NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567920 | 2lzx | 18783 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PCA 1 H1 PCA 1 -10.009 7.366 3.091 2 HA PCA 1 HA PCA 1 -10.440 4.820 3.750 3 HB2 PCA 1 3HB PCA 1 -12.613 4.627 2.750 4 HB3 PCA 1 2HB PCA 1 -11.682 4.240 1.251 5 HG2 PCA 1 3HG PCA 1 -13.709 5.959 2.597 6 HG3 PCA 1 2HG PCA 1 -13.001 6.325 1.003 7 H GLY 2 H GLY 2 -8.817 3.533 2.991 8 HA2 GLY 2 2HA GLY 2 -7.413 2.632 1.288 9 HA3 GLY 2 3HA GLY 2 -7.571 4.138 0.398 10 H CYS 3 H CYS 3 -6.541 3.199 3.677 11 HA CYS 3 HA CYS 3 -3.959 4.514 3.211 12 HB2 CYS 3 2HB CYS 3 -5.797 5.882 4.568 13 HB3 CYS 3 3HB CYS 3 -5.240 4.863 5.889 14 H ALA 4 H ALA 4 -2.496 2.976 3.453 15 HA ALA 4 HA ALA 4 -2.836 1.008 5.621 16 HB1 ALA 4 3HB ALA 4 -1.993 -0.678 4.308 17 HB2 ALA 4 1HB ALA 4 -1.102 0.431 3.267 18 HB3 ALA 4 2HB ALA 4 -2.851 0.286 3.105 19 H PHE 5 H PHE 5 -1.003 0.417 6.825 20 HA PHE 5 HA PHE 5 1.075 2.468 6.939 21 HB2 PHE 5 2HB PHE 5 0.259 0.266 8.843 22 HB3 PHE 5 3HB PHE 5 1.673 1.279 9.106 23 HD1 PHE 5 HD1 PHE 5 1.439 3.611 9.714 24 HD2 PHE 5 HD2 PHE 5 -1.977 1.152 9.082 25 HE1 PHE 5 HE1 PHE 5 0.025 5.298 10.813 26 HE2 PHE 5 HE2 PHE 5 -3.397 2.835 10.179 27 HZ PHE 5 HZ PHE 5 -2.396 4.912 11.046 28 H GLU 6 H GLU 6 3.343 1.579 7.624 29 HA GLU 6 HA GLU 6 4.378 0.060 5.472 30 HB2 GLU 6 2HB GLU 6 5.584 1.804 6.900 31 HB3 GLU 6 3HB GLU 6 5.813 0.530 8.084 32 HG2 GLU 6 2HG GLU 6 6.965 -0.792 6.285 33 HG3 GLU 6 3HG GLU 6 6.895 0.653 5.278 34 H GLY 7 H GLY 7 4.939 -2.016 5.260 35 HA2 GLY 7 2HA GLY 7 5.322 -4.248 5.829 36 HA3 GLY 7 3HA GLY 7 4.958 -3.859 7.502 37 H GLU 8 H GLU 8 2.457 -2.553 5.924 38 HA GLU 8 HA GLU 8 0.734 -4.861 6.407 39 HB2 GLU 8 2HB GLU 8 0.363 -2.399 7.239 40 HB3 GLU 8 3HB GLU 8 -0.266 -2.143 5.618 41 HG2 GLU 8 2HG GLU 8 -1.942 -3.861 5.968 42 HG3 GLU 8 3HG GLU 8 -1.289 -4.194 7.572 43 H SER 9 H SER 9 -0.931 -5.447 4.873 44 HA SER 9 HA SER 9 0.018 -5.250 2.114 45 HB2 SER 9 2HB SER 9 -2.022 -7.109 3.360 46 HB3 SER 9 3HB SER 9 -1.485 -7.166 1.682 47 HG SER 9 HG SER 9 0.165 -7.511 3.967 48 H CYS 10 H CYS 10 -0.844 -3.777 0.842 49 HA CYS 10 HA CYS 10 -3.680 -3.059 1.199 50 HB2 CYS 10 2HB CYS 10 -3.244 -0.817 0.813 51 HB3 CYS 10 3HB CYS 10 -1.802 -1.300 1.695 52 H ASN 11 H ASN 11 -4.864 -2.529 -0.710 53 HA ASN 11 HA ASN 11 -3.926 -3.973 -3.080 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.010 -2.490 55 HB3 ASN 11 3HB ASN 11 -6.235 -4.116 -3.765 56 HD21 ASN 11 