.573 56 1HE2 GLN 10 HE21 GLN 10 46.446 -0.211 4.864 57 2HE2 GLN 10 HE22 GLN 10 46.008 -0.407 3.236 58 H LEU 11 HN LEU 11 51.581 1.898 5.457 59 HA LEU 11 HA LEU 11 54.422 1.289 4.789 60 1HB LEU 11 HB2 LEU 11 53.352 3.610 4.699 61 2HB LEU 11 HB1 LEU 11 53.253 3.533 6.459 62 HG LEU 11 HG LEU 11 55.796 2.943 6.331 63 1HD1 LEU 11 HD1 LEU 11 56.821 4.180 4.334 64 2HD1 LEU 11 HD1 LEU 11 55.216 4.116 3.604 65 3HD1 LEU 11 HD1 LEU 11 56.073 2.622 3.986 66 1HD2 LEU 11 HD2 LEU 11 55.495 5.755 5.500 67 2HD2 LEU 11 HD2 LEU 11 56.127 5.090 7.007 68 3HD2 LEU 11 HD2 LEU 11 54.386 5.265 6.781 69 H SER 12 HN SER 12 52.701 -0.420 6.572 70 HA SER 12 HA SER 12 53.113 -1.678 8.535 71 1HB SER 12 HB2 SER 12 55.306 -1.712 9.177 72 2HB SER 12 HB1 SER 12 55.536 -0.732 7.735 73 HG SER 12 HG SER 12 55.910 -0.085 10.308 74 H ALA 13 HN ALA 13 52.333 1.573 8.401 75 HA ALA 13 HA ALA 13 51.518 3.114 10.006 76 1HB ALA 13 HB1 ALA 13 50.807 0.409 11.188 77 2HB ALA 13 HB2 ALA 13 49.825 1.347 10.063 78 3HB ALA 13 HB3 ALA 13 50.094 1.937 11.704 79 H ASN 14 HN ASN 14 54.319 1.848 10.368 80 HA ASN 14 HA ASN 14 54.799 2.979 13.053 81 1HB ASN 14 HB2 ASN 14 54.079 0.492 13.147 82 2HB ASN 14 HB1 ASN 14 55.660 0.150 12.445 83 1HD2 ASN 14 HD2 ASN 14 56.424 -0.881 14.432 84 2HD2 ASN 14 HD2 ASN 14 56.788 0.037 15.813 85 H SER 15 HN SER 15 55.726 2.841 9.932 86 HA SER 15 HA SER 15 58.656 2.776 10.499 87 1HB SER 15 HB2 SER 15 57.123 2.761 7.877 88 2HB SER 15 HB1 SER 15 58.846 2.452 8.072 89 HG SER 15 HG SER 15 57.523 0.540 7.934 90 H LYS 16 HN LYS 16 59.011 4.371 7.946 91 HA LYS 16 HA LYS 16 58.326 7.061 9.094 92 1HB LYS 16 HB2 LYS 16 60.780 6.038 8.836 93 2HB LYS 16 HB1 LYS 16 60.589 6.628 7.184 94 1HG LYS 16 HG2 LYS 16 60.528 8.840 7.829 95 2HG LYS 16 HG1 LYS 16 59.808 8.471 9.397 96 1HD LYS 16 HD2 LYS 16 62.116 7.301 9.866 97 2HD LYS 16 HD1 LYS 16 62.690 8.342 8.563 98 1HE LYS 16 HE2 LYS 16 61.112 9.436 10.909 99 2HE LYS 16 HE1 LYS 16 62.884 9.336 10.914 100 1HZ LYS 16 HZ1 LYS 16 62.570 11.373 9.933 101 2HZ LYS 16 HZ2 LYS 16 61.118 10.920 9.175 102 3HZ LYS 16 HZ3 LYS 16 62.606 10.380 8.559 103 H CYS 17 HN CYS 17 57.257 8.473 7.739 104 HA CYS 17 HA CYS 17 56.765 7.566 4.919 105 1HB CYS 17 HB2 CYS 17 54.598 8.738 5.206 106 2HB CYS 17 HB1 CYS 17 54.823 7.506 6.449 107 H GLU 18 HN GLU 18 59.027 8.949 4.981 108 HA GLU 18 HA GLU 18 58.498 11.861 4.822 109 1HB GLU 18 HB2 GLU 18 60.715 10.052 5.307 110 2HB GLU 18 HB1 GLU 18 61.142 11.246 4.080 111 1HG GLU 18 HG2 GLU 18 60.060 11.806 6.856 112 2HG GLU 18 HG1 GLU 18 61.680 12.167 6.262 113 H LYS 19 HN LYS 19 57.249 10.134 2.793 114 HA LYS 19 HA LYS 19 58.671 11.174 0.363 115 1HB LYS 19 HB2 LYS 19 58.087 9.094 -0.747 116 2HB LYS 19 HB1 LYS 19 58.870 8.694 0.781 117 1HG LYS 19 HG2 LYS 19 56.461 8.662 1.754 118 2HG LYS 19 HG1 LYS 19 55.951 8.532 0.070 119 1HD LYS 19 HD2 LYS 19 58.144 6.723 0.942 120 2HD LYS 19 HD1 LYS 19 56.534 6.371 1.569 121 1HE LYS 19 HE2 LYS 19 55.704 5.807 -0.510 122 2HE LYS 19 HE1 LYS 19 56.752 6.967 -1.352 123 1HZ LYS 19 HZ1 LYS 19 57.797 4.577 0.058 124 2HZ LYS 19 HZ2 LYS 19 58.628 5.596 -1.019 125 3HZ LYS 19 HZ3 LYS 19 57.405 4.564 -1.593 126 H SER 20 HN SER 20 56.386 9.909 -1.186 127 HA SER 20 HA SER 20 54.349 12.036 -0.618 128 1HB SER 20 HB2 SER 20 55.868 11.845 -2.782 129 2HB SER 20 HB1 SER 20 54.672 10.642 -3.256 130 HG SER 20 HG SER 20 54.470 13.225 -3.484 131 H THR 21 HN THR 21 54.421 8.937 -2.423 132 HA THR 21 HA THR 21 52.107 7.988 -0.792 133 HB THR 21 HB THR 21 52.279 8.513 -3.754 134 HG1 THR 21 HG1 THR 21 50.243 9.409 -3.307 135 1HG2 THR 21 HG21 THR 21 50.177 7.146 -3.985 136 2HG2 THR 21 HG22 THR 21 50.472 6.516 -2.365 137 3HG2 THR 21 HG23 THR 21 51.622 6.188 -3.661 138 H LEU 22 HN LEU 22 51.750 5.629 -1.086 139 HA LEU 22 HA LEU 22 54.293 4.213 -1.802 140 1HB LEU 22 HB2 LEU 22 52.328 4.093 0.364 141 2HB LEU 22 HB1 LEU 22 52.640 2.506 -0.339 142 HG LEU 22 HG LEU 22 55.171 3.348 -0.177 143 1HD1 LEU 22 HD1 LEU 22 54.294 5.562 0.783 144 2HD1 LEU 22 HD1 LEU 22 55.584 4.770 1.689 145 3HD1 LEU 22 HD1 LEU 22 53.915 4.651 2.245 146 1HD2 LEU 22 HD2 LEU 22 54.140 2.519 2.467 147 2HD2 LEU 22 HD2 LEU 22 55.337 1.740 1.433 148 3HD2 LEU 22 HD2 LEU 22 53.617 1.505 1.122 149 H THR 23 HN THR 23 50.962 4.610 -2.612 150 HA THR 23 HA THR 23 49.617 3.594 -4.263 151 HB THR 23 HB THR 23 52.386 2.698 -5.129 152 HG1 THR 23 HG1 THR 23 50.771 4.955 -5.620 153 1HG2 THR 23 HG21 THR 23 49.747 2.765 -6.613 154 2HG2 THR 23 HG22 THR 23 50.701 1.334 -6.223 155 3HG2 THR 23 HG23 THR 23 51.315 2.514 -7.381 156 H ASN 24 HN ASN 24 52.113 1.069 -4.235 157 HA ASN 24 HA ASN 24 50.231 -0.752 -2.790 158 1HB ASN 24 HB2 ASN 24 51.104 -0.766 -5.600 159 2HB ASN 24 HB1 ASN 24 51.327 -2.317 -4.788 160 1HD2 ASN 24 HD2 ASN 24 49.425 -2.454 -6.698 161 2HD2 ASN 24 HD2 ASN 24 47.858 -2.398 -6.049 162 H CYS 25 HN CYS 25 51.803 -0.514 -1.019 163 HA CYS 25 HA CYS 25 54.112 -2.362 -1.315 164 1HB CYS 25 HB2 CYS 25 54.333 0.483 -0.281 165 2HB CYS 25 HB1 CYS 25 55.653 -0.672 -0.448 166 H TYR 26 HN TYR 26 53.788 -3.755 0.387 167 HA TYR 26 HA TYR 26 52.523 -2.740 2.887 168 1HB TYR 26 HB2 TYR 26 52.002 -4.924 1.456 169 2HB TYR 26 HB1 TYR 26 53.340 -5.584 2.395 170 HD1 TYR 26 HD1 TYR 26 53.241 -5.558 4.905 171 HD2 TYR 26 HD2 TYR 26 49.869 -4.523 2.452 172 HE1 TYR 26 HE1 TYR 26 51.731 -5.866 6.849 173 HE2 TYR 26 HE2 TYR 26 48.360 -4.833 4.397 174 HH TYR 26 HH TYR 26 49.174 -6.457 7.111 175 H VAL 27 HN VAL 27 54.241 -1.670 3.953 176 HA VAL 27 HA VAL 27 56.852 -3.053 4.218 177 HB VAL 27 HB VAL 27 55.939 -0.386 5.347 178 1HG1 VAL 27 HG11 VAL 27 58.083 -0.250 6.005 179 2HG1 VAL 27 HG12 VAL 27 58.598 -0.376 4.321 180 3HG1 VAL 27 HG13 VAL 27 58.416 -1.831 5.300 181 1HG2 VAL 27 HG21 VAL 27 57.284 0.162 2.991 182 2HG2 VAL 27 HG22 VAL 27 55.535 0.229 3.203 183 3HG2 VAL 27 HG23 VAL 27 56.289 -1.228 2.557 184 H ASP 28 HN ASP 28 57.823 -3.140 6.461 185 HA ASP 28 HA ASP 28 55.810 -3.367 8.654 186 1HB ASP 28 HB2 ASP 28 56.449 -5.534 7.291 187 2HB ASP 28 HB1 ASP 28 57.927 -5.464 8.252 188 H LYS 29 HN LYS 29 56.619 -2.148 10.341 189 HA LYS 29 HA LYS 29 58.206 -0.862 11.566 190 1HB LYS 29 HB2 LYS 29 58.141 -3.411 12.238 191 2HB LYS 29 HB1 LYS 29 59.770 -3.430 11.560 192 1HG LYS 29 HG2 LYS 29 59.800 -1.144 13.107 193 2HG LYS 29 HG1 LYS 29 58.806 -2.240 14.066 194 1HD LYS 29 HD2 LYS 29 60.520 -3.834 14.261 195 2HD LYS 29 HD1 LYS 29 61.400 -3.193 12.872 196 1HE LYS 29 HE2 LYS 29 61.225 -1.041 14.691 197 2HE LYS 29 HE1 LYS 29 61.665 -2.459 15.662 198 1HZ LYS 29 HZ1 LYS 29 63.186 -2.944 13.615 199 2HZ LYS 29 HZ2 LYS 29 63.702 -1.875 14.830 200 3HZ LYS 29 HZ3 LYS 29 63.071 -1.269 13.374 201 H SER 30 HN SER 30 58.792 0.201 9.328 202 HA SER 30 HA SER 30 61.700 -0.331 8.789 203 1HB SER 30 HB2 SER 30 59.620 0.545 6.773 204 2HB SER 30 HB1 SER 30 61.241 -0.066 6.450 205 HG SER 30 HG SER 30 58.940 -1.432 7.328 206 H GLU 31 HN GLU 31 62.306 1.677 7.154 207 HA GLU 31 HA GLU 31 61.287 4.235 8.293 208 1HB GLU 31 HB2 GLU 31 64.078 3.097 8.418 209 2HB GLU 31 HB1 GLU 31 63.833 4.844 8.415 210 1HG GLU 31 HG2 GLU 31 62.504 4.745 10.414 211 2HG GLU 31 HG1 GLU 31 62.429 2.984 10.349 212 H VAL 32 HN VAL 32 60.472 4.923 6.302 213 HA VAL 32 HA VAL 32 62.298 4.790 3.939 214 HB VAL 32 HB VAL 32 59.303 5.069 4.304 215 1HG1 VAL 32 HG11 VAL 32 60.794 6.062 2.179 216 2HG1 VAL 32 HG12 VAL 32 59.078 5.657 2.137 217 3HG1 VAL 32 HG13 VAL 32 60.277 4.474 1.612 218 1HG2 VAL 32 HG21 VAL 32 59.224 2.831 3.377 219 2HG2 VAL 32 HG22 VAL 32 60.385 2.822 4.708 220 3HG2 VAL 32 HG23 VAL 32 60.956 2.860 3.036 221 H TYR 33 HN TYR 33 62.763 6.671 2.773 222 HA TYR 33 HA TYR 33 61.898 9.260 4.017 223 1HB TYR 33 HB2 TYR 33 64.414 8.161 3.715 224 2HB TYR 33 HB1 TYR 33 64.309 9.215 2.309 225 HD1 TYR 33 HD1 TYR 33 64.364 11.604 2.548 226 HD2 TYR 33 HD2 TYR 33 64.020 9.089 6.013 227 HE1 TYR 33 HE1 TYR 33 64.768 13.564 4.010 228 HE2 TYR 33 HE2 TYR 33 64.424 11.049 7.476 229 HH TYR 33 HH TYR 33 64.302 13.426 7.438 230 H GLY 34 HN GLY 34 63.269 10.489 1.528 231 1HA GLY 34 HA2 GLY 34 60.896 10.785 -0.059 232 2HA GLY 34 HA1 GLY 34 62.510 11.313 -0.536 233 H THR 35 HN THR 35 60.705 8.244 -0.115 234 HA THR 35 HA THR 35 62.231 7.119 -2.432 235 HB THR 35 HB THR 35 60.567 5.874 -0.220 236 HG1 THR 35 HG1 THR 35 62.517 6.654 0.522 237 1HG2 THR 35 HG21 THR 35 60.526 4.014 -1.479 238 2HG2 THR 35 HG22 THR 35 62.290 3.998 -1.466 239 3HG2 THR 35 HG23 THR 35 61.425 4.831 -2.757 240 H THR 36 HN THR 36 61.053 6.050 -4.119 241 HA THR 36 HA THR 36 58.178 6.882 -4.333 242 HB THR 36 HB THR 36 59.470 8.005 -5.983 243 HG1 THR 36 HG1 THR 36 57.659 6.607 -6.735 244 1HG2 THR 36 HG21 THR 36 61.596 7.077 -5.956 245 2HG2 THR 36 HG22 THR 36 60.991 6.442 -7.487 246 3HG2 THR 36 HG23 THR 36 60.987 5.424 -6.046 247 H CYS 37 HN CYS 37 56.836 5.136 -4.090 248 HA CYS 37 HA CYS 37 57.829 2.397 -4.434 249 1HB CYS 37 HB2 CYS 37 55.736 3.800 -3.091 250 2HB CYS 37 HB1 CYS 37 54.991 2.566 -4.108 251 H THR 38 HN THR 38 56.894 0.868 -5.930 252 HA THR 38 HA THR 38 55.065 1.712 -8.040 253 HB THR 38 HB THR 38 57.548 0.972 -9.346 254 HG1 THR 38 HG1 THR 38 58.327 3.265 -8.656 255 1HG2 THR 38 HG21 THR 38 55.434 2.288 -10.131 256 2HG2 THR 38 HG22 THR 38 57.018 2.781 -10.734 257 3HG2 THR 38 HG23 THR 38 56.251 3.683 -9.427 258 H GLY 39 HN GLY 39 55.089 -0.451 -6.201 259 1HA GLY 39 HA2 GLY 39 54.287 -2.707 -6.644 260 2HA GLY 39 HA1 GLY 39 55.293 -2.742 -8.094 261 H SER 40 HN SER 40 55.524 -2.605 -4.532 262 HA SER 40 HA SER 40 57.780 -4.510 -4.637 263 1HB SER 40 HB2 SER 40 59.417 -2.998 -4.147 264 2HB SER 40 HB1 SER 40 58.284 -1.816 -4.795 265 HG SER 40 HG SER 40 57.438 -1.754 -2.563 266 H ARG 41 HN ARG 41 58.594 -4.789 -2.222 267 HA ARG 41 HA ARG 41 56.336 -4.481 -0.289 268 1HB ARG 41 HB2 ARG 41 55.929 -6.656 -1.045 269 2HB ARG 41 HB1 ARG 41 57.632 -6.965 -1.373 270 1HG ARG 41 HG2 ARG 41 56.791 -8.224 0.613 271 2HG ARG 41 HG1 ARG 41 58.107 -7.122 1.015 272 1HD ARG 41 HD2 ARG 41 56.101 -7.065 2.609 273 2HD ARG 41 HD1 ARG 41 56.562 -5.490 1.928 274 HE ARG 41 HE ARG 41 54.612 -5.555 0.553 275 1HH1 ARG 41 HH2 ARG 41 53.975 -7.454 3.071 276 2HH1 ARG 41 HH2 ARG 41 53.000 -8.628 2.253 277 1HH2 ARG 41 HH1 ARG 41 53.882 -7.545 -0.919 278 2HH2 ARG 41 HH1 ARG 41 52.948 -8.680 -0.005 279 H PHE 42 HN PHE 42 57.197 -3.612 1.580 280 HA PHE 42 HA PHE 42 60.129 -3.977 2.058 281 1HB PHE 42 HB2 PHE 42 58.058 -1.916 2.691 282 2HB PHE 42 HB1 PHE 42 59.451 -2.054 3.759 283 HD1 PHE 42 HD1 PHE 42 60.755 -0.164 3.262 284 HD2 PHE 42 HD2 PHE 42 59.265 -2.629 0.076 285 HE1 PHE 42 HE1 PHE 42 62.131 1.107 1.633 286 HE2 PHE 42 HE2 PHE 42 60.644 -1.364 -1.552 287 HZ PHE 42 HZ PHE 42 62.078 0.504 -0.773 288 H ASP 43 HN ASP 43 60.730 -4.145 4.417 289 HA ASP 43 HA ASP 43 58.872 -4.998 6.435 290 1HB ASP 43 HB2 ASP 43 59.007 -6.829 4.489 291 2HB ASP 43 HB1 ASP 43 60.453 -7.313 5.373 292 H GLY 44 HN GLY 44 60.094 -4.201 8.141 293 1HA GLY 44 HA2 GLY 44 61.993 -3.722 9.455 294 2HA GLY 44 HA1 GLY 44 62.487 -5.370 9.045 295 H VAL 45 HN VAL 45 62.324 -2.141 7.515 296 HA VAL 45 HA VAL 45 65.083 -2.580 6.459 297 HB VAL 45 HB VAL 45 62.485 -2.224 4.986 298 1HG1 VAL 45 HG11 VAL 45 63.360 -0.651 3.631 299 2HG1 VAL 45 HG12 VAL 45 64.493 -1.882 3.068 300 3HG1 VAL 45 HG13 VAL 45 64.953 -0.799 4.380 301 1HG2 VAL 45 HG21 VAL 45 64.956 -3.946 4.696 302 2HG2 VAL 45 HG22 VAL 45 63.691 -3.884 3.470 303 3HG2 VAL 45 HG23 VAL 45 63.318 -4.464 5.093 304 H THR 46 HN THR 46 66.256 -0.728 6.796 305 HA THR 46 HA THR 46 64.758 1.824 7.236 306 HB THR 46 HB THR 46 67.554 0.934 8.014 307 HG1 THR 46 HG1 THR 46 65.720 0.001 9.136 308 1HG2 THR 46 HG21 THR 46 67.865 3.197 8.003 309 2HG2 THR 46 HG22 THR 46 67.003 3.108 9.540 310 3HG2 THR 46 HG23 THR 46 66.134 3.533 8.063 311 H ILE 47 HN ILE 47 64.576 2.382 4.997 312 HA ILE 47 HA ILE 47 67.146 2.800 3.520 313 HB ILE 47 HB ILE 47 65.586 2.825 1.556 314 1HG1 ILE 47 HG12 ILE 47 63.302 1.726 2.935 315 2HG1 ILE 47 HG11 ILE 47 63.699 3.306 3.612 316 1HG2 ILE 47 HG21 ILE 47 64.622 0.370 2.283 317 2HG2 ILE 47 HG22 ILE 47 65.935 0.577 3.442 318 3HG2 ILE 47 HG23 ILE 47 66.267 0.655 1.712 319 1HD1 ILE 47 HD1 ILE 47 62.149 3.519 1.693 320 2HD1 ILE 47 HD1 ILE 47 63.326 2.706 0.661 321 3HD1 ILE 47 HD1 ILE 47 63.701 4.285 1.352 322 H THR 48 HN THR 48 67.261 4.865 2.258 323 HA THR 48 HA THR 48 65.829 7.059 3.702 324 HB THR 48 HB THR 48 68.413 6.714 3.681 325 HG1 THR 48 HG1 THR 48 68.122 8.646 4.413 326 1HG2 THR 48 HG21 THR 48 68.284 6.464 1.093 327 2HG2 THR 48 HG22 THR 48 69.605 7.409 1.779 328 3HG2 THR 48 HG23 THR 48 68.200 8.225 1.089 329 H THR 49 HN THR 49 66.603 9.028 1.717 330 HA THR 49 HA THR 49 64.370 8.974 -0.058 331 HB THR 49 HB THR 49 67.017 10.412 -0.407 332 HG1 THR 49 HG1 THR 49 65.889 12.015 0.926 333 1HG2 THR 49 HG21 THR 49 64.393 10.572 -1.641 334 2HG2 THR 49 HG22 THR 49 65.898 11.357 -2.115 335 3HG2 THR 49 HG23 THR 49 64.852 12.109 -0.911 336 H SER 50 HN SER 50 64.707 6.663 -0.893 337 HA SER 50 HA SER 50 66.417 6.745 -3.345 338 1HB SER 50 HB2 SER 50 67.617 4.896 -2.681 339 2HB SER 50 HB1 SER 50 67.213 5.509 -1.080 340 HG SER 50 HG SER 50 66.562 3.417 -1.084 341 H THR 51 HN THR 51 65.839 4.772 -4.775 342 HA THR 51 HA THR 51 62.912 4.157 -4.557 343 HB THR 51 HB THR 51 63.143 5.768 -6.284 344 HG1 THR 51 HG1 THR 51 63.539 3.505 -7.863 345 1HG2 THR 51 HG21 THR 51 65.579 5.794 -6.386 346 2HG2 THR 51 HG22 THR 51 64.927 5.590 -8.012 347 3HG2 THR 51 HG23 THR 51 65.588 4.203 -7.147 348 H SER 52 HN SER 52 63.284 2.027 -3.721 349 HA SER 52 HA SER 52 64.682 0.165 -5.617 350 1HB SER 52 HB2 SER 52 66.055 0.333 -3.698 351 2HB SER 52 HB1 SER 52 64.672 0.411 -2.609 352 HG SER 52 HG SER 52 64.472 -1.707 -2.698 353 H THR 53 HN THR 53 62.290 0.145 -6.422 354 HA THR 53 HA THR 53 60.567 -1.600 -4.716 355 HB THR 53 HB THR 53 58.806 -0.813 -6.306 356 HG1 THR 53 HG1 THR 53 60.735 -0.409 -7.885 357 1HG2 THR 53 HG21 THR 53 60.439 0.888 -4.555 358 2HG2 THR 53 HG22 THR 53 58.686 0.719 -4.642 359 3HG2 THR 53 HG23 THR 53 59.523 1.796 -5.759 360 H GLY 54 HN GLY 54 59.053 -2.930 -6.493 361 1HA GLY 54 HA2 GLY 54 59.059 -4.453 -8.351 362 2HA GLY 54 HA1 GLY 54 60.792 -4.175 -8.539 363 H SER 55 HN SER 55 61.472 -4.601 -5.767 364 HA SER 55 HA SER 55 60.768 -7.487 -5.388 365 1HB SER 55 HB2 SER 55 62.896 -7.972 -5.982 366 2HB SER 55 HB1 SER 55 63.265 -6.260 -6.161 367 HG SER 55 HG SER 55 64.089 -6.227 -4.200 368 H ARG 56 HN ARG 56 61.172 -8.194 -3.109 369 HA ARG 56 HA ARG 56 60.566 -5.986 -1.236 370 1HB ARG 56 HB2 ARG 56 59.876 -7.803 0.232 371 2HB ARG 56 HB1 ARG 56 59.228 -8.107 -1.380 372 1HG ARG 56 HG2 ARG 56 60.649 -9.883 -1.768 373 2HG ARG 56 HG1 ARG 56 61.921 -9.228 -0.737 374 1HD ARG 56 HD2 ARG 56 60.860 -11.228 0.299 375 2HD ARG 56 HD1 ARG 56 60.561 -9.773 1.272 376 HE ARG 56 HE ARG 56 58.277 -9.972 0.722 377 1HH1 ARG 56 HH1 ARG 56 58.922 -12.872 -0.061 378 2HH1 ARG 56 HH1 ARG 56 58.190 -12.952 -1.628 379 1HH2 ARG 56 HH2 ARG 56 57.899 -9.513 -1.962 380 2HH2 ARG 56 HH2 ARG 56 57.610 -11.051 -2.705 381 H ILE 57 HN ILE 57 61.824 -5.624 0.681 382 HA ILE 57 HA ILE 57 64.575 -6.823 0.593 383 HB ILE 57 HB ILE 57 63.587 -4.042 1.259 384 1HG1 ILE 57 HG12 ILE 57 65.245 -5.305 -0.920 385 2HG1 ILE 57 HG11 ILE 57 63.892 -4.184 -1.071 386 1HG2 ILE 57 HG21 ILE 57 66.350 -5.255 1.605 387 2HG2 ILE 57 HG22 ILE 57 65.289 -4.704 2.901 388 3HG2 ILE 57 HG23 ILE 57 65.977 -3.541 1.770 389 1HD1 ILE 57 HD1 ILE 57 66.616 -3.491 0.063 390 2HD1 ILE 57 HD1 ILE 57 65.266 -2.371 -0.137 391 3HD1 ILE 57 HD1 ILE 57 66.052 -3.068 -1.556 392 H SER 58 HN SER 58 65.664 -6.787 2.744 393 HA SER 58 HA SER 58 63.847 -6.734 5.101 394 1HB SER 58 HB2 SER 58 64.435 -9.068 3.697 395 2HB SER 58 HB1 SER 58 65.569 -9.101 5.044 396 HG SER 58 HG SER 58 62.751 -9.028 5.055 397 H GLY 59 HN GLY 59 65.012 -6.317 7.062 398 1HA GLY 59 HA2 GLY 59 67.698 -6.678 7.613 399 2HA GLY 59 HA1 GLY 59 67.674 -5.181 6.683 400 HA PRO 60 HA PRO 60 65.647 -4.595 11.024 401 1HB PRO 60 HB2 PRO 60 67.321 -5.610 12.944 402 2HB PRO 60 HB1 PRO 60 65.956 -6.530 12.278 403 1HG PRO 60 HG2 PRO 60 68.855 -6.698 11.612 404 2HG PRO 60 HG1 PRO 60 67.658 -7.993 11.779 405 1HD PRO 60 HD2 PRO 60 68.490 -7.041 9.371 406 2HD PRO 60 HD1 PRO 60 66.870 -7.723 9.639 407 H GLY 61 HN GLY 61 68.703 -4.404 9.613 408 1HA GLY 61 HA2 GLY 61 69.196 -1.754 10.799 409 2HA GLY 61 HA1 GLY 61 70.483 -2.954 10.981 410 H CYS 62 HN CYS 62 68.364 -2.924 8.191 411 HA CYS 62 HA CYS 62 70.587 -2.837 6.344 412 1HB CYS 62 HB2 CYS 62 68.715 -4.042 5.633 413 2HB CYS 62 HB1 CYS 62 67.583 -2.857 6.277 414 H LYS 63 HN LYS 63 71.203 -1.126 4.971 415 HA LYS 63 HA LYS 63 69.930 1.541 5.408 416 1HB LYS 63 HB2 LYS 63 72.451 0.595 6.392 417 2HB LYS 63 HB1 LYS 63 72.765 1.825 5.166 418 1HG LYS 63 HG2 LYS 63 72.220 3.421 6.652 419 2HG LYS 63 HG1 LYS 63 70.590 2.754 6.747 420 1HD LYS 63 HD2 LYS 63 71.125 1.392 8.596 421 2HD LYS 63 HD1 LYS 63 72.858 1.519 8.300 422 1HE LYS 63 HE2 LYS 63 72.195 4.158 8.652 423 2HE LYS 63 HE1 LYS 63 71.078 3.354 9.776 424 1HZ LYS 63 HZ1 LYS 63 73.532 3.844 10.489 425 2HZ LYS 63 HZ2 LYS 63 73.855 2.416 9.626 426 3HZ LYS 63 HZ3 LYS 63 72.779 2.392 10.941 427 H ILE 64 HN ILE 64 69.147 1.776 3.309 428 HA ILE 64 HA ILE 64 70.908 1.091 1.018 429 HB ILE 64 HB ILE 64 68.312 0.631 1.502 430 1HG1 ILE 64 HG12 ILE 64 69.366 1.416 -1.230 431 2HG1 ILE 64 HG11 ILE 64 69.632 -0.148 -0.457 432 1HG2 ILE 64 HG21 ILE 64 67.771 3.059 1.651 433 2HG2 ILE 64 HG22 ILE 64 66.882 2.247 0.362 434 3HG2 ILE 64 HG23 ILE 64 68.279 3.250 -0.028 435 1HD1 ILE 64 HD1 ILE 64 67.030 1.048 -1.412 436 2HD1 ILE 64 HD1 ILE 64 67.062 -0.273 -0.241 437 3HD1 ILE 64 HD1 ILE 64 67.748 -0.501 -1.852 438 H SER 65 HN SER 65 71.006 2.766 -0.787 439 HA SER 65 HA SER 65 70.726 5.577 0.152 440 1HB SER 65 HB2 SER 65 72.934 5.425 0.744 441 2HB SER 65 HB1 SER 65 73.211 4.018 -0.276 442 HG SER 65 HG SER 65 72.791 6.631 -1.294 443 H THR 66 HN THR 66 69.199 5.994 -1.484 444 HA THR 66 HA THR 66 68.391 6.394 -3.666 445 HB THR 66 HB THR 66 69.998 7.600 -4.999 446 HG1 THR 66 HG1 THR 66 72.265 7.171 -3.691 447 1HG2 THR 66 HG21 THR 66 69.984 7.905 -2.072 448 2HG2 THR 66 HG22 THR 66 69.752 9.115 -3.332 449 3HG2 THR 66 HG23 THR 66 71.382 8.635 -2.860 450 H CYS 67 HN CYS 67 67.651 4.452 -4.510 451 HA CYS 67 HA CYS 67 69.656 2.693 -5.891 452 1HB CYS 67 HB2 CYS 67 67.887 2.131 -3.861 453 2HB CYS 67 HB1 CYS 67 66.950 1.671 -5.281 454 H ILE 68 HN ILE 68 67.211 1.321 -7.092 455 HA ILE 68 HA ILE 68 66.106 3.389 -8.899 456 HB ILE 68 HB ILE 68 68.346 2.786 -9.794 457 1HG1 ILE 68 HG12 ILE 68 66.543 1.419 -11.711 458 2HG1 ILE 68 HG11 ILE 68 66.005 3.011 -11.173 459 1HG2 ILE 68 HG21 ILE 68 69.068 0.650 -9.824 460 2HG2 ILE 68 HG22 ILE 68 67.630 0.122 -10.700 461 3HG2 ILE 68 HG23 ILE 68 67.605 0.213 -8.940 462 1HD1 ILE 68 HD1 ILE 68 68.872 2.708 -11.954 463 2HD1 ILE 68 HD1 ILE 68 67.803 4.099 -12.130 464 3HD1 ILE 68 HD1 ILE 68 67.668 2.737 -13.242 465 H ILE 69 HN ILE 69 64.054 2.778 -9.531 466 HA ILE 69 HA ILE 69 62.695 0.558 -8.448 467 HB ILE 69 HB ILE 69 61.474 2.405 -9.315 468 1HG1 ILE 69 HG12 ILE 69 61.115 0.316 -11.474 469 2HG1 ILE 69 HG11 ILE 69 60.563 0.058 -9.820 470 1HG2 ILE 69 HG21 ILE 69 62.473 3.592 -10.956 471 2HG2 ILE 69 HG22 ILE 69 61.820 2.411 -12.092 472 3HG2 ILE 69 HG23 ILE 69 63.448 2.206 -11.447 473 1HD1 ILE 69 HD1 ILE 69 59.755 2.418 -11.545 474 2HD1 ILE 69 HD1 ILE 69 59.136 2.030 -9.939 475 3HD1 ILE 69 HD1 ILE 69 58.772 0.974 -11.305 476 H THR 70 HN THR 70 63.194 -1.569 -8.811 477 HA THR 70 HA THR 70 63.486 -2.502 -11.621 478 HB THR 70 HB THR 70 65.745 -1.959 -10.809 479 HG1 THR 70 HG1 THR 70 66.590 -4.150 -10.934 480 1HG2 THR 70 HG21 THR 70 65.492 -4.055 -8.680 481 2HG2 THR 70 HG22 THR 70 64.921 -2.419 -8.351 482 3HG2 THR 70 HG23 THR 70 66.610 -2.694 -8.779 483 H GLY 71 HN GLY 71 62.478 -4.480 -11.882 484 1HA GLY 71 HA2 GLY 71 61.027 -5.652 -9.667 485 2HA GLY 71 HA1 GLY 71 61.150 -6.333 -11.292 486 H GLY 72 HN GLY 72 63.276 -5.762 -8.468 487 1HA GLY 72 HA2 GLY 72 64.106 -7.939 -7.407 488 2HA GLY 72 HA1 GLY 72 64.537 -8.410 -9.054 489 H VAL 73 HN VAL 73 65.785 -7.125 -6.264 490 HA VAL 73 HA VAL 73 67.755 -5.350 -7.611 491 HB VAL 73 HB VAL 73 67.246 -6.070 -4.704 492 1HG1 VAL 73 HG11 VAL 73 68.723 -3.658 -5.755 493 2HG1 VAL 73 HG12 VAL 73 69.561 -5.171 -5.416 494 3HG1 VAL 73 HG13 VAL 73 68.724 -4.318 -4.120 495 1HG2 VAL 73 HG21 VAL 73 66.212 -3.773 -4.662 496 2HG2 VAL 73 HG22 VAL 73 65.322 -4.934 -5.647 497 3HG2 VAL 73 HG23 VAL 73 66.357 -3.732 -6.418 498 HA PRO 74 HA PRO 74 70.784 -8.541 -7.736 499 1HB PRO 74 HB2 PRO 74 73.047 -6.993 -7.736 