1HD2 ASN 11 -6.455 -3.729 -0.281 57 HD22 ASN 11 2HD2 ASN 11 -6.617 -5.412 0.084 58 H VAL 12 H VAL 12 -3.718 -2.985 -5.044 59 HA VAL 12 HA VAL 12 -3.752 -0.068 -4.971 60 HB VAL 12 HB VAL 12 -2.475 -0.115 -7.062 61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.159 -4.998 62 HG12 VAL 12 2HG1 VAL 12 -0.415 -1.171 -6.191 63 HG13 VAL 12 3HG1 VAL 12 -1.373 -1.915 -4.909 64 HG21 VAL 12 3HG2 VAL 12 -3.536 -2.273 -7.892 65 HG22 VAL 12 1HG2 VAL 12 -2.368 -3.117 -6.875 66 HG23 VAL 12 2HG2 VAL 12 -1.806 -2.080 -8.187 67 H GLU 13 H GLU 13 -6.178 -1.837 -5.232 68 HA GLU 13 HA GLU 13 -7.221 -0.855 -7.805 69 HB2 GLU 13 2HB GLU 13 -8.109 -3.201 -6.120 70 HB3 GLU 13 3HB GLU 13 -8.872 -2.695 -7.617 71 HG2 GLU 13 2HG GLU 13 -5.972 -3.457 -7.544 72 HG3 GLU 13 3HG GLU 13 -7.239 -4.681 -7.643 73 H PHE 14 H PHE 14 -7.737 -0.973 -4.337 74 HA PHE 14 HA PHE 14 -9.816 1.056 -4.545 75 HB2 PHE 14 2HB PHE 14 -11.224 -0.324 -2.841 76 HB3 PHE 14 3HB PHE 14 -11.294 -0.751 -4.546 77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.772 -5.376 78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.796 -1.240 79 HE1 PHE 14 HE2 PHE 14 -9.507 -5.059 -4.849 80 HE2 PHE 14 HE1 PHE 14 -9.464 -4.079 -0.702 81 HZ PHE 14 HZ PHE 14 -9.104 -5.700 -2.514 82 H TYR 15 H TYR 15 -7.919 -0.990 -2.322 83 HA TYR 15 HA TYR 15 -7.819 1.274 -0.435 84 HB2 TYR 15 2HB TYR 15 -8.951 -0.931 0.291 85 HB3 TYR 15 3HB TYR 15 -7.325 -1.590 0.347 86 HD1 TYR 15 HD2 TYR 15 -5.669 -0.648 2.000 87 HD2 TYR 15 HD1 TYR 15 -9.776 0.485 2.013 88 HE1 TYR 15 HE2 TYR 15 -5.416 0.223 4.281 89 HE2 TYR 15 HE1 TYR 15 -9.528 1.362 4.296 90 HH TYR 15 HH TYR 15 -6.509 1.852 5.762 91 HA PRO 16 HA PRO 16 -3.438 0.587 -1.977 92 HB2 PRO 16 2HB PRO 16 -2.865 3.201 -2.477 93 HB3 PRO 16 3HB PRO 16 -3.698 2.169 -3.656 94 HG2 PRO 16 2HG PRO 16 -4.846 4.180 -1.775 95 HG3 PRO 16 3HG PRO 16 -5.232 3.884 -3.482 96 HD2 PRO 16 2HD PRO 16 -6.763 2.939 -1.455 97 HD3 PRO 16 3HD PRO 16 -6.592 2.101 -3.007 98 H CYS 17 H CYS 17 -1.422 2.157 -1.253 99 HA CYS 17 HA CYS 17 -1.275 1.913 1.577 100 HB2 CYS 17 2HB CYS 17 0.580 3.178 -0.449 101 HB3 CYS 17 3HB CYS 17 0.956 3.061 1.262 102 H CYS 18 H CYS 18 -0.093 4.018 2.707 103 HA CYS 18 HA CYS 18 -2.179 6.015 2.790 104 HB2 CYS 18 2HB CYS 18 0.200 5.377 4.489 105 HB3 CYS 18 3HB CYS 18 -0.566 6.956 4.627 106 HA PRO 19 HA PRO 19 0.194 8.681 0.027 107 HB2 PRO 19 2HB PRO 19 -1.709 10.575 -0.337 108 HB3 PRO 19 3HB PRO 19 -1.783 8.989 -1.126 109 HG2 