500 2HB PRO 74 HB1 PRO 74 71.992 -7.175 -9.153 501 1HG PRO 74 HG2 PRO 74 72.129 -4.957 -7.169 502 2HG PRO 74 HG1 PRO 74 71.920 -4.887 -8.926 503 1HD PRO 74 HD2 PRO 74 69.859 -4.590 -7.189 504 2HD PRO 74 HD1 PRO 74 69.662 -5.292 -8.808 505 H ALA 75 HN ALA 75 72.332 -9.580 -6.351 506 HA ALA 75 HA ALA 75 71.967 -9.179 -3.531 507 1HB ALA 75 HB1 ALA 75 72.771 -11.281 -3.660 508 2HB ALA 75 HB2 ALA 75 74.349 -10.650 -4.131 509 3HB ALA 75 HB3 ALA 75 73.145 -11.028 -5.365 510 HA PRO 76 HA PRO 76 76.391 -7.372 -3.613 511 1HB PRO 76 HB2 PRO 76 77.462 -6.684 -6.036 512 2HB PRO 76 HB1 PRO 76 77.658 -8.292 -5.311 513 1HG PRO 76 HG2 PRO 76 75.833 -7.403 -7.476 514 2HG PRO 76 HG1 PRO 76 76.681 -8.942 -7.272 515 1HD PRO 76 HD2 PRO 76 74.021 -8.549 -6.724 516 2HD PRO 76 HD1 PRO 76 75.015 -9.832 -5.999 517 H SER 77 HN SER 77 74.639 -6.067 -6.464 518 HA SER 77 HA SER 77 73.715 -3.913 -6.805 519 1HB SER 77 HB2 SER 77 73.122 -4.512 -4.305 520 2HB SER 77 HB1 SER 77 74.347 -3.303 -3.925 521 HG SER 77 HG SER 77 71.864 -2.857 -4.517 522 H ALA 78 HN ALA 78 76.661 -4.478 -7.028 523 HA ALA 78 HA ALA 78 78.400 -2.555 -6.046 524 1HB ALA 78 HB1 ALA 78 79.499 -2.776 -8.311 525 2HB ALA 78 HB2 ALA 78 78.058 -3.625 -8.868 526 3HB ALA 78 HB3 ALA 78 79.053 -4.322 -7.590 527 H ALA 79 HN ALA 79 75.743 -2.115 -8.276 528 HA ALA 79 HA ALA 79 76.510 0.587 -9.112 529 1HB ALA 79 HB1 ALA 79 73.976 0.341 -9.886 530 2HB ALA 79 HB2 ALA 79 74.251 -1.353 -9.475 531 3HB ALA 79 HB3 ALA 79 75.251 -0.567 -10.699 532 H CYS 80 HN CYS 80 73.445 -0.463 -7.628 533 HA CYS 80 HA CYS 80 72.880 2.055 -6.400 534 1HB CYS 80 HB2 CYS 80 71.189 0.391 -6.925 535 2HB CYS 80 HB1 CYS 80 71.971 -0.792 -5.878 536 H LYS 81 HN LYS 81 72.769 2.413 -3.995 537 HA LYS 81 HA LYS 81 75.181 1.257 -2.662 538 1HB LYS 81 HB2 LYS 81 73.503 3.725 -2.100 539 2HB LYS 81 HB1 LYS 81 74.998 3.298 -1.268 540 1HG LYS 81 HG2 LYS 81 74.943 3.532 -4.270 541 2HG LYS 81 HG1 LYS 81 75.124 4.970 -3.266 542 1HD LYS 81 HD2 LYS 81 77.336 4.486 -3.263 543 2HD LYS 81 HD1 LYS 81 76.919 3.207 -2.122 544 1HE LYS 81 HE2 LYS 81 77.143 1.543 -3.703 545 2HE LYS 81 HE1 LYS 81 76.570 2.582 -5.023 546 1HZ LYS 81 HZ1 LYS 81 78.705 3.917 -4.480 547 2HZ LYS 81 HZ2 LYS 81 78.824 2.513 -5.430 548 3HZ LYS 81 HZ3 LYS 81 79.239 2.465 -3.784 549 H ILE 82 HN ILE 82 74.560 -0.531 -1.491 550 HA ILE 82 HA ILE 82 72.190 -0.243 0.325 551 HB ILE 82 HB ILE 82 71.694 -1.716 -1.533 552 1HG1 ILE 82 HG12 ILE 82 71.193 -2.393 0.943 553 2HG1 ILE 82 HG11 ILE 82 70.978 -3.597 -0.325 554 1HG2 ILE 82 HG21 ILE 82 74.271 -3.135 -0.795 555 2HG2 ILE 82 HG22 ILE 82 73.999 -2.162 -2.241 556 3HG2 ILE 82 HG23 ILE 82 73.126 -3.678 -2.022 557 1HD1 ILE 82 HD1 ILE 82 72.569 -3.858 1.966 558 2HD1 ILE 82 HD1 ILE 82 73.720 -3.591 0.658 559 3HD1 ILE 82 HD1 ILE 82 72.571 -4.924 0.563 560 H SER 83 HN SER 83 72.402 -1.521 2.338 561 HA SER 83 HA SER 83 75.106 -2.551 2.989 562 1HB SER 83 HB2 SER 83 73.917 -0.508 4.828 563 2HB SER 83 HB1 SER 83 75.611 -0.887 4.528 564 HG SER 83 HG SER 83 73.954 0.895 3.286 565 H GLY 84 HN GLY 84 74.312 -4.579 3.586 566 1HA GLY 84 HA2 GLY 84 73.350 -6.157 5.037 567 2HA GLY 84 HA1 GLY 84 73.008 -4.829 6.147 568 H CYS 85 HN CYS 85 71.886 -5.615 2.833 569 HA CYS 85 HA CYS 85 69.076 -5.501 3.881 570 1HB CYS 85 HB2 CYS 85 70.129 -4.312 1.296 571 2HB CYS 85 HB1 CYS 85 68.498 -4.144 1.943 572 H THR 86 HN THR 86 67.591 -6.847 2.722 573 HA THR 86 HA THR 86 68.901 -8.956 1.052 574 HB THR 86 HB THR 86 66.190 -9.529 1.852 575 HG1 THR 86 HG1 THR 86 67.905 -8.942 4.015 576 1HG2 THR 86 HG21 THR 86 68.794 -10.633 2.931 577 2HG2 THR 86 HG22 THR 86 68.101 -11.110 1.381 578 3HG2 THR 86 HG23 THR 86 67.229 -11.445 2.877 579 H PHE 87 HN PHE 87 67.532 -9.790 -0.789 580 HA PHE 87 HA PHE 87 65.686 -7.707 -1.901 581 1HB PHE 87 HB2 PHE 87 67.736 -9.211 -3.535 582 2HB PHE 87 HB1 PHE 87 66.868 -7.741 -3.966 583 HD1 PHE 87 HD1 PHE 87 67.139 -5.971 -1.725 584 HD2 PHE 87 HD2 PHE 87 70.010 -8.749 -3.308 585 HE1 PHE 87 HE1 PHE 87 68.982 -4.609 -0.780 586 HE2 PHE 87 HE2 PHE 87 71.851 -7.386 -2.361 587 HZ PHE 87 HZ PHE 87 71.339 -5.316 -1.097 588 H SER 88 HN SER 88 64.365 -8.626 -3.742 589 HA SER 88 HA SER 88 64.140 -11.335 -4.451 590 1HB SER 88 HB2 SER 88 63.826 -12.035 -2.238 591 2HB SER 88 HB1 SER 88 62.953 -10.571 -1.798 592 HG SER 88 HG SER 88 61.885 -12.827 -2.376 593 H ALA 89 HN ALA 89 63.004 -10.919 -6.320 594 HA ALA 89 HA ALA 89 61.378 -8.781 -6.977 595 1HB ALA 89 HB1 ALA 89 60.320 -11.345 -7.935 596 2HB ALA 89 HB2 ALA 89 62.079 -11.248 -8.042 597 3HB ALA 89 HB3 ALA 89 61.077 -10.038 -8.845 598 H ASN 90 HN ASN 90 59.331 -8.093 -6.415 599 HA ASN 90 HA ASN 90 57.654 -9.945 -4.751 600 1HB ASN 90 HB2 ASN 90 58.493 -8.280 -3.295 601 2HB ASN 90 HB1 ASN 90 58.361 -7.019 -4.522 602 1HD2 ASN 90 HD2 ASN 90 56.397 -5.848 -4.622 603 2HD2 ASN 90 HD2 ASN 90 55.036 -6.205 -3.673 Start of MODEL 16 1 1H ASP 1 HT1 ASP 1 48.332 9.664 1.361 2 2H ASP 1 HT2 ASP 1 47.248 8.648 2.186 3 3H ASP 1 HT3 ASP 1 48.249 9.710 3.055 4 HA ASP 1 HA ASP 1 47.097 11.620 2.072 5 1HB ASP 1 HB2 ASP 1 46.149 9.371 0.447 6 2HB ASP 1 HB1 ASP 1 44.843 10.440 0.959 7 H GLY 2 HN GLY 2 47.186 10.133 4.545 8 1HA GLY 2 HA2 GLY 2 44.628 10.941 5.669 9 2HA GLY 2 HA1 GLY 2 44.819 9.187 5.629 10 H SER 3 HN SER 3 46.559 8.237 6.866 11 HA SER 3 HA SER 3 47.118 9.669 9.350 12 1HB SER 3 HB2 SER 3 48.203 7.520 9.923 13 2HB SER 3 HB1 SER 3 46.617 7.252 9.205 14 HG SER 3 HG SER 3 48.074 5.901 8.197 15 H CYS 4 HN CYS 4 48.712 9.299 6.304 16 HA CYS 4 HA CYS 4 50.803 11.132 6.890 17 1HB CYS 4 HB2 CYS 4 51.092 8.563 8.068 18 2HB CYS 4 HB1 CYS 4 52.278 8.665 6.776 19 H THR 5 HN THR 5 51.342 7.970 5.344 20 HA THR 5 HA THR 5 51.001 9.209 2.656 21 HB THR 5 HB THR 5 53.383 9.433 3.627 22 HG1 THR 5 HG1 THR 5 54.034 9.389 1.621 23 1HG2 THR 5 HG21 THR 5 53.353 6.458 3.032 24 2HG2 THR 5 HG22 THR 5 53.484 7.180 4.635 25 3HG2 THR 5 HG23 THR 5 54.779 7.404 3.458 26 H ASN 6 HN ASN 6 49.643 7.069 4.297 27 HA ASN 6 HA ASN 6 50.273 4.630 2.704 28 1HB ASN 6 HB2 ASN 6 48.349 4.938 5.018 29 2HB ASN 6 HB1 ASN 6 49.164 3.472 4.471 30 1HD2 ASN 6 HD2 ASN 6 51.803 4.690 4.125 31 2HD2 ASN 6 HD2 ASN 6 52.395 5.046 5.676 32 H THR 7 HN THR 7 49.233 5.666 0.753 33 HA THR 7 HA THR 7 46.266 5.887 0.909 34 HB THR 7 HB THR 7 47.489 7.702 -0.162 35 HG1 THR 7 HG1 THR 7 45.555 6.528 -1.210 36 1HG2 THR 7 HG21 THR 7 49.093 5.505 -1.140 37 2HG2 THR 7 HG22 THR 7 49.462 7.229 -1.130 38 3HG2 THR 7 HG23 THR 7 48.572 6.526 -2.481 39 H ASN 8 HN ASN 8 45.411 3.814 0.784 40 HA ASN 8 HA ASN 8 44.859 1.730 -0.188 41 1HB ASN 8 HB2 ASN 8 46.307 2.895 -2.588 42 2HB ASN 8 HB1 ASN 8 45.038 1.671 -2.602 43 1HD2 ASN 8 HD2 ASN 8 43.150 2.768 -0.846 44 2HD2 ASN 8 HD2 ASN 8 42.580 4.242 -1.465 45 H SER 9 HN SER 9 47.768 2.559 0.823 46 HA SER 9 HA SER 9 49.068 0.012 -0.082 47 1HB SER 9 HB2 SER 9 50.336 1.621 -1.176 48 2HB SER 9 HB1 SER 9 49.990 2.857 0.027 49 HG SER 9 HG SER 9 51.549 2.076 1.298 50 H GLN 10 HN GLN 10 51.240 0.026 1.616 51 HA GLN 10 HA GLN 10 50.183 0.453 4.375 52 1HB GLN 10 HB2 GLN 10 50.012 -1.954 3.057 53 2HB GLN 10 HB1 GLN 10 51.551 -2.120 3.903 54 1HG GLN 10 HG2 GLN 10 49.267 -1.002 5.458 55 2HG GLN 10 HG1 GLN 10 49.212 -2.723 5.074 56 1HE2 GLN 10 HE21 GLN 10 51.479 -3.867 5.519 57 2HE2 GLN 10 HE22 GLN 10 52.234 -3.431 6.975 58 H LEU 11 HN LEU 11 51.780 1.681 5.319 59 HA LEU 11 HA LEU 11 54.638 1.102 4.611 60 1HB LEU 11 HB2 LEU 11 53.587 3.394 4.208 61 2HB LEU 11 HB1 LEU 11 53.449 3.539 5.963 62 HG LEU 11 HG LEU 11 56.021 2.851 5.862 63 1HD1 LEU 11 HD1 LEU 11 56.448 2.581 3.591 64 2HD1 LEU 11 HD1 LEU 11 56.899 4.271 3.820 65 3HD1 LEU 11 HD1 LEU 11 55.331 3.863 3.123 66 1HD2 LEU 11 HD2 LEU 11 55.972 5.625 5.140 67 2HD2 LEU 11 HD2 LEU 11 56.127 4.920 6.750 68 3HD2 LEU 11 HD2 LEU 11 54.528 5.274 6.092 69 H SER 12 HN SER 12 52.709 -0.143 6.730 70 HA SER 12 HA SER 12 52.898 -0.868 8.976 71 1HB SER 12 HB2 SER 12 55.139 -1.454 7.812 72 2HB SER 12 HB1 SER 12 55.796 -0.061 8.662 73 HG SER 12 HG SER 12 54.565 -1.260 10.518 74 H ALA 13 HN ALA 13 51.751 0.759 10.098 75 HA ALA 13 HA ALA 13 52.251 3.430 10.493 76 1HB ALA 13 HB1 ALA 13 50.654 1.481 11.596 77 2HB ALA 13 HB2 ALA 13 50.663 3.170 12.106 78 3HB ALA 13 HB3 ALA 13 51.624 1.980 12.982 79 H ASN 14 HN ASN 14 54.144 0.779 11.810 80 HA ASN 14 HA ASN 14 55.564 2.432 13.762 81 1HB ASN 14 HB2 ASN 14 55.567 -0.371 12.740 82 2HB ASN 14 HB1 ASN 14 57.033 0.196 13.539 83 1HD2 ASN 14 HD2 ASN 14 56.159 -1.598 15.136 84 2HD2 ASN 14 HD2 ASN 14 55.129 -1.048 16.369 85 H SER 15 HN SER 15 55.688 2.469 10.448 86 HA SER 15 HA SER 15 58.655 2.699 10.322 87 1HB SER 15 HB2 SER 15 58.387 1.866 8.226 88 2HB SER 15 HB1 SER 15 56.718 1.550 8.697 89 HG SER 15 HG SER 15 57.608 3.219 6.860 90 H LYS 16 HN LYS 16 58.750 4.491 8.102 91 HA LYS 16 HA LYS 16 57.819 7.017 9.429 92 1HB LYS 16 HB2 LYS 16 60.310 6.135 8.031 93 2HB LYS 16 HB1 LYS 16 59.847 7.832 7.890 94 1HG LYS 16 HG2 LYS 16 59.468 7.213 10.598 95 2HG LYS 16 HG1 LYS 16 60.988 6.430 10.165 96 1HD LYS 16 HD2 LYS 16 62.057 8.415 9.774 97 2HD LYS 16 HD1 LYS 16 60.606 9.187 9.133 98 1HE LYS 16 HE2 LYS 16 61.212 10.217 11.288 99 2HE LYS 16 HE1 LYS 16 59.696 9.310 11.473 100 1HZ LYS 16 HZ1 LYS 16 62.299 7.982 11.885 101 2HZ LYS 16 HZ2 LYS 16 60.770 7.542 12.480 102 3HZ LYS 16 HZ3 LYS 16 61.591 8.874 13.143 103 H CYS 17 HN CYS 17 56.522 8.353 8.229 104 HA CYS 17 HA CYS 17 55.871 7.532 5.441 105 1HB CYS 17 HB2 CYS 17 53.892 8.973 5.852 106 2HB CYS 17 HB1 CYS 17 54.079 7.759 7.117 107 H GLU 18 HN GLU 18 57.997 8.510 4.711 108 HA GLU 18 HA GLU 18 58.030 11.492 4.735 109 1HB GLU 18 HB2 GLU 18 60.009 9.319 4.023 110 2HB GLU 18 HB1 GLU 18 60.360 11.038 3.833 111 1HG GLU 18 HG2 GLU 18 59.415 9.881 6.460 112 2HG GLU 18 HG1 GLU 18 61.125 9.942 6.031 113 H LYS 19 HN LYS 19 55.998 10.520 3.120 114 HA LYS 19 HA LYS 19 55.185 10.676 0.906 115 1HB LYS 19 HB2 LYS 19 57.228 12.594 1.344 116 2HB LYS 19 HB1 LYS 19 57.505 11.928 -0.266 117 1HG LYS 19 HG2 LYS 19 54.861 12.232 -0.447 118 2HG LYS 19 HG1 LYS 19 55.166 13.471 0.770 119 1HD LYS 19 HD2 LYS 19 56.368 13.275 -2.000 120 2HD LYS 19 HD1 LYS 19 55.341 14.559 -1.362 121 1HE LYS 19 HE2 LYS 19 58.151 13.887 -0.413 122 2HE LYS 19 HE1 LYS 19 57.665 15.328 -1.329 123 1HZ LYS 19 HZ1 LYS 19 57.702 15.791 1.048 124 2HZ LYS 19 HZ2 LYS 19 56.606 14.524 1.331 125 3HZ LYS 19 HZ3 LYS 19 56.120 15.890 0.445 126 H SER 20 HN SER 20 55.298 8.429 0.379 127 HA SER 20 HA SER 20 57.047 7.685 -1.770 128 1HB SER 20 HB2 SER 20 58.061 5.852 0.027 129 2HB SER 20 HB1 SER 20 58.894 7.312 -0.498 130 HG SER 20 HG SER 20 58.653 8.061 1.442 131 H THR 21 HN THR 21 54.462 7.327 -1.868 132 HA THR 21 HA THR 21 54.070 4.401 -1.491 133 HB THR 21 HB THR 21 52.259 6.605 -0.451 134 HG1 THR 21 HG1 THR 21 54.106 6.099 0.820 135 1HG2 THR 21 HG21 THR 21 50.966 4.719 -1.353 136 2HG2 THR 21 HG22 THR 21 50.871 4.748 0.408 137 3HG2 THR 21 HG23 THR 21 51.930 3.591 -0.401 138 H LEU 22 HN LEU 22 52.858 3.522 -3.160 139 HA LEU 22 HA LEU 22 51.419 5.409 -4.988 140 1HB LEU 22 HB2 LEU 22 53.845 4.496 -5.576 141 2HB LEU 22 HB1 LEU 22 52.945 3.051 -6.040 142 HG LEU 22 HG LEU 22 51.409 4.904 -7.244 143 1HD1 LEU 22 HD1 LEU 22 52.622 6.766 -8.034 144 2HD1 LEU 22 HD1 LEU 22 54.176 6.047 -7.611 145 3HD1 LEU 22 HD1 LEU 22 53.108 6.650 -6.343 146 1HD2 LEU 22 HD2 LEU 22 52.803 2.878 -8.136 147 2HD2 LEU 22 HD2 LEU 22 53.988 4.106 -8.581 148 3HD2 LEU 22 HD2 LEU 22 52.361 4.163 -9.260 149 H THR 23 HN THR 23 50.251 3.761 -2.944 150 HA THR 23 HA THR 23 48.478 2.223 -2.697 151 HB THR 23 HB THR 23 48.421 2.494 -5.720 152 HG1 THR 23 HG1 THR 23 48.320 4.517 -4.845 153 1HG2 THR 23 HG21 THR 23 46.539 1.270 -5.638 154 2HG2 THR 23 HG22 THR 23 45.869 2.317 -4.387 155 3HG2 THR 23 HG23 THR 23 46.878 0.944 -3.937 156 H ASN 24 HN ASN 24 51.338 1.318 -3.341 157 HA ASN 24 HA ASN 24 50.665 -1.529 -3.730 158 1HB ASN 24 HB2 ASN 24 51.575 0.226 -5.845 159 2HB ASN 24 HB1 ASN 24 52.762 -1.049 -5.562 160 1HD2 ASN 24 HD2 ASN 24 49.261 -0.547 -6.196 161 2HD2 ASN 24 HD2 ASN 24 49.017 -2.069 -6.908 162 H CYS 25 HN CYS 25 51.706 -0.438 -1.423 163 HA CYS 25 HA CYS 25 54.483 -1.538 -1.419 164 1HB CYS 25 HB2 CYS 25 53.744 1.078 -0.093 165 2HB CYS 25 HB1 CYS 25 55.356 0.428 -0.390 166 H TYR 26 HN TYR 26 54.179 -3.202 -0.009 167 HA TYR 26 HA TYR 26 52.572 -2.748 2.471 168 1HB TYR 26 HB2 TYR 26 53.502 -5.143 0.877 169 2HB TYR 26 HB1 TYR 26 52.902 -5.332 2.524 170 HD1 TYR 26 HD1 TYR 26 52.002 -4.921 -0.935 171 HD2 TYR 26 HD2 TYR 26 50.588 -4.372 3.084 172 HE1 TYR 26 HE1 TYR 26 49.670 -4.817 -1.770 173 HE2 TYR 26 HE2 TYR 26 48.255 -4.268 2.249 174 HH TYR 26 HH TYR 26 47.121 -3.662 0.039 175 H VAL 27 HN VAL 27 54.145 -1.672 3.779 176 HA VAL 27 HA VAL 27 56.796 -3.007 4.092 177 HB VAL 27 HB VAL 27 55.837 -0.354 5.195 178 1HG1 VAL 27 HG11 VAL 27 58.342 -1.822 5.134 179 2HG1 VAL 27 HG12 VAL 27 57.924 -0.364 6.033 180 3HG1 VAL 27 HG13 VAL 27 58.515 -0.241 4.373 181 1HG2 VAL 27 HG21 VAL 27 57.381 0.016 2.834 182 2HG2 VAL 27 HG22 VAL 27 55.692 0.451 3.097 183 3HG2 VAL 27 HG23 VAL 27 56.104 -1.134 2.441 184 H ASP 28 HN ASP 28 57.671 -3.020 6.375 185 HA ASP 28 HA ASP 28 55.642 -3.182 8.537 186 1HB ASP 28 HB2 ASP 28 56.152 -5.400 7.122 187 2HB ASP 28 HB1 ASP 28 57.533 -5.478 8.216 188 H LYS 29 HN LYS 29 56.595 -1.891 10.090 189 HA LYS 29 HA LYS 29 58.289 -0.888 11.412 190 1HB LYS 29 HB2 LYS 29 58.141 -3.266 12.203 191 2HB LYS 29 HB1 LYS 29 59.433 -3.681 11.078 192 1HG LYS 29 HG2 LYS 29 60.968 -3.007 12.576 193 2HG LYS 29 HG1 LYS 29 60.263 -1.391 12.578 194 1HD LYS 29 HD2 LYS 29 59.033 -1.777 14.479 195 2HD LYS 29 HD1 LYS 29 58.813 -3.489 14.116 196 1HE LYS 29 HE2 LYS 29 61.627 -2.829 14.580 197 2HE LYS 29 HE1 LYS 29 60.604 -2.464 15.984 198 1HZ LYS 29 HZ1 LYS 29 61.464 -4.913 15.452 199 2HZ LYS 29 HZ2 LYS 29 60.026 -4.932 14.546 200 3HZ LYS 29 HZ3 LYS 29 59.979 -4.612 16.214 201 H SER 30 HN SER 30 58.780 0.243 9.167 202 HA SER 30 HA SER 30 61.656 -0.297 8.494 203 1HB SER 30 HB2 SER 30 59.566 0.617 6.517 204 2HB SER 30 HB1 SER 30 61.125 -0.141 6.189 205 HG SER 30 HG SER 30 60.301 -2.053 7.127 206 H GLU 31 HN GLU 31 62.257 1.721 6.899 207 HA GLU 31 HA GLU 31 61.212 4.258 8.076 208 1HB GLU 31 HB2 GLU 31 63.242 3.528 9.317 209 2HB GLU 31 HB1 GLU 31 64.132 3.464 7.797 210 1HG GLU 31 HG2 GLU 31 63.856 5.842 7.455 211 2HG GLU 31 HG1 GLU 31 62.779 5.961 8.848 212 H VAL 32 HN VAL 32 60.277 4.934 6.147 213 HA VAL 32 HA VAL 32 61.878 4.771 3.646 214 HB VAL 32 HB VAL 32 58.983 5.343 4.331 215 1HG1 VAL 32 HG11 VAL 32 60.311 5.140 1.612 216 2HG1 VAL 32 HG12 VAL 32 59.630 6.606 2.321 217 3HG1 VAL 32 HG13 VAL 32 58.573 5.260 1.895 218 1HG2 VAL 32 HG21 VAL 32 58.634 3.154 3.204 219 2HG2 VAL 32 HG22 VAL 32 59.698 3.001 4.606 220 3HG2 VAL 32 HG23 VAL 32 60.378 3.007 2.975 221 H TYR 33 HN TYR 33 62.645 6.594 2.636 222 HA TYR 33 HA TYR 33 61.763 9.280 3.613 223 1HB TYR 33 HB2 TYR 33 64.025 8.157 4.502 224 2HB TYR 33 HB1 TYR 33 64.638 8.787 2.971 225 HD1 TYR 33 HD1 TYR 33 64.948 9.630 6.118 226 HD2 TYR 33 HD2 TYR 33 62.970 11.223 2.654 227 HE1 TYR 33 HE1 TYR 33 65.075 11.906 7.092 228 HE2 TYR 33 HE2 TYR 33 63.096 13.499 3.630 229 HH TYR 33 HH TYR 33 64.427 14.721 5.271 230 H GLY 34 HN GLY 34 61.112 10.439 1.843 231 1HA GLY 34 HA2 GLY 34 60.783 10.935 -0.449 232 2HA GLY 34 HA1 GLY 34 62.536 11.120 -0.401 233 H THR 35 HN THR 35 60.494 8.198 -0.138 234 HA THR 35 HA THR 35 62.177 6.953 -2.272 235 HB THR 35 HB THR 35 60.367 5.909 -0.080 236 HG1 THR 35 HG1 THR 35 63.129 5.998 -0.596 237 1HG2 THR 35 HG21 THR 35 60.032 4.403 -1.906 238 2HG2 THR 35 HG22 THR 35 61.233 3.643 -0.861 239 3HG2 THR 35 HG23 THR 35 61.740 4.449 -2.345 240 H THR 36 HN THR 36 60.962 5.455 -3.769 241 HA THR 36 HA THR 36 58.171 6.384 -4.331 242 HB THR 36 HB THR 36 59.515 7.642 -5.829 243 HG1 THR 36 HG1 THR 36 58.896 5.215 -7.161 244 1HG2 THR 36 HG21 THR 36 61.330 6.427 -7.191 245 2HG2 THR 36 HG22 THR 36 61.168 5.120 -6.017 246 3HG2 THR 36 HG23 THR 36 61.677 6.724 -5.487 247 H CYS 37 HN CYS 37 57.410 4.316 -3.509 248 HA CYS 37 HA CYS 37 58.398 1.879 -4.897 249 1HB CYS 37 HB2 CYS 37 57.086 0.742 -3.121 250 2HB CYS 37 HB1 CYS 37 58.213 1.914 -2.442 251 H THR 38 HN THR 38 57.395 2.003 -6.955 252 HA THR 38 HA THR 38 54.544 2.595 -7.240 253 HB THR 38 HB THR 38 55.040 2.048 -9.608 254 HG1 THR 38 HG1 THR 38 57.652 1.439 -8.723 255 1HG2 THR 38 HG21 THR 38 56.162 4.001 -9.913 256 2HG2 THR 38 HG22 THR 38 57.503 3.500 -8.882 257 3HG2 THR 38 HG23 THR 38 56.028 4.147 -8.161 258 H GLY 39 HN GLY 39 56.565 -0.255 -6.909 259 1HA GLY 39 HA2 GLY 39 54.254 -1.931 -6.358 260 2HA GLY 39 HA1 GLY 39 55.018 -2.324 -7.901 261 H SER 40 HN SER 40 55.919 -1.733 -4.488 262 HA SER 40 HA SER 40 57.825 -4.035 -4.708 263 1HB SER 40 HB2 SER 40 59.524 -2.696 -3.655 264 2HB SER 40 HB1 SER 40 58.856 -1.718 -4.959 265 HG SER 40 HG SER 40 58.635 -0.342 -3.357 266 H ARG 41 HN ARG 41 58.591 -4.602 -2.357 267 HA ARG 41 HA ARG 41 56.377 -4.169 -0.388 268 1HB ARG 41 HB2 ARG 41 56.251 -6.338 -1.748 269 2HB ARG 41 HB1 ARG 41 57.734 -6.824 -0.924 270 1HG ARG 41 HG2 ARG 41 55.166 -6.023 0.477 271 2HG ARG 41 HG1 ARG 41 55.694 -7.686 0.218 272 1HD ARG 41 HD2 ARG 41 57.918 -6.830 1.387 273 2HD ARG 41 HD1 ARG 41 56.825 -5.609 2.069 274 HE ARG 41 HE ARG 41 56.640 -8.537 2.513 275 1HH1 ARG 41 HH1 ARG 41 56.363 -5.648 4.048 276 2HH1 ARG 41 HH1 ARG 41 54.827 -5.949 4.790 277 1HH2 ARG 41 HH2 ARG 41 54.203 -8.821 2.951 278 2HH2 ARG 41 HH2 ARG 41 53.605 -7.745 4.170 279 H PHE 42 HN PHE 42 57.269 -3.425 1.493 280 HA PHE 42 HA PHE 42 60.181 -3.890 1.971 281 1HB PHE 42 HB2 PHE 42 58.095 -1.920 2.864 282 2HB PHE 42 HB1 PHE 42 59.582 -2.096 3.788 283 HD1 PHE 42 HD1 PHE 42 60.685 -0.057 3.332 284 HD2 PHE 42 HD2 PHE 42 59.183 -2.443 0.091 285 HE1 PHE 42 HE1 PHE 42 61.863 1.402 1.709 286 HE2 PHE 42 HE2 PHE 42 60.370 -0.992 -1.533 287 HZ PHE 42 HZ PHE 42 61.710 0.930 -0.722 288 H ASP 43 HN ASP 43 60.773 -4.209 4.327 289 HA ASP 43 HA ASP 43 58.880 -5.283 6.230 290 1HB ASP 43 HB2 ASP 43 59.353 -6.974 4.159 291 2HB ASP 43 HB1 ASP 43 60.686 -7.428 5.222 292 H GLY 44 HN GLY 44 59.982 -4.350 7.966 293 1HA GLY 44 HA2 GLY 44 61.799 -3.769 9.359 294 2HA GLY 44 HA1 GLY 44 62.370 -5.408 9.009 295 H VAL 45 HN VAL 45 62.197 -2.185 7.473 296 HA VAL 45 HA VAL 45 64.982 -2.597 6.474 297 HB VAL 45 HB VAL 45 62.408 -2.268 4.960 298 1HG1 VAL 45 HG11 VAL 45 64.862 -0.792 4.400 299 2HG1 VAL 45 HG12 VAL 45 63.268 -0.645 3.654 300 3HG1 VAL 45 HG13 VAL 45 64.412 -1.854 3.067 301 1HG2 VAL 45 HG21 VAL 45 63.486 -3.951 3.508 302 2HG2 VAL 45 HG22 VAL 45 63.448 -4.485 5.189 303 3HG2 VAL 45 HG23 VAL 45 64.944 -3.861 4.496 304 H THR 46 HN THR 46 66.153 -0.729 6.696 305 HA THR 46 HA THR 46 64.653 1.808 7.211 306 HB THR 46 HB THR 46 67.351 0.725 8.041 307 HG1 THR 46 HG1 THR 46 66.385 1.443 10.100 308 1HG2 THR 46 HG21 THR 46 68.174 2.819 7.982 309 2HG2 THR 46 HG22 THR 46 66.987 3.250 9.213 310 3HG2 THR 46 HG23 THR 46 66.606 3.474 7.505 311 H ILE 47 HN ILE 47 64.441 2.537 5.053 312 HA ILE 47 HA ILE 47 66.988 2.883 3.506 313 HB ILE 47 HB ILE 47 65.461 2.846 1.555 314 1HG1 ILE 47 HG12 ILE 47 63.092 1.968 2.974 315 2HG1 ILE 47 HG11 ILE 47 63.567 3.582 3.500 316 1HG2 ILE 47 HG21 ILE 47 65.963 0.641 1.806 317 2HG2 ILE 47 HG22 ILE 47 64.315 0.498 2.418 318 3HG2 ILE 47 HG23 ILE 47 65.661 0.680 3.542 319 1HD1 ILE 47 HD1 ILE 47 63.446 4.461 1.304 320 2HD1 ILE 47 HD1 ILE 47 62.019 3.434 1.442 321 3HD1 ILE 47 HD1 ILE 47 63.442 2.856 0.574 322 H THR 48 HN THR 48 66.714 4.880 1.929 323 HA THR 48 HA THR 48 65.311 7.109 3.339 324 HB THR 48 HB THR 48 67.858 6.758 3.796 325 HG1 THR 48 HG1 THR 48 67.619 8.725 4.428 326 1HG2 THR 48 HG21 THR 48 68.389 8.434 1.430 327 2HG2 THR 48 HG22 THR 48 67.999 6.755 1.064 328 3HG2 THR 48 HG23 THR 48 69.352 7.134 2.129 329 H THR 49 HN THR 49 66.615 9.008 1.439 330 HA THR 49 HA THR 49 64.659 9.065 -0.631 331 HB THR 49 HB THR 49 67.439 10.232 -0.819 332 HG1 THR 49 HG1 THR 49 65.276 11.185 0.747 333 1HG2 THR 49 HG21 THR 49 66.158 10.847 -2.688 334 2HG2 THR 49 HG22 THR 49 65.925 12.204 -1.585 335 3HG2 THR 49 HG23 THR 49 64.673 10.972 -1.744 336 H SER 50 HN SER 50 64.780 6.759 -1.380 337 HA SER 50 HA SER 50 66.841 6.482 -3.526 338 1HB SER 50 HB2 SER 50 66.000 4.173 -1.783 339 2HB SER 50 HB1 SER 50 67.462 4.342 -2.752 340 HG SER 50 HG SER 50 66.878 5.250 -0.211 341 H THR 51 HN THR 51 66.054 5.489 -5.390 342 HA THR 51 HA THR 51 63.122 5.100 -5.537 343 HB THR 51 HB THR 51 63.851 4.823 -8.028 344 HG1 THR 51 HG1 THR 51 66.004 6.155 -7.993 345 1HG2 THR 51 HG21 THR 51 64.725 7.504 -7.299 346 2HG2 THR 51 HG22 THR 51 63.272 7.026 -6.421 347 3HG2 THR 51 HG23 THR 51 63.285 6.999 -8.184 348 H SER 52 HN SER 52 64.126 3.092 -3.983 349 HA SER 52 HA SER 52 64.731 0.756 -5.715 350 1HB SER 52 HB2 SER 52 66.098 0.889 -3.795 351 2HB SER 52 HB1 SER 52 64.761 1.404 -2.770 352 HG SER 52 HG SER 52 64.495 -0.624 -2.334 353 H THR 53 HN THR 53 63.060 -0.496 -6.420 354 HA THR 53 HA THR 53 60.912 -1.353 -4.683 355 HB THR 53 HB THR 53 59.852 0.698 -4.923 356 HG1 THR 53 HG1 THR 53 59.089 -0.369 -7.414 357 1HG2 THR 53 HG21 THR 53 59.966 1.679 -7.475 358 2HG2 THR 53 HG22 THR 53 61.538 0.889 -7.338 359 3HG2 THR 53 HG23 THR 53 61.076 2.141 -6.183 360 H GLY 54 HN GLY 54 60.076 -3.232 -5.523 361 1HA GLY 54 HA2 GLY 54 59.255 -4.100 -7.899 362 2HA GLY 54 HA1 GLY 54 60.990 -4.044 -8.224 363 H SER 55 HN SER 55 61.614 -4.745 -5.399 364 HA SER 55 HA SER 55 60.753 -7.617 -5.394 365 1HB SER 55 HB2 SER 55 63.294 -7.643 -4.389 366 2HB SER 55 HB1 SER 55 62.913 -7.918 -6.086 367 HG SER 55 HG SER 55 63.427 -5.380 -4.916 368 H ARG 56 HN ARG 56 61.524 -8.569 -3.113 369 HA ARG 56 HA ARG 56 60.381 -6.759 -1.053 370 1HB ARG 56 HB2 ARG 56 60.105 -8.817 0.195 371 2HB ARG 56 HB1 ARG 56 59.619 -9.136 -1.469 372 1HG ARG 56 HG2 ARG 56 61.728 -10.199 -1.959 373 2HG ARG 56 HG1 ARG 56 62.398 -9.702 -0.405 374 1HD ARG 56 HD2 ARG 56 60.031 -11.075 0.245 375 2HD ARG 56 HD1 ARG 56 60.808 -12.050 -1.017 376 HE ARG 56 HE ARG 56 62.832 -11.175 0.780 377 1HH1 ARG 56 HH1 ARG 56 62.325 -14.037 -0.064 378 2HH1 ARG 56 HH1 ARG 56 61.917 -14.777 1.448 379 1HH2 ARG 56 HH2 ARG 56 61.328 -11.766 3.065 380 2HH2 ARG 56 HH2 ARG 56 61.353 -13.491 3.219 381 H ILE 57 HN ILE 57 61.607 -5.960 0.659 382 HA ILE 57 HA ILE 57 64.517 -6.697 0.674 383 HB ILE 57 HB ILE 57 63.050 -4.149 1.404 384 1HG1 ILE 57 HG12 ILE 57 64.485 -5.173 -0.984 385 2HG1 ILE 57 HG11 ILE 57 63.230 -3.942 -0.874 386 1HG2 ILE 57 HG21 ILE 57 65.096 -4.792 2.832 387 2HG2 ILE 57 HG22 ILE 57 65.147 -3.220 2.046 388 3HG2 ILE 57 HG23 ILE 57 66.044 -4.576 1.364 389 1HD1 ILE 57 HD1 ILE 57 64.858 -2.297 -0.095 390 2HD1 ILE 57 HD1 ILE 57 65.434 -3.013 -1.601 391 3HD1 ILE 57 HD1 ILE 57 66.119 -3.528 -0.058 392 H SER 58 HN SER 58 65.546 -6.804 2.761 393 HA SER 58 HA SER 58 63.774 -6.820 5.151 394 1HB SER 58 HB2 SER 58 65.554 -9.187 4.640 395 2HB SER 58 HB1 SER 58 64.097 -9.089 5.621 396 HG SER 58 HG SER 58 63.165 -9.861 3.904 397 H GLY 59 HN GLY 59 64.936 -6.386 7.084 398 1HA GLY 59 HA2 GLY 59 67.653 -6.748 7.586 399 2HA GLY 59 HA1 GLY 59 67.564 -5.198 6.750 400 HA PRO 60 HA PRO 60 65.593 -4.988 11.162 401 1HB PRO 60 HB2 PRO 60 67.410 -5.952 12.976 402 2HB PRO 60 HB1 PRO 60 66.101 -6.946 12.304 403 1HG PRO 60 HG2 PRO 60 68.979 -6.837 11.537 404 2HG PRO 60 HG1 PRO 60 67.901 -8.236 11.680 405 1HD PRO 60 HD2 PRO 60 68.558 -7.117 9.295 406 2HD PRO 60 HD1 PRO 60 67.001 -7.926 9.589 407 H GLY 61 HN GLY 61 68.548 -4.407 9.662 408 1HA GLY 61 HA2 GLY 61 68.801 -1.767 10.880 409 2HA GLY 61 HA1 GLY 61 70.163 -2.847 11.209 410 H CYS 62 HN CYS 62 68.253 -2.968 8.256 411 HA CYS 62 HA CYS 62 70.608 -2.824 6.577 412 1HB CYS 62 HB2 CYS 62 68.837 -4.101 5.749 413 2HB CYS 62 HB1 CYS 62 67.620 -2.957 6.304 414 H LYS 63 HN LYS 63 71.080 -1.133 5.039 415 HA LYS 63 HA LYS 63 69.777 1.511 5.498 416 1HB LYS 63 HB2 LYS 63 72.243 0.699 6.578 417 2HB LYS 63 HB1 LYS 63 72.668 1.697 5.187 418 1HG LYS 63 HG2 LYS 63 72.321 3.469 6.554 419 2HG LYS 63 HG1 LYS 63 70.602 3.122 6.357 420 1HD LYS 63 HD2 LYS 63 70.402 2.297 8.463 421 2HD LYS 63 HD1 LYS 63 71.942 1.441 8.372 422 1HE LYS 63 HE2 LYS 63 73.040 3.783 8.561 423 2HE LYS 63 HE1 LYS 63 71.445 4.325 9.121 424 1HZ LYS 63 HZ1 LYS 63 73.244 3.223 10.742 425 2HZ LYS 63 HZ2 LYS 63 72.421 1.825 10.240 426 3HZ LYS 63 HZ3 LYS 63 71.571 3.091 10.990 427 H ILE 64 HN ILE 64 68.955 1.741 3.416 428 HA ILE 64 HA ILE 64 70.739 1.095 1.116 429 HB ILE 64 HB ILE 64 68.202 0.379 1.626 430 1HG1 ILE 64 HG12 ILE 64 69.372 1.141 -1.063 431 2HG1 ILE 64 HG11 ILE 64 69.432 -0.440 -0.279 432 1HG2 ILE 64 HG21 ILE 64 67.907 2.941 0.030 433 2HG2 ILE 64 HG22 ILE 64 67.402 2.732 1.706 434 3HG2 ILE 64 HG23 ILE 64 66.619 1.804 0.428 435 1HD1 ILE 64 HD1 ILE 64 67.047 0.967 -1.477 436 2HD1 ILE 64 HD1 ILE 64 66.849 -0.334 -0.301 437 3HD1 ILE 64 HD1 ILE 64 67.663 -0.647 -1.835 438 H SER 65 HN SER 65 71.007 2.700 -0.582 439 HA SER 65 HA SER 65 70.183 5.485 0.091 440 1HB SER 65 HB2 SER 65 72.734 4.333 0.588 441 2HB SER 65 HB1 SER 65 72.929 5.437 -0.772 442 HG SER 65 HG SER 65 73.150 6.521 1.219 443 H THR 66 HN THR 66 69.052 5.926 -1.776 444 HA THR 66 HA THR 66 68.589 6.179 -4.078 445 HB THR 66 HB THR 66 70.390 7.215 -5.237 446 HG1 THR 66 HG1 THR 66 72.339 6.280 -3.491 447 1HG2 THR 66 HG21 THR 66 71.434 7.710 -2.495 448 2HG2 THR 66 HG22 THR 66 69.724 8.040 -2.771 449 3HG2 THR 66 HG23 THR 66 70.948 8.861 -3.740 450 H CYS 67 HN CYS 67 67.834 4.254 -4.921 451 HA CYS 67 HA CYS 67 69.890 2.323 -5.942 452 1HB CYS 67 HB2 CYS 67 67.865 2.008 -3.971 453 2HB CYS 67 HB1 CYS 67 67.338 1.100 -5.388 454 H ILE 68 HN ILE 68 67.762 0.704 -7.169 455 HA ILE 68 HA ILE 68 66.706 2.611 -9.223 456 HB ILE 68 HB ILE 68 68.811 1.594 -9.986 457 1HG1 ILE 68 HG12 ILE 68 67.600 0.090 -11.879 458 2HG1 ILE 68 HG11 ILE 68 66.192 0.940 -11.238 459 1HG2 ILE 68 HG21 ILE 68 69.302 -0.469 -9.217 460 2HG2 ILE 68 HG22 ILE 68 68.128 -1.103 -10.371 461 3HG2 ILE 68 HG23 ILE 68 67.633 -0.739 -8.718 462 1HD1 ILE 68 HD1 ILE 68 68.494 1.992 -12.773 463 2HD1 ILE 68 HD1 ILE 68 67.969 2.994 -11.420 464 3HD1 ILE 68 HD1 ILE 68 66.830 2.572 -12.700 465 H ILE 69 HN ILE 69 64.639 2.116 -9.924 466 HA ILE 69 HA ILE 69 63.046 0.213 -8.438 467 HB ILE 69 HB ILE 69 62.146 2.293 -9.330 468 1HG1 ILE 69 HG12 ILE 69 60.947 0.152 -11.082 469 2HG1 ILE 69 HG11 ILE 69 60.769 0.081 -9.329 470 1HG2 ILE 69 HG21 ILE 69 62.125 1.543 -12.149 471 2HG2 ILE 69 HG22 ILE 69 63.767 1.705 -11.525 472 3HG2 ILE 69 HG23 ILE 69 62.639 3.055 -11.398 473 1HD1 ILE 69 HD1 ILE 69 59.387 1.912 -9.256 474 2HD1 ILE 69 HD1 ILE 69 59.023 1.398 -10.903 475 3HD1 ILE 69 HD1 ILE 69 60.183 2.697 -10.621 476 H THR 70 HN THR 70 63.560 -1.960 -8.770 477 HA THR 70 HA THR 70 63.173 -3.004 -11.530 478 HB THR 70 HB THR 70 65.587 -3.721 -9.847 479 HG1 THR 70 HG1 THR 70 66.577 -2.328 -11.598 480 1HG2 THR 70 HG21 THR 70 64.997 -5.349 -11.558 481 2HG2 THR 70 HG22 THR 70 66.442 -4.477 -12.069 482 3HG2 THR 70 HG23 THR 70 64.875 -4.075 -12.771 483 H GLY 71 HN GLY 71 62.455 -5.183 -11.532 484 1HA GLY 71 HA2 GLY 71 61.213 -6.109 -9.083 485 2HA GLY 71 HA1 GLY 71 61.255 -6.989 -10.613 486 H GLY 72 HN GLY 72 63.697 -5.891 -8.230 487 1HA GLY 72 HA2 GLY 72 64.621 -7.972 -6.929 488 2HA GLY 72 HA1 GLY 72 65.040 -8.528 -8.550 489 H VAL 73 HN VAL 73 66.189 -6.823 -5.901 490 HA VAL 73 HA VAL 73 68.039 -5.114 -7.486 491 HB VAL 73 HB VAL 73 67.796 -5.425 -4.484 492 1HG1 VAL 73 HG11 VAL 73 68.495 -2.999 -4.603 493 2HG1 VAL 73 HG12 VAL 73 68.744 -3.222 -6.334 494 3HG1 VAL 73 HG13 VAL 73 69.714 -4.136 -5.179 495 1HG2 VAL 73 HG21 VAL 73 66.205 -3.597 -6.313 496 2HG2 VAL 73 HG22 VAL 73 66.133 -3.613 -4.551 497 3HG2 VAL 73 HG23 VAL 73 65.556 -5.003 -5.470 498 HA PRO 74 HA PRO 74 71.279 -8.077 -7.117 499 1HB PRO 74 HB2 PRO 74 73.416 -6.403 -7.486 500 2HB PRO 74 HB1 PRO 74 72.350 -6.922 -8.807 501 1HG PRO 74 HG2 PRO 74 72.387 -4.356 -7.307 502 2HG PRO 74 HG1 PRO 74 72.088 -4.655 -9.025 503 1HD PRO 74 HD2 PRO 74 70.113 -4.158 -7.209 504 2HD PRO 74 HD1 PRO 74 69.871 -5.105 -8.693 505 H ALA 75 HN ALA 75 72.440 -8.896 -5.397 506 HA ALA 75 HA ALA 75 72.304 -7.716 -2.804 507 1HB ALA 75 HB1 ALA 75 72.575 -10.007 -2.774 508 2HB ALA 75 HB2 ALA 75 74.261 -9.536 -2.558 509 3HB ALA 75 HB3 ALA 75 73.672 -9.996 -4.156 510 HA PRO 76 HA PRO 76 76.935 -6.595 -3.368 511 1HB PRO 76 HB2 PRO 76 77.950 -6.641 -5.914 512 2HB PRO 76 HB1 PRO 76 78.005 -8.039 -4.820 513 1HG PRO 76 HG2 PRO 76 76.125 -7.461 -7.057 514 2HG PRO 76 HG1 PRO 76 76.871 -8.994 -6.577 515 1HD PRO 76 HD2 PRO 76 74.308 -8.344 -5.977 516 2HD PRO 76 HD1 PRO 76 75.302 -9.403 -4.953 517 H SER 77 HN SER 77 74.737 -5.774 -6.022 518 HA SER 77 HA SER 77 74.009 -3.647 -6.769 519 1HB SER 77 HB2 SER 77 73.814 -2.163 -5.045 520 2HB SER 77 HB1 SER 77 74.453 -3.488 -4.077 521 HG SER 77 HG SER 77 76.036 -2.167 -3.688 522 H ALA 78 HN ALA 78 77.330 -3.176 -5.449 523 HA ALA 78 HA ALA 78 79.176 -2.077 -6.470 524 1HB ALA 78 HB1 ALA 78 77.879 -3.754 -8.636 525 2HB ALA 78 HB2 ALA 78 79.298 -4.148 -7.667 526 3HB ALA 78 HB3 ALA 78 79.398 -2.899 -8.908 527 H ALA 79 HN ALA 79 76.421 -0.821 -6.477 528 HA ALA 79 HA ALA 79 77.020 1.446 -8.246 529 1HB ALA 79 HB1 ALA 79 74.803 1.131 -9.429 530 2HB ALA 79 HB2 ALA 79 74.673 -0.447 -8.648 531 3HB ALA 79 HB3 ALA 79 75.980 -0.133 -9.792 532 H CYS 80 HN CYS 80 74.270 -0.112 -6.581 533 HA CYS 80 HA CYS 80 73.364 2.445 -5.440 534 1HB CYS 80 HB2 CYS 80 71.828 0.702 -6.285 535 2HB CYS 80 HB1 CYS 80 72.478 -0.444 -5.115 536 H LYS 81 HN LYS 81 72.954 2.484 -2.989 537 HA LYS 81 HA LYS 81 75.373 1.446 -1.593 538 1HB LYS 81 HB2 LYS 81 73.445 3.707 -1.320 539 2HB LYS 81 HB1 LYS 81 74.216 3.121 0.155 540 1HG LYS 81 HG2 LYS 81 75.694 4.789 -0.635 541 2HG LYS 81 HG1 LYS 81 76.430 3.280 -1.175 542 1HD LYS 81 HD2 LYS 81 74.549 4.093 -3.163 543 2HD LYS 81 HD1 LYS 81 75.559 5.486 -2.773 544 1HE LYS 81 HE2 LYS 81 77.480 3.585 -2.900 545 2HE LYS 81 HE1 LYS 81 76.315 2.912 -4.059 546 1HZ LYS 81 HZ1 LYS 81 77.939 4.636 -4.947 547 2HZ LYS 81 HZ2 LYS 81 77.043 5.780 -4.064 548 3HZ LYS 81 HZ3 LYS 81 76.296 4.879 -5.296 549 H ILE 82 HN ILE 82 75.058 -0.475 -0.540 550 HA ILE 82 HA ILE 82 72.470 -0.887 0.915 551 HB ILE 82 HB ILE 82 72.479 -2.136 -1.167 552 1HG1 ILE 82 HG12 ILE 82 71.721 -3.234 1.031 553 2HG1 ILE 82 HG11 ILE 82 72.047 -4.312 -0.322 554 1HG2 ILE 82 HG21 ILE 82 75.142 -3.236 -0.232 555 2HG2 ILE 82 HG22 ILE 82 74.900 -2.107 -1.564 556 3HG2 ILE 82 HG23 ILE 82 74.274 -3.751 -1.678 557 1HD1 ILE 82 HD1 ILE 82 73.577 -3.937 2.214 558 2HD1 ILE 82 HD1 ILE 82 74.495 -4.329 0.765 559 3HD1 ILE 82 HD1 ILE 82 73.227 -5.414 1.324 560 H SER 83 HN SER 83 72.734 -1.713 3.003 561 HA SER 83 HA SER 83 75.396 -2.817 3.761 562 1HB SER 83 HB2 SER 83 74.225 -0.224 4.472 563 2HB SER 83 HB1 SER 83 74.729 -1.158 5.878 564 HG SER 83 HG SER 83 76.313 0.259 4.612 565 H GLY 84 HN GLY 84 73.967 -4.808 3.826 566 1HA GLY 84 HA2 GLY 84 73.252 -6.399 5.494 567 2HA GLY 84 HA1 GLY 84 72.775 -5.056 6.533 568 H CYS 85 HN CYS 85 71.920 -5.753 3.134 569 HA CYS 85 HA CYS 85 69.054 -5.937 4.008 570 1HB CYS 85 HB2 CYS 85 70.326 -3.858 2.612 571 2HB CYS 85 HB1 CYS 85 69.449 -4.762 1.378 572 H THR 86 HN THR 86 67.690 -7.092 2.439 573 HA THR 86 HA THR 86 69.234 -9.036 0.750 574 HB THR 86 HB THR 86 68.119 -9.977 2.756 575 HG1 THR 86 HG1 THR 86 66.443 -10.792 0.701 576 1HG2 THR 86 HG21 THR 86 66.352 -8.434 3.146 577 2HG2 THR 86 HG22 THR 86 65.562 -9.948 2.703 578 3HG2 THR 86 HG23 THR 86 65.707 -8.647 1.519 579 H PHE 87 HN PHE 87 68.125 -9.656 -1.283 580 HA PHE 87 HA PHE 87 65.961 -7.762 -2.118 581 1HB PHE 87 HB2 PHE 87 68.451 -8.476 -3.697 582 2HB PHE 87 HB1 PHE 87 67.207 -7.319 -4.171 583 HD1 PHE 87 HD1 PHE 87 70.413 -7.351 -3.125 584 HD2 PHE 87 HD2 PHE 87 66.634 -5.756 -1.842 585 HE1 PHE 87 HE1 PHE 87 71.590 -5.567 -1.867 586 HE2 PHE 87 HE2 PHE 87 67.817 -3.974 -0.589 587 HZ PHE 87 HZ PHE 87 70.287 -3.877 -0.601 588 H SER 88 HN SER 88 64.390 -8.719 -3.355 589 HA SER 88 HA SER 88 64.818 -11.065 -5.006 590 1HB SER 88 HB2 SER 88 64.929 -11.919 -2.617 591 2HB SER 88 HB1 SER 88 63.247 -11.428 -2.439 592 HG SER 88 HG SER 88 64.336 -13.580 -3.732 593 H ALA 89 HN ALA 89 63.142 -11.142 -6.497 594 HA ALA 89 HA ALA 89 61.301 -9.157 -6.962 595 1HB ALA 89 HB1 ALA 89 59.939 -11.494 -7.650 596 2HB ALA 89 HB2 ALA 89 61.633 -11.985 -7.616 597 3HB ALA 89 HB3 ALA 89 61.121 -10.653 -8.653 598 H ASN 90 HN ASN 90 59.307 -8.524 -6.139 599 HA ASN 90 HA ASN 90 58.463 -9.716 -3.575 600 1HB ASN 90 HB2 ASN 90 57.107 -7.721 -3.433 601 2HB ASN 90 HB1 ASN 90 58.667 -7.240 -4.102 602 1HD2 ASN 90 HD2 ASN 90 58.276 -5.690 -5.688 603 2HD2 ASN 90 HD2 ASN 90 57.063 -5.791 -6.870 Start of MODEL 17 1 1H ASP 1 HT1 ASP 1 44.053 10.094 2.391 2 2H ASP 1 HT2 ASP 1 44.801 11.279 1.431 3 3H ASP 1 HT3 ASP 1 43.475 11.689 2.411 4 HA ASP 1 HA ASP 1 46.279 11.287 3.149 5 1HB ASP 1 HB2 ASP 1 45.004 13.468 2.869 6 2HB ASP 1 HB1 ASP 1 44.026 12.987 4.256 7 H GLY 2 HN GLY 2 46.555 9.417 4.365 8 1HA GLY 2 HA2 GLY 2 44.661 9.030 6.652 9 2HA GLY 2 HA1 GLY 2 45.354 7.667 5.769 10 H SER 3 HN SER 3 45.639 9.017 8.637 11 HA SER 3 HA SER 3 47.387 9.236 10.221 12 1HB SER 3 HB2 SER 3 47.780 6.964 10.095 13 2HB SER 3 HB1 SER 3 48.002 7.001 8.349 14 HG SER 3 HG SER 3 49.820 7.892 10.341 15 H CYS 4 HN CYS 4 49.673 8.442 7.685 16 HA CYS 4 HA CYS 4 50.561 11.304 7.589 17 1HB CYS 4 HB2 CYS 4 51.840 9.669 9.114 18 2HB CYS 4 HB1 CYS 4 52.384 8.895 7.626 19 H THR 5 HN THR 5 51.577 8.218 6.082 20 HA THR 5 HA THR 5 50.968 9.420 3.405 21 HB THR 5 HB THR 5 53.418 9.445 4.152 22 HG1 THR 5 HG1 THR 5 53.398 9.569 2.053 23 1HG2 THR 5 HG21 THR 5 53.497 7.308 5.298 24 2HG2 THR 5 HG22 THR 5 54.583 7.237 3.909 25 3HG2 THR 5 HG23 THR 5 53.000 6.461 3.834 26 H ASN 6 HN ASN 6 49.475 7.474 5.114 27 HA ASN 6 HA ASN 6 49.848 4.837 3.887 28 1HB ASN 6 HB2 ASN 6 48.835 5.826 6.239 29 2HB ASN 6 HB1 ASN 6 47.354 5.482 5.341 30 1HD2 ASN 6 HD2 ASN 6 50.553 3.831 5.743 31 2HD2 ASN 6 HD2 ASN 6 49.882 2.300 6.035 32 H THR 7 HN THR 7 49.544 5.966 1.630 33 HA THR 7 HA THR 7 46.675 6.420 0.969 34 HB THR 7 HB THR 7 48.229 6.816 -1.300 35 HG1 THR 7 HG1 THR 7 49.662 7.763 0.950 36 1HG2 THR 7 HG21 THR 7 47.809 8.920 0.820 37 2HG2 THR 7 HG22 THR 7 46.469 8.272 -0.123 38 3HG2 THR 7 HG23 THR 7 47.789 9.117 -0.933 39 H ASN 8 HN ASN 8 45.710 4.395 0.673 40 HA ASN 8 HA ASN 8 45.382 2.211 -0.203 41 1HB ASN 8 HB2 ASN 8 45.450 4.100 -2.117 42 2HB ASN 8 HB1 ASN 8 46.817 3.125 -2.657 43 1HD2 ASN 8 HD2 ASN 8 43.311 3.118 -2.188 44 2HD2 ASN 8 HD2 ASN 8 43.027 1.654 -3.000 45 H SER 9 HN SER 9 48.087 2.856 1.096 46 HA SER 9 HA SER 9 49.590 0.566 -0.122 47 1HB SER 9 HB2 SER 9 51.583 2.115 0.782 48 2HB SER 9 HB1 SER 9 50.887 2.354 -0.819 49 HG SER 9 HG SER 9 50.570 4.302 -0.052 50 H GLN 10 HN GLN 10 51.656 0.521 1.790 51 HA GLN 10 HA GLN 10 50.279 0.322 4.428 52 1HB GLN 10 HB2 GLN 10 51.008 -1.826 2.618 53 2HB GLN 10 HB1 GLN 10 51.853 -1.994 4.157 54 1HG GLN 10 HG2 GLN 10 49.937 -2.932 4.916 55 2HG GLN 10 HG1 GLN 10 49.303 -1.287 4.949 56 1HE2 GLN 10 HE21 GLN 10 47.591 -3.541 4.458 57 2HE2 GLN 10 HE22 GLN 10 47.027 -3.438 2.861 58 H LEU 11 HN LEU 11 51.593 1.716 5.570 59 HA LEU 11 HA LEU 11 54.547 1.560 5.193 60 1HB LEU 11 HB2 LEU 11 53.148 3.715 5.113 61 2HB LEU 11 HB1 LEU 11 52.939 3.516 6.854 62 HG LEU 11 HG LEU 11 55.446 3.418 7.072 63 1HD1 LEU 11 HD1 LEU 11 55.350 4.338 4.180 64 2HD1 LEU 11 HD1 LEU 11 55.890 2.747 4.715 65 3HD1 LEU 11 HD1 LEU 11 56.798 4.187 5.175 66 1HD2 LEU 11 HD2 LEU 11 55.186 6.013 5.793 67 2HD2 LEU 11 HD2 LEU 11 55.321 5.630 7.510 68 3HD2 LEU 11 HD2 LEU 11 53.740 5.631 6.728 69 H SER 12 HN SER 12 52.692 -0.355 6.751 70 HA SER 12 HA SER 12 52.879 -1.628 8.728 71 1HB SER 12 HB2 SER 12 55.276 -1.503 7.964 72 2HB SER 12 HB1 SER 12 55.477 -0.081 8.982 73 HG SER 12 HG SER 12 54.513 -2.571 9.932 74 H ALA 13 HN ALA 13 52.127 1.483 8.649 75 HA ALA 13 HA ALA 13 51.569 3.143 10.254 76 1HB ALA 13 HB1 ALA 13 50.568 0.468 10.947 77 2HB ALA 13 HB2 ALA 13 49.700 2.000 10.859 78 3HB ALA 13 HB3 ALA 13 50.599 1.578 12.317 79 H ASN 14 HN ASN 14 54.372 2.024 10.448 80 HA ASN 14 HA ASN 14 55.010 3.134 13.092 81 1HB ASN 14 HB2 ASN 14 54.344 0.895 13.701 82 2HB ASN 14 HB1 ASN 14 55.313 0.197 12.401 83 1HD2 ASN 14 HD2 ASN 14 56.558 -1.050 14.013 84 2HD2 ASN 14 HD2 ASN 14 57.735 -0.286 14.970 85 H SER 15 HN SER 15 55.734 3.203 10.029 86 HA SER 15 HA SER 15 58.705 2.949 10.360 87 1HB SER 15 HB2 SER 15 57.294 3.197 7.717 88 2HB SER 15 HB1 SER 15 58.764 2.308 8.108 89 HG SER 15 HG SER 15 56.077 1.653 8.726 90 H LYS 16 HN LYS 16 59.056 4.581 7.882 91 HA LYS 16 HA LYS 16 58.547 7.259 9.129 92 1HB LYS 16 HB2 LYS 16 60.875 6.110 8.409 93 2HB LYS 16 HB1 LYS 16 60.454 6.868 6.874 94 1HG LYS 16 HG2 LYS 16 61.685 8.533 8.010 95 2HG LYS 16 HG1 LYS 16 60.003 8.995 8.276 96 1HD LYS 16 HD2 LYS 16 60.173 7.563 10.434 97 2HD LYS 16 HD1 LYS 16 61.917 7.684 10.201 98 1HE LYS 16 HE2 LYS 16 61.036 10.303 9.831 99 2HE LYS 16 HE1 LYS 16 60.050 9.708 11.181 100 1HZ LYS 16 HZ1 LYS 16 62.199 10.530 11.960 101 2HZ LYS 16 HZ2 LYS 16 63.001 9.424 10.949 102 3HZ LYS 16 HZ3 LYS 16 62.046 8.865 12.239 103 H CYS 17 HN CYS 17 57.110 8.565 8.099 104 HA CYS 17 HA CYS 17 56.220 7.815 5.347 105 1HB CYS 17 HB2 CYS 17 54.198 9.067 6.005 106 2HB CYS 17 HB1 CYS 17 54.593 7.849 7.219 107 H GLU 18 HN GLU 18 58.409 9.014 4.771 108 HA GLU 18 HA GLU 18 58.282 11.949 4.966 109 1HB GLU 18 HB2 GLU 18 60.325 10.319 5.023 110 2HB GLU 18 HB1 GLU 18 60.169 10.331 3.265 111 1HG GLU 18 HG2 GLU 18 61.762 12.067 4.130 112 2HG GLU 18 HG1 GLU 18 60.427 12.741 3.196 113 H LYS 19 HN LYS 19 56.004 11.298 3.681 114 HA LYS 19 HA LYS 19 54.808 11.480 1.640 115 1HB LYS 19 HB2 LYS 19 57.151 13.359 1.191 116 2HB LYS 19 HB1 LYS 19 55.586 13.452 0.380 117 1HG LYS 19 HG2 LYS 19 54.792 13.412 2.984 118 2HG LYS 19 HG1 LYS 19 56.334 14.255 3.130 119 1HD LYS 19 HD2 LYS 19 55.644 16.040 1.820 120 2HD LYS 19 HD1 LYS 19 54.455 15.073 0.946 121 1HE LYS 19 HE2 LYS 19 53.386 14.901 3.420 122 2HE LYS 19 HE1 LYS 19 54.188 16.480 3.561 123 1HZ LYS 19 HZ1 LYS 19 52.924 17.381 1.935 124 2HZ LYS 19 HZ2 LYS 19 51.815 16.188 2.420 125 3HZ LYS 19 HZ3 LYS 19 52.801 15.933 1.060 126 H SER 20 HN SER 20 55.616 9.178 1.137 127 HA SER 20 HA SER 20 56.852 9.169 -1.534 128 1HB SER 20 HB2 SER 20 58.271 8.493 0.980 129 2HB SER 20 HB1 SER 20 58.488 7.346 -0.340 130 HG SER 20 HG SER 20 59.264 10.010 -0.112 131 H THR 21 HN THR 21 54.422 8.336 -1.418 132 HA THR 21 HA THR 21 54.551 5.386 -1.553 133 HB THR 21 HB THR 21 52.290 6.378 0.073 134 HG1 THR 21 HG1 THR 21 53.455 7.402 1.460 135 1HG2 THR 21 HG21 THR 21 52.348 4.222 0.709 136 2HG2 THR 21 HG22 THR 21 54.003 4.398 1.290 137 3HG2 THR 21 HG23 THR 21 53.701 3.979 -0.395 138 H LEU 22 HN LEU 22 52.696 4.509 -2.709 139 HA LEU 22 HA LEU 22 50.976 6.576 -4.043 140 1HB LEU 22 HB2 LEU 22 52.590 4.266 -5.122 141 2HB LEU 22 HB1 LEU 22 51.214 4.903 -6.028 142 HG LEU 22 HG LEU 22 52.590 7.189 -5.267 143 1HD1 LEU 22 HD1 LEU 22 54.398 4.942 -5.201 144 2HD1 LEU 22 HD1 LEU 22 54.734 6.642 -4.865 145 3HD1 LEU 22 HD1 LEU 22 54.846 6.028 -6.515 146 1HD2 LEU 22 HD2 LEU 22 53.075 5.711 -7.860 147 2HD2 LEU 22 HD2 LEU 22 52.973 7.452 -7.601 148 3HD2 LEU 22 HD2 LEU 22 51.521 6.458 -7.490 149 H THR 23 HN THR 23 51.094 3.034 -4.336 150 HA THR 23 HA THR 23 48.786 2.541 -2.652 151 HB THR 23 HB THR 23 47.540 3.680 -4.318 152 HG1 THR 23 HG1 THR 23 46.700 1.756 -5.615 153 1HG2 THR 23 HG21 THR 23 49.122 2.146 -6.402 154 2HG2 THR 23 HG22 THR 23 49.395 3.831 -5.960 155 3HG2 THR 23 HG23 THR 23 47.878 3.355 -6.722 156 H ASN 24 HN ASN 24 51.480 1.418 -3.397 157 HA ASN 24 HA ASN 24 50.637 -1.408 -3.621 158 1HB ASN 24 HB2 ASN 24 51.283 0.071 -5.886 159 2HB ASN 24 HB1 ASN 24 52.792 -0.756 -5.502 160 1HD2 ASN 24 HD2 ASN 24 49.262 -1.496 -5.790 161 2HD2 ASN 24 HD2 ASN 24 49.499 -3.049 -6.433 162 H CYS 25 HN CYS 25 51.632 -0.767 -1.332 163 HA CYS 25 HA CYS 25 54.442 -1.713 -1.342 164 1HB CYS 25 HB2 CYS 25 53.488 1.047 -0.620 165 2HB CYS 25 HB1 CYS 25 54.881 0.367 0.217 166 H TYR 26 HN TYR 26 54.383 -3.289 0.190 167 HA TYR 26 HA TYR 26 52.672 -2.892 2.621 168 1HB TYR 26 HB2 TYR 26 53.510 -5.176 0.895 169 2HB TYR 26 HB1 TYR 26 53.359 -5.513 2.619 170 HD1 TYR 26 HD1 TYR 26 51.464 -3.375 0.175 171 HD2 TYR 26 HD2 TYR 26 51.308 -6.470 3.152 172 HE1 TYR 26 HE1 TYR 26 48.997 -3.472 -0.054 173 HE2 TYR 26 HE2 TYR 26 48.842 -6.566 2.921 174 HH TYR 26 HH TYR 26 47.018 -5.263 2.159 175 H VAL 27 HN VAL 27 54.235 -1.705 3.874 176 HA VAL 27 HA VAL 27 56.930 -2.933 4.183 177 HB VAL 27 HB VAL 27 55.818 -0.336 5.303 178 1HG1 VAL 27 HG11 VAL 27 58.489 -0.015 4.649 179 2HG1 VAL 27 HG12 VAL 27 58.425 -1.672 5.251 180 3HG1 VAL 27 HG13 VAL 27 57.859 -0.345 6.266 181 1HG2 VAL 27 HG21 VAL 27 55.889 0.609 3.255 182 2HG2 VAL 27 HG22 VAL 27 56.045 -1.016 2.586 183 3HG2 VAL 27 HG23 VAL 27 57.488 -0.065 2.939 184 H ASP 28 HN ASP 28 57.825 -2.989 6.439 185 HA ASP 28 HA ASP 28 55.821 -3.276 8.618 186 1HB ASP 28 HB2 ASP 28 56.038 -5.472 7.492 187 2HB ASP 28 HB1 ASP 28 57.785 -5.418 7.730 188 H LYS 29 HN LYS 29 56.741 -1.798 10.055 189 HA LYS 29 HA LYS 29 58.397 -0.715 