PRO 19 2HG PRO 19 -3.294 9.998 1.219 110 HG3 PRO 19 3HG PRO 19 -3.810 8.903 -0.076 111 HD2 PRO 19 2HD PRO 19 -3.032 8.106 2.462 112 HD3 PRO 19 3HD PRO 19 -3.068 7.062 1.029 113 H GLY 20 H GLY 20 1.138 10.778 0.061 114 HA2 GLY 20 2HA GLY 20 1.658 12.873 1.009 115 HA3 GLY 20 3HA GLY 20 0.736 12.434 2.437 116 H LEU 21 H LEU 21 2.059 9.841 2.739 117 HA LEU 21 HA LEU 21 4.398 10.743 4.180 118 HB2 LEU 21 2HB LEU 21 3.371 7.920 3.917 119 HB3 LEU 21 3HB LEU 21 4.445 8.540 5.146 120 HG LEU 21 HG LEU 21 1.582 9.456 4.868 121 HD11 LEU 21 1HD1 LEU 21 1.005 7.896 6.625 122 HD12 LEU 21 2HD1 LEU 21 2.661 7.292 6.667 123 HD13 LEU 21 3HD1 LEU 21 1.664 7.031 5.237 124 HD21 LEU 21 3HD2 LEU 21 1.874 10.150 7.205 125 HD22 LEU 21 1HD2 LEU 21 3.029 10.953 6.142 126 HD23 LEU 21 2HD2 LEU 21 3.551 9.607 7.156 127 H GLY 22 H GLY 22 3.824 8.087 1.839 128 HA2 GLY 22 2HA GLY 22 5.349 8.292 -0.197 129 HA3 GLY 22 3HA GLY 22 6.638 8.337 0.993 130 H LEU 23 H LEU 23 3.755 6.283 1.158 131 HA LEU 23 HA LEU 23 5.478 3.934 1.298 132 HB2 LEU 23 2HB LEU 23 2.565 4.434 1.872 133 HB3 LEU 23 3HB LEU 23 3.156 2.803 1.676 134 HG LEU 23 HG LEU 23 2.926 3.390 4.028 135 HD11 LEU 23 1HD1 LEU 23 4.765 1.859 3.223 136 HD12 LEU 23 2HD1 LEU 23 4.959 2.557 4.829 137 HD13 LEU 23 3HD1 LEU 23 5.866 3.214 3.469 138 HD21 LEU 23 3HD2 LEU 23 3.224 5.710 4.115 139 HD22 LEU 23 1HD2 LEU 23 4.821 5.619 3.371 140 HD23 LEU 23 2HD2 LEU 23 4.577 5.026 5.014 141 H THR 24 H THR 24 5.075 2.028 0.080 142 HA THR 24 HA THR 24 3.519 2.277 -2.378 143 HB THR 24 HB THR 24 5.722 3.010 -3.096 144 HG1 THR 24 HG1 THR 24 4.619 1.675 -4.562 145 HG21 THR 24 3HG2 THR 24 7.192 2.098 -1.435 146 HG22 THR 24 1HG2 THR 24 7.680 1.436 -2.996 147 HG23 THR 24 2HG2 THR 24 6.750 0.446 -1.868 148 H CYS 25 H CYS 25 2.423 0.449 -2.822 149 HA CYS 25 HA CYS 25 2.823 -1.865 -1.119 150 HB2 CYS 25 2HB CYS 25 0.635 -0.728 -2.599 151 HB3 CYS 25 3HB CYS 25 0.829 -2.421 -3.031 152 H ILE 26 H ILE 26 3.967 -3.591 -1.637 153 HA ILE 26 HA ILE 26 4.552 -4.120 -4.475 154 HB ILE 26 HB ILE 26 6.451 -4.601 -2.169 155 HG12 ILE 26 2HG1 ILE 26 6.182 -2.188 -2.541 156 HG13 ILE 26 3HG1 ILE 26 7.786 -2.717 -3.007 157 HG21 ILE 26 1HG2 ILE 26 6.677 -6.136 -4.124 158 HG22 ILE 26 2HG2 ILE 26 8.116 -5.179 -3.770 159 HG23 ILE 26 3HG2 ILE 26 7.067 -4.729 -5.115 160 HD11 ILE 26 3HD1 ILE 26 5.504 -2.042 -4.864 161 HD12 ILE 26 1HD1 ILE 26 7.078 -2.651 -5.379 162 HD13 ILE 26 2HD1 ILE 26 6.958 -1.083 -4.580 163 HA PRO 27 HA PRO 27 4.607 -5.521 -5.989 164 HB2 PRO 27 2HB PRO 27 2.778 -6.969 -7.354 165 HB3 PRO 27 3HB PRO 27 4.362 -7.615 -6.892 166 HG2 PRO 27 2HG PRO 27 1.710 -8.049 -5.608 167 HG3 PRO 27 3HG PRO 27 3.009 -9.215 -5.930 168 HD2 PRO 27 2HD PRO 27 2.599 -8.088 -3.487 169 HD3 PRO 27 3HD PRO 27 4.193 -8.613 -4.061 170 H GLY 28 H GLY 28 1.470 -5.969 -4.442 171 HA2 GLY 28 2HA GLY 28 -0.032 -4.168 -4.056 172 HA3 GLY 28 3HA GLY 28 0.611 -3.358 -5.475 173 H ASN 29 H ASN 29 0.370 -5.982 -7.006 174 HA ASN 29 HA ASN 29 -2.543 -5.824 -7.464 175 HB2 ASN 29 2HB ASN 29 -0.285 -6.355 -9.405 176 HB3 ASN 29 3HB ASN 29 -1.978 -6.620 -9.807 177 HD21 ASN 29 1HD2 ASN 29 0.479 -4.263 -9.135 178 HD22 ASN 29 2HD2 ASN 29 -0.400 -2.887 -9.699 179 HA PRO 30 HA PRO 30 -4.408 -6.855 -7.246 180 HB2 PRO 30 2HB PRO 30 -5.697 -8.183 -5.245 181 HB3 PRO 30 3HB PRO 30 -5.761 -8.695 -6.942 182 HG2 PRO 30 2HG PRO 30 -4.097 -9.762 -4.714 183 HG3 PRO 30 3HG PRO 30 -4.966 -10.635 -5.993 184 HD2 PRO 30 2HD PRO 30 -2.300 -10.192 -6.094 185 HD3 PRO 30 3HD PRO 30 -3.312 -10.281 -7.547 186 H ASP 31 H ASP 31 -2.303 -7.879 -4.640 187 HA ASP 31 HA ASP 31 -2.404 -5.247 -3.442 188 HB2 ASP 31 2HB ASP 31 -2.784 -6.171 -1.123 189 HB3 ASP 31 3HB ASP 31 -4.199 -6.186 -2.165 190 H GLY 32 H GLY 32 -0.653 -4.799 -2.058 191 HA2 GLY 32 2HA GLY 32 1.445 -6.851 -1.878 192 HA3 GLY 32 3HA GLY 32 1.824 -5.308 -2.629 193 H THR 33 H THR 33 3.480 -5.396 -0.851 194 HA THR 33 HA THR 33 2.420 -4.620 1.762 195 HB THR 33 HB THR 33 5.039 -4.672 2.234 196 HG1 THR 33 HG1 THR 33 4.711 -6.568 0.133 197 HG21 THR 33 3HG2 THR 33 3.295 -7.125 2.027 198 HG22 THR 33 1HG2 THR 33 3.369 -6.012 3.394 199 HG23 THR 33 2HG2 THR 33 4.774 -6.996 2.979 200 H CYS 34 H CYS 34 2.620 -2.673 2.617 201 HA CYS 34 HA CYS 34 3.426 -0.492 0.913 202 HB2 CYS 34 2HB CYS 34 2.234 -0.627 3.682 203 HB3 CYS 34 3HB CYS 34 2.693 0.894 2.926 204 H TYR 35 H TYR 35 5.476 -0.089 0.681 205 HA TYR 35 HA TYR 35 7.259 -0.091 3.023 206 HB2 TYR 35 2HB TYR 35 7.779 -0.650 0.111 207 HB3 TYR 35 3HB TYR 35 9.086 -0.188 1.195 208 HD1 TYR 35 HD2 TYR 35 9.406 -1.623 3.313 209 HD2 TYR 35 HD1 TYR 35 7.131 -2.892 -0.056 210 HE1 TYR 35 HE2 TYR 35 9.637 -3.950 4.044 211 HE2 TYR 35 HE1 TYR 35 7.354 -5.226 0.672 212 HH TYR 35 HH TYR 35 8.473 -6.101 3.754 213 H TYR 36 H TYR 36 8.680 1.629 3.336 214 HA TYR 36 HA TYR 36 7.700 4.175 2.393 215 HB2 TYR 36 2HB TYR 36 9.486 3.237 4.515 216 HB3 TYR 36 3HB TYR 36 10.030 4.731 3.759 217 HD1 