11.358 190 1HB LYS 29 HB2 LYS 29 58.315 -3.104 12.204 191 2HB LYS 29 HB1 LYS 29 59.679 -3.458 11.144 192 1HG LYS 29 HG2 LYS 29 60.419 -1.127 12.528 193 2HG LYS 29 HG1 LYS 29 59.674 -2.166 13.743 194 1HD LYS 29 HD2 LYS 29 61.442 -3.563 13.742 195 2HD LYS 29 HD1 LYS 29 61.401 -3.703 11.985 196 1HE LYS 29 HE2 LYS 29 63.535 -2.724 12.520 197 2HE LYS 29 HE1 LYS 29 62.529 -1.382 11.936 198 1HZ LYS 29 HZ1 LYS 29 61.907 -0.897 14.221 199 2HZ LYS 29 HZ2 LYS 29 63.596 -0.827 14.045 200 3HZ LYS 29 HZ3 LYS 29 62.870 -2.175 14.783 201 H SER 30 HN SER 30 58.888 0.375 9.105 202 HA SER 30 HA SER 30 61.758 -0.186 8.416 203 1HB SER 30 HB2 SER 30 59.562 0.671 6.510 204 2HB SER 30 HB1 SER 30 61.181 0.116 6.093 205 HG SER 30 HG SER 30 60.161 -1.737 5.943 206 H GLU 31 HN GLU 31 62.196 1.840 6.684 207 HA GLU 31 HA GLU 31 61.319 4.381 7.968 208 1HB GLU 31 HB2 GLU 31 63.734 3.098 8.504 209 2HB GLU 31 HB1 GLU 31 64.165 4.292 7.281 210 1HG GLU 31 HG2 GLU 31 62.394 5.170 9.521 211 2HG GLU 31 HG1 GLU 31 64.105 4.926 9.869 212 H VAL 32 HN VAL 32 60.243 5.093 6.093 213 HA VAL 32 HA VAL 32 61.698 4.891 3.503 214 HB VAL 32 HB VAL 32 58.839 5.489 4.309 215 1HG1 VAL 32 HG11 VAL 32 58.266 5.732 2.058 216 2HG1 VAL 32 HG12 VAL 32 59.726 4.917 1.495 217 3HG1 VAL 32 HG13 VAL 32 59.820 6.564 2.120 218 1HG2 VAL 32 HG21 VAL 32 58.420 3.270 3.306 219 2HG2 VAL 32 HG22 VAL 32 59.598 3.146 4.618 220 3HG2 VAL 32 HG23 VAL 32 60.138 3.109 2.937 221 H TYR 33 HN TYR 33 62.690 6.652 2.713 222 HA TYR 33 HA TYR 33 61.752 9.381 3.528 223 1HB TYR 33 HB2 TYR 33 64.020 8.093 4.414 224 2HB TYR 33 HB1 TYR 33 64.636 8.978 3.020 225 HD1 TYR 33 HD1 TYR 33 63.239 9.240 6.392 226 HD2 TYR 33 HD2 TYR 33 64.472 11.446 2.918 227 HE1 TYR 33 HE1 TYR 33 63.271 11.329 7.730 228 HE2 TYR 33 HE2 TYR 33 64.502 13.535 4.254 229 HH TYR 33 HH TYR 33 64.809 13.860 7.141 230 H GLY 34 HN GLY 34 61.233 10.503 1.673 231 1HA GLY 34 HA2 GLY 34 61.066 10.938 -0.646 232 2HA GLY 34 HA1 GLY 34 62.825 11.012 -0.521 233 H THR 35 HN THR 35 60.690 8.201 -0.102 234 HA THR 35 HA THR 35 62.293 6.787 -2.189 235 HB THR 35 HB THR 35 60.494 5.876 0.079 236 HG1 THR 35 HG1 THR 35 62.826 6.735 0.234 237 1HG2 THR 35 HG21 THR 35 61.123 3.608 -0.491 238 2HG2 THR 35 HG22 THR 35 62.190 4.183 -1.772 239 3HG2 THR 35 HG23 THR 35 60.444 4.367 -1.932 240 H THR 36 HN THR 36 61.058 5.323 -3.650 241 HA THR 36 HA THR 36 58.493 6.579 -4.488 242 HB THR 36 HB THR 36 58.989 5.541 -6.610 243 HG1 THR 36 HG1 THR 36 60.393 3.901 -6.799 244 1HG2 THR 36 HG21 THR 36 61.197 6.901 -5.158 245 2HG2 THR 36 HG22 THR 36 60.409 7.335 -6.673 246 3HG2 THR 36 HG23 THR 36 61.642 6.076 -6.650 247 H CYS 37 HN CYS 37 56.965 4.784 -5.537 248 HA CYS 37 HA CYS 37 56.951 2.215 -4.098 249 1HB CYS 37 HB2 CYS 37 55.581 4.587 -3.165 250 2HB CYS 37 HB1 CYS 37 54.414 3.322 -3.544 251 H THR 38 HN THR 38 57.112 2.086 -6.683 252 HA THR 38 HA THR 38 54.347 2.067 -7.844 253 HB THR 38 HB THR 38 55.888 1.903 -9.987 254 HG1 THR 38 HG1 THR 38 57.868 1.706 -9.219 255 1HG2 THR 38 HG21 THR 38 55.848 4.278 -10.157 256 2HG2 THR 38 HG22 THR 38 55.935 4.478 -8.407 257 3HG2 THR 38 HG23 THR 38 54.463 3.857 -9.152 258 H GLY 39 HN GLY 39 55.210 -0.092 -6.133 259 1HA GLY 39 HA2 GLY 39 54.477 -2.430 -6.707 260 2HA GLY 39 HA1 GLY 39 55.502 -2.296 -8.137 261 H SER 40 HN SER 40 55.490 -2.745 -4.656 262 HA SER 40 HA SER 40 58.033 -4.148 -4.731 263 1HB SER 40 HB2 SER 40 59.441 -2.500 -3.818 264 2HB SER 40 HB1 SER 40 58.461 -1.576 -4.956 265 HG SER 40 HG SER 40 58.179 -1.806 -2.143 266 H ARG 41 HN ARG 41 58.818 -4.394 -2.290 267 HA ARG 41 HA ARG 41 56.533 -4.329 -0.384 268 1HB ARG 41 HB2 ARG 41 56.221 -6.465 -1.335 269 2HB ARG 41 HB1 ARG 41 57.954 -6.740 -1.512 270 1HG ARG 41 HG2 ARG 41 56.831 -8.028 0.373 271 2HG ARG 41 HG1 ARG 41 58.232 -7.067 0.845 272 1HD ARG 41 HD2 ARG 41 56.973 -5.628 2.118 273 2HD ARG 41 HD1 ARG 41 55.627 -5.643 0.958 274 HE ARG 41 HE ARG 41 54.932 -7.818 1.881 275 1HH1 ARG 41 HH1 ARG 41 57.809 -8.257 3.021 276 2HH1 ARG 41 HH1 ARG 41 57.467 -8.194 4.718 277 1HH2 ARG 41 HH2 ARG 41 54.302 -6.834 4.296 278 2HH2 ARG 41 HH2 ARG 41 55.478 -7.391 5.441 279 H PHE 42 HN PHE 42 57.354 -3.490 1.482 280 HA PHE 42 HA PHE 42 60.288 -3.730 1.992 281 1HB PHE 42 HB2 PHE 42 58.058 -1.890 2.782 282 2HB PHE 42 HB1 PHE 42 59.505 -1.955 3.783 283 HD1 PHE 42 HD1 PHE 42 59.234 -2.367 0.084 284 HD2 PHE 42 HD2 PHE 42 60.585 0.108 3.330 285 HE1 PHE 42 HE1 PHE 42 60.401 -0.888 -1.530 286 HE2 PHE 42 HE2 PHE 42 61.736 1.589 1.714 287 HZ PHE 42 HZ PHE 42 61.655 1.090 -0.716 288 H ASP 43 HN ASP 43 60.900 -4.043 4.318 289 HA ASP 43 HA ASP 43 59.083 -5.142 6.262 290 1HB ASP 43 HB2 ASP 43 59.048 -6.903 4.478 291 2HB ASP 43 HB1 ASP 43 60.787 -7.105 4.688 292 H GLY 44 HN GLY 44 60.222 -4.261 7.989 293 1HA GLY 44 HA2 GLY 44 62.071 -3.684 9.341 294 2HA GLY 44 HA1 GLY 44 62.666 -5.298 8.928 295 H VAL 45 HN VAL 45 62.314 -2.085 7.392 296 HA VAL 45 HA VAL 45 65.102 -2.372 6.352 297 HB VAL 45 HB VAL 45 62.482 -2.196 4.904 298 1HG1 VAL 45 HG11 VAL 45 63.188 -0.508 3.587 299 2HG1 VAL 45 HG12 VAL 45 64.379 -1.644 2.943 300 3HG1 VAL 45 HG13 VAL 45 64.820 -0.562 4.263 301 1HG2 VAL 45 HG21 VAL 45 63.880 -4.295 5.203 302 2HG2 VAL 45 HG22 VAL 45 65.077 -3.546 4.146 303 3HG2 VAL 45 HG23 VAL 45 63.458 -3.894 3.538 304 H THR 46 HN THR 46 66.192 -0.465 6.624 305 HA THR 46 HA THR 46 64.585 2.025 7.063 306 HB THR 46 HB THR 46 67.370 1.188 7.938 307 HG1 THR 46 HG1 THR 46 65.951 1.861 9.969 308 1HG2 THR 46 HG21 THR 46 66.443 3.551 9.235 309 2HG2 THR 46 HG22 THR 46 66.270 3.786 7.494 310 3HG2 THR 46 HG23 THR 46 67.843 3.367 8.176 311 H ILE 47 HN ILE 47 64.440 2.547 4.798 312 HA ILE 47 HA ILE 47 67.053 3.064 3.423 313 HB ILE 47 HB ILE 47 65.639 2.883 1.374 314 1HG1 ILE 47 HG12 ILE 47 63.290 1.800 2.682 315 2HG1 ILE 47 HG11 ILE 47 63.589 3.453 3.225 316 1HG2 ILE 47 HG21 ILE 47 64.664 0.455 2.308 317 2HG2 ILE 47 HG22 ILE 47 66.039 0.788 3.362 318 3HG2 ILE 47 HG23 ILE 47 66.260 0.730 1.612 319 1HD1 ILE 47 HD1 ILE 47 62.303 3.782 1.284 320 2HD1 ILE 47 HD1 ILE 47 63.081 2.449 0.430 321 3HD1 ILE 47 HD1 ILE 47 63.951 3.962 0.685 322 H THR 48 HN THR 48 67.029 5.068 2.015 323 HA THR 48 HA THR 48 65.304 7.213 3.207 324 HB THR 48 HB THR 48 67.879 7.019 3.692 325 HG1 THR 48 HG1 THR 48 67.749 9.086 4.145 326 1HG2 THR 48 HG21 THR 48 68.047 6.980 0.976 327 2HG2 THR 48 HG22 THR 48 69.354 7.517 2.030 328 3HG2 THR 48 HG23 THR 48 68.272 8.699 1.293 329 H THR 49 HN THR 49 66.324 9.193 1.317 330 HA THR 49 HA THR 49 64.490 9.087 -0.790 331 HB THR 49 HB THR 49 67.289 10.162 -1.112 332 HG1 THR 49 HG1 THR 49 66.239 12.014 0.076 333 1HG2 THR 49 HG21 THR 49 64.512 11.021 -1.933 334 2HG2 THR 49 HG22 THR 49 65.876 10.617 -2.975 335 3HG2 THR 49 HG23 THR 49 65.901 12.104 -2.028 336 H SER 50 HN SER 50 64.394 6.908 -1.639 337 HA SER 50 HA SER 50 66.630 6.288 -3.525 338 1HB SER 50 HB2 SER 50 66.825 4.108 -2.651 339 2HB SER 50 HB1 SER 50 66.591 5.090 -1.207 340 HG SER 50 HG SER 50 65.198 3.072 -1.758 341 H THR 51 HN THR 51 65.986 5.004 -5.333 342 HA THR 51 HA THR 51 63.039 5.026 -5.872 343 HB THR 51 HB THR 51 63.929 4.964 -8.273 344 HG1 THR 51 HG1 THR 51 66.042 5.114 -8.565 345 1HG2 THR 51 HG21 THR 51 64.461 7.218 -6.348 346 2HG2 THR 51 HG22 THR 51 63.173 7.072 -7.546 347 3HG2 THR 51 HG23 THR 51 64.828 7.391 -8.065 348 H SER 52 HN SER 52 63.810 2.891 -4.361 349 HA SER 52 HA SER 52 64.284 0.635 -6.278 350 1HB SER 52 HB2 SER 52 65.480 1.411 -3.867 351 2HB SER 52 HB1 SER 52 64.450 0.050 -3.424 352 HG SER 52 HG SER 52 66.309 0.094 -5.577 353 H THR 53 HN THR 53 62.301 -0.200 -6.864 354 HA THR 53 HA THR 53 60.485 -1.121 -4.708 355 HB THR 53 HB THR 53 58.629 -0.014 -6.267 356 HG1 THR 53 HG1 THR 53 59.390 1.846 -7.222 357 1HG2 THR 53 HG21 THR 53 58.379 1.067 -4.315 358 2HG2 THR 53 HG22 THR 53 59.617 2.211 -4.830 359 3HG2 THR 53 HG23 THR 53 60.067 0.781 -3.904 360 H GLY 54 HN GLY 54 60.297 -3.278 -5.278 361 1HA GLY 54 HA2 GLY 54 58.928 -4.190 -7.535 362 2HA GLY 54 HA1 GLY 54 60.630 -4.206 -7.994 363 H SER 55 HN SER 55 61.779 -4.955 -5.529 364 HA SER 55 HA SER 55 60.773 -7.761 -5.296 365 1HB SER 55 HB2 SER 55 62.937 -8.216 -5.751 366 2HB SER 55 HB1 SER 55 63.334 -6.501 -5.711 367 HG SER 55 HG SER 55 64.201 -6.819 -3.831 368 H ARG 56 HN ARG 56 61.500 -8.709 -3.029 369 HA ARG 56 HA ARG 56 60.375 -6.887 -0.959 370 1HB ARG 56 HB2 ARG 56 59.377 -9.099 -1.253 371 2HB ARG 56 HB1 ARG 56 60.956 -9.866 -1.070 372 1HG ARG 56 HG2 ARG 56 60.782 -8.314 1.207 373 2HG ARG 56 HG1 ARG 56 59.118 -8.860 0.988 374 1HD ARG 56 HD2 ARG 56 59.730 -11.152 1.103 375 2HD ARG 56 HD1 ARG 56 61.447 -10.789 0.830 376 HE ARG 56 HE ARG 56 61.115 -9.412 3.080 377 1HH1 ARG 56 HH2 ARG 56 61.855 -12.431 3.023 378 2HH1 ARG 56 HH2 ARG 56 60.811 -13.022 4.273 379 1HH2 ARG 56 HH1 ARG 56 58.843 -10.166 4.342 380 2HH2 ARG 56 HH1 ARG 56 59.107 -11.737 5.022 381 H ILE 57 HN ILE 57 61.747 -5.922 0.495 382 HA ILE 57 HA ILE 57 64.563 -6.912 0.634 383 HB ILE 57 HB ILE 57 63.208 -4.298 1.344 384 1HG1 ILE 57 HG12 ILE 57 64.837 -5.335 -0.946 385 2HG1 ILE 57 HG11 ILE 57 63.488 -4.198 -0.956 386 1HG2 ILE 57 HG21 ILE 57 65.389 -3.477 1.983 387 2HG2 ILE 57 HG22 ILE 57 66.152 -4.991 1.494 388 3HG2 ILE 57 HG23 ILE 57 65.086 -4.955 2.895 389 1HD1 ILE 57 HD1 ILE 57 66.278 -3.588 0.063 390 2HD1 ILE 57 HD1 ILE 57 64.931 -2.446 -0.002 391 3HD1 ILE 57 HD1 ILE 57 65.633 -3.071 -1.496 392 H SER 58 HN SER 58 65.592 -6.987 2.755 393 HA SER 58 HA SER 58 63.783 -6.985 5.121 394 1HB SER 58 HB2 SER 58 63.568 -9.230 5.077 395 2HB SER 58 HB1 SER 58 64.590 -9.318 3.645 396 HG SER 58 HG SER 58 65.480 -9.170 6.345 397 H GLY 59 HN GLY 59 65.001 -6.907 7.159 398 1HA GLY 59 HA2 GLY 59 67.738 -7.208 7.524 399 2HA GLY 59 HA1 GLY 59 67.573 -5.571 6.893 400 HA PRO 60 HA PRO 60 66.027 -5.894 11.410 401 1HB PRO 60 HB2 PRO 60 68.148 -6.705 12.943 402 2HB PRO 60 HB1 PRO 60 66.927 -7.837 12.328 403 1HG PRO 60 HG2 PRO 60 69.675 -7.298 11.347 404 2HG PRO 60 HG1 PRO 60 68.767 -8.816 11.392 405 1HD PRO 60 HD2 PRO 60 69.125 -7.283 9.135 406 2HD PRO 60 HD1 PRO 60 67.793 -8.437 9.369 407 H GLY 61 HN GLY 61 68.651 -4.806 9.626 408 1HA GLY 61 HA2 GLY 61 68.697 -2.213 10.904 409 2HA GLY 61 HA1 GLY 61 70.181 -3.123 11.208 410 H CYS 62 HN CYS 62 68.163 -3.249 8.293 411 HA CYS 62 HA CYS 62 70.453 -3.001 6.542 412 1HB CYS 62 HB2 CYS 62 68.642 -4.230 5.707 413 2HB CYS 62 HB1 CYS 62 67.455 -3.091 6.337 414 H LYS 63 HN LYS 63 70.971 -1.246 5.169 415 HA LYS 63 HA LYS 63 69.586 1.348 5.601 416 1HB LYS 63 HB2 LYS 63 72.384 0.558 6.322 417 2HB LYS 63 HB1 LYS 63 72.090 2.211 5.788 418 1HG LYS 63 HG2 LYS 63 70.012 1.555 7.611 419 2HG LYS 63 HG1 LYS 63 71.520 1.019 8.349 420 1HD LYS 63 HD2 LYS 63 70.821 3.436 8.821 421 2HD LYS 63 HD1 LYS 63 72.469 3.202 8.233 422 1HE LYS 63 HE2 LYS 63 71.987 4.090 6.131 423 2HE LYS 63 HE1 LYS 63 70.265 3.681 6.243 424 1HZ LYS 63 HZ1 LYS 63 70.334 5.958 6.683 425 2HZ LYS 63 HZ2 LYS 63 71.736 5.839 7.633 426 3HZ LYS 63 HZ3 LYS 63 70.252 5.260 8.226 427 H ILE 64 HN ILE 64 69.062 1.880 3.505 428 HA ILE 64 HA ILE 64 70.981 1.168 1.333 429 HB ILE 64 HB ILE 64 68.358 0.634 1.598 430 1HG1 ILE 64 HG12 ILE 64 69.601 1.439 -1.045 431 2HG1 ILE 64 HG11 ILE 64 69.902 -0.098 -0.231 432 1HG2 ILE 64 HG21 ILE 64 67.083 2.230 0.142 433 2HG2 ILE 64 HG22 ILE 64 68.471 3.318 0.188 434 3HG2 ILE 64 HG23 ILE 64 67.595 2.941 1.671 435 1HD1 ILE 64 HD1 ILE 64 68.150 -0.543 -1.786 436 2HD1 ILE 64 HD1 ILE 64 67.293 0.935 -1.350 437 3HD1 ILE 64 HD1 ILE 64 67.359 -0.413 -0.213 438 H SER 65 HN SER 65 71.143 2.821 -0.460 439 HA SER 65 HA SER 65 70.728 5.638 0.411 440 1HB SER 65 HB2 SER 65 72.892 5.587 1.146 441 2HB SER 65 HB1 SER 65 73.263 4.123 0.234 442 HG SER 65 HG SER 65 72.964 6.727 -0.866 443 H THR 66 HN THR 66 69.294 5.950 -1.366 444 HA THR 66 HA THR 66 68.662 6.278 -3.624 445 HB THR 66 HB THR 66 70.328 7.498 -4.854 446 HG1 THR 66 HG1 THR 66 72.291 6.804 -4.875 447 1HG2 THR 66 HG21 THR 66 69.673 8.115 -2.273 448 2HG2 THR 66 HG22 THR 66 70.595 9.172 -3.342 449 3HG2 THR 66 HG23 THR 66 71.435 8.127 -2.195 450 H CYS 67 HN CYS 67 68.035 4.288 -4.469 451 HA CYS 67 HA CYS 67 70.208 2.507 -5.506 452 1HB CYS 67 HB2 CYS 67 68.239 1.996 -3.695 453 2HB CYS 67 HB1 CYS 67 67.435 1.517 -5.185 454 H ILE 68 HN ILE 68 68.113 0.980 -6.992 455 HA ILE 68 HA ILE 68 67.361 2.923 -9.132 456 HB ILE 68 HB ILE 68 69.677 1.853 -9.416 457 1HG1 ILE 68 HG12 ILE 68 68.034 0.917 -11.704 458 2HG1 ILE 68 HG11 ILE 68 67.821 2.608 -11.248 459 1HG2 ILE 68 HG21 ILE 68 69.897 -0.419 -9.688 460 2HG2 ILE 68 HG22 ILE 68 68.292 -0.596 -10.394 461 3HG2 ILE 68 HG23 ILE 68 68.473 -0.429 -8.647 462 1HD1 ILE 68 HD1 ILE 68 69.607 2.457 -12.896 463 2HD1 ILE 68 HD1 ILE 68 70.440 1.240 -11.931 464 3HD1 ILE 68 HD1 ILE 68 70.307 2.895 -11.338 465 H ILE 69 HN ILE 69 66.193 1.431 -10.955 466 HA ILE 69 HA ILE 69 63.740 0.526 -10.011 467 HB ILE 69 HB ILE 69 63.719 -0.799 -12.163 468 1HG1 ILE 69 HG12 ILE 69 66.162 0.129 -13.271 469 2HG1 ILE 69 HG11 ILE 69 66.564 -0.622 -11.727 470 1HG2 ILE 69 HG21 ILE 69 64.882 1.548 -13.274 471 2HG2 ILE 69 HG22 ILE 69 64.097 2.022 -11.767 472 3HG2 ILE 69 HG23 ILE 69 63.171 1.205 -13.027 473 1HD1 ILE 69 HD1 ILE 69 65.810 -1.893 -14.202 474 2HD1 ILE 69 HD1 ILE 69 64.641 -2.303 -12.946 475 3HD1 ILE 69 HD1 ILE 69 66.355 -2.640 -12.700 476 H THR 70 HN THR 70 63.203 -1.144 -8.667 477 HA THR 70 HA THR 70 65.184 -3.279 -8.124 478 HB THR 70 HB THR 70 62.463 -2.943 -6.869 479 HG1 THR 70 HG1 THR 70 64.008 -1.600 -5.399 480 1HG2 THR 70 HG21 THR 70 65.071 -3.567 -5.508 481 2HG2 THR 70 HG22 THR 70 64.204 -4.832 -6.375 482 3HG2 THR 70 HG23 THR 70 63.436 -4.008 -5.018 483 H GLY 71 HN GLY 71 62.604 -4.901 -7.328 484 1HA GLY 71 HA2 GLY 71 61.038 -6.319 -8.462 485 2HA GLY 71 HA1 GLY 71 61.682 -5.751 -10.005 486 H GLY 72 HN GLY 72 63.873 -6.700 -7.496 487 1HA GLY 72 HA2 GLY 72 64.699 -9.041 -7.230 488 2HA GLY 72 HA1 GLY 72 64.438 -9.245 -8.966 489 H VAL 73 HN VAL 73 66.213 -7.102 -6.719 490 HA VAL 73 HA VAL 73 68.197 -6.461 -8.798 491 HB VAL 73 HB VAL 73 69.078 -5.010 -7.005 492 1HG1 VAL 73 HG11 VAL 73 66.191 -4.632 -6.564 493 2HG1 VAL 73 HG12 VAL 73 66.653 -4.776 -8.259 494 3HG1 VAL 73 HG13 VAL 73 67.377 -3.523 -7.249 495 1HG2 VAL 73 HG21 VAL 73 68.178 -5.067 -4.773 496 2HG2 VAL 73 HG22 VAL 73 68.632 -6.721 -5.181 497 3HG2 VAL 73 HG23 VAL 73 66.938 -6.230 -5.241 498 HA PRO 74 HA PRO 74 71.252 -9.424 -7.739 499 1HB PRO 74 HB2 PRO 74 73.553 -7.924 -7.768 500 2HB PRO 74 HB1 PRO 74 72.679 -8.385 -9.245 501 1HG PRO 74 HG2 PRO 74 72.606 -5.812 -7.734 502 2HG PRO 74 HG1 PRO 74 72.674 -6.090 -9.482 503 1HD PRO 74 HD2 PRO 74 70.382 -5.449 -8.224 504 2HD PRO 74 HD1 PRO 74 70.413 -6.526 -9.637 505 H ALA 75 HN ALA 75 71.766 -10.293 -5.752 506 HA ALA 75 HA ALA 75 71.360 -9.131 -3.270 507 1HB ALA 75 HB1 ALA 75 72.833 -11.380 -4.415 508 2HB ALA 75 HB2 ALA 75 71.897 -11.309 -2.922 509 3HB ALA 75 HB3 ALA 75 73.583 -10.795 -2.931 510 HA PRO 76 HA PRO 76 75.822 -7.474 -3.087 511 1HB PRO 76 HB2 PRO 76 77.479 -7.894 -5.219 512 2HB PRO 76 HB1 PRO 76 77.306 -9.066 -3.896 513 1HG PRO 76 HG2 PRO 76 76.141 -9.109 -6.626 514 2HG PRO 76 HG1 PRO 76 76.708 -10.447 -5.616 515 1HD PRO 76 HD2 PRO 76 74.060 -9.763 -5.977 516 2HD PRO 76 HD1 PRO 76 74.694 -10.691 -4.600 517 H SER 77 HN SER 77 74.594 -5.491 -3.434 518 HA SER 77 HA SER 77 74.178 -4.437 -6.131 519 1HB SER 77 HB2 SER 77 73.085 -4.108 -3.621 520 2HB SER 77 HB1 SER 77 74.008 -2.621 -3.820 521 HG SER 77 HG SER 77 72.198 -3.682 -5.735 522 H ALA 78 HN ALA 78 76.862 -4.865 -6.124 523 HA ALA 78 HA ALA 78 78.643 -2.988 -5.057 524 1HB ALA 78 HB1 ALA 78 78.404 -4.511 -7.639 525 2HB ALA 78 HB2 ALA 78 79.574 -4.715 -6.336 526 3HB ALA 78 HB3 ALA 78 79.726 -3.359 -7.451 527 H ALA 79 HN ALA 79 76.179 -2.580 -7.472 528 HA ALA 79 HA ALA 79 77.115 0.006 -8.493 529 1HB ALA 79 HB1 ALA 79 74.556 -0.230 -9.295 530 2HB ALA 79 HB2 ALA 79 74.838 -1.904 -8.811 531 3HB ALA 79 HB3 ALA 79 75.853 -1.158 -10.050 532 H CYS 80 HN CYS 80 73.924 -0.750 -7.159 533 HA CYS 80 HA CYS 80 73.427 1.860 -6.098 534 1HB CYS 80 HB2 CYS 80 71.612 0.417 -6.626 535 2HB CYS 80 HB1 CYS 80 72.311 -0.924 -5.727 536 H LYS 81 HN LYS 81 73.054 2.226 -3.656 537 HA LYS 81 HA LYS 81 75.416 1.192 -2.166 538 1HB LYS 81 HB2 LYS 81 73.457 3.394 -1.469 539 2HB LYS 81 HB1 LYS 81 75.071 3.154 -0.798 540 1HG LYS 81 HG2 LYS 81 74.528 3.698 -3.729 541 2HG LYS 81 HG1 LYS 81 74.959 4.949 -2.564 542 1HD LYS 81 HD2 LYS 81 77.144 4.325 -2.524 543 2HD LYS 81 HD1 LYS 81 76.745 2.605 -2.522 544 1HE LYS 81 HE2 LYS 81 76.790 2.455 -4.823 545 2HE LYS 81 HE1 LYS 81 76.200 4.114 -5.044 546 1HZ LYS 81 HZ1 LYS 81 78.789 3.359 -5.263 547 2HZ LYS 81 HZ2 LYS 81 78.728 3.942 -3.670 548 3HZ LYS 81 HZ3 LYS 81 78.264 4.943 -4.961 549 H ILE 82 HN ILE 82 74.958 -0.637 -1.003 550 HA ILE 82 HA ILE 82 72.352 -0.738 0.489 551 HB ILE 82 HB ILE 82 72.444 -2.315 -1.375 552 1HG1 ILE 82 HG12 ILE 82 71.582 -3.002 0.978 553 2HG1 ILE 82 HG11 ILE 82 71.866 -4.277 -0.206 554 1HG2 ILE 82 HG21 ILE 82 74.227 -4.013 -1.513 555 2HG2 ILE 82 HG22 ILE 82 75.021 -3.294 -0.113 556 3HG2 ILE 82 HG23 ILE 82 74.894 -2.384 -1.619 557 1HD1 ILE 82 HD1 ILE 82 74.305 -3.738 1.248 558 2HD1 ILE 82 HD1 ILE 82 73.395 -5.243 1.130 559 3HD1 ILE 82 HD1 ILE 82 72.990 -4.062 2.377 560 H SER 83 HN SER 83 72.507 -1.953 2.563 561 HA SER 83 HA SER 83 75.212 -2.462 3.633 562 1HB SER 83 HB2 SER 83 73.605 -0.585 5.267 563 2HB SER 83 HB1 SER 83 75.339 -0.607 4.962 564 HG SER 83 HG SER 83 75.010 0.812 3.465 565 H GLY 84 HN GLY 84 74.179 -4.613 3.808 566 1HA GLY 84 HA2 GLY 84 73.339 -6.270 5.263 567 2HA GLY 84 HA1 GLY 84 72.954 -4.995 6.421 568 H CYS 85 HN CYS 85 71.875 -5.895 3.122 569 HA CYS 85 HA CYS 85 69.058 -5.820 4.129 570 1HB CYS 85 HB2 CYS 85 70.270 -3.811 2.658 571 2HB CYS 85 HB1 CYS 85 69.463 -4.776 1.420 572 H THR 86 HN THR 86 67.574 -6.997 2.729 573 HA THR 86 HA THR 86 68.929 -9.171 1.184 574 HB THR 86 HB THR 86 66.170 -9.682 1.675 575 HG1 THR 86 HG1 THR 86 67.370 -9.174 4.124 576 1HG2 THR 86 HG21 THR 86 66.997 -11.594 2.710 577 2HG2 THR 86 HG22 THR 86 68.378 -10.742 3.402 578 3HG2 THR 86 HG23 THR 86 68.356 -11.136 1.682 579 H PHE 87 HN PHE 87 67.984 -9.778 -0.875 580 HA PHE 87 HA PHE 87 66.105 -7.772 -2.067 581 1HB PHE 87 HB2 PHE 87 68.678 -8.901 -3.217 582 2HB PHE 87 HB1 PHE 87 67.553 -7.878 -4.108 583 HD1 PHE 87 HD1 PHE 87 70.571 -7.439 -3.210 584 HD2 PHE 87 HD2 PHE 87 66.770 -6.060 -1.761 585 HE1 PHE 87 HE1 PHE 87 71.663 -5.423 -2.267 586 HE2 PHE 87 HE2 PHE 87 67.862 -4.043 -0.821 587 HZ PHE 87 HZ PHE 87 70.306 -3.725 -1.075 588 H SER 88 HN SER 88 64.573 -8.705 -3.460 589 HA SER 88 HA SER 88 64.862 -11.275 -4.715 590 1HB SER 88 HB2 SER 88 64.817 -12.133 -2.471 591 2HB SER 88 HB1 SER 88 63.460 -11.096 -2.039 592 HG SER 88 HG SER 88 63.148 -12.831 -4.201 593 H ALA 89 HN ALA 89 63.522 -11.024 -6.444 594 HA ALA 89 HA ALA 89 61.669 -9.075 -6.989 595 1HB ALA 89 HB1 ALA 89 60.782 -10.624 -8.617 596 2HB ALA 89 HB2 ALA 89 61.281 -12.009 -7.647 597 3HB ALA 89 HB3 ALA 89 62.495 -10.994 -8.428 598 H ASN 90 HN ASN 90 59.548 -8.602 -6.414 599 HA ASN 90 HA ASN 90 58.234 -10.475 -4.474 600 1HB ASN 90 HB2 ASN 90 59.053 -8.525 -3.329 601 2HB ASN 90 HB1 ASN 90 58.431 -7.450 -4.583 602 1HD2 ASN 90 HD2 ASN 90 55.944 -7.525 -4.854 603 2HD2 ASN 90 HD2 ASN 90 55.015 -7.742 -3.450 Start of MODEL 18 1 1H ASP 1 HT1 ASP 1 43.520 9.041 2.485 2 2H ASP 1 HT2 ASP 1 43.964 10.606 1.999 3 3H ASP 1 HT3 ASP 1 43.618 10.286 3.631 4 HA ASP 1 HA ASP 1 45.967 9.362 2.064 5 1HB ASP 1 HB2 ASP 1 45.262 11.456 3.998 6 2HB ASP 1 HB1 ASP 1 46.693 10.540 4.471 7 H GLY 2 HN GLY 2 47.438 8.830 4.478 8 1HA GLY 2 HA2 GLY 2 45.886 6.553 5.644 9 2HA GLY 2 HA1 GLY 2 47.546 6.326 5.090 10 H SER 3 HN SER 3 48.647 5.981 6.982 11 HA SER 3 HA SER 3 48.078 7.205 9.505 12 1HB SER 3 HB2 SER 3 50.524 5.904 8.278 13 2HB SER 3 HB1 SER 3 50.441 6.365 9.976 14 HG SER 3 HG SER 3 48.660 4.623 8.605 15 H CYS 4 HN CYS 4 49.834 8.331 6.716 16 HA CYS 4 HA CYS 4 49.987 11.034 7.540 17 1HB CYS 4 HB2 CYS 4 52.555 10.977 8.016 18 2HB CYS 4 HB1 CYS 4 51.457 10.473 9.299 19 H THR 5 HN THR 5 51.982 8.538 5.944 20 HA THR 5 HA THR 5 51.826 10.113 3.421 21 HB THR 5 HB THR 5 54.163 9.588 5.144 22 HG1 THR 5 HG1 THR 5 53.302 11.629 4.338 23 1HG2 THR 5 HG21 THR 5 54.950 8.005 3.599 24 2HG2 THR 5 HG22 THR 5 55.650 9.507 2.996 25 3HG2 THR 5 HG23 THR 5 54.212 8.834 2.229 26 H ASN 6 HN ASN 6 50.422 8.487 2.593 27 HA ASN 6 HA ASN 6 51.616 6.233 1.320 28 1HB ASN 6 HB2 ASN 6 51.278 5.937 4.088 29 2HB ASN 6 HB1 ASN 6 49.938 5.035 3.379 30 1HD2 ASN 6 HD2 ASN 