TYR 36 HD1 TYR 36 8.273 6.639 3.569 218 HD2 TYR 36 HD2 TYR 36 7.862 3.307 6.186 219 HE1 TYR 36 HE1 TYR 36 6.681 7.916 4.935 220 HE2 TYR 36 HE2 TYR 36 6.264 4.576 7.556 221 HH TYR 36 HH TYR 36 5.694 6.922 8.024 222 H LEU 37 H LEU 37 8.451 5.387 0.803 223 HA LEU 37 HA LEU 37 10.572 4.398 -0.879 224 HB2 LEU 37 2HB LEU 37 8.751 6.790 -1.119 225 HB3 LEU 37 3HB LEU 37 9.967 6.378 -2.311 226 HG LEU 37 HG LEU 37 7.914 4.327 -1.590 227 HD11 LEU 37 1HD1 LEU 37 6.598 6.334 -1.943 228 HD12 LEU 37 2HD1 LEU 37 6.414 5.234 -3.309 229 HD13 LEU 37 3HD1 LEU 37 7.452 6.652 -3.453 230 HD21 LEU 37 3HD2 LEU 37 9.327 5.050 -4.158 231 HD22 LEU 37 1HD2 LEU 37 8.217 3.698 -3.935 232 HD23 LEU 37 2HD2 LEU 37 9.758 3.725 -3.077 Start of MODEL 2 1 H1 PCA 1 H1 PCA 1 -10.267 7.066 4.097 2 HA PCA 1 HA PCA 1 -10.439 4.705 3.858 3 HB2 PCA 1 3HB PCA 1 -12.623 4.629 2.867 4 HB3 PCA 1 2HB PCA 1 -11.713 4.344 1.334 5 HG2 PCA 1 3HG PCA 1 -13.694 5.990 2.832 6 HG3 PCA 1 2HG PCA 1 -12.994 6.466 1.262 7 H GLY 2 H GLY 2 -8.816 3.480 3.022 8 HA2 GLY 2 2HA GLY 2 -7.422 2.668 1.273 9 HA3 GLY 2 3HA GLY 2 -7.610 4.205 0.443 10 H CYS 3 H CYS 3 -6.547 3.214 3.695 11 HA CYS 3 HA CYS 3 -3.962 4.519 3.222 12 HB2 CYS 3 2HB CYS 3 -5.789 5.893 4.590 13 HB3 CYS 3 3HB CYS 3 -5.228 4.870 5.906 14 H ALA 4 H ALA 4 -2.504 2.976 3.457 15 HA ALA 4 HA ALA 4 -2.843 1.006 5.623 16 HB1 ALA 4 3HB ALA 4 -2.014 -0.680 4.303 17 HB2 ALA 4 1HB ALA 4 -1.114 0.426 3.266 18 HB3 ALA 4 2HB ALA 4 -2.866 0.292 3.102 19 H PHE 5 H PHE 5 -1.020 0.426 6.838 20 HA PHE 5 HA PHE 5 1.065 2.469 6.944 21 HB2 PHE 5 2HB PHE 5 0.249 0.265 8.846 22 HB3 PHE 5 3HB PHE 5 1.664 1.279 9.109 23 HD1 PHE 5 HD1 PHE 5 1.429 3.608 9.722 24 HD2 PHE 5 HD2 PHE 5 -1.987 1.151 9.086 25 HE1 PHE 5 HE1 PHE 5 0.016 5.294 10.825 26 HE2 PHE 5 HE2 PHE 5 -3.406 2.833 10.185 27 HZ PHE 5 HZ PHE 5 -2.406 4.908 11.056 28 H GLU 6 H GLU 6 3.334 1.582 7.622 29 HA GLU 6 HA GLU 6 4.365 0.060 5.470 30 HB2 GLU 6 2HB GLU 6 5.574 1.804 6.897 31 HB3 GLU 6 3HB GLU 6 5.805 0.529 8.079 32 HG2 GLU 6 2HG GLU 6 6.947 -0.792 6.265 33 HG3 GLU 6 3HG GLU 6 6.886 0.665 5.275 34 H GLY 7 H GLY 7 4.935 -2.016 5.262 35 HA2 GLY 7 2HA GLY 7 5.319 -4.247 5.831 36 HA3 GLY 7 3HA GLY 7 4.952 -3.858 7.504 37 H GLU 8 H GLU 8 2.450 -2.556 5.924 38 HA GLU 8 HA GLU 8 0.732 -4.869 6.404 39 HB2 GLU 8 2HB GLU 8 0.354 -2.412 7.243 40 HB3 GLU 8 3HB GLU 8 -0.271 -2.149 5.621 41 HG2 GLU 8 2HG GLU 8 -1.944 -3.873 5.961 42 HG3 GLU 8 3HG GLU 8 -1.298 -4.207 7.566 43 H SER 9 H SER 9 -0.932 -5.454 4.870 44 HA SER 9 HA SER 9 0.017 -5.253 2.112 45 HB2 SER 9 2HB SER 9 -2.023 -7.114 3.355 46 HB3 SER 9 3HB SER 9 -1.488 -7.167 1.675 47 HG SER 9 HG SER 9 0.718 -7.255 2.913 48 H CYS 10 H CYS 10 -0.843 -3.778 0.839 49 HA CYS 10 HA CYS 10 -3.679 -3.060 1.196 50 HB2 CYS 10 2HB CYS 10 -3.242 -0.818 0.811 51 HB3 CYS 10 3HB CYS 10 -1.800 -1.302 1.692 52 H ASN 11 H ASN 11 -4.864 -2.533 -0.712 53 HA ASN 11 HA ASN 11 -3.926 -3.974 -3.082 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.012 -2.491 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.116 -3.767 56 HD21 ASN 11 1HD2 ASN 11 -6.456 -3.733 -0.283 57 HD22 ASN 11 2HD2 ASN 11 -6.616 -5.416 0.081 58 H VAL 12 H VAL 12 -3.718 -2.984 -5.046 59 HA VAL 12 HA VAL 12 -3.753 -0.068 -4.972 60 HB VAL 12 HB VAL 12 -2.477 -0.114 -7.064 61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.156 -5.002 62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.172 -6.193 63 HG13 VAL 12 3HG1 VAL 12 -1.375 -1.913 -4.910 64 HG21 VAL 12 3HG2 VAL 12 -3.538 -2.273 -7.892 65 HG22 VAL 12 1HG2 VAL 12 -2.367 -3.115 -6.876 66 HG23 VAL 12 2HG2 VAL 12 -1.808 -2.078 -8.189 67 H GLU 13 H GLU 13 -6.178 -1.839 -5.233 68 HA GLU 13 HA GLU 13 -7.223 -0.856 -7.806 69 HB2 GLU 13 2HB GLU 13 -8.109 -3.203 -6.122 70 HB3 GLU 13 3HB GLU 13 -8.872 -2.697 -7.619 71 HG2 GLU 13 2HG GLU 13 -5.972 -3.457 -7.546 72 HG3 GLU 13 3HG GLU 13 -7.239 -4.681 -7.647 73 H PHE 14 H PHE 14 -7.734 -0.972 -4.337 74 HA PHE 14 HA PHE 14 -9.816 1.056 -4.544 75 HB2 PHE 14 2HB PHE 14 -11.223 -0.325 -2.841 76 HB3 PHE 14 3HB PHE 14 -11.294 -0.751 -4.546 77 HD1 PHE 14 HD1 PHE 14 -10.233 -2.771 -5.379 78 HD2 PHE 14 HD2 PHE 14 -10.203 -1.800 -1.242 79 HE1 PHE 14 HE1 PHE 14 -9.501 -5.057 -4.854 80 HE2 PHE 14 HE2 PHE 14 -9.472 -4.085 -0.705 81 HZ PHE 14 HZ PHE 14 -9.105 -5.703 -2.519 82 H TYR 15 H TYR 15 -7.917 -0.991 -2.323 83 HA TYR 15 HA TYR 15 -7.818 1.269 -0.434 84 HB2 TYR 15 2HB TYR 15 -8.951 -0.936 0.289 85 HB3 TYR 15 3HB TYR 15 -7.325 -1.595 0.346 86 HD1 TYR 15 HD1 TYR 15 -5.671 -0.653 2.000 87 HD2 TYR 15 HD2 TYR 15 -9.778 0.475 2.012 88 HE1 TYR 15 HE1 TYR 15 -5.421 0.215 4.283 89 HE2 TYR 15 HE2 TYR 15 -9.533 1.349 4.296 90 HH TYR 15 HH TYR 15 -6.516 1.840 5.766 91 HA PRO 16 HA PRO 16 -3.437 0.582 -1.976 92 HB2 PRO 16 2HB PRO 16 -2.863 3.195 -2.478 93 HB3 PRO 16 3HB PRO 16 -3.698 2.164 -3.655 94 HG2 PRO 16 2HG PRO 16 -4.843 4.175 -1.773 95 HG3 PRO 16 3HG PRO 