6 50.843 2.928 3.807 31 2HD2 ASN 6 HD2 ASN 6 52.240 2.366 3.021 32 H THR 7 HN THR 7 50.239 6.352 -0.426 33 HA THR 7 HA THR 7 47.322 6.728 0.062 34 HB THR 7 HB THR 7 47.488 7.045 -2.524 35 HG1 THR 7 HG1 THR 7 49.601 6.110 -2.613 36 1HG2 THR 7 HG21 THR 7 48.865 8.915 -0.576 37 2HG2 THR 7 HG22 THR 7 47.145 8.895 -0.970 38 3HG2 THR 7 HG23 THR 7 48.326 9.369 -2.192 39 H ASN 8 HN ASN 8 46.380 4.728 0.394 40 HA ASN 8 HA ASN 8 45.539 2.603 -0.223 41 1HB ASN 8 HB2 ASN 8 46.331 3.952 -2.597 42 2HB ASN 8 HB1 ASN 8 46.890 2.286 -2.744 43 1HD2 ASN 8 HD2 ASN 8 44.882 0.890 -1.364 44 2HD2 ASN 8 HD2 ASN 8 43.395 1.101 -2.156 45 H SER 9 HN SER 9 48.621 3.297 0.559 46 HA SER 9 HA SER 9 49.646 0.519 0.062 47 1HB SER 9 HB2 SER 9 50.738 3.222 -0.027 48 2HB SER 9 HB1 SER 9 51.709 2.163 0.991 49 HG SER 9 HG SER 9 51.000 1.875 -1.730 50 H GLN 10 HN GLN 10 51.517 0.267 1.992 51 HA GLN 10 HA GLN 10 50.252 0.901 4.619 52 1HB GLN 10 HB2 GLN 10 49.867 -1.496 3.361 53 2HB GLN 10 HB1 GLN 10 51.332 -1.842 4.283 54 1HG GLN 10 HG2 GLN 10 49.658 -0.422 6.048 55 2HG GLN 10 HG1 GLN 10 48.606 -1.580 5.231 56 1HE2 GLN 10 HE21 GLN 10 50.669 -1.281 7.865 57 2HE2 GLN 10 HE22 GLN 10 51.043 -2.922 8.094 58 H LEU 11 HN LEU 11 51.980 2.234 5.234 59 HA LEU 11 HA LEU 11 54.757 1.281 4.892 60 1HB LEU 11 HB2 LEU 11 53.877 3.624 4.428 61 2HB LEU 11 HB1 LEU 11 53.668 3.807 6.165 62 HG LEU 11 HG LEU 11 55.897 4.109 6.525 63 1HD1 LEU 11 HD1 LEU 11 57.671 2.947 5.085 64 2HD1 LEU 11 HD1 LEU 11 56.346 2.032 4.371 65 3HD1 LEU 11 HD1 LEU 11 56.680 1.901 6.100 66 1HD2 LEU 11 HD2 LEU 11 55.932 4.469 3.518 67 2HD2 LEU 11 HD2 LEU 11 56.998 5.247 4.687 68 3HD2 LEU 11 HD2 LEU 11 55.282 5.651 4.653 69 H SER 12 HN SER 12 53.071 -0.230 6.736 70 HA SER 12 HA SER 12 53.192 -1.113 8.925 71 1HB SER 12 HB2 SER 12 55.608 -1.102 8.175 72 2HB SER 12 HB1 SER 12 55.782 0.464 8.959 73 HG SER 12 HG SER 12 55.088 -0.574 10.912 74 H ALA 13 HN ALA 13 52.757 -0.437 11.123 75 HA ALA 13 HA ALA 13 51.858 2.367 11.323 76 1HB ALA 13 HB1 ALA 13 51.133 -0.194 12.327 77 2HB ALA 13 HB2 ALA 13 50.293 1.338 12.576 78 3HB ALA 13 HB3 ALA 13 51.531 0.813 13.719 79 H ASN 14 HN ASN 14 54.828 1.483 11.425 80 HA ASN 14 HA ASN 14 55.542 3.248 13.675 81 1HB ASN 14 HB2 ASN 14 56.975 1.438 14.686 82 2HB ASN 14 HB1 ASN 14 55.244 1.112 14.784 83 1HD2 ASN 14 HD2 ASN 14 55.554 -1.227 14.795 84 2HD2 ASN 14 HD2 ASN 14 56.060 -2.060 13.405 85 H SER 15 HN SER 15 55.976 2.765 10.593 86 HA SER 15 HA SER 15 58.965 2.750 10.574 87 1HB SER 15 HB2 SER 15 58.753 2.121 8.316 88 2HB SER 15 HB1 SER 15 57.348 1.361 9.052 89 HG SER 15 HG SER 15 57.526 3.645 7.433 90 H LYS 16 HN LYS 16 59.347 4.334 8.276 91 HA LYS 16 HA LYS 16 58.565 7.035 9.318 92 1HB LYS 16 HB2 LYS 16 60.992 6.376 9.180 93 2HB LYS 16 HB1 LYS 16 60.803 6.219 7.434 94 1HG LYS 16 HG2 LYS 16 61.476 8.409 7.460 95 2HG LYS 16 HG1 LYS 16 59.764 8.692 7.774 96 1HD LYS 16 HD2 LYS 16 60.182 8.714 10.187 97 2HD LYS 16 HD1 LYS 16 61.888 8.361 9.913 98 1HE LYS 16 HE2 LYS 16 61.853 10.525 8.436 99 2HE LYS 16 HE1 LYS 16 60.376 10.906 9.345 100 1HZ LYS 16 HZ1 LYS 16 61.531 10.621 11.394 101 2HZ LYS 16 HZ2 LYS 16 62.453 11.685 10.443 102 3HZ LYS 16 HZ3 LYS 16 62.926 10.061 10.610 103 H CYS 17 HN CYS 17 56.809 7.788 8.179 104 HA CYS 17 HA CYS 17 56.500 6.995 5.334 105 1HB CYS 17 HB2 CYS 17 54.212 7.844 5.676 106 2HB CYS 17 HB1 CYS 17 54.652 6.716 6.954 107 H GLU 18 HN GLU 18 58.197 8.386 4.495 108 HA GLU 18 HA GLU 18 57.618 11.320 4.664 109 1HB GLU 18 HB2 GLU 18 59.951 9.739 4.901 110 2HB GLU 18 HB1 GLU 18 60.098 10.586 3.360 111 1HG GLU 18 HG2 GLU 18 59.102 12.233 5.606 112 2HG GLU 18 HG1 GLU 18 60.773 11.688 5.760 113 H LYS 19 HN LYS 19 56.730 12.243 2.852 114 HA LYS 19 HA LYS 19 56.206 12.594 0.566 115 1HB LYS 19 HB2 LYS 19 58.740 11.594 0.614 116 2HB LYS 19 HB1 LYS 19 57.920 10.344 -0.321 117 1HG LYS 19 HG2 LYS 19 57.275 11.846 -2.009 118 2HG LYS 19 HG1 LYS 19 57.504 13.255 -0.971 119 1HD LYS 19 HD2 LYS 19 60.008 12.424 -0.909 120 2HD LYS 19 HD1 LYS 19 59.559 11.607 -2.405 121 1HE LYS 19 HE2 LYS 19 58.544 13.986 -3.022 122 2HE LYS 19 HE1 LYS 19 59.742 14.544 -1.838 123 1HZ LYS 19 HZ1 LYS 19 61.455 13.349 -2.983 124 2HZ LYS 19 HZ2 LYS 19 60.659 14.339 -4.111 125 3HZ LYS 19 HZ3 LYS 19 60.341 12.671 -4.066 126 H SER 20 HN SER 20 54.202 11.880 -0.031 127 HA SER 20 HA SER 20 53.060 9.379 0.654 128 1HB SER 20 HB2 SER 20 52.022 10.560 -1.808 129 2HB SER 20 HB1 SER 20 51.246 10.407 -0.235 130 HG SER 20 HG SER 20 51.765 12.398 0.169 131 H THR 21 HN THR 21 52.824 7.435 -0.510 132 HA THR 21 HA THR 21 54.844 6.948 -2.622 133 HB THR 21 HB THR 21 54.487 5.454 -0.640 134 HG1 THR 21 HG1 THR 21 54.982 4.792 -3.011 135 1HG2 THR 21 HG21 THR 21 52.348 5.085 -0.037 136 2HG2 THR 21 HG22 THR 21 52.234 3.988 -1.413 137 3HG2 THR 21 HG23 THR 21 51.746 5.674 -1.587 138 H LEU 22 HN LEU 22 53.161 4.735 -3.709 139 HA LEU 22 HA LEU 22 51.375 6.393 -5.459 140 1HB LEU 22 HB2 LEU 22 53.291 4.159 -5.831 141 2HB LEU 22 HB1 LEU 22 51.810 4.047 -6.784 142 HG LEU 22 HG LEU 22 52.355 6.623 -7.235 143 1HD1 LEU 22 HD1 LEU 22 55.142 5.847 -7.495 144 2HD1 LEU 22 HD1 LEU 22 54.625 5.791 -5.809 145 3HD1 LEU 22 HD1 LEU 22 54.451 7.281 -6.735 146 1HD2 LEU 22 HD2 LEU 22 52.522 5.775 -9.318 147 2HD2 LEU 22 HD2 LEU 22 52.680 4.165 -8.619 148 3HD2 LEU 22 HD2 LEU 22 54.120 5.125 -8.953 149 H THR 23 HN THR 23 51.464 2.873 -5.040 150 HA THR 23 HA THR 23 49.203 2.622 -3.298 151 HB THR 23 HB THR 23 47.921 3.696 -4.999 152 HG1 THR 23 HG1 THR 23 46.671 1.916 -5.835 153 1HG2 THR 23 HG21 THR 23 49.722 3.448 -6.746 154 2HG2 THR 23 HG22 THR 23 48.086 3.180 -7.350 155 3HG2 THR 23 HG23 THR 23 49.142 1.805 -7.023 156 H ASN 24 HN ASN 24 51.773 1.300 -3.969 157 HA ASN 24 HA ASN 24 50.774 -1.479 -4.015 158 1HB ASN 24 HB2 ASN 24 52.092 -0.072 -6.277 159 2HB ASN 24 HB1 ASN 24 52.684 -1.697 -5.937 160 1HD2 ASN 24 HD2 ASN 24 50.543 -0.209 -7.907 161 2HD2 ASN 24 HD2 ASN 24 49.337 -1.399 -8.010 162 H CYS 25 HN CYS 25 51.931 -0.553 -1.805 163 HA CYS 25 HA CYS 25 54.580 -1.885 -1.778 164 1HB CYS 25 HB2 CYS 25 54.085 1.050 -1.582 165 2HB CYS 25 HB1 CYS 25 55.298 0.358 -0.506 166 H TYR 26 HN TYR 26 54.218 -3.251 -0.109 167 HA TYR 26 HA TYR 26 52.724 -2.293 2.290 168 1HB TYR 26 HB2 TYR 26 53.119 -4.809 0.828 169 2HB TYR 26 HB1 TYR 26 53.319 -4.999 2.570 170 HD1 TYR 26 HD1 TYR 26 51.467 -4.707 4.092 171 HD2 TYR 26 HD2 TYR 26 50.987 -3.950 -0.110 172 HE1 TYR 26 HE1 TYR 26 49.004 -4.632 4.385 173 HE2 TYR 26 HE2 TYR 26 48.527 -3.874 0.183 174 HH TYR 26 HH TYR 26 47.026 -3.449 3.018 175 H VAL 27 HN VAL 27 53.911 -1.808 4.126 176 HA VAL 27 HA VAL 27 56.736 -2.822 4.217 177 HB VAL 27 HB VAL 27 55.721 -0.210 5.361 178 1HG1 VAL 27 HG11 VAL 27 57.862 0.041 5.990 179 2HG1 VAL 27 HG12 VAL 27 58.408 -0.182 4.324 180 3HG1 VAL 27 HG13 VAL 27 58.207 -1.578 5.384 181 1HG2 VAL 27 HG21 VAL 27 55.278 0.396 3.211 182 2HG2 VAL 27 HG22 VAL 27 56.182 -0.963 2.545 183 3HG2 VAL 27 HG23 VAL 27 57.032 0.493 3.057 184 H ASP 28 HN ASP 28 57.610 -3.026 6.421 185 HA ASP 28 HA ASP 28 55.653 -3.081 8.652 186 1HB ASP 28 HB2 ASP 28 55.865 -5.295 7.202 187 2HB ASP 28 HB1 ASP 28 57.343 -5.512 8.138 188 H LYS 29 HN LYS 29 56.767 -1.915 10.201 189 HA LYS 29 HA LYS 29 58.577 -1.137 11.518 190 1HB LYS 29 HB2 LYS 29 59.282 -4.017 10.882 191 2HB LYS 29 HB1 LYS 29 60.194 -3.046 12.040 192 1HG LYS 29 HG2 LYS 29 58.303 -2.783 13.464 193 2HG LYS 29 HG1 LYS 29 57.198 -3.379 12.224 194 1HD LYS 29 HD2 LYS 29 58.008 -5.611 12.429 195 2HD LYS 29 HD1 LYS 29 59.415 -5.093 13.360 196 1HE LYS 29 HE2 LYS 29 57.241 -4.123 14.834 197 2HE LYS 29 HE1 LYS 29 56.737 -5.744 14.312 198 1HZ LYS 29 HZ1 LYS 29 58.032 -6.025 16.268 199 2HZ LYS 29 HZ2 LYS 29 59.256 -4.996 15.695 200 3HZ LYS 29 HZ3 LYS 29 59.006 -6.512 14.969 201 H SER 30 HN SER 30 58.944 0.116 9.267 202 HA SER 30 HA SER 30 61.764 -0.467 8.426 203 1HB SER 30 HB2 SER 30 59.589 0.560 6.607 204 2HB SER 30 HB1 SER 30 61.125 -0.184 6.157 205 HG SER 30 HG SER 30 60.279 -2.100 6.457 206 H GLU 31 HN GLU 31 62.261 1.605 6.821 207 HA GLU 31 HA GLU 31 61.405 4.128 8.165 208 1HB GLU 31 HB2 GLU 31 63.585 2.987 9.084 209 2HB GLU 31 HB1 GLU 31 64.310 3.559 7.581 210 1HG GLU 31 HG2 GLU 31 62.712 5.629 8.870 211 2HG GLU 31 HG1 GLU 31 64.002 5.045 9.920 212 H VAL 32 HN VAL 32 60.382 4.860 6.251 213 HA VAL 32 HA VAL 32 61.984 4.820 3.733 214 HB VAL 32 HB VAL 32 59.053 5.257 4.370 215 1HG1 VAL 32 HG11 VAL 32 59.069 4.750 1.738 216 2HG1 VAL 32 HG12 VAL 32 60.646 5.532 1.862 217 3HG1 VAL 32 HG13 VAL 32 59.191 6.392 2.372 218 1HG2 VAL 32 HG21 VAL 32 59.883 2.944 4.703 219 2HG2 VAL 32 HG22 VAL 32 60.525 2.948 3.059 220 3HG2 VAL 32 HG23 VAL 32 58.784 3.041 3.325 221 H TYR 33 HN TYR 33 62.279 6.719 2.525 222 HA TYR 33 HA TYR 33 61.604 9.309 3.876 223 1HB TYR 33 HB2 TYR 33 64.111 8.122 3.541 224 2HB TYR 33 HB1 TYR 33 64.032 9.291 2.226 225 HD1 TYR 33 HD1 TYR 33 63.942 8.835 5.885 226 HD2 TYR 33 HD2 TYR 33 63.905 11.689 2.674 227 HE1 TYR 33 HE1 TYR 33 64.377 10.661 7.505 228 HE2 TYR 33 HE2 TYR 33 64.339 13.517 4.294 229 HH TYR 33 HH TYR 33 64.727 14.041 6.414 230 H GLY 34 HN GLY 34 62.996 10.593 1.463 231 1HA GLY 34 HA2 GLY 34 60.664 10.837 -0.204 232 2HA GLY 34 HA1 GLY 34 62.270 11.449 -0.608 233 H THR 35 HN THR 35 60.532 8.334 -0.352 234 HA THR 35 HA THR 35 62.140 7.347 -2.689 235 HB THR 35 HB THR 35 61.013 6.135 -0.177 236 HG1 THR 35 HG1 THR 35 63.069 6.195 0.149 237 1HG2 THR 35 HG21 THR 35 61.406 4.756 -2.819 238 2HG2 THR 35 HG22 THR 35 60.111 4.550 -1.640 239 3HG2 THR 35 HG23 THR 35 61.712 3.886 -1.316 240 H THR 36 HN THR 36 60.946 6.011 -4.247 241 HA THR 36 HA THR 36 58.036 6.722 -4.336 242 HB THR 36 HB THR 36 58.985 7.705 -6.220 243 HG1 THR 36 HG1 THR 36 58.251 6.527 -7.870 244 1HG2 THR 36 HG21 THR 36 60.834 6.683 -7.526 245 2HG2 THR 36 HG22 THR 36 60.852 5.324 -6.402 246 3HG2 THR 36 HG23 THR 36 61.279 6.940 -5.838 247 H CYS 37 HN CYS 37 56.732 5.049 -5.636 248 HA CYS 37 HA CYS 37 57.700 2.270 -5.084 249 1HB CYS 37 HB2 CYS 37 56.226 2.990 -3.284 250 2HB CYS 37 HB1 CYS 37 55.032 3.568 -4.447 251 H THR 38 HN THR 38 57.178 0.794 -6.701 252 HA THR 38 HA THR 38 55.133 1.455 -8.734 253 HB THR 38 HB THR 38 58.064 1.070 -9.418 254 HG1 THR 38 HG1 THR 38 56.857 3.460 -9.994 255 1HG2 THR 38 HG21 THR 38 57.407 0.918 -11.567 256 2HG2 THR 38 HG22 THR 38 56.341 2.315 -11.406 257 3HG2 THR 38 HG23 THR 38 55.764 0.709 -10.960 258 H GLY 39 HN GLY 39 56.062 -0.727 -6.688 259 1HA GLY 39 HA2 GLY 39 54.990 -3.014 -7.275 260 2HA GLY 39 HA1 GLY 39 56.158 -3.024 -8.597 261 H SER 40 HN SER 40 56.097 -2.582 -5.042 262 HA SER 40 HA SER 40 58.362 -4.502 -4.813 263 1HB SER 40 HB2 SER 40 59.889 -2.870 -4.515 264 2HB SER 40 HB1 SER 40 58.652 -1.682 -4.916 265 HG SER 40 HG SER 40 59.487 -2.644 -2.404 266 H ARG 41 HN ARG 41 58.943 -4.519 -2.275 267 HA ARG 41 HA ARG 41 56.530 -4.092 -0.587 268 1HB ARG 41 HB2 ARG 41 56.095 -6.300 -1.274 269 2HB ARG 41 HB1 ARG 41 57.809 -6.712 -1.350 270 1HG ARG 41 HG2 ARG 41 56.785 -7.782 0.606 271 2HG ARG 41 HG1 ARG 41 57.937 -6.552 1.128 272 1HD ARG 41 HD2 ARG 41 56.284 -5.548 2.312 273 2HD ARG 41 HD1 ARG 41 55.403 -5.264 0.795 274 HE ARG 41 HE ARG 41 54.173 -7.295 1.153 275 1HH1 ARG 41 HH1 ARG 41 56.515 -8.907 2.207 276 2HH1 ARG 41 HH1 ARG 41 56.024 -9.196 3.842 277 1HH2 ARG 41 HH2 ARG 41 53.585 -6.731 3.826 278 2HH2 ARG 41 HH2 ARG 41 54.365 -7.965 4.760 279 H PHE 42 HN PHE 42 57.124 -3.552 1.511 280 HA PHE 42 HA PHE 42 60.057 -3.688 2.134 281 1HB PHE 42 HB2 PHE 42 57.804 -1.820 2.818 282 2HB PHE 42 HB1 PHE 42 59.233 -1.890 3.848 283 HD1 PHE 42 HD1 PHE 42 60.679 -0.119 3.408 284 HD2 PHE 42 HD2 PHE 42 58.700 -2.092 0.142 285 HE1 PHE 42 HE1 PHE 42 61.913 1.297 1.792 286 HE2 PHE 42 HE2 PHE 42 59.945 -0.675 -1.470 287 HZ PHE 42 HZ PHE 42 61.554 1.021 -0.641 288 H ASP 43 HN ASP 43 60.602 -4.101 4.409 289 HA ASP 43 HA ASP 43 58.734 -5.077 6.364 290 1HB ASP 43 HB2 ASP 43 58.900 -6.755 4.255 291 2HB ASP 43 HB1 ASP 43 60.276 -7.348 5.187 292 H GLY 44 HN GLY 44 59.985 -4.409 8.107 293 1HA GLY 44 HA2 GLY 44 61.910 -4.047 9.423 294 2HA GLY 44 HA1 GLY 44 62.353 -5.684 8.923 295 H VAL 45 HN VAL 45 62.207 -2.411 7.495 296 HA VAL 45 HA VAL 45 64.976 -2.802 6.443 297 HB VAL 45 HB VAL 45 62.383 -2.470 4.956 298 1HG1 VAL 45 HG11 VAL 45 63.247 -0.790 3.714 299 2HG1 VAL 45 HG12 VAL 45 64.322 -2.014 3.028 300 3HG1 VAL 45 HG13 VAL 45 64.864 -1.026 4.383 301 1HG2 VAL 45 HG21 VAL 45 63.231 -4.689 4.972 302 2HG2 VAL 45 HG22 VAL 45 64.885 -4.144 4.694 303 3HG2 VAL 45 HG23 VAL 45 63.694 -4.047 3.397 304 H THR 46 HN THR 46 66.127 -0.893 6.510 305 HA THR 46 HA THR 46 64.603 1.623 7.102 306 HB THR 46 HB THR 46 67.416 0.771 7.865 307 HG1 THR 46 HG1 THR 46 66.532 0.495 9.890 308 1HG2 THR 46 HG21 THR 46 66.248 2.947 9.373 309 2HG2 THR 46 HG22 THR 46 66.275 3.330 7.651 310 3HG2 THR 46 HG23 THR 46 67.771 2.904 8.485 311 H ILE 47 HN ILE 47 64.451 2.415 4.964 312 HA ILE 47 HA ILE 47 67.033 2.756 3.475 313 HB ILE 47 HB ILE 47 65.552 2.762 1.482 314 1HG1 ILE 47 HG12 ILE 47 63.167 1.888 2.952 315 2HG1 ILE 47 HG11 ILE 47 63.625 3.550 3.325 316 1HG2 ILE 47 HG21 ILE 47 66.314 0.597 2.080 317 2HG2 ILE 47 HG22 ILE 47 64.573 0.415 1.860 318 3HG2 ILE 47 HG23 ILE 47 65.251 0.527 3.484 319 1HD1 ILE 47 HD1 ILE 47 63.757 4.010 0.861 320 2HD1 ILE 47 HD1 ILE 47 62.134 3.588 1.409 321 3HD1 ILE 47 HD1 ILE 47 63.120 2.390 0.568 322 H THR 48 HN THR 48 66.860 4.794 1.944 323 HA THR 48 HA THR 48 65.597 7.027 3.502 324 HB THR 48 HB THR 48 68.213 6.584 3.353 325 HG1 THR 48 HG1 THR 48 68.460 8.738 3.735 326 1HG2 THR 48 HG21 THR 48 69.316 7.416 1.477 327 2HG2 THR 48 HG22 THR 48 67.942 8.414 0.994 328 3HG2 THR 48 HG23 THR 48 67.897 6.671 0.737 329 H THR 49 HN THR 49 66.188 9.038 1.599 330 HA THR 49 HA THR 49 63.994 8.860 -0.224 331 HB THR 49 HB THR 49 66.500 10.552 -0.036 332 HG1 THR 49 HG1 THR 49 64.938 12.080 0.650 333 1HG2 THR 49 HG21 THR 49 64.129 11.020 -1.860 334 2HG2 THR 49 HG22 THR 49 65.690 10.402 -2.404 335 3HG2 THR 49 HG23 THR 49 65.572 12.024 -1.720 336 H SER 50 HN SER 50 64.200 6.903 -1.476 337 HA SER 50 HA SER 50 66.314 7.047 -3.585 338 1HB SER 50 HB2 SER 50 66.373 4.470 -3.233 339 2HB SER 50 HB1 SER 50 67.200 5.480 -2.050 340 HG SER 50 HG SER 50 65.841 4.802 -0.608 341 H THR 51 HN THR 51 65.718 5.980 -5.563 342 HA THR 51 HA THR 51 62.782 5.745 -5.932 343 HB THR 51 HB THR 51 63.273 6.109 -8.236 344 HG1 THR 51 HG1 THR 51 65.321 5.791 -9.074 345 1HG2 THR 51 HG21 THR 51 65.525 7.752 -7.675 346 2HG2 THR 51 HG22 THR 51 64.492 7.775 -6.247 347 3HG2 THR 51 HG23 THR 51 63.836 8.240 -7.815 348 H SER 52 HN SER 52 63.494 3.650 -4.468 349 HA SER 52 HA SER 52 64.007 1.387 -6.364 350 1HB SER 52 HB2 SER 52 65.410 2.117 -4.181 351 2HB SER 52 HB1 SER 52 64.209 1.087 -3.407 352 HG SER 52 HG SER 52 65.903 -0.206 -4.045 353 H THR 53 HN THR 53 62.386 -0.103 -6.601 354 HA THR 53 HA THR 53 60.532 -0.855 -4.557 355 HB THR 53 HB THR 53 59.484 1.234 -4.699 356 HG1 THR 53 HG1 THR 53 57.748 0.098 -5.068 357 1HG2 THR 53 HG21 THR 53 60.460 2.492 -6.346 358 2HG2 THR 53 HG22 THR 53 58.988 2.059 -7.217 359 3HG2 THR 53 HG23 THR 53 60.477 1.155 -7.499 360 H GLY 54 HN GLY 54 61.521 -2.769 -5.711 361 1HA GLY 54 HA2 GLY 54 59.792 -3.555 -8.016 362 2HA GLY 54 HA1 GLY 54 61.524 -3.884 -8.046 363 H SER 55 HN SER 55 62.247 -4.959 -5.827 364 HA SER 55 HA SER 55 60.494 -7.342 -5.460 365 1HB SER 55 HB2 SER 55 62.642 -8.318 -4.622 366 2HB SER 55 HB1 SER 55 62.762 -7.710 -6.265 367 HG SER 55 HG SER 55 63.963 -6.845 -3.943 368 H ARG 56 HN ARG 56 61.644 -8.206 -3.030 369 HA ARG 56 HA ARG 56 60.574 -6.168 -1.102 370 1HB ARG 56 HB2 ARG 56 59.223 -8.194 -1.323 371 2HB ARG 56 HB1 ARG 56 60.648 -9.205 -1.087 372 1HG ARG 56 HG2 ARG 56 60.473 -7.361 1.103 373 2HG ARG 56 HG1 ARG 56 58.908 -8.151 0.904 374 1HD ARG 56 HD2 ARG 56 60.401 -10.336 0.653 375 2HD ARG 56 HD1 ARG 56 61.563 -9.370 1.584 376 HE ARG 56 HE ARG 56 58.889 -9.190 2.697 377 1HH1 ARG 56 HH1 ARG 56 61.676 -9.485 4.055 378 2HH1 ARG 56 HH1 ARG 56 61.447 -10.991 4.880 379 1HH2 ARG 56 HH2 ARG 56 58.609 -11.852 3.087 380 2HH2 ARG 56 HH2 ARG 56 59.714 -12.329 4.333 381 H ILE 57 HN ILE 57 62.154 -5.324 0.245 382 HA ILE 57 HA ILE 57 64.734 -6.802 0.510 383 HB ILE 57 HB ILE 57 63.811 -3.973 1.089 384 1HG1 ILE 57 HG12 ILE 57 65.518 -5.341 -0.972 385 2HG1 ILE 57 HG11 ILE 57 64.312 -4.073 -1.189 386 1HG2 ILE 57 HG21 ILE 57 65.373 -4.719 2.863 387 2HG2 ILE 57 HG22 ILE 57 66.130 -3.521 1.814 388 3HG2 ILE 57 HG23 ILE 57 66.526 -5.231 1.625 389 1HD1 ILE 57 HD1 ILE 57 67.043 -3.717 0.085 390 2HD1 ILE 57 HD1 ILE 57 65.838 -2.442 -0.111 391 3HD1 ILE 57 HD1 ILE 57 66.586 -3.177 -1.532 392 H SER 58 HN SER 58 65.708 -6.860 2.712 393 HA SER 58 HA SER 58 63.780 -6.683 4.974 394 1HB SER 58 HB2 SER 58 65.233 -9.143 5.196 395 2HB SER 58 HB1 SER 58 63.494 -8.920 5.037 396 HG SER 58 HG SER 58 63.734 -9.727 3.120 397 H GLY 59 HN GLY 59 64.882 -6.487 7.031 398 1HA GLY 59 HA2 GLY 59 67.505 -6.951 7.695 399 2HA GLY 59 HA1 GLY 59 67.605 -5.441 6.788 400 HA PRO 60 HA PRO 60 65.464 -4.782 11.022 401 1HB PRO 60 HB2 PRO 60 67.020 -5.853 13.010 402 2HB PRO 60 HB1 PRO 60 65.653 -6.720 12.283 403 1HG PRO 60 HG2 PRO 60 68.564 -7.038 11.803 404 2HG PRO 60 HG1 PRO 60 67.279 -8.254 11.822 405 1HD PRO 60 HD2 PRO 60 68.398 -7.206 9.536 406 2HD PRO 60 HD1 PRO 60 66.784 -7.943 9.619 407 H GLY 61 HN GLY 61 68.480 -4.538 9.626 408 1HA GLY 61 HA2 GLY 61 69.004 -1.943 10.875 409 2HA GLY 61 HA1 GLY 61 70.262 -3.160 11.125 410 H CYS 62 HN CYS 62 68.291 -3.148 8.227 411 HA CYS 62 HA CYS 62 70.613 -3.090 6.498 412 1HB CYS 62 HB2 CYS 62 68.741 -4.318 5.770 413 2HB CYS 62 HB1 CYS 62 67.611 -3.056 6.247 414 H LYS 63 HN LYS 63 71.169 -1.424 4.962 415 HA LYS 63 HA LYS 63 69.941 1.269 5.408 416 1HB LYS 63 HB2 LYS 63 72.483 0.322 6.322 417 2HB LYS 63 HB1 LYS 63 72.769 1.525 5.066 418 1HG LYS 63 HG2 LYS 63 72.385 3.101 6.636 419 2HG LYS 63 HG1 LYS 63 70.694 2.605 6.592 420 1HD LYS 63 HD2 LYS 63 70.919 1.206 8.462 421 2HD LYS 63 HD1 LYS 63 72.671 1.088 8.282 422 1HE LYS 63 HE2 LYS 63 72.500 3.742 8.667 423 2HE LYS 63 HE1 LYS 63 71.045 3.246 9.551 424 1HZ LYS 63 HZ1 LYS 63 72.249 1.877 10.949 425 2HZ LYS 63 HZ2 LYS 63 73.312 3.191 10.762 426 3HZ LYS 63 HZ3 LYS 63 73.565 1.756 9.886 427 H ILE 64 HN ILE 64 69.177 1.708 3.353 428 HA ILE 64 HA ILE 64 70.864 0.926 1.016 429 HB ILE 64 HB ILE 64 68.278 0.432 1.546 430 1HG1 ILE 64 HG12 ILE 64 69.367 1.174 -1.186 431 2HG1 ILE 64 HG11 ILE 64 69.512 -0.402 -0.402 432 1HG2 ILE 64 HG21 ILE 64 66.892 2.051 0.187 433 2HG2 ILE 64 HG22 ILE 64 68.282 3.135 0.175 434 3HG2 ILE 64 HG23 ILE 64 67.508 2.709 1.700 435 1HD1 ILE 64 HD1 ILE 64 67.622 -0.802 -1.651 436 2HD1 ILE 64 HD1 ILE 64 67.127 0.892 -1.633 437 3HD1 ILE 64 HD1 ILE 64 66.859 -0.122 -0.211 438 H SER 65 HN SER 65 70.865 2.642 -0.804 439 HA SER 65 HA SER 65 70.606 5.411 0.273 440 1HB SER 65 HB2 SER 65 72.839 5.332 0.681 441 2HB SER 65 HB1 SER 65 73.056 3.890 -0.307 442 HG SER 65 HG SER 65 74.090 5.560 -1.334 443 H THR 66 HN THR 66 69.026 5.997 -1.214 444 HA THR 66 HA THR 66 68.064 6.514 -3.312 445 HB THR 66 HB THR 66 69.691 7.697 -4.747 446 HG1 THR 66 HG1 THR 66 71.333 5.939 -3.975 447 1HG2 THR 66 HG21 THR 66 69.109 8.217 -2.031 448 2HG2 THR 66 HG22 THR 66 69.596 9.380 -3.264 449 3HG2 THR 66 HG23 THR 66 70.815 8.603 -2.254 450 H CYS 67 HN CYS 67 68.087 3.841 -3.198 451 HA CYS 67 HA CYS 67 69.638 2.629 -5.377 452 1HB CYS 67 HB2 CYS 67 68.013 1.861 -3.096 453 2HB CYS 67 HB1 CYS 67 67.546 0.942 -4.524 454 H ILE 68 HN ILE 68 68.512 1.510 -7.182 455 HA ILE 68 HA ILE 68 66.108 3.043 -8.100 456 HB ILE 68 HB ILE 68 68.324 1.539 -9.532 457 1HG1 ILE 68 HG12 ILE 68 67.504 4.461 -9.588 458 2HG1 ILE 68 HG11 ILE 68 68.834 3.819 -8.623 459 1HG2 ILE 68 HG21 ILE 68 65.874 2.932 -10.662 460 2HG2 ILE 68 HG22 ILE 68 66.218 1.203 -10.739 461 3HG2 ILE 68 HG23 ILE 68 67.232 2.344 -11.622 462 1HD1 ILE 68 HD1 ILE 68 68.593 3.841 -11.643 463 2HD1 ILE 68 HD1 ILE 68 69.815 2.907 -10.781 464 3HD1 ILE 68 HD1 ILE 68 69.800 4.666 -10.655 465 H ILE 69 HN ILE 69 64.659 1.606 -9.583 466 HA ILE 69 HA ILE 69 63.314 -0.384 -8.271 467 HB ILE 69 HB ILE 69 64.045 -0.066 -11.187 468 1HG1 ILE 69 HG12 ILE 69 61.312 0.272 -10.809 469 2HG1 ILE 69 HG11 ILE 69 62.012 0.969 -9.347 470 1HG2 ILE 69 HG21 ILE 69 62.176 -1.657 -11.662 471 2HG2 ILE 69 HG22 ILE 69 62.097 -2.029 -9.940 472 3HG2 ILE 69 HG23 ILE 69 63.545 -2.430 -10.863 473 1HD1 ILE 69 HD1 ILE 69 62.140 2.810 -10.739 474 2HD1 ILE 69 HD1 ILE 69 62.319 1.828 -12.193 475 3HD1 ILE 69 HD1 ILE 69 63.692 2.059 -11.110 476 H THR 70 HN THR 70 64.000 -2.284 -7.326 477 HA THR 70 HA THR 70 66.161 -3.820 -8.721 478 HB THR 70 HB THR 70 65.798 -3.370 -5.742 479 HG1 THR 70 HG1 THR 70 66.801 -1.600 -6.253 480 1HG2 THR 70 HG21 THR 70 66.789 -5.533 -6.137 481 2HG2 THR 70 HG22 THR 70 68.088 -4.437 -5.669 482 3HG2 THR 70 HG23 THR 70 67.867 -4.870 -7.364 483 H GLY 71 HN GLY 71 63.752 -4.703 -9.409 484 1HA GLY 71 HA2 GLY 71 62.424 -6.433 -7.526 485 2HA GLY 71 HA1 GLY 71 62.265 -6.531 -9.280 486 H GLY 72 HN GLY 72 64.535 -7.342 -6.639 487 1HA GLY 72 HA2 GLY 72 66.023 -9.155 -6.456 488 2HA GLY 72 HA1 GLY 72 64.997 -9.998 -7.627 489 H VAL 73 HN VAL 73 66.263 -6.864 -8.345 490 HA VAL 73 HA VAL 73 68.282 -8.065 -10.215 491 HB VAL 73 HB VAL 73 67.417 -6.128 -11.736 492 1HG1 VAL 73 HG11 VAL 73 66.748 -8.813 -11.476 493 2HG1 VAL 73 HG12 VAL 73 66.337 -7.778 -12.844 494 3HG1 VAL 73 HG13 VAL 73 65.182 -8.003 -11.531 495 1HG2 VAL 73 HG21 VAL 73 65.478 -5.038 -11.165 496 2HG2 VAL 73 HG22 VAL 73 65.977 -5.452 -9.526 497 3HG2 VAL 73 HG23 VAL 73 64.801 -6.457 -10.364 498 HA PRO 74 HA PRO 74 70.176 -4.640 -7.769 499 1HB PRO 74 HB2 PRO 74 72.463 -5.985 -7.126 500 2HB PRO 74 HB1 PRO 74 70.972 -6.113 -6.171 501 1HG PRO 74 HG2 PRO 74 72.129 -8.009 -8.136 502 2HG PRO 74 HG1 PRO 74 71.219 -8.333 -6.654 503 1HD PRO 74 HD2 PRO 74 70.179 -8.457 -9.212 504 2HD PRO 74 HD1 PRO 74 69.221 -8.257 -7.729 505 H ALA 75 HN ALA 75 71.315 -6.717 -10.358 506 HA ALA 75 HA ALA 75 73.745 -5.700 -11.155 507 1HB ALA 75 HB1 ALA 75 71.949 -5.798 -13.420 508 2HB ALA 75 HB2 ALA 75 71.568 -7.097 -12.288 509 3HB ALA 75 HB3 ALA 75 73.197 -6.950 -12.949 510 HA PRO 76 HA PRO 76 71.728 -1.927 -13.307 511 1HB PRO 76 HB2 PRO 76 69.116 -1.361 -12.712 512 2HB PRO 76 HB1 PRO 76 69.597 -2.414 -14.058 513 1HG PRO 76 HG2 PRO 76 68.602 -3.142 -11.351 514 2HG PRO 76 HG1 PRO 76 68.258 -3.888 -12.920 515 1HD PRO 76 HD2 PRO 76 70.010 -4.922 -11.111 516 2HD PRO 76 HD1 PRO 76 70.146 -5.180 -12.864 517 H SER 77 HN SER 77 71.326 -2.819 -10.030 518 HA SER 77 HA SER 77 71.343 0.055 -9.172 519 1HB SER 77 HB2 SER 77 70.247 -0.688 -7.198 520 2HB SER 77 HB1 SER 77 69.512 -1.653 -8.476 521 HG SER 77 HG SER 77 70.977 -2.441 -6.349 522 H ALA 78 HN ALA 78 73.548 -2.101 -9.956 523 HA ALA 78 HA ALA 78 75.153 -2.606 -7.658 524 1HB ALA 78 HB1 ALA 78 75.743 -3.746 -9.616 525 2HB ALA 78 HB2 ALA 78 76.979 -2.489 -9.569 526 3HB ALA 78 HB3 ALA 78 75.575 -2.306 -10.620 527 H ALA 79 HN ALA 79 74.385 0.325 -9.260 528 HA ALA 79 HA ALA 79 76.807 1.796 -8.455 529 1HB ALA 79 HB1 ALA 79 74.863 3.596 -9.243 530 2HB ALA 79 HB2 ALA 79 74.378 2.124 -10.089 531 3HB ALA 79 HB3 ALA 79 75.994 2.796 -10.336 532 H CYS 80 HN CYS 80 73.690 1.021 -7.133 533 HA CYS 80 HA CYS 80 73.570 3.303 -5.288 534 1HB CYS 80 HB2 CYS 80 71.506 2.427 -6.056 535 2HB CYS 80 HB1 CYS 80 72.021 0.762 -5.800 536 H LYS 81 HN LYS 81 73.423 2.818 -2.862 537 HA LYS 81 HA LYS 81 75.592 0.901 -2.116 538 1HB LYS 81 HB2 LYS 81 74.731 3.586 -1.338 539 2HB LYS 81 HB1 LYS 81 75.003 2.540 0.057 540 1HG LYS 81 HG2 LYS 81 77.180 3.175 -0.230 541 2HG LYS 81 HG1 LYS 81 77.170 1.900 -1.451 542 1HD LYS 81 HD2 LYS 81 76.107 4.404 -2.496 543 2HD LYS 81 HD1 LYS 81 77.755 4.590 -1.896 544 1HE LYS 81 HE2 LYS 81 77.109 2.200 -3.599 545 2HE LYS 81 HE1 LYS 81 77.366 3.774 -4.379 546 1HZ LYS 81 HZ1 LYS 81 79.404 3.977 -2.963 547 2HZ LYS 81 HZ2 LYS 81 79.489 2.775 -4.162 548 3HZ LYS 81 HZ3 LYS 81 79.209 2.346 -2.542 549 H ILE 82 HN ILE 82 75.169 -0.761 -0.719 550 HA ILE 82 HA ILE 82 72.617 -0.835 0.804 551 HB ILE 82 HB ILE 82 72.354 -1.807 -1.530 552 1HG1 ILE 82 HG12 ILE 82 71.748 -4.215 -0.299 553 2HG1 ILE 82 HG11 ILE 82 71.752 -3.076 1.049 554 1HG2 ILE 82 HG21 ILE 82 73.577 -3.661 -2.212 555 2HG2 ILE 82 HG22 ILE 82 73.937 -4.159 -0.559 556 3HG2 ILE 82 HG23 ILE 82 74.791 -2.793 -1.274 557 1HD1 ILE 82 HD1 ILE 82 70.425 -1.955 -1.288 558 2HD1 ILE 82 HD1 ILE 82 69.823 -2.129 0.363 559 3HD1 ILE 82 HD1 ILE 82 69.672 -3.466 -0.778 560 H SER 83 HN SER 83 73.069 -1.667 2.828 561 HA SER 83 HA SER 83 75.332 -3.587 3.110 562 1HB SER 83 HB2 SER 83 75.892 -1.072 3.466 563 2HB SER 83 HB1 SER 83 74.983 -1.239 4.966 564 HG SER 83 HG SER 83 76.724 -2.096 5.753 565 H GLY 84 HN GLY 84 74.425 -5.331 4.098 566 1HA GLY 84 HA2 GLY 84 73.347 -6.544 5.811 567 2HA GLY 84 HA1 GLY 84 73.029 -5.016 6.635 568 H CYS 85 HN CYS 85 72.104 -6.192 3.388 569 HA CYS 85 HA CYS 85 69.235 -5.865 4.194 570 1HB CYS 85 HB2 CYS 85 70.558 -4.906 1.635 571 2HB CYS 85 HB1 CYS 85 68.873 -4.658 2.090 572 H THR 86 HN THR 86 67.794 -7.279 3.079 573 HA THR 86 HA THR 86 69.131 -9.524 1.625 574 HB THR 86 HB THR 86 66.305 -9.798 2.365 575 HG1 THR 86 HG1 THR 86 68.217 -9.439 4.423 576 1HG2 THR 86 HG21 THR 86 68.211 -11.501 3.741 577 2HG2 THR 86 HG22 THR 86 68.579 -11.398 2.019 578 3HG2 THR 86 HG23 THR 86 66.987 -11.936 2.549 579 H PHE 87 HN PHE 87 67.877 -10.391 -0.274 580 HA PHE 87 HA PHE 87 66.205 -8.278 -1.590 581 1HB PHE 87 HB2 PHE 87 68.246 -10.010 -2.996 582 2HB PHE 87 HB1 PHE 87 67.497 -8.525 -3.578 583 HD1 PHE 87 HD1 PHE 87 70.530 -9.615 -2.758 584 HD2 PHE 87 HD2 PHE 87 67.741 -6.665 -1.335 585 HE1 PHE 87 HE1 PHE 87 72.403 -8.309 -1.796 586 HE2 PHE 87 HE2 PHE 87 69.622 -5.360 -0.376 587 HZ PHE 87 HZ PHE 87 71.949 -6.182 -0.606 588 H SER 88 HN SER 88 64.493 -9.091 -2.832 589 HA SER 88 HA SER 88 64.243 -11.833 -3.698 590 1HB SER 88 HB2 SER 88 63.981 -12.504 -1.478 591 2HB SER 88 HB1 SER 88 63.240 -10.979 -1.000 592 HG SER 88 HG SER 88 62.053 -12.910 -2.715 593 H ALA 89 HN ALA 89 63.022 -11.425 -5.505 594 HA ALA 89 HA ALA 89 61.574 -9.248 -6.271 595 1HB ALA 89 HB1 ALA 89 60.704 -10.642 -7.892 596 2HB ALA 89 HB2 ALA 89 60.285 -11.903 -6.730 597 3HB ALA 89 HB3 ALA 89 61.959 -11.704 -7.252 598 H ASN 90 HN ASN 90 59.333 -8.603 -6.175 599 HA ASN 90 HA ASN 90 57.892 -9.601 -3.743 600 1HB ASN 90 HB2 ASN 90 58.108 -7.461 -3.038 601 2HB ASN 90 HB1 ASN 90 58.886 -7.013 -4.554 602 1HD2 ASN 90 HD2 ASN 90 57.100 -6.858 -6.461 603 2HD2 ASN 90 HD2 ASN 90 55.710 -5.977 -6.046 Start of MODEL 19 1 1H ASP 1 HT1 ASP 1 45.273 7.824 0.786 2 2H ASP 1 HT2 ASP 1 44.404 9.237 1.153 3 3H ASP 1 HT3 ASP 1 44.041 7.782 1.952 4 HA ASP 1 HA ASP 1 46.490 7.881 2.746 5 1HB ASP 1 HB2 ASP 1 47.353 10.167 2.744 6 2HB ASP 1 HB1 ASP 1 46.920 9.723 1.093 7 H GLY 2 HN GLY 2 46.785 9.184 4.918 8 1HA GLY 2 HA2 GLY 2 44.643 10.507 6.195 9 2HA GLY 2 HA1 GLY 2 44.432 8.786 6.516 10 H SER 3 HN SER 3 46.484 7.666 7.361 11 HA SER 3 HA SER 3 47.343 8.897 9.782 12 1HB SER 3 HB2 SER 3 47.843 6.482 8.193 13 2HB SER 3 HB1 SER 3 49.245 6.981 9.135 14 HG SER 3 HG SER 3 48.116 6.737 10.966 15 H CYS 4 HN CYS 4 48.921 8.679 6.596 16 HA CYS 4 HA CYS 4 50.432 11.106 6.976 17 1HB CYS 4 HB2 CYS 4 51.405 9.027 8.446 18 2HB CYS 4 HB1 CYS 4 52.294 8.793 6.940 19 H THR 5 HN THR 5 51.361 7.969 5.539 20 HA THR 5 HA THR 5 50.963 9.172 2.826 21 HB THR 5 HB THR 5 53.374 9.129 3.824 22 HG1 THR 5 HG1 THR 5 54.082 8.983 1.805 23 1HG2 THR 5 HG21 THR 5 54.556 7.050 3.729 24 2HG2 THR 5 HG22 THR 5 53.201 6.241 2.939 25 3HG2 THR 5 HG23 THR 5 53.072 6.728 4.629 26 H ASN 6 HN ASN 6 49.947 6.871 4.878 27 HA ASN 6 HA ASN 6 50.139 4.423 3.364 28 1HB ASN 6 HB2 ASN 6 48.100 5.352 5.410 29 2HB ASN 6 HB1 ASN 6 48.445 3.678 4.977 30 1HD2 ASN 6 HD2 ASN 6 49.903 2.660 6.340 31 2HD2 ASN 6 HD2 ASN 6 51.064 3.448 7.295 32 H THR 7 HN THR 7 49.515 5.568 1.214 33 HA THR 7 HA THR 7 46.576 5.977 0.944 34 HB THR 7 HB THR 7 47.214 6.992 -1.191 35 HG1 THR 7 HG1 THR 7 49.666 7.038 -1.431 36 1HG2 THR 7 HG21 THR 7 48.004 8.878 -0.212 37 2HG2 THR 7 HG22 THR 7 49.431 8.059 0.423 38 3HG2 THR 7 HG23 THR 7 47.898 7.956 1.288 39 H ASN 8 HN ASN 8 45.722 3.866 0.855 40 HA ASN 8 HA ASN 8 45.212 1.771 -0.108 41 1HB ASN 8 HB2 ASN 8 46.399 3.432 -2.319 42 2HB ASN 8 HB1 ASN 8 45.996 1.742 -2.628 43 1HD2 ASN 8 HD2 ASN 8 43.636 1.186 -1.644 44 2HD2 ASN 8 HD2 ASN 8 42.436 2.325 -2.025 45 H SER 9 HN SER 9 48.052 2.543 1.012 46 HA SER 9 HA SER 9 49.394 0.019 0.096 47 1HB SER 9 HB2 SER 9 51.157 2.203 0.941 48 2HB SER 9 HB1 SER 9 51.220 1.221 -0.520 49 HG SER 9 HG SER 9 50.725 3.263 -1.178 50 H GLN 10 HN GLN 10 51.175 -0.562 1.797 51 HA GLN 10 HA GLN 10 50.074 -0.008 4.533 52 1HB GLN 10 HB2 GLN 10 50.696 -2.406 3.040 53 2HB GLN 10 HB1 GLN 10 51.662 -2.348 4.516 54 1HG GLN 10 HG2 GLN 10 49.858 -2.923 5.727 55 2HG GLN 10 HG1 GLN 10 49.018 -1.480 5.160 56 1HE2 GLN 10 HE21 GLN 10 48.157 -1.769 2.753 57 2HE2 GLN 10 HE22 GLN 10 47.417 -3.261 2.422 58 H LEU 11 HN LEU 11 51.430 1.393 5.582 59 HA LEU 11 HA LEU 11 54.353 1.299 4.978 60 1HB LEU 11 HB2 LEU 11 52.937 3.406 4.814 61 2HB LEU 11 HB1 LEU 11 52.749 3.322 6.564 62 HG LEU 11 HG LEU 11 55.310 3.210 6.668 63 1HD1 LEU 11 HD1 LEU 11 55.481 2.725 4.177 64 2HD1 LEU 11 HD1 LEU 11 56.535 4.012 4.764 65 3HD1 LEU 11 HD1 LEU 11 55.050 4.413 3.902 66 1HD2 LEU 11 HD2 LEU 11 54.642 5.848 5.516 67 2HD2 LEU 11 HD2 LEU 11 55.268 5.445 7.116 68 3HD2 LEU 11 HD2 LEU 11 53.543 5.295 6.780 69 H SER 12 HN SER 12 52.855 -0.647 6.715 70 HA SER 12 HA SER 12 53.282 -1.802 8.726 71 1HB SER 12 HB2 SER 12 55.638 -1.299 7.982 72 2HB SER 12 HB1 SER 12 55.576 0.175 8.941 73 HG SER 12 HG SER 12 54.766 -1.602 10.587 74 H ALA 13 HN ALA 13 52.155 1.274 8.558 75 HA ALA 13 HA ALA 13 51.335 2.826 10.161 76 1HB ALA 13 HB1 ALA 13 49.736 1.719 11.386 77 2HB ALA 13 HB2 ALA 13 50.899 0.563 12.037 78 3HB ALA 13 HB3 ALA 13 50.250 0.341 10.411 79 H ASN 14 HN ASN 14 54.251 1.926 10.359 80 HA ASN 14 HA ASN 14 54.831 3.197 12.936 81 1HB ASN 14 HB2 ASN 14 54.232 0.627 13.156 82 2HB ASN 14 HB1 ASN 14 55.884 0.409 12.578 83 1HD2 ASN 14 HD2 ASN 14 56.719 -0.336 14.632 84 2HD2 ASN 14 HD2 ASN 14 56.848 0.690 15.978 85 H SER 15 HN SER 15 55.532 3.087 9.845 86 HA SER 15 HA SER 15 58.495 2.934 10.146 87 1HB SER 15 HB2 SER 15 58.459 2.083 8.017 88 2HB SER 15 HB1 SER 15 56.732 1.880 8.294 89 HG SER 15 HG SER 15 57.701 3.236 6.411 90 H LYS 16 HN LYS 16 58.753 4.663 7.684 91 HA LYS 16 HA LYS 16 58.232 7.291 9.035 92 1HB LYS 16 HB2 LYS 16 60.587 6.102 8.267 93 2HB LYS 16 HB1 LYS 16 60.234 7.126 6.875 94 1HG LYS 16 HG2 LYS 16 59.739 8.488 9.413 95 2HG LYS 16 HG1 LYS 16 61.415 7.963 9.247 96 1HD LYS 16 HD2 LYS 16 61.561 9.069 7.054 97 2HD LYS 16 HD1 LYS 16 59.877 9.577 7.191 98 1HE LYS 16 HE2 LYS 16 61.982 10.328 9.244 99 2HE LYS 16 HE1 LYS 16 61.559 11.360 7.864 100 1HZ LYS 16 HZ1 LYS 16 60.219 11.292 10.224 101 2HZ LYS 16 HZ2 LYS 16 59.271 10.287 9.236 102 3HZ LYS 16 HZ3 LYS 16 59.597 11.885 8.763 103 H CYS 17 HN CYS 17 56.623 8.428 8.026 104 HA CYS 17 HA CYS 17 55.951 7.836 5.196 105 1HB CYS 17 HB2 CYS 17 53.977 9.263 5.748 106 2HB CYS 17 HB1 CYS 17 54.179 7.940 6.897 107 H GLU 18 HN GLU 18 58.267 8.912 4.824 108 HA GLU 18 HA GLU 18 58.275 11.855 4.969 109 1HB GLU 18 HB2 GLU 18 60.102 9.625 4.485 110 2HB GLU 18 HB1 GLU 18 60.389 10.968 3.376 111 1HG GLU 18 HG2 GLU 18 59.987 11.559 6.289 112 2HG GLU 18 HG1 GLU 18 61.549 10.939 5.750 113 H LYS 19 HN LYS 19 58.472 13.204 3.035 114 HA LYS 19 HA LYS 19 57.626 13.925 0.949 115 1HB LYS 19 HB2 LYS 19 58.943 11.252 0.546 116 2HB LYS 19 HB1 LYS 19 58.195 12.067 -0.827 117 1HG LYS 19 HG2 LYS 19 60.318 13.253 0.987 118 2HG LYS 19 HG1 LYS 19 60.579 12.669 -0.657 119 1HD LYS 19 HD2 LYS 19 58.650 14.340 -1.269 120 2HD LYS 19 HD1 LYS 19 59.068 15.098 0.268 121 1HE LYS 19 HE2 LYS 19 60.582 16.236 -1.051 122 2HE LYS 19 HE1 LYS 19 61.557 14.774 -0.804 123 1HZ LYS 19 HZ1 LYS 19 60.338 13.815 -2.754 124 2HZ LYS 19 HZ2 LYS 19 61.399 15.087 -3.132 125 3HZ LYS 19 HZ3 LYS 19 59.724 15.366 -3.061 126 H SER 20 HN SER 20 56.921 10.639 -0.005 127 HA SER 20 HA SER 20 54.144 10.631 0.877 128 1HB SER 20 HB2 SER 20 53.114 11.289 -1.146 129 2HB SER 20 HB1 SER 20 54.451 12.424 -0.985 130 HG SER 20 HG SER 20 54.296 10.084 -2.578 131 H THR 21 HN THR 21 52.918 8.839 -0.403 132 HA THR 21 HA THR 21 54.797 6.714 -1.362 133 HB THR 21 HB THR 21 52.744 6.668 0.852 134 HG1 THR 21 HG1 THR 21 54.769 6.949 1.584 135 1HG2 THR 21 HG21 THR 21 53.523 4.061 0.644 136 2HG2 THR 21 HG22 THR 21 53.418 4.516 -1.056 137 3HG2 THR 21 HG23 THR 21 52.011 4.694 -0.006 138 H LEU 22 HN LEU 22 53.773 5.188 -2.814 139 HA LEU 22 HA LEU 22 51.459 6.317 -4.265 140 1HB LEU 22 HB2 LEU 22 53.719 5.259 -5.125 141 2HB LEU 22 HB1 LEU 22 52.856 3.736 -4.907 142 HG LEU 22 HG LEU 22 51.002 5.372 -6.189 143 1HD1 LEU 22 HD1 LEU 22 53.811 5.976 -7.054 144 2HD1 LEU 22 HD1 LEU 22 52.426 7.061 -6.922 145 3HD1 LEU 22 HD1 LEU 22 52.532 5.927 -8.268 146 1HD2 LEU 22 HD2 LEU 22 52.043 2.878 -6.502 147 2HD2 LEU 22 HD2 LEU 22 52.741 3.687 -7.905 148 3HD2 LEU 22 HD2 LEU 22 50.990 3.644 -7.692 149 H THR 23 HN THR 23 50.848 3.434 -5.121 150 HA THR 23 HA THR 23 49.337 2.566 -2.679 151 HB THR 23 HB THR 23 47.364 2.364 -3.988 152 HG1 THR 23 HG1 THR 23 48.851 2.889 -6.328 153 1HG2 THR 23 HG21 THR 23 47.971 4.720 -3.531 154 2HG2 THR 23 HG22 THR 23 47.082 4.562 -5.046 155 3HG2 THR 23 HG23 THR 23 48.831 4.787 -5.069 156 H ASN 24 HN ASN 24 51.776 1.415 -3.362 157 HA ASN 24 HA ASN 24 50.956 -1.347 -4.008 158 1HB ASN 24 HB2 ASN 24 52.329 0.521 -5.846 159 2HB ASN 24 HB1 ASN 24 53.080 -1.070 -5.717 160 1HD2 ASN 24 HD2 ASN 24 51.963 -0.543 -8.167 161 2HD2 ASN 24 HD2 ASN 24 50.494 -1.374 -8.360 162 H CYS 25 HN CYS 25 51.986 -0.305 -1.585 163 HA CYS 25 HA CYS 25 54.575 -1.769 -1.451 164 1HB CYS 25 HB2 CYS 25 54.130 1.131 -0.683 165 2HB CYS 25 HB1 CYS 25 55.582 0.212 -0.287 166 H TYR 26 HN TYR 26 54.438 -3.085 0.284 167 HA TYR 26 HA TYR 26 52.775 -2.231 2.631 168 1HB TYR 26 HB2 TYR 26 53.544 -5.029 1.733 169 2HB TYR 26 HB1 TYR 26 52.321 -4.593 2.928 170 HD1 TYR 26 HD1 TYR 26 50.099 -4.080 2.276 171 HD2 TYR 26 HD2 TYR 26 53.205 -4.282 -0.685 172 HE1 TYR 26 HE1 TYR 26 48.399 -3.905 0.479 173 HE2 TYR 26 HE2 TYR 26 51.503 -4.109 -2.480 174 HH TYR 26 HH TYR 26 48.707 -2.968 -2.258 175 H VAL 27 HN VAL 27 54.473 -1.237 3.806 176 HA VAL 27 HA VAL 27 57.023 -2.702 4.150 177 HB VAL 27 HB VAL 27 56.108 -0.048 5.300 178 1HG1 VAL 27 HG11 VAL 27 58.576 -1.579 5.296 179 2HG1 VAL 27 HG12 VAL 27 58.149 -0.144 6.222 180 3HG1 VAL 27 HG13 VAL 27 58.816 0.021 4.592 181 1HG2 VAL 27 HG21 VAL 27 57.779 0.158 2.938 182 2HG2 VAL 27 HG22 VAL 27 56.213 0.905 3.258 183 3HG2 VAL 27 HG23 VAL 27 56.293 -0.716 2.568 184 H ASP 28 HN ASP 28 57.917 -2.921 6.373 185 HA ASP 28 HA ASP 28 55.929 -3.037 8.582 186 1HB ASP 28 HB2 ASP 28 56.930 -5.256 7.033 187 2HB ASP 28 HB1 ASP 28 57.479 -5.408 8.703 188 H LYS 29 HN LYS 29 56.937 -1.968 10.263 189 HA LYS 29 HA LYS 29 58.683 -1.074 11.594 190 1HB LYS 29 HB2 LYS 29 58.575 -3.634 11.964 191 2HB LYS 29 HB1 LYS 29 60.029 -3.705 10.967 192 1HG LYS 29 HG2 LYS 29 60.909 -3.531 13.134 193 2HG LYS 29 HG1 LYS 29 60.931 -1.858 12.575 194 1HD LYS 29 HD2 LYS 29 59.055 -1.268 13.857 195 2HD LYS 29 HD1 LYS 29 58.527 -2.942 14.026 196 1HE LYS 29 HE2 LYS 29 60.938 -1.659 15.356 197 2HE LYS 29 HE1 LYS 29 59.482 -2.284 16.154 198 1HZ LYS 29 HZ1 LYS 29 60.779 -4.132 16.285 199 2HZ LYS 29 HZ2 LYS 29 61.686 -3.744 14.901 200 3HZ LYS 29 HZ3 LYS 29 60.126 -4.400 14.743 201 H SER 30 HN SER 30 58.977 0.132 9.237 202 HA SER 30 HA SER 30 61.895 -0.142 8.586 203 1HB SER 30 HB2 SER 30 59.772 0.595 6.583 204 2HB SER 30 HB1 SER 30 61.383 -0.048 6.282 205 HG SER 30 HG SER 30 59.087 -1.367 7.273 206 H GLU 31 HN GLU 31 62.518 1.888 7.196 207 HA GLU 31 HA GLU 31 61.059 4.338 8.041 208 1HB GLU 31 HB2 GLU 31 62.831 3.790 9.732 209 2HB GLU 31 HB1 GLU 31 64.035 3.873 8.444 210 1HG GLU 31 HG2 GLU 31 62.714 6.241 8.083 211 2HG GLU 31 HG1 GLU 31 62.615 6.059 9.835 212 H VAL 32 HN VAL 32 60.613 5.152 5.982 213 HA VAL 32 HA VAL 32 62.845 5.024 3.985 214 HB VAL 32 HB VAL 32 61.105 4.886 2.317 215 1HG1 VAL 32 HG11 VAL 32 61.277 2.708 2.994 216 2HG1 VAL 32 HG12 VAL 32 59.632 2.988 3.563 217 3HG1 VAL 32 HG13 VAL 32 60.984 3.094 4.691 218 1HG2 VAL 32 HG21 VAL 32 58.662 4.778 3.417 219 2HG2 VAL 32 HG22 VAL 32 59.373 6.300 2.878 220 3HG2 VAL 32 HG23 VAL 32 59.426 5.856 4.585 221 H TYR 33 HN TYR 33 62.848 6.815 2.416 222 HA TYR 33 HA TYR 33 61.959 9.415 3.620 223 1HB TYR 33 HB2 TYR 33 64.519 8.425 3.221 224 2HB TYR 33 HB1 TYR 33 64.264 9.403 1.782 225 HD1 TYR 33 HD1 TYR 33 62.800 11.685 2.476 226 HD2 TYR 33 HD2 TYR 33 65.631 9.558 4.905 227 HE1 TYR 33 HE1 TYR 33 63.196 13.738 3.813 228 HE2 TYR 33 HE2 TYR 33 66.028 11.610 6.243 229 HH TYR 33 HH TYR 33 65.778 14.189 5.769 230 H GLY 34 HN GLY 34 63.131 10.546 0.956 231 1HA GLY 34 HA2 GLY 34 60.650 10.583 -0.500 232 2HA GLY 34 HA1 GLY 34 62.198 11.166 -1.115 233 H THR 35 HN THR 35 60.603 8.056 -0.342 234 HA THR 35 HA THR 35 62.159 6.751 -2.518 235 HB THR 35 HB THR 35 60.444 5.797 -0.211 236 HG1 THR 35 HG1 THR 35 62.812 6.575 -0.197 237 1HG2 THR 35 HG21 THR 35 61.479 3.516 -0.968 238 2HG2 THR 35 HG22 THR 35 61.620 4.303 -2.538 239 3HG2 THR 35 HG23 THR 35 60.037 4.117 -1.785 240 H THR 36 HN THR 36 60.931 5.262 -3.977 241 HA THR 36 HA THR 36 58.273 6.437 -4.690 242 HB THR 36 HB THR 36 58.826 5.842 -6.922 243 HG1 THR 36 HG1 THR 36 59.721 3.993 -7.241 244 1HG2 THR 36 HG21 THR 36 61.470 6.460 -5.567 245 2HG2 THR 36 HG22 THR 36 60.264 7.659 -6.034 246 3HG2 THR 36 HG23 THR 36 61.093 6.714 -7.271 247 H CYS 37 HN CYS 37 57.152 4.453 -6.158 248 HA CYS 37 HA CYS 37 57.179 1.976 -4.489 249 1HB CYS 37 HB2 CYS 37 55.110 4.051 -4.743 250 2HB CYS 37 HB1 CYS 37 54.504 2.417 -5.019 251 H THR 38 HN THR 38 54.722 2.848 -6.844 252 HA THR 38 HA THR 38 54.094 1.732 -8.838 253 HB THR 38 HB THR 38 57.073 1.712 -9.329 254 HG1 THR 38 HG1 THR 38 55.829 4.027 -9.977 255 1HG2 THR 38 HG21 THR 38 55.985 0.950 -11.242 256 2HG2 THR 38 HG22 THR 38 56.058 2.684 -11.555 257 3HG2 THR 38 HG23 THR 38 54.566 1.958 -10.958 258 H GLY 39 HN GLY 39 54.584 -0.047 -6.563 259 1HA GLY 39 HA2 GLY 39 54.319 -2.471 -6.649 260 2HA GLY 39 HA1 GLY 39 55.333 -2.492 -8.093 261 H SER 40 HN SER 40 55.320 -2.932 -4.739 262 HA SER 40 HA SER 40 58.064 -3.746 -4.600 263 1HB SER 40 HB2 SER 40 58.438 -1.333 -4.962 264 2HB SER 40 HB1 SER 40 57.405 -0.958 -3.587 265 HG SER 40 HG SER 40 59.857 -2.391 -3.582 266 H ARG 41 HN ARG 41 58.684 -4.258 -2.334 267 HA ARG 41 HA ARG 41 56.458 -4.109 -0.352 268 1HB ARG 41 HB2 ARG 41 56.115 -6.240 -1.347 269 2HB ARG 41 HB1 ARG 41 57.848 -6.556 -1.451 270 1HG ARG 41 HG2 ARG 41 56.602 -7.775 0.422 271 2HG ARG 41 HG1 ARG 41 58.036 -6.871 0.908 272 1HD ARG 41 HD2 ARG 41 56.815 -5.339 2.116 273 2HD ARG 41 HD1 ARG 41 55.475 -5.350 0.947 274 HE ARG 41 HE ARG 41 55.888 -7.347 3.111 275 1HH1 ARG 41 HH2 ARG 41 54.748 -7.798 0.105 276 2HH1 ARG 41 HH2 ARG 41 53.085 -8.039 0.522 277 1HH2 ARG 41 HH1 ARG 41 53.472 -6.950 3.793 278 2HH2 ARG 41 HH1 ARG 41 52.362 -7.563 2.612 279 H PHE 42 HN PHE 42 57.278 -3.487 1.598 280 HA PHE 42 HA PHE 42 60.231 -3.769 2.031 281 1HB PHE 42 HB2 PHE 42 58.103 -1.811 2.827 282 2HB PHE 42 HB1 PHE 42 59.575 -1.924 3.782 283 HD1 PHE 42 HD1 PHE 42 58.935 -2.163 0.079 284 HD2 PHE 42 HD2 PHE 42 60.955 -0.132 3.281 285 HE1 PHE 42 HE1 PHE 42 60.144 -0.767 -1.584 286 HE2 PHE 42 HE2 PHE 42 62.166 1.266 1.622 287 HZ PHE 42 HZ PHE 42 61.759 0.950 -0.805 288 H ASP 43 HN ASP 43 60.820 -4.075 4.388 289 HA ASP 43 HA ASP 43 58.946 -5.039 6.345 290 1HB ASP 43 HB2 ASP 43 59.516 -6.802 4.213 291 2HB ASP 43 HB1 ASP 43 60.447 -7.406 5.584 292 H GLY 44 HN GLY 44 60.150 -4.254 8.073 293 1HA GLY 44 HA2 GLY 44 62.030 -3.816 9.428 294 2HA GLY 44 HA1 GLY 44 62.531 -5.455 8.985 295 H VAL 45 HN VAL 45 62.430 -2.153 7.620 296 HA VAL 45 HA VAL 45 65.148 -2.628 6.482 297 HB VAL 45 HB VAL 45 62.547 -2.042 5.082 298 1HG1 VAL 45 HG11 VAL 45 63.555 -0.461 3.827 299 2HG1 VAL 45 HG12 VAL 45 64.515 -1.771 3.139 300 3HG1 VAL 45 HG13 VAL 45 65.145 -0.838 4.496 301 1HG2 VAL 45 HG21 VAL 45 64.887 -3.908 4.594 302 2HG2 VAL 45 HG22 VAL 45 63.512 -3.745 3.502 303 3HG2 VAL 45 HG23 VAL 45 63.270 -4.356 5.138 304 H THR 46 HN THR 46 66.408 -0.844 6.890 305 HA THR 46 HA THR 46 65.035 1.751 7.479 306 HB THR 46 HB THR 46 67.840 0.782 8.133 307 HG1 THR 46 HG1 THR 46 67.020 0.056 9.936 308 1HG2 THR 46 HG21 THR 46 66.694 3.362 8.075 309 2HG2 THR 46 HG22 THR 46 68.245 2.895 8.779 310 3HG2 THR 46 HG23 THR 46 66.789 2.904 9.777 311 H ILE 47 HN ILE 47 64.836 2.407 5.274 312 HA ILE 47 HA ILE 47 67.409 2.827 3.789 313 HB ILE 47 HB ILE 47 65.896 2.778 1.805 314 1HG1 ILE 47 HG12 ILE 47 63.544 1.715 2.980 315 2HG1 ILE 47 HG11 ILE 47 63.936 3.174 3.893 316 1HG2 ILE 47 HG21 ILE 47 64.934 0.349 2.496 317 2HG2 ILE 47 HG22 ILE 47 66.116 0.575 3.785 318 3HG2 ILE 47 HG23 ILE 47 66.628 0.628 2.099 319 1HD1 ILE 47 HD1 ILE 47 62.971 4.328 2.209 320 2HD1 ILE 47 HD1 ILE 47 62.949 2.915 1.154 321 3HD1 ILE 