16 -5.231 3.881 -3.480 96 HD2 PRO 16 2HD PRO 16 -6.761 2.936 -1.453 97 HD3 PRO 16 3HD PRO 16 -6.591 2.098 -3.005 98 H CYS 17 H CYS 17 -1.422 2.155 -1.254 99 HA CYS 17 HA CYS 17 -1.271 1.910 1.575 100 HB2 CYS 17 2HB CYS 17 0.581 3.173 -0.454 101 HB3 CYS 17 3HB CYS 17 0.959 3.060 1.257 102 H CYS 18 H CYS 18 -0.086 4.016 2.703 103 HA CYS 18 HA CYS 18 -2.174 6.012 2.788 104 HB2 CYS 18 2HB CYS 18 0.209 5.376 4.484 105 HB3 CYS 18 3HB CYS 18 -0.558 6.955 4.624 106 HA PRO 19 HA PRO 19 0.196 8.677 0.021 107 HB2 PRO 19 2HB PRO 19 -1.711 10.567 -0.346 108 HB3 PRO 19 3HB PRO 19 -1.782 8.980 -1.132 109 HG2 PRO 19 2HG PRO 19 -3.294 9.990 1.211 110 HG3 PRO 19 3HG PRO 19 -3.810 8.893 -0.082 111 HD2 PRO 19 2HD PRO 19 -3.030 8.101 2.457 112 HD3 PRO 19 3HD PRO 19 -3.064 7.055 1.026 113 H GLY 20 H GLY 20 1.137 10.775 0.053 114 HA2 GLY 20 2HA GLY 20 1.653 12.872 0.997 115 HA3 GLY 20 3HA GLY 20 0.732 12.433 2.426 116 H LEU 21 H LEU 21 2.058 9.843 2.731 117 HA LEU 21 HA LEU 21 4.395 10.749 4.172 118 HB2 LEU 21 2HB LEU 21 3.372 7.924 3.911 119 HB3 LEU 21 3HB LEU 21 4.447 8.547 5.139 120 HG LEU 21 HG LEU 21 1.582 9.459 4.862 121 HD11 LEU 21 1HD1 LEU 21 1.009 7.901 6.621 122 HD12 LEU 21 2HD1 LEU 21 2.667 7.300 6.664 123 HD13 LEU 21 3HD1 LEU 21 1.668 7.035 5.235 124 HD21 LEU 21 3HD2 LEU 21 1.875 10.155 7.198 125 HD22 LEU 21 1HD2 LEU 21 3.026 10.961 6.132 126 HD23 LEU 21 2HD2 LEU 21 3.553 9.618 7.147 127 H GLY 22 H GLY 22 3.829 8.084 1.839 128 HA2 GLY 22 2HA GLY 22 5.357 8.292 -0.197 129 HA3 GLY 22 3HA GLY 22 6.642 8.337 0.995 130 H LEU 23 H LEU 23 3.759 6.286 1.153 131 HA LEU 23 HA LEU 23 5.480 3.934 1.295 132 HB2 LEU 23 2HB LEU 23 2.567 4.436 1.867 133 HB3 LEU 23 3HB LEU 23 3.158 2.804 1.673 134 HG LEU 23 HG LEU 23 2.926 3.395 4.025 135 HD11 LEU 23 1HD1 LEU 23 5.866 3.215 3.465 136 HD12 LEU 23 2HD1 LEU 23 4.764 1.862 3.222 137 HD13 LEU 23 3HD1 LEU 23 4.959 2.560 4.827 138 HD21 LEU 23 3HD2 LEU 23 4.824 5.622 3.366 139 HD22 LEU 23 1HD2 LEU 23 4.578 5.031 5.009 140 HD23 LEU 23 2HD2 LEU 23 3.227 5.714 4.109 141 H THR 24 H THR 24 5.075 2.028 0.078 142 HA THR 24 HA THR 24 3.520 2.276 -2.381 143 HB THR 24 HB THR 24 5.724 3.008 -3.099 144 HG1 THR 24 HG1 THR 24 4.525 0.773 -4.031 145 HG21 THR 24 3HG2 THR 24 7.681 1.432 -2.997 146 HG22 THR 24 1HG2 THR 24 6.750 0.445 -1.867 147 HG23 THR 24 2HG2 THR 24 7.194 2.097 -1.437 148 H CYS 25 H CYS 25 2.426 0.446 -2.827 149 HA CYS 25 HA CYS 25 2.826 -1.866 -1.120 150 HB2 CYS 25 2HB CYS 