47 HD1 ILE 47 64.396 3.919 1.255 322 H THR 48 HN THR 48 67.272 4.840 2.307 323 HA THR 48 HA THR 48 65.884 7.059 3.779 324 HB THR 48 HB THR 48 68.450 6.811 3.803 325 HG1 THR 48 HG1 THR 48 68.621 9.141 3.228 326 1HG2 THR 48 HG21 THR 48 69.666 7.402 1.849 327 2HG2 THR 48 HG22 THR 48 68.215 7.976 1.028 328 3HG2 THR 48 HG23 THR 48 68.449 6.250 1.296 329 H THR 49 HN THR 49 66.667 8.950 1.671 330 HA THR 49 HA THR 49 64.381 8.790 -0.038 331 HB THR 49 HB THR 49 66.939 10.273 -0.648 332 HG1 THR 49 HG1 THR 49 64.978 11.037 1.245 333 1HG2 THR 49 HG21 THR 49 65.403 10.909 -2.243 334 2HG2 THR 49 HG22 THR 49 64.965 12.046 -0.969 335 3HG2 THR 49 HG23 THR 49 64.023 10.573 -1.197 336 H SER 50 HN SER 50 64.513 6.609 -0.995 337 HA SER 50 HA SER 50 66.382 6.555 -3.325 338 1HB SER 50 HB2 SER 50 67.167 5.250 -1.259 339 2HB SER 50 HB1 SER 50 65.806 4.171 -1.554 340 HG SER 50 HG SER 50 67.229 3.240 -2.819 341 H THR 51 HN THR 51 65.521 5.574 -5.158 342 HA THR 51 HA THR 51 62.603 5.012 -5.076 343 HB THR 51 HB THR 51 62.776 5.357 -7.486 344 HG1 THR 51 HG1 THR 51 64.608 4.484 -8.150 345 1HG2 THR 51 HG21 THR 51 64.511 7.534 -7.079 346 2HG2 THR 51 HG22 THR 51 63.741 7.245 -5.519 347 3HG2 THR 51 HG23 THR 51 62.753 7.540 -6.949 348 H SER 52 HN SER 52 63.625 2.918 -3.858 349 HA SER 52 HA SER 52 64.345 0.841 -5.875 350 1HB SER 52 HB2 SER 52 64.962 1.461 -3.108 351 2HB SER 52 HB1 SER 52 64.365 -0.191 -3.250 352 HG SER 52 HG SER 52 66.645 0.007 -3.594 353 H THR 53 HN THR 53 62.522 -0.111 -6.725 354 HA THR 53 HA THR 53 60.455 -1.100 -4.806 355 HB THR 53 HB THR 53 58.874 -0.297 -6.808 356 HG1 THR 53 HG1 THR 53 60.753 1.768 -6.868 357 1HG2 THR 53 HG21 THR 53 58.863 2.018 -5.588 358 2HG2 THR 53 HG22 THR 53 60.031 1.254 -4.510 359 3HG2 THR 53 HG23 THR 53 58.414 0.571 -4.687 360 H GLY 54 HN GLY 54 59.098 -2.824 -5.843 361 1HA GLY 54 HA2 GLY 54 58.751 -4.243 -7.873 362 2HA GLY 54 HA1 GLY 54 60.489 -4.127 -8.146 363 H SER 55 HN SER 55 61.688 -4.752 -5.879 364 HA SER 55 HA SER 55 60.759 -7.534 -5.335 365 1HB SER 55 HB2 SER 55 62.985 -7.996 -5.329 366 2HB SER 55 HB1 SER 55 63.163 -6.401 -6.050 367 HG SER 55 HG SER 55 64.428 -6.836 -4.094 368 H ARG 56 HN ARG 56 61.593 -8.238 -3.018 369 HA ARG 56 HA ARG 56 60.471 -6.283 -1.049 370 1HB ARG 56 HB2 ARG 56 59.192 -8.311 -1.187 371 2HB ARG 56 HB1 ARG 56 60.653 -9.302 -1.174 372 1HG ARG 56 HG2 ARG 56 61.112 -8.746 1.116 373 2HG ARG 56 HG1 ARG 56 59.869 -7.494 1.124 374 1HD ARG 56 HD2 ARG 56 58.529 -9.126 2.001 375 2HD ARG 56 HD1 ARG 56 58.449 -9.736 0.336 376 HE ARG 56 HE ARG 56 60.251 -11.291 0.863 377 1HH1 ARG 56 HH2 ARG 56 61.736 -9.809 2.931 378 2HH1 ARG 56 HH2 ARG 56 61.277 -10.612 4.395 379 1HH2 ARG 56 HH1 ARG 56 58.508 -12.154 2.986 380 2HH2 ARG 56 HH1 ARG 56 59.447 -11.940 4.427 381 H ILE 57 HN ILE 57 61.930 -5.452 0.426 382 HA ILE 57 HA ILE 57 64.633 -6.716 0.548 383 HB ILE 57 HB ILE 57 63.506 -3.982 1.169 384 1HG1 ILE 57 HG12 ILE 57 65.216 -5.240 -0.939 385 2HG1 ILE 57 HG11 ILE 57 63.981 -3.994 -1.098 386 1HG2 ILE 57 HG21 ILE 57 65.732 -3.330 1.921 387 2HG2 ILE 57 HG22 ILE 57 66.341 -4.958 1.623 388 3HG2 ILE 57 HG23 ILE 57 65.166 -4.676 2.908 389 1HD1 ILE 57 HD1 ILE 57 65.546 -2.383 0.035 390 2HD1 ILE 57 HD1 ILE 57 66.152 -2.979 -1.512 391 3HD1 ILE 57 HD1 ILE 57 66.786 -3.640 -0.002 392 H SER 58 HN SER 58 65.692 -6.819 2.682 393 HA SER 58 HA SER 58 63.875 -6.788 5.044 394 1HB SER 58 HB2 SER 58 65.344 -9.177 5.242 395 2HB SER 58 HB1 SER 58 63.626 -9.030 4.891 396 HG SER 58 HG SER 58 64.175 -9.873 3.042 397 H GLY 59 HN GLY 59 65.036 -6.436 7.011 398 1HA GLY 59 HA2 GLY 59 67.756 -6.874 7.492 399 2HA GLY 59 HA1 GLY 59 67.680 -5.286 6.731 400 HA PRO 60 HA PRO 60 65.848 -5.246 11.186 401 1HB PRO 60 HB2 PRO 60 67.798 -6.136 12.895 402 2HB PRO 60 HB1 PRO 60 66.515 -7.191 12.268 403 1HG PRO 60 HG2 PRO 60 69.343 -6.917 11.372 404 2HG PRO 60 HG1 PRO 60 68.347 -8.372 11.536 405 1HD PRO 60 HD2 PRO 60 68.835 -7.172 9.147 406 2HD PRO 60 HD1 PRO 60 67.344 -8.078 9.491 407 H GLY 61 HN GLY 61 68.696 -4.495 9.552 408 1HA GLY 61 HA2 GLY 61 68.853 -1.842 10.701 409 2HA GLY 61 HA1 GLY 61 70.241 -2.846 11.137 410 H CYS 62 HN CYS 62 68.398 -2.983 8.116 411 HA CYS 62 HA CYS 62 70.786 -2.973 6.486 412 1HB CYS 62 HB2 CYS 62 68.946 -4.143 5.635 413 2HB CYS 62 HB1 CYS 62 67.801 -2.904 6.139 414 H LYS 63 HN LYS 63 71.295 -1.316 4.865 415 HA LYS 63 HA LYS 63 70.203 1.409 5.397 416 1HB LYS 63 HB2 LYS 63 73.046 0.415 5.626 417 2HB LYS 63 HB1 LYS 63 72.701 2.119 5.326 418 1HG LYS 63 HG2 LYS 63 71.105 0.931 7.498 419 2HG LYS 63 HG1 LYS 63 72.837 0.980 7.819 420 1HD LYS 63 HD2 LYS 63 72.324 3.468 6.696 421 2HD LYS 63 HD1 LYS 63 70.908 3.175 7.707 422 1HE LYS 63 HE2 LYS 63 73.784 2.905 8.657 423 2HE LYS 63 HE1 LYS 63 72.725 4.288 8.998 424 1HZ LYS 63 HZ1 LYS 63 72.613 2.633 10.774 425 2HZ LYS 63 HZ2 LYS 63 72.122 1.451 9.657 426 3HZ LYS 63 HZ3 LYS 63 71.119 2.783 9.984 427 H ILE 64 HN ILE 64 69.416 1.874 3.352 428 HA ILE 64 HA ILE 64 71.070 1.118 0.982 429 HB ILE 64 HB ILE 64 68.482 0.658 1.477 430 1HG1 ILE 64 HG12 ILE 64 69.046 1.637 -1.298 431 2HG1 ILE 64 HG11 ILE 64 70.028 0.317 -0.661 432 1HG2 ILE 64 HG21 ILE 64 68.472 3.394 0.165 433 2HG2 ILE 64 HG22 ILE 64 67.895 3.030 1.792 434 3HG2 ILE 64 HG23 ILE 64 67.060 2.361 0.390 435 1HD1 ILE 64 HD1 ILE 64 67.638 -0.613 0.079 436 2HD1 ILE 64 HD1 ILE 64 68.279 -0.910 -1.538 437 3HD1 ILE 64 HD1 ILE 64 67.106 0.381 -1.277 438 H SER 65 HN SER 65 70.946 2.921 -0.818 439 HA SER 65 HA SER 65 70.825 5.658 0.321 440 1HB SER 65 HB2 SER 65 73.126 4.432 0.612 441 2HB SER 65 HB1 SER 65 73.317 4.756 -1.110 442 HG SER 65 HG SER 65 73.746 6.401 0.895 443 H THR 66 HN THR 66 69.012 5.538 -1.325 444 HA THR 66 HA THR 66 68.136 6.089 -3.441 445 HB THR 66 HB THR 66 69.295 7.850 -4.494 446 HG1 THR 66 HG1 THR 66 71.248 7.433 -5.074 447 1HG2 THR 66 HG21 THR 66 69.602 9.233 -2.722 448 2HG2 THR 66 HG22 THR 66 70.820 8.186 -1.994 449 3HG2 THR 66 HG23 THR 66 69.107 7.835 -1.767 450 H CYS 67 HN CYS 67 67.782 4.397 -4.793 451 HA CYS 67 HA CYS 67 70.090 3.361 -6.381 452 1HB CYS 67 HB2 CYS 67 67.957 1.670 -5.044 453 2HB CYS 67 HB1 CYS 67 69.407 1.092 -5.865 454 H ILE 68 HN ILE 68 68.498 1.366 -7.708 455 HA ILE 68 HA ILE 68 66.523 3.101 -9.161 456 HB ILE 68 HB ILE 68 67.955 0.819 -10.479 457 1HG1 ILE 68 HG12 ILE 68 69.196 3.551 -10.001 458 2HG1 ILE 68 HG11 ILE 68 69.741 2.044 -9.264 459 1HG2 ILE 68 HG21 ILE 68 66.705 1.778 -12.116 460 2HG2 ILE 68 HG22 ILE 68 67.972 3.004 -12.147 461 3HG2 ILE 68 HG23 ILE 68 66.505 3.276 -11.207 462 1HD1 ILE 68 HD1 ILE 68 69.803 1.252 -11.812 463 2HD1 ILE 68 HD1 ILE 68 71.165 2.099 -11.078 464 3HD1 ILE 68 HD1 ILE 68 70.017 2.980 -12.086 465 H ILE 69 HN ILE 69 65.798 0.766 -10.846 466 HA ILE 69 HA ILE 69 63.628 -0.277 -9.312 467 HB ILE 69 HB ILE 69 65.025 -1.424 -11.758 468 1HG1 ILE 69 HG12 ILE 69 62.595 0.362 -11.787 469 2HG1 ILE 69 HG11 ILE 69 64.210 1.067 -11.746 470 1HG2 ILE 69 HG21 ILE 69 62.109 -1.633 -10.986 471 2HG2 ILE 69 HG22 ILE 69 63.297 -2.836 -10.483 472 3HG2 ILE 69 HG23 ILE 69 62.983 -2.569 -12.198 473 1HD1 ILE 69 HD1 ILE 69 63.326 0.783 -14.071 474 2HD1 ILE 69 HD1 ILE 69 63.286 -0.960 -13.802 475 3HD1 ILE 69 HD1 ILE 69 64.826 -0.099 -13.789 476 H THR 70 HN THR 70 63.428 -2.260 -8.164 477 HA THR 70 HA THR 70 65.995 -3.767 -7.750 478 HB THR 70 HB THR 70 63.760 -3.150 -5.790 479 HG1 THR 70 HG1 THR 70 65.063 -1.351 -6.397 480 1HG2 THR 70 HG21 THR 70 66.123 -3.852 -4.455 481 2HG2 THR 70 HG22 THR 70 65.974 -5.026 -5.763 482 3HG2 THR 70 HG23 THR 70 64.662 -4.831 -4.598 483 H GLY 71 HN GLY 71 62.676 -3.953 -8.641 484 1HA GLY 71 HA2 GLY 71 61.634 -6.332 -7.824 485 2HA GLY 71 HA1 GLY 71 61.541 -5.853 -9.517 486 H GLY 72 HN GLY 72 63.153 -7.893 -7.212 487 1HA GLY 72 HA2 GLY 72 64.828 -9.528 -7.470 488 2HA GLY 72 HA1 GLY 72 63.813 -9.997 -8.835 489 H VAL 73 HN VAL 73 65.397 -6.870 -8.719 490 HA VAL 73 HA VAL 73 67.288 -7.827 -10.847 491 HB VAL 73 HB VAL 73 66.853 -5.540 -11.843 492 1HG1 VAL 73 HG11 VAL 73 65.597 -6.970 -13.084 493 2HG1 VAL 73 HG12 VAL 73 64.235 -6.313 -12.176 494 3HG1 VAL 73 HG13 VAL 73 64.997 -7.817 -11.659 495 1HG2 VAL 73 HG21 VAL 73 65.942 -4.732 -9.539 496 2HG2 VAL 73 HG22 VAL 73 64.430 -5.479 -10.055 497 3HG2 VAL 73 HG23 VAL 73 65.135 -4.168 -11.001 498 HA PRO 74 HA PRO 74 69.636 -5.568 -7.557 499 1HB PRO 74 HB2 PRO 74 71.466 -7.540 -7.076 500 2HB PRO 74 HB1 PRO 74 69.907 -7.451 -6.236 501 1HG PRO 74 HG2 PRO 74 70.761 -9.217 -8.455 502 2HG PRO 74 HG1 PRO 74 69.640 -9.533 -7.123 503 1HD PRO 74 HD2 PRO 74 68.903 -8.938 -9.729 504 2HD PRO 74 HD1 PRO 74 67.853 -8.786 -8.303 505 H ALA 75 HN ALA 75 70.402 -7.292 -10.483 506 HA ALA 75 HA ALA 75 73.140 -6.576 -10.835 507 1HB ALA 75 HB1 ALA 75 71.321 -6.690 -13.184 508 2HB ALA 75 HB2 ALA 75 71.308 -8.094 -12.116 509 3HB ALA 75 HB3 ALA 75 72.813 -7.576 -12.874 510 HA PRO 76 HA PRO 76 71.546 -2.746 -13.246 511 1HB PRO 76 HB2 PRO 76 68.959 -1.958 -12.810 512 2HB PRO 76 HB1 PRO 76 69.429 -3.069 -14.113 513 1HG PRO 76 HG2 PRO 76 68.246 -3.674 -11.447 514 2HG PRO 76 HG1 PRO 76 67.905 -4.403 -13.026 515 1HD PRO 76 HD2 PRO 76 69.472 -5.588 -11.160 516 2HD PRO 76 HD1 PRO 76 69.699 -5.829 -12.903 517 H SER 77 HN SER 77 71.179 -3.530 -9.998 518 HA SER 77 HA SER 77 71.217 -0.637 -9.190 519 1HB SER 77 HB2 SER 77 70.527 -1.815 -6.926 520 2HB SER 77 HB1 SER 77 69.320 -1.578 -8.188 521 HG SER 77 HG SER 77 70.324 -3.872 -7.162 522 H ALA 78 HN ALA 78 73.340 -2.976 -9.844 523 HA ALA 78 HA ALA 78 74.914 -3.505 -7.580 524 1HB ALA 78 HB1 ALA 78 75.625 -2.840 -10.453 525 2HB ALA 78 HB2 ALA 78 75.411 -4.443 -9.750 526 3HB ALA 78 HB3 ALA 78 76.803 -3.459 -9.296 527 H ALA 79 HN ALA 79 74.343 -0.495 -9.227 528 HA ALA 79 HA ALA 79 76.642 0.918 -8.062 529 1HB ALA 79 HB1 ALA 79 75.883 1.626 -10.207 530 2HB ALA 79 HB2 ALA 79 75.288 2.864 -9.101 531 3HB ALA 79 HB3 ALA 79 74.193 1.612 -9.696 532 H CYS 80 HN CYS 80 73.577 -0.061 -6.988 533 HA CYS 80 HA CYS 80 72.844 2.204 -5.343 534 1HB CYS 80 HB2 CYS 80 71.179 0.631 -6.022 535 2HB CYS 80 HB1 CYS 80 72.143 -0.735 -5.472 536 H LYS 81 HN LYS 81 73.169 2.434 -3.064 537 HA LYS 81 HA LYS 81 75.477 0.865 -1.999 538 1HB LYS 81 HB2 LYS 81 75.002 3.559 -2.214 539 2HB LYS 81 HB1 LYS 81 74.488 3.242 -0.556 540 1HG LYS 81 HG2 LYS 81 76.723 3.516 -0.126 541 2HG LYS 81 HG1 LYS 81 76.782 1.816 -0.589 542 1HD LYS 81 HD2 LYS 81 77.077 4.028 -2.624 543 2HD LYS 81 HD1 LYS 81 78.461 3.383 -1.743 544 1HE LYS 81 HE2 LYS 81 76.542 1.640 -3.325 545 2HE LYS 81 HE1 LYS 81 78.075 2.256 -3.972 546 1HZ LYS 81 HZ1 LYS 81 77.686 0.536 -1.585 547 2HZ LYS 81 HZ2 LYS 81 79.148 1.331 -1.928 548 3HZ LYS 81 HZ3 LYS 81 78.542 0.158 -2.998 549 H ILE 82 HN ILE 82 74.582 -0.915 -0.984 550 HA ILE 82 HA ILE 82 72.469 -0.378 1.076 551 HB ILE 82 HB ILE 82 71.542 -1.563 -0.794 552 1HG1 ILE 82 HG12 ILE 82 71.174 -2.450 1.615 553 2HG1 ILE 82 HG11 ILE 82 70.705 -3.493 0.275 554 1HG2 ILE 82 HG21 ILE 82 74.000 -3.314 -0.567 555 2HG2 ILE 82 HG22 ILE 82 73.543 -2.277 -1.919 556 3HG2 ILE 82 HG23 ILE 82 72.602 -3.725 -1.560 557 1HD1 ILE 82 HD1 ILE 82 72.138 -5.084 0.964 558 2HD1 ILE 82 HD1 ILE 82 72.512 -4.094 2.373 559 3HD1 ILE 82 HD1 ILE 82 73.483 -3.947 0.912 560 H SER 83 HN SER 83 72.625 -1.726 2.999 561 HA SER 83 HA SER 83 75.136 -3.292 3.349 562 1HB SER 83 HB2 SER 83 75.645 -0.970 3.957 563 2HB SER 83 HB1 SER 83 74.244 -0.922 5.021 564 HG SER 83 HG SER 83 76.393 -2.761 5.270 565 H GLY 84 HN GLY 84 74.348 -5.230 4.102 566 1HA GLY 84 HA2 GLY 84 73.257 -6.733 5.546 567 2HA GLY 84 HA1 GLY 84 72.866 -5.358 6.582 568 H CYS 85 HN CYS 85 72.002 -6.092 3.198 569 HA CYS 85 HA CYS 85 69.116 -5.983 4.010 570 1HB CYS 85 HB2 CYS 85 70.585 -4.067 2.619 571 2HB CYS 85 HB1 CYS 85 69.722 -4.942 1.355 572 H THR 86 HN THR 86 67.739 -7.327 2.786 573 HA THR 86 HA THR 86 69.120 -9.312 1.019 574 HB THR 86 HB THR 86 66.509 -10.147 1.775 575 HG1 THR 86 HG1 THR 86 66.749 -9.991 4.057 576 1HG2 THR 86 HG21 THR 86 68.750 -11.166 3.375 577 2HG2 THR 86 HG22 THR 86 69.054 -11.177 1.637 578 3HG2 THR 86 HG23 THR 86 67.656 -12.028 2.293 579 H PHE 87 HN PHE 87 68.006 -9.894 -0.974 580 HA PHE 87 HA PHE 87 65.917 -7.913 -1.822 581 1HB PHE 87 HB2 PHE 87 68.066 -9.111 -3.583 582 2HB PHE 87 HB1 PHE 87 67.060 -7.702 -3.910 583 HD1 PHE 87 HD1 PHE 87 70.285 -8.471 -3.295 584 HD2 PHE 87 HD2 PHE 87 67.171 -6.062 -1.571 585 HE1 PHE 87 HE1 PHE 87 71.995 -6.998 -2.265 586 HE2 PHE 87 HE2 PHE 87 68.881 -4.590 -0.542 587 HZ PHE 87 HZ PHE 87 71.293 -5.057 -0.890 588 H SER 88 HN SER 88 64.501 -8.725 -3.560 589 HA SER 88 HA SER 88 64.457 -11.349 -4.610 590 1HB SER 88 HB2 SER 88 63.927 -11.163 -1.791 591 2HB SER 88 HB1 SER 88 62.458 -11.692 -2.606 592 HG SER 88 HG SER 88 64.815 -13.003 -2.200 593 H ALA 89 HN ALA 89 62.967 -11.166 -6.242 594 HA ALA 89 HA ALA 89 61.327 -9.028 -6.824 595 1HB ALA 89 HB1 ALA 89 61.443 -10.612 -8.500 596 2HB ALA 89 HB2 ALA 89 59.861 -11.034 -7.845 597 3HB ALA 89 HB3 ALA 89 61.287 -11.960 -7.375 598 H ASN 90 HN ASN 90 59.281 -8.310 -6.206 599 HA ASN 90 HA ASN 90 57.969 -9.796 -3.953 600 1HB ASN 90 HB2 ASN 90 58.744 -7.749 -3.103 601 2HB ASN 90 HB1 ASN 90 58.434 -6.896 -4.613 602 1HD2 ASN 90 HD2 ASN 90 56.746 -5.441 -4.315 603 2HD2 ASN 90 HD2 ASN 90 55.347 -5.741 -3.402 Start of MODEL 20 1 1H ASP 1 HT1 ASP 1 48.328 10.360 2.461 2 2H ASP 1 HT2 ASP 1 47.453 11.697 3.037 3 3H ASP 1 HT3 ASP 1 47.559 11.403 1.366 4 HA ASP 1 HA ASP 1 45.415 10.662 1.980 5 1HB ASP 1 HB2 ASP 1 47.045 9.227 0.587 6 2HB ASP 1 HB1 ASP 1 47.211 8.228 2.032 7 H GLY 2 HN GLY 2 47.814 8.909 3.999 8 1HA GLY 2 HA2 GLY 2 45.726 8.781 6.140 9 2HA GLY 2 HA1 GLY 2 47.025 7.600 5.957 10 H SER 3 HN SER 3 48.948 7.987 7.007 11 HA SER 3 HA SER 3 49.082 10.196 8.904 12 1HB SER 3 HB2 SER 3 49.944 7.796 9.133 13 2HB SER 3 HB1 SER 3 51.262 8.267 8.062 14 HG SER 3 HG SER 3 52.140 8.922 9.864 15 H CYS 4 HN CYS 4 51.249 9.209 6.219 16 HA CYS 4 HA CYS 4 51.674 12.094 5.581 17 1HB CYS 4 HB2 CYS 4 53.983 10.162 5.762 18 2HB CYS 4 HB1 CYS 4 54.018 11.921 5.816 19 H THR 5 HN THR 5 52.536 8.738 4.665 20 HA THR 5 HA THR 5 51.930 9.465 1.828 21 HB THR 5 HB THR 5 54.387 9.473 2.375 22 HG1 THR 5 HG1 THR 5 53.231 8.569 0.343 23 1HG2 THR 5 HG21 THR 5 53.750 6.597 3.053 24 2HG2 THR 5 HG22 THR 5 54.519 7.804 4.082 25 3HG2 THR 5 HG23 THR 5 55.384 7.151 2.691 26 H ASN 6 HN ASN 6 50.282 8.059 3.806 27 HA ASN 6 HA ASN 6 50.414 5.209 2.980 28 1HB ASN 6 HB2 ASN 6 49.964 6.363 5.348 29 2HB ASN 6 HB1 ASN 6 48.302 6.366 4.756 30 1HD2 ASN 6 HD2 ASN 6 50.928 3.942 4.288 31 2HD2 ASN 6 HD2 ASN 6 50.048 2.646 4.940 32 H THR 7 HN THR 7 49.830 6.154 0.687 33 HA THR 7 HA THR 7 46.915 6.711 0.418 34 HB THR 7 HB THR 7 48.386 8.234 -0.725 35 HG1 THR 7 HG1 THR 7 47.004 8.042 -2.277 36 1HG2 THR 7 HG21 THR 7 49.863 6.984 -2.599 37 2HG2 THR 7 HG22 THR 7 49.840 5.722 -1.368 38 3HG2 THR 7 HG23 THR 7 50.473 7.320 -0.979 39 H ASN 8 HN ASN 8 46.035 4.592 0.696 40 HA ASN 8 HA ASN 8 45.253 2.522 -0.148 41 1HB ASN 8 HB2 ASN 8 46.045 4.126 -2.332 42 2HB ASN 8 HB1 ASN 8 46.724 2.527 -2.637 43 1HD2 ASN 8 HD2 ASN 8 43.859 4.374 -2.854 44 2HD2 ASN 8 HD2 ASN 8 42.772 3.096 -3.113 45 H SER 9 HN SER 9 48.363 3.197 0.683 46 HA SER 9 HA SER 9 49.339 0.432 0.057 47 1HB SER 9 HB2 SER 9 50.663 2.222 -0.932 48 2HB SER 9 HB1 SER 9 50.760 3.055 0.618 49 HG SER 9 HG SER 9 52.606 1.681 -0.030 50 H GLN 10 HN GLN 10 51.328 0.189 1.910 51 HA GLN 10 HA GLN 10 50.122 0.760 4.577 52 1HB GLN 10 HB2 GLN 10 49.795 -1.633 3.252 53 2HB GLN 10 HB1 GLN 10 51.228 -1.952 4.230 54 1HG GLN 10 HG2 GLN 10 50.001 -2.067 6.117 55 2HG GLN 10 HG1 GLN 10 49.223 -0.523 5.769 56 1HE2 GLN 10 HE21 GLN 10 48.330 -3.552 6.461 57 2HE2 GLN 10 HE22 GLN 10 46.969 -3.730 5.460 58 H LEU 11 HN LEU 11 51.851 2.110 5.184 59 HA LEU 11 HA LEU 11 54.638 1.222 4.766 60 1HB LEU 11 HB2 LEU 11 53.604 3.609 4.592 61 2HB LEU 11 HB1 LEU 11 53.683 3.606 6.354 62 HG LEU 11 HG LEU 11 56.168 2.786 5.908 63 1HD1 LEU 11 HD1 LEU 11 56.628 2.730 3.692 64 2HD1 LEU 11 HD1 LEU 11 56.643 4.492 3.774 65 3HD1 LEU 11 HD1 LEU 11 55.174 3.644 3.289 66 1HD2 LEU 11 HD2 LEU 11 55.283 4.946 6.986 67 2HD2 LEU 11 HD2 LEU 11 55.486 5.689 5.398 68 3HD2 LEU 11 HD2 LEU 11 56.883 5.031 6.251 69 H SER 12 HN SER 12 52.735 -0.254 6.606 70 HA SER 12 HA SER 12 53.025 -1.444 8.630 71 1HB SER 12 HB2 SER 12 55.204 -1.621 9.325 72 2HB SER 12 HB1 SER 12 55.524 -0.777 7.812 73 HG SER 12 HG SER 12 56.408 0.093 9.907 74 H ALA 13 HN ALA 13 52.451 1.806 8.302 75 HA ALA 13 HA ALA 13 51.771 3.516 9.803 76 1HB ALA 13 HB1 ALA 13 49.792 2.583 10.377 77 2HB ALA 13 HB2 ALA 13 50.588 1.887 11.789 78 3HB ALA 13 HB3 ALA 13 50.490 0.966 10.288 79 H ASN 14 HN ASN 14 54.437 2.106 10.317 80 HA ASN 14 HA ASN 14 54.918 3.287 12.976 81 1HB ASN 14 HB2 ASN 14 55.646 1.181 13.953 82 2HB ASN 14 HB1 ASN 14 54.019 0.954 13.312 83 1HD2 ASN 14 HD2 ASN 14 53.932 -1.107 12.392 84 2HD2 ASN 14 HD2 ASN 14 55.131 -1.772 11.389 85 H SER 15 HN SER 15 55.849 3.182 9.949 86 HA SER 15 HA SER 15 58.758 2.735 10.452 87 1HB SER 15 HB2 SER 15 58.881 2.307 8.111 88 2HB SER 15 HB1 SER 15 57.338 1.608 8.589 89 HG SER 15 HG SER 15 56.290 3.300 7.714 90 H LYS 16 HN LYS 16 59.077 4.456 7.892 91 HA LYS 16 HA LYS 16 58.982 7.102 9.309 92 1HB LYS 16 HB2 LYS 16 61.163 5.827 8.458 93 2HB LYS 16 HB1 LYS 16 60.704 6.547 6.917 94 1HG LYS 16 HG2 LYS 16 60.475 8.752 8.305 95 2HG LYS 16 HG1 LYS 16 61.486 7.911 9.481 96 1HD LYS 16 HD2 LYS 16 62.679 7.450 6.961 97 2HD LYS 16 HD1 LYS 16 62.268 9.165 6.999 98 1HE LYS 16 HE2 LYS 16 63.316 8.577 9.562 99 2HE LYS 16 HE1 LYS 16 64.405 7.805 8.391 100 1HZ LYS 16 HZ1 LYS 16 63.443 10.617 8.314 101 2HZ LYS 16 HZ2 LYS 16 64.379 9.881 7.103 102 3HZ LYS 16 HZ3 LYS 16 65.024 10.110 8.659 103 H CYS 17 HN CYS 17 56.962 7.846 8.591 104 HA CYS 17 HA CYS 17 56.147 7.596 5.787 105 1HB CYS 17 HB2 CYS 17 54.114 8.568 6.619 106 2HB CYS 17 HB1 CYS 17 54.709 7.516 7.899 107 H GLU 18 HN GLU 18 58.576 8.953 5.782 108 HA GLU 18 HA GLU 18 58.013 11.862 5.761 109 1HB GLU 18 HB2 GLU 18 60.185 10.272 6.350 110 2HB GLU 18 HB1 GLU 18 60.583 10.859 4.735 111 1HG GLU 18 HG2 GLU 18 60.926 12.975 5.468 112 2HG GLU 18 HG1 GLU 18 59.483 12.945 6.481 113 H LYS 19 HN LYS 19 57.851 13.094 3.881 114 HA LYS 19 HA LYS 19 57.690 13.582 1.569 115 1HB LYS 19 HB2 LYS 19 59.851 11.967 1.850 116 2HB LYS 19 HB1 LYS 19 58.844 10.947 0.820 117 1HG LYS 19 HG2 LYS 19 58.670 13.598 -0.196 118 2HG LYS 19 HG1 LYS 19 60.379 13.255 0.078 119 1HD LYS 19 HD2 LYS 19 60.443 11.889 -1.709 120 2HD LYS 19 HD1 LYS 19 59.089 10.947 -1.084 121 1HE LYS 19 HE2 LYS 19 57.742 11.841 -2.668 122 2HE LYS 19 HE1 LYS 19 58.079 13.467 -2.038 123 1HZ LYS 19 HZ1 LYS 19 58.981 13.560 -4.153 124 2HZ LYS 19 HZ2 LYS 19 59.522 11.950 -4.118 125 3HZ LYS 19 HZ3 LYS 19 60.333 13.142 -3.218 126 H SER 20 HN SER 20 57.202 11.694 -0.539 127 HA SER 20 HA SER 20 54.582 10.519 0.341 128 1HB SER 20 HB2 SER 20 55.425 12.267 -1.930 129 2HB SER 20 HB1 SER 20 54.164 11.078 -2.248 130 HG SER 20 HG SER 20 53.196 11.961 -0.230 131 H THR 21 HN THR 21 53.925 9.130 -1.925 132 HA THR 21 HA THR 21 56.163 7.585 -2.985 133 HB THR 21 HB THR 21 55.817 6.868 -0.551 134 HG1 THR 21 HG1 THR 21 56.783 5.233 -1.407 135 1HG2 THR 21 HG21 THR 21 53.185 6.902 -1.148 136 2HG2 THR 21 HG22 THR 21 53.863 5.892 0.131 137 3HG2 THR 21 HG23 THR 21 53.533 5.200 -1.458 138 H LEU 22 HN LEU 22 54.375 5.167 -3.171 139 HA LEU 22 HA LEU 22 52.523 6.226 -5.280 140 1HB LEU 22 HB2 LEU 22 54.627 4.638 -5.643 141 2HB LEU 22 HB1 LEU 22 53.481 3.390 -5.150 142 HG LEU 22 HG LEU 22 51.990 4.870 -6.930 143 1HD1 LEU 22 HD1 LEU 22 53.598 4.941 -8.946 144 2HD1 LEU 22 HD1 LEU 22 54.896 4.885 -7.752 145 3HD1 LEU 22 HD1 LEU 22 53.753 6.227 -7.749 146 1HD2 LEU 22 HD2 LEU 22 51.882 2.869 -8.036 147 2HD2 LEU 22 HD2 LEU 22 52.773 2.280 -6.632 148 3HD2 LEU 22 HD2 LEU 22 53.637 2.703 -8.110 149 H THR 23 HN THR 23 51.462 3.390 -5.429 150 HA THR 23 HA THR 23 49.867 3.297 -2.898 151 HB THR 23 HB THR 23 48.461 4.490 -4.381 152 HG1 THR 23 HG1 THR 23 46.842 3.132 -4.441 153 1HG2 THR 23 HG21 THR 23 49.260 4.561 -6.505 154 2HG2 THR 23 HG22 THR 23 48.205 3.174 -6.770 155 3HG2 THR 23 HG23 THR 23 49.913 2.926 -6.413 156 H ASN 24 HN ASN 24 52.014 1.565 -3.548 157 HA ASN 24 HA ASN 24 50.603 -1.024 -3.596 158 1HB ASN 24 HB2 ASN 24 52.145 0.153 -5.852 159 2HB ASN 24 HB1 ASN 24 52.431 -1.555 -5.520 160 1HD2 ASN 24 HD2 ASN 24 50.731 -3.054 -5.995 161 2HD2 ASN 24 HD2 ASN 24 49.272 -2.589 -6.729 162 H CYS 25 HN CYS 25 51.776 -0.540 -1.365 163 HA CYS 25 HA CYS 25 54.343 -2.016 -1.424 164 1HB CYS 25 HB2 CYS 25 53.991 0.897 -1.027 165 2HB CYS 25 HB1 CYS 25 55.058 0.105 0.131 166 H TYR 26 HN TYR 26 54.223 -3.433 0.257 167 HA TYR 26 HA TYR 26 52.604 -2.680 2.666 168 1HB TYR 26 HB2 TYR 26 52.303 -4.800 1.025 169 2HB TYR 26 HB1 TYR 26 53.513 -5.472 2.118 170 HD1 TYR 26 HD1 TYR 26 50.090 -5.227 1.602 171 HD2 TYR 26 HD2 TYR 26 53.011 -4.776 4.720 172 HE1 TYR 26 HE1 TYR 26 48.332 -5.624 3.308 173 HE2 TYR 26 HE2 TYR 26 51.253 -5.172 6.424 174 HH TYR 26 HH TYR 26 48.877 -6.492 6.341 175 H VAL 27 HN VAL 27 54.309 -1.580 3.786 176 HA VAL 27 HA VAL 27 56.895 -2.985 4.154 177 HB VAL 27 HB VAL 27 55.954 -0.341 5.309 178 1HG1 VAL 27 HG11 VAL 27 58.635 -0.276 4.387 179 2HG1 VAL 27 HG12 VAL 27 58.438 -1.800 5.255 180 3HG1 VAL 27 HG13 VAL 27 58.069 -0.276 6.062 181 1HG2 VAL 27 HG21 VAL 27 57.438 0.112 2.942 182 2HG2 VAL 27 HG22 VAL 27 55.732 0.465 3.218 183 3HG2 VAL 27 HG23 VAL 27 56.211 -1.088 2.531 184 H ASP 28 HN ASP 28 57.777 -3.055 6.446 185 HA ASP 28 HA ASP 28 55.732 -3.237 8.593 186 1HB ASP 28 HB2 ASP 28 56.688 -5.434 7.053 187 2HB ASP 28 HB1 ASP 28 57.397 -5.580 8.662 188 H LYS 29 HN LYS 29 56.668 -2.151 10.303 189 HA LYS 29 HA LYS 29 58.373 -1.189 11.650 190 1HB LYS 29 HB2 LYS 29 58.298 -3.958 11.718 191 2HB LYS 29 HB1 LYS 29 60.007 -3.626 11.430 192 1HG LYS 29 HG2 LYS 29 60.207 -2.341 13.410 193 2HG LYS 29 HG1 LYS 29 58.459 -2.173 13.576 194 1HD LYS 29 HD2 LYS 29 58.416 -4.743 13.796 195 2HD LYS 29 HD1 LYS 29 60.155 -4.621 14.060 196 1HE LYS 29 HE2 LYS 29 59.816 -3.999 16.208 197 2HE LYS 29 HE1 LYS 29 58.776 -2.659 15.685 198 1HZ LYS 29 HZ1 LYS 29 57.868 -5.480 15.706 199 2HZ LYS 29 HZ2 LYS 29 56.919 -4.080 15.540 200 3HZ LYS 29 HZ3 LYS 29 57.646 -4.447 17.032 201 H SER 30 HN SER 30 58.808 -0.085 9.278 202 HA SER 30 HA SER 30 61.715 -0.561 8.679 203 1HB SER 30 HB2 SER 30 59.695 0.442 6.686 204 2HB SER 30 HB1 SER 30 61.211 -0.408 6.388 205 HG SER 30 HG SER 30 60.056 -2.163 7.667 206 H GLU 31 HN GLU 31 62.228 1.495 7.041 207 HA GLU 31 HA GLU 31 61.234 4.016 8.261 208 1HB GLU 31 HB2 GLU 31 63.812 2.725 8.699 209 2HB GLU 31 HB1 GLU 31 64.014 4.334 8.004 210 1HG GLU 31 HG2 GLU 31 62.003 4.640 9.930 211 2HG GLU 31 HG1 GLU 31 63.199 3.592 10.693 212 H VAL 32 HN VAL 32 60.386 4.828 6.305 213 HA VAL 32 HA VAL 32 62.165 4.681 3.900 214 HB VAL 32 HB VAL 32 59.176 5.030 4.256 215 1HG1 VAL 32 HG11 VAL 32 60.664 5.979 2.156 216 2HG1 VAL 32 HG12 VAL 32 58.978 5.474 2.035 217 3HG1 VAL 32 HG13 VAL 32 60.268 4.351 1.602 218 1HG2 VAL 32 HG21 VAL 32 59.012 2.775 3.437 219 2HG2 VAL 32 HG22 VAL 32 60.226 2.753 4.717 220 3HG2 VAL 32 HG23 VAL 32 60.726 2.734 3.024 221 H TYR 33 HN TYR 33 62.817 6.549 2.909 222 HA TYR 33 HA TYR 33 61.966 9.144 4.135 223 1HB TYR 33 HB2 TYR 33 64.420 8.107 3.901 224 2HB TYR 33 HB1 TYR 33 64.315 8.827 2.295 225 HD1 TYR 33 HD1 TYR 33 62.310 11.051 3.417 226 HD2 TYR 33 HD2 TYR 33 66.236 9.690 4.508 227 HE1 TYR 33 HE1 TYR 33 62.813 13.278 4.386 228 HE2 TYR 33 HE2 TYR 33 66.738 11.917 5.477 229 HH TYR 33 HH TYR 33 64.411 14.182 6.179 230 H GLY 34 HN GLY 34 63.285 10.356 1.623 231 1HA GLY 34 HA2 GLY 34 60.854 10.732 0.115 232 2HA GLY 34 HA1 GLY 34 62.457 11.278 -0.378 233 H THR 35 HN THR 35 60.783 8.140 0.070 234 HA THR 35 HA THR 35 62.131 7.200 -2.435 235 HB THR 35 HB THR 35 61.304 5.973 0.172 236 HG1 THR 35 HG1 THR 35 63.448 5.005 -1.209 237 1HG2 THR 35 HG21 THR 35 61.326 4.569 -2.495 238 2HG2 THR 35 HG22 THR 35 60.143 4.445 -1.193 239 3HG2 THR 35 HG23 THR 35 61.731 3.700 -1.015 240 H THR 36 HN THR 36 60.835 5.896 -3.889 241 HA THR 36 HA THR 36 57.931 6.612 -3.815 242 HB THR 36 HB THR 36 59.001 7.431 -5.777 243 HG1 THR 36 HG1 THR 36 58.315 5.672 -7.375 244 1HG2 THR 36 HG21 THR 36 61.097 6.537 -6.005 245 2HG2 THR 36 HG22 THR 36 60.273 5.484 -7.158 246 3HG2 THR 36 HG23 THR 36 60.574 4.927 -5.512 247 H CYS 37 HN CYS 37 56.782 4.736 -5.356 248 HA CYS 37 HA CYS 37 57.687 2.044 -4.497 249 1HB CYS 37 HB2 CYS 37 55.536 3.633 -3.306 250 2HB CYS 37 HB1 CYS 37 54.991 2.043 -3.841 251 H THR 38 HN THR 38 57.912 2.107 -6.960 252 HA THR 38 HA THR 38 55.364 2.004 -8.468 253 HB THR 38 HB THR 38 58.120 1.418 -9.537 254 HG1 THR 38 HG1 THR 38 58.016 3.864 -9.816 255 1HG2 THR 38 HG21 THR 38 56.337 3.272 -10.938 256 2HG2 THR 38 HG22 THR 38 55.619 1.680 -10.687 257 3HG2 THR 38 HG23 THR 38 57.157 1.831 -11.538 258 H GLY 39 HN GLY 39 55.487 -0.063 -6.578 259 1HA GLY 39 HA2 GLY 39 54.752 -2.361 -6.912 260 2HA GLY 39 HA1 GLY 39 55.751 -2.431 -8.366 261 H SER 40 HN SER 40 55.736 -2.758 -4.898 262 HA SER 40 HA SER 40 58.170 -4.327 -4.918 263 1HB SER 40 HB2 SER 40 59.680 -2.739 -4.000 264 2HB SER 40 HB1 SER 40 58.841 -1.857 -5.273 265 HG SER 40 HG SER 40 58.327 -0.531 -3.733 266 H ARG 41 HN ARG 41 58.898 -4.702 -2.538 267 HA ARG 41 HA ARG 41 56.598 -4.379 -0.648 268 1HB ARG 41 HB2 ARG 41 56.817 -6.643 -1.898 269 2HB ARG 41 HB1 ARG 41 58.232 -6.906 -0.877 270 1HG ARG 41 HG2 ARG 41 55.416 -6.332 0.094 271 2HG ARG 41 HG1 ARG 41 56.246 -7.885 0.175 272 1HD ARG 41 HD2 ARG 41 58.089 -6.434 1.465 273 2HD ARG 41 HD1 ARG 41 56.676 -5.424 1.841 274 HE ARG 41 HE ARG 41 57.130 -8.150 2.800 275 1HH1 ARG 41 HH2 ARG 41 54.493 -8.272 1.399 276 2HH1 ARG 41 HH2 ARG 41 53.390 -7.793 2.647 277 1HH2 ARG 41 HH1 ARG 41 55.856 -6.431 4.670 278 2HH2 ARG 41 HH1 ARG 41 54.163 -6.755 4.501 279 H PHE 42 HN PHE 42 57.268 -3.740 1.360 280 HA PHE 42 HA PHE 42 60.212 -3.805 1.923 281 1HB PHE 42 HB2 PHE 42 57.940 -1.935 2.491 282 2HB PHE 42 HB1 PHE 42 59.330 -1.940 3.573 283 HD1 PHE 42 HD1 PHE 42 58.932 -2.284 -0.154 284 HD2 PHE 42 HD2 PHE 42 60.749 -0.178 3.119 285 HE1 PHE 42 HE1 PHE 42 60.209 -0.893 -1.767 286 HE2 PHE 42 HE2 PHE 42 62.026 1.215 1.507 287 HZ PHE 42 HZ PHE 42 61.757 0.858 -0.933 288 H ASP 43 HN ASP 43 60.748 -4.103 4.258 289 HA ASP 43 HA ASP 43 58.831 -5.033 6.198 290 1HB ASP 43 HB2 ASP 43 58.655 -6.864 4.549 291 2HB ASP 43 HB1 ASP 43 60.399 -7.108 4.624 292 H GLY 44 HN GLY 44 59.996 -4.187 7.929 293 1HA GLY 44 HA2 GLY 44 61.849 -3.714 9.312 294 2HA GLY 44 HA1 GLY 44 62.352 -5.364 8.927 295 H VAL 45 HN VAL 45 62.237 -2.144 7.362 296 HA VAL 45 HA VAL 45 65.024 -2.610 6.394 297 HB VAL 45 HB VAL 45 62.464 -2.306 4.862 298 1HG1 VAL 45 HG11 VAL 45 64.949 -0.846 4.273 299 2HG1 VAL 45 HG12 VAL 45 63.326 -0.620 3.616 300 3HG1 VAL 45 HG13 VAL 45 64.392 -1.852 2.936 301 1HG2 VAL 45 HG21 VAL 45 63.614 -3.968 3.414 302 2HG2 VAL 45 HG22 VAL 45 63.515 -4.501 5.092 303 3HG2 VAL 45 HG23 VAL 45 65.033 -3.865 4.459 304 H THR 46 HN THR 46 66.220 -0.782 6.726 305 HA THR 46 HA THR 46 64.784 1.805 7.165 306 HB THR 46 HB THR 46 67.648 1.037 7.804 307 HG1 THR 46 HG1 THR 46 65.257 0.801 9.299 308 1HG2 THR 46 HG21 THR 46 67.791 3.051 8.884 309 2HG2 THR 46 HG22 THR 46 66.090 3.034 9.356 310 3HG2 THR 46 HG23 THR 46 66.546 3.496 7.714 311 H ILE 47 HN ILE 47 64.579 2.507 4.998 312 HA ILE 47 HA ILE 47 67.124 2.804 3.443 313 HB ILE 47 HB ILE 47 65.546 2.841 1.497 314 1HG1 ILE 47 HG12 ILE 47 63.228 1.804 2.796 315 2HG1 ILE 47 HG11 ILE 47 63.673 3.302 3.614 316 1HG2 ILE 47 HG21 ILE 47 66.180 0.663 1.667 317 2HG2 ILE 47 HG22 ILE 47 64.532 0.419 2.247 318 3HG2 ILE 47 HG23 ILE 47 65.855 0.604 3.400 319 1HD1 ILE 47 HD1 ILE 47 63.388 3.015 0.609 320 2HD1 ILE 47 HD1 ILE 47 63.698 4.506 1.497 321 3HD1 ILE 47 HD1 ILE 47 62.148 3.684 1.671 322 H THR 48 HN THR 48 67.086 4.805 1.971 323 HA THR 48 HA THR 48 65.870 7.103 3.461 324 HB THR 48 HB THR 48 68.447 6.649 3.155 325 HG1 THR 48 HG1 THR 48 67.971 9.226 2.387 326 1HG2 THR 48 HG21 THR 48 69.377 7.008 1.111 327 2HG2 THR 48 HG22 THR 48 68.266 8.326 0.735 328 3HG2 THR 48 HG23 THR 48 67.757 6.653 0.511 329 H THR 49 HN THR 49 66.557 8.903 1.212 330 HA THR 49 HA THR 49 64.114 8.652 -0.338 331 HB THR 49 HB THR 49 66.590 10.398 -0.515 332 HG1 THR 49 HG1 THR 49 65.536 11.640 0.822 333 1HG2 THR 49 HG21 THR 49 64.114 11.395 -1.729 334 2HG2 THR 49 HG22 THR 49 64.777 9.986 -2.555 335 3HG2 THR 49 HG23 THR 49 65.764 11.432 -2.349 336 H SER 50 HN SER 50 64.251 6.654 -1.542 337 HA SER 50 HA SER 50 66.213 6.752 -3.797 338 1HB SER 50 HB2 SER 50 65.698 4.066 -2.771 339 2HB SER 50 HB1 SER 50 67.236 4.860 -3.091 340 HG SER 50 HG SER 50 67.322 4.848 -0.974 341 H THR 51 HN THR 51 65.562 5.484 -5.650 342 HA THR 51 HA THR 51 62.600 5.127 -5.842 343 HB THR 51 HB THR 51 64.731 5.297 -8.000 344 HG1 THR 51 HG1 THR 51 64.731 7.346 -7.639 345 1HG2 THR 51 HG21 THR 51 61.838 6.031 -8.305 346 2HG2 THR 51 HG22 THR 51 62.316 4.334 -8.375 347 3HG2 THR 51 HG23 THR 51 62.986 5.487 -9.529 348 H SER 52 HN SER 52 63.834 3.068 -4.476 349 HA SER 52 HA SER 52 64.382 0.911 -6.466 350 1HB SER 52 HB2 SER 52 65.506 1.715 -4.029 351 2HB SER 52 HB1 SER 52 64.611 0.250 -3.638 352 HG SER 52 HG SER 52 66.818 -0.052 -4.414 353 H THR 53 HN THR 53 62.361 0.125 -7.102 354 HA THR 53 HA THR 53 60.683 -1.060 -4.934 355 HB THR 53 HB THR 53 58.686 -0.123 -6.068 356 HG1 THR 53 HG1 THR 53 58.872 0.830 -7.929 357 1HG2 THR 53 HG21 THR 53 59.180 2.316 -5.585 358 2HG2 THR 53 HG22 THR 53 60.851 1.841 -5.286 359 3HG2 THR 53 HG23 THR 53 59.560 1.204 -4.269 360 H GLY 54 HN GLY 54 60.709 -3.228 -5.459 361 1HA GLY 54 HA2 GLY 54 59.472 -4.356 -7.675 362 2HA GLY 54 HA1 GLY 54 61.152 -4.158 -8.170 363 H SER 55 HN SER 55 62.067 -4.552 -5.336 364 HA SER 55 HA SER 55 61.685 -7.523 -5.221 365 1HB SER 55 HB2 SER 55 64.022 -7.511 -4.342 366 2HB SER 55 HB1 SER 55 63.910 -6.815 -5.955 367 HG SER 55 HG SER 55 64.737 -5.090 -5.103 368 H ARG 56 HN ARG 56 61.892 -8.449 -3.008 369 HA ARG 56 HA ARG 56 60.589 -6.683 -1.007 370 1HB ARG 56 HB2 ARG 56 59.708 -8.937 -1.467 371 2HB ARG 56 HB1 ARG 56 61.275 -9.645 -1.074 372 1HG ARG 56 HG2 ARG 56 61.100 -8.867 1.229 373 2HG ARG 56 HG1 ARG 56 59.597 -8.020 0.861 374 1HD ARG 56 HD2 ARG 56 58.383 -9.919 1.124 375 2HD ARG 56 HD1 ARG 56 59.476 -10.832 0.064 376 HE ARG 56 HE ARG 56 60.519 -10.191 2.753 377 1HH1 ARG 56 HH1 ARG 56 58.065 -12.195 2.239 378 2HH1 ARG 56 HH1 ARG 56 58.917 -13.690 2.443 379 1HH2 ARG 56 HH2 ARG 56 62.057 -12.223 2.314 380 2HH2 ARG 56 HH2 ARG 56 61.177 -13.706 2.483 381 H ILE 57 HN ILE 57 61.917 -5.570 0.386 382 HA ILE 57 HA ILE 57 64.684 -6.574 0.801 383 HB ILE 57 HB ILE 57 63.320 -3.956 1.474 384 1HG1 ILE 57 HG12 ILE 57 64.527 -5.066 -0.960 385 2HG1 ILE 57 HG11 ILE 57 63.535 -3.625 -0.766 386 1HG2 ILE 57 HG21 ILE 57 65.363 -4.759 2.856 387 2HG2 ILE 57 HG22 ILE 57 65.442 -3.152 2.141 388 3HG2 ILE 57 HG23 ILE 57 66.283 -4.500 1.378 389 1HD1 ILE 57 HD1 ILE 57 65.850 -3.123 -1.590 390 2HD1 ILE 57 HD1 ILE 57 66.484 -3.772 -0.075 391 3HD1 ILE 57 HD1 ILE 57 65.472 -2.325 -0.061 392 H SER 58 HN SER 58 65.572 -6.790 2.883 393 HA SER 58 HA SER 58 63.744 -6.634 5.222 394 1HB SER 58 HB2 SER 58 64.448 -9.025 3.793 395 2HB SER 58 HB1 SER 58 65.180 -9.094 5.394 396 HG SER 58 HG SER 58 63.171 -8.785 6.299 397 H GLY 59 HN GLY 59 64.892 -6.117 7.119 398 1HA GLY 59 HA2 GLY 59 67.569 -6.724 7.710 399 2HA GLY 59 HA1 GLY 59 67.613 -5.192 6.836 400 HA PRO 60 HA PRO 60 65.708 -4.713 11.233 401 1HB PRO 60 HB2 PRO 60 67.586 -5.551 13.046 402 2HB PRO 60 HB1 PRO 60 66.269 -6.595 12.473 403 1HG PRO 60 HG2 PRO 60 69.125 -6.524 11.642 404 2HG PRO 60 HG1 PRO 60 68.047 -7.910 11.863 405 1HD PRO 60 HD2 PRO 60 68.680 -6.872 9.421 406 2HD PRO 60 HD1 PRO 60 67.156 -7.721 9.762 407 H GLY 61 HN GLY 61 68.587 -4.163 9.583 408 1HA GLY 61 HA2 GLY 61 68.851 -1.469 10.644 409 2HA GLY 61 HA1 GLY 61 70.213 -2.513 11.058 410 H CYS 62 HN CYS 62 68.354 -2.779 8.049 411 HA CYS 62 HA CYS 62 70.767 -2.722 6.438 412 1HB CYS 62 HB2 CYS 62 68.948 -3.998 5.647 413 2HB CYS 62 HB1 CYS 62 67.784 -2.720 5.990 414 H LYS 63 HN LYS 63 71.206 -1.092 4.745 415 HA LYS 63 HA LYS 63 69.983 1.601 5.184 416 1HB LYS 63 HB2 LYS 63 72.940 0.899 5.161 417 2HB LYS 63 HB1 LYS 63 72.301 2.542 5.193 418 1HG LYS 63 HG2 LYS 63 71.046 0.980 7.266 419 2HG LYS 63 HG1 LYS 63 72.798 0.851 7.406 420 1HD LYS 63 HD2 LYS 63 72.801 3.426 7.087 421 2HD LYS 63 HD1 LYS 63 71.084 3.330 7.482 422 1HE LYS 63 HE2 LYS 63 71.566 2.323 9.637 423 2HE LYS 63 HE1 LYS 63 73.287 2.183 9.235 424 1HZ LYS 63 HZ1 LYS 63 73.411 4.206 10.185 425 2HZ LYS 63 HZ2 LYS 63 71.755 4.529 9.990 426 3HZ LYS 63 HZ3 LYS 63 72.826 4.759 8.692 427 H ILE 64 HN ILE 64 69.143 1.985 3.120 428 HA ILE 64 HA ILE 64 70.742 1.131 0.746 429 HB ILE 64 HB ILE 64 68.176 0.718 1.253 430 1HG1 ILE 64 HG12 ILE 64 68.763 1.805 -1.495 431 2HG1 ILE 64 HG11 ILE 64 69.582 0.349 -0.924 432 1HG2 ILE 64 HG21 ILE 64 67.536 3.019 1.668 433 2HG2 ILE 64 HG22 ILE 64 66.778 2.493 0.167 434 3HG2 ILE 64 HG23 ILE 64 68.202 3.529 0.120 435 1HD1 ILE 64 HD1 ILE 64 67.397 -0.697 -0.452 436 2HD1 ILE 64 HD1 ILE 64 67.517 -0.220 -2.147 437 3HD1 ILE 64 HD1 ILE 64 66.581 0.762 -1.019 438 H SER 65 HN SER 65 70.658 2.847 -1.124 439 HA SER 65 HA SER 65 70.580 5.638 -0.139 440 1HB SER 65 HB2 SER 65 72.791 5.221 0.459 441 2HB SER 65 HB1 SER 65 73.027 4.050 -0.835 442 HG SER 65 HG SER 65 73.932 5.690 -1.800 443 H THR 66 HN THR 66 68.897 5.817 -1.765 444 HA THR 66 HA THR 66 68.076 6.292 -3.926 445 HB THR 66 HB THR 66 69.522 7.733 -5.144 446 HG1 THR 66 HG1 THR 66 71.423 6.991 -5.549 447 1HG2 THR 66 HG21 THR 66 70.709 9.033 -3.354 448 2HG2 THR 66 HG22 THR 66 70.342 7.725 -2.230 449 3HG2 THR 66 HG23 THR 66 69.032 8.653 -2.960 450 H CYS 67 HN CYS 67 67.474 4.395 -4.922 451 HA CYS 67 HA CYS 67 69.598 2.879 -6.407 452 1HB CYS 67 HB2 CYS 67 66.996 1.989 -5.114 453 2HB CYS 67 HB1 CYS 67 68.040 0.935 -6.064 454 H ILE 68 HN ILE 68 67.526 1.347 -7.839 455 HA ILE 68 HA ILE 68 66.196 3.503 -9.437 456 HB ILE 68 HB ILE 68 67.024 2.295 -11.479 457 1HG1 ILE 68 HG12 ILE 68 67.417 0.155 -10.033 458 2HG1 ILE 68 HG11 ILE 68 68.542 0.511 -11.340 459 1HG2 ILE 68 HG21 ILE 68 68.216 4.268 -10.786 460 2HG2 ILE 68 HG22 ILE 68 69.421 3.051 -11.211 461 3HG2 ILE 68 HG23 ILE 68 69.059 3.381 -9.516 462 1HD1 ILE 68 HD1 ILE 68 69.200 0.085 -8.653 463 2HD1 ILE 68 HD1 ILE 68 69.341 1.829 -8.866 464 3HD1 ILE 68 HD1 ILE 68 70.264 0.738 -9.899 465 H ILE 69 HN ILE 69 64.615 2.448 -11.058 466 HA ILE 69 HA ILE 69 62.682 0.862 -9.740 467 HB ILE 69 HB ILE 69 61.648 0.732 -11.891 468 1HG1 ILE 69 HG12 ILE 69 63.583 -0.382 -13.012 469 2HG1 ILE 69 HG11 ILE 69 62.885 0.907 -13.992 470 1HG2 ILE 69 HG21 ILE 69 61.661 2.963 -12.558 471 2HG2 ILE 69 HG22 ILE 69 63.404 3.122 -12.348 472 3HG2 ILE 69 HG23 ILE 69 62.346 3.085 -10.937 473 1HD1 ILE 69 HD1 ILE 69 65.245 1.233 -14.097 474 2HD1 ILE 69 HD1 ILE 69 65.429 0.988 -12.361 475 3HD1 ILE 69 HD1 ILE 69 64.649 2.449 -12.968 476 H THR 70 HN THR 70 62.461 -1.375 -9.466 477 HA THR 70 HA THR 70 64.306 -3.164 -10.984 478 HB THR 70 HB THR 70 65.527 -2.594 -8.992 479 HG1 THR 70 HG1 THR 70 64.432 -4.909 -7.994 480 1HG2 THR 70 HG21 THR 70 63.635 -1.639 -7.736 481 2HG2 THR 70 HG22 THR 70 64.523 -2.799 -6.749 482 3HG2 THR 70 HG23 THR 70 62.985 -3.257 -7.479 483 H GLY 71 HN GLY 71 63.801 -5.509 -9.693 484 1HA GLY 71 HA2 GLY 71 61.044 -5.984 -9.017 485 2HA GLY 71 HA1 GLY 71 61.344 -6.418 -10.702 486 H GLY 72 HN GLY 72 63.805 -6.657 -8.221 487 1HA GLY 72 HA2 GLY 72 63.984 -8.888 -6.966 488 2HA GLY 72 HA1 GLY 72 63.736 -9.627 -8.549 489 H VAL 73 HN VAL 73 65.939 -7.495 -6.742 490 HA VAL 73 HA VAL 73 68.045 -7.899 -8.795 491 HB VAL 73 HB VAL 73 69.258 -6.278 -7.244 492 1HG1 VAL 73 HG11 VAL 73 66.910 -4.720 -7.723 493 2HG1 VAL 73 HG12 VAL 73 67.076 -5.881 -9.040 494 3HG1 VAL 73 HG13 VAL 73 68.397 -4.772 -8.670 495 1HG2 VAL 73 HG21 VAL 73 67.369 -7.092 -5.416 496 2HG2 VAL 73 HG22 VAL 73 66.708 -5.549 -5.958 497 3HG2 VAL 73 HG23 VAL 73 68.332 -5.621 -5.272 498 HA PRO 74 HA PRO 74 69.629 -11.260 -6.326 499 1HB PRO 74 HB2 PRO 74 71.726 -11.860 -7.975 500 2HB PRO 74 HB1 PRO 74 70.055 -12.343 -8.327 501 1HG PRO 74 HG2 PRO 74 71.652 -10.104 -9.450 502 2HG PRO 74 HG1 PRO 74 70.464 -11.151 -10.238 503 1HD PRO 74 HD2 PRO 74 69.951 -8.588 -9.405 504 2HD PRO 74 HD1 PRO 74 68.708 -9.842 -9.607 505 H ALA 75 HN ALA 75 71.487 -11.533 -4.946 506 HA ALA 75 HA ALA 75 73.376 -10.828 -3.709 507 1HB ALA 75 HB1 ALA 75 74.172 -8.849 -5.755 508 2HB ALA 75 HB2 ALA 75 73.917 -10.479 -6.376 509 3HB ALA 75 HB3 ALA 75 75.087 -10.201 -5.086 510 HA PRO 76 HA PRO 76 72.414 -6.989 -1.817 511 1HB PRO 76 HB2 PRO 76 74.825 -5.782 -1.351 512 2HB PRO 76 HB1 PRO 76 74.271 -7.213 -0.460 513 1HG PRO 76 HG2 PRO 76 76.208 -7.016 -2.704 514 2HG PRO 76 HG1 PRO 76 76.225 -8.074 -1.287 515 1HD PRO 76 HD2 PRO 76 75.454 -8.874 -3.794 516 2HD PRO 76 HD1 PRO 76 74.913 -9.648 -2.289 517 H SER 77 HN SER 77 71.701 -6.523 -4.301 518 HA SER 77 HA SER 77 71.309 -4.718 -5.792 519 1HB SER 77 HB2 SER 77 71.701 -2.656 -4.879 520 2HB SER 77 HB1 SER 77 72.096 -3.597 -3.444 521 HG SER 77 HG SER 77 74.175 -3.238 -3.770 522 H ALA 78 HN ALA 78 74.803 -4.945 -4.912 523 HA ALA 78 HA ALA 78 76.691 -4.930 -6.348 524 1HB ALA 78 HB1 ALA 78 75.764 -6.132 -8.648 525 2HB ALA 78 HB2 ALA 78 74.542 -6.624 -7.475 526 3HB ALA 78 HB3 ALA 78 76.239 -7.012 -7.196 527 H ALA 79 HN ALA 79 74.565 -2.774 -6.425 528 HA ALA 79 HA ALA 79 75.553 -1.332 -8.801 529 1HB ALA 79 HB1 ALA 79 72.909 -0.944 -9.177 530 2HB ALA 79 HB2 ALA 79 72.847 -2.553 -8.451 531 3HB ALA 79 HB3 ALA 79 73.770 -2.286 -9.933 532 H CYS 80 HN CYS 80 72.842 -1.235 -6.468 533 HA CYS 80 HA CYS 80 73.240 1.629 -5.947 534 1HB CYS 80 HB2 CYS 80 71.063 0.225 -6.102 535 2HB CYS 80 HB1 CYS 80 71.465 -0.333 -4.478 536 H LYS 81 HN LYS 81 73.136 2.143 -3.395 537 HA LYS 81 HA LYS 81 75.415 0.656 -2.167 538 1HB LYS 81 HB2 LYS 81 74.266 3.411 -2.083 539 2HB LYS 81 HB1 LYS 81 75.076 2.833 -0.625 540 1HG LYS 81 HG2 LYS 81 76.691 3.972 -2.072 541 2HG LYS 81 HG1 LYS 81 77.069 2.250 -1.995 542 1HD LYS 81 HD2 LYS 81 75.180 2.857 -4.135 543 2HD LYS 81 HD1 LYS 81 76.699 3.736 -4.322 544 1HE LYS 81 HE2 LYS 81 76.767 0.805 -3.631 545 2HE LYS 81 HE1 LYS 81 76.526 1.312 -5.315 546 1HZ LYS 81 HZ1 LYS 81 78.703 2.270 -3.529 547 2HZ LYS 81 HZ2 LYS 81 78.472 2.719 -5.151 548 3HZ LYS 81 HZ3 LYS 81 78.893 1.121 -4.761 549 H ILE 82 HN ILE 82 74.515 -1.069 -1.014 550 HA ILE 82 HA ILE 82 72.447 -0.360 1.038 551 HB ILE 82 HB ILE 82 71.623 -1.573 -1.045 552 1HG1 ILE 82 HG12 ILE 82 70.674 -3.541 0.548 553 2HG1 ILE 82 HG11 ILE 82 71.302 -2.447 1.780 554 1HG2 ILE 82 HG21 ILE 82 72.159 -3.977 -1.190 555 2HG2 ILE 82 HG22 ILE 82 73.266 -3.812 0.173 556 3HG2 ILE 82 HG23 ILE 82 73.617 -2.997 -1.349 557 1HD1 ILE 82 HD1 ILE 82 69.955 -0.627 0.965 558 2HD1 ILE 82 HD1 ILE 82 68.893 -2.025 1.129 559 3HD1 ILE 82 HD1 ILE 82 69.481 -1.545 -0.464 560 H SER 83 HN SER 83 72.632 -1.566 3.021 561 HA SER 83 HA SER 83 75.007 -3.365 3.272 562 1HB SER 83 HB2 SER 83 74.516 -0.693 4.436 563 2HB SER 83 HB1 SER 83 75.091 -1.901 5.582 564 HG SER 83 HG SER 83 76.639 -2.349 3.694 565 H GLY 84 HN GLY 84 74.225 -5.242 4.151 566 1HA GLY 84 HA2 GLY 84 73.125 -6.661 5.674 567 2HA GLY 84 HA1 GLY 84 72.721 -5.232 6.625 568 H CYS 85 HN CYS 85 71.880 -6.064 3.257 569 HA CYS 85 HA CYS 85 68.991 -5.905 4.064 570 1HB CYS 85 HB2 CYS 85 70.533 -4.181 2.460 571 2HB CYS 85 HB1 CYS 85 69.546 -5.111 1.331 572 H THR 86 HN THR 86 67.543 -7.200 2.796 573 HA THR 86 HA THR 86 68.863 -9.388 1.217 574 HB THR 86 HB THR 86 66.260 -10.127 2.108 575 HG1 THR 86 HG1 THR 86 67.867 -9.173 4.230 576 1HG2 THR 86 HG21 THR 86 68.395 -11.164 3.763 577 2HG2 THR 86 HG22 THR 86 68.889 -11.127 2.071 578 3HG2 THR 86 HG23 THR 86 67.429 -11.996 2.545 579 H PHE 87 HN PHE 87 67.347 -10.269 -0.541 580 HA PHE 87 HA PHE 87 65.210 -8.423 -1.432 581 1HB PHE 87 HB2 PHE 87 67.306 -8.956 -3.482 582 2HB PHE 87 HB1 PHE 87 66.338 -7.507 -3.223 583 HD1 PHE 87 HD1 PHE 87 67.098 -5.730 -1.749 584 HD2 PHE 87 HD2 PHE 87 69.330 -9.383 -2.124 585 HE1 PHE 87 HE1 PHE 87 69.009 -4.686 -0.559 586 HE2 PHE 87 HE2 PHE 87 71.239 -8.338 -0.937 587 HZ PHE 87 HZ PHE 87 71.078 -5.991 -0.155 588 H SER 88 HN SER 88 63.924 -9.380 -3.182 589 HA SER 88 HA SER 88 64.594 -11.905 -4.392 590 1HB SER 88 HB2 SER 88 63.744 -11.957 -1.685 591 2HB SER 88 HB1 SER 88 62.415 -12.599 -2.646 592 HG SER 88 HG SER 88 65.131 -13.412 -2.834 593 H ALA 89 HN ALA 89 63.424 -9.446 -5.276 594 HA ALA 89 HA ALA 89 61.642 -8.684 -6.630 595 1HB ALA 89 HB1 ALA 89 60.389 -11.214 -7.125 596 2HB ALA 89 HB2 ALA 89 62.135 -11.456 -7.055 597 3HB ALA 89 HB3 ALA 89 61.450 -10.291 -8.189 598 H ASN 90 HN ASN 90 59.332 -8.293 -6.579 599 HA ASN 90 HA ASN 90 57.934 -9.384 -4.160 600 1HB ASN 90 HB2 ASN 90 58.224 -7.237 -3.426 601 2HB ASN 90 HB1 ASN 90 58.582 -6.639 -5.044 602 1HD2 ASN 90 HD2 ASN 90 56.811 -5.795 -6.312 603 2HD2 ASN 90 HD2 ASN 90 55.259 -5.565 -5.662
Contact the webmaster for help, if required. Sunday, June 16, 2024 2:16:20 PM GMT (wattos1)