25 0.637 -0.730 -2.601 151 HB3 CYS 25 3HB CYS 25 0.831 -2.424 -3.031 152 H ILE 26 H ILE 26 3.969 -3.592 -1.636 153 HA ILE 26 HA ILE 26 4.556 -4.123 -4.473 154 HB ILE 26 HB ILE 26 6.452 -4.604 -2.166 155 HG12 ILE 26 2HG1 ILE 26 6.185 -2.190 -2.541 156 HG13 ILE 26 3HG1 ILE 26 7.791 -2.722 -3.002 157 HG21 ILE 26 1HG2 ILE 26 6.677 -6.141 -4.120 158 HG22 ILE 26 2HG2 ILE 26 8.118 -5.188 -3.762 159 HG23 ILE 26 3HG2 ILE 26 7.073 -4.735 -5.110 160 HD11 ILE 26 3HD1 ILE 26 6.968 -1.089 -4.581 161 HD12 ILE 26 1HD1 ILE 26 5.514 -2.048 -4.867 162 HD13 ILE 26 2HD1 ILE 26 7.088 -2.659 -5.377 163 HA PRO 27 HA PRO 27 4.609 -5.523 -5.989 164 HB2 PRO 27 2HB PRO 27 2.780 -6.969 -7.353 165 HB3 PRO 27 3HB PRO 27 4.363 -7.618 -6.891 166 HG2 PRO 27 2HG PRO 27 1.710 -8.048 -5.608 167 HG3 PRO 27 3HG PRO 27 3.008 -9.216 -5.929 168 HD2 PRO 27 2HD PRO 27 2.598 -8.089 -3.486 169 HD3 PRO 27 3HD PRO 27 4.193 -8.615 -4.060 170 H GLY 28 H GLY 28 1.472 -5.969 -4.442 171 HA2 GLY 28 2HA GLY 28 -0.029 -4.167 -4.057 172 HA3 GLY 28 3HA GLY 28 0.615 -3.358 -5.476 173 H ASN 29 H ASN 29 0.373 -5.980 -7.008 174 HA ASN 29 HA ASN 29 -2.540 -5.822 -7.467 175 HB2 ASN 29 2HB ASN 29 -0.281 -6.352 -9.409 176 HB3 ASN 29 3HB ASN 29 -1.975 -6.615 -9.809 177 HD21 ASN 29 1HD2 ASN 29 -3.342 -4.846 -10.040 178 HD22 ASN 29 2HD2 ASN 29 -2.738 -3.243 -10.254 179 HA PRO 30 HA PRO 30 -4.406 -6.853 -7.249 180 HB2 PRO 30 2HB PRO 30 -5.693 -8.182 -5.249 181 HB3 PRO 30 3HB PRO 30 -5.758 -8.694 -6.945 182 HG2 PRO 30 2HG PRO 30 -4.093 -9.762 -4.719 183 HG3 PRO 30 3HG PRO 30 -4.961 -10.633 -5.997 184 HD2 PRO 30 2HD PRO 30 -2.296 -10.190 -6.099 185 HD3 PRO 30 3HD PRO 30 -3.309 -10.278 -7.552 186 H ASP 31 H ASP 31 -2.300 -7.877 -4.643 187 HA ASP 31 HA ASP 31 -2.401 -5.246 -3.446 188 HB2 ASP 31 2HB ASP 31 -2.783 -6.171 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.197 -6.183 -2.169 190 H GLY 32 H GLY 32 -0.651 -4.799 -2.059 191 HA2 GLY 32 2HA GLY 32 1.445 -6.852 -1.877 192 HA3 GLY 32 3HA GLY 32 1.826 -5.310 -2.628 193 H THR 33 H THR 33 3.481 -5.398 -0.850 194 HA THR 33 HA THR 33 2.420 -4.621 1.762 195 HB THR 33 HB THR 33 5.039 -4.674 2.235 196 HG1 THR 33 HG1 THR 33 5.030 -5.470 -0.215 197 HG21 THR 33 3HG2 THR 33 3.368 -6.013 3.395 198 HG22 THR 33 1HG2 THR 33 4.774 -6.996 2.982 199 HG23 THR 33 2HG2 THR 33 3.295 -7.126 2.028 200 H CYS 34 H CYS 34 2.620 -2.674 2.618 201 HA CYS 34 HA CYS 34 3.426 -0.493 0.914 202 HB2 CYS 34 2HB CYS 34 2.234 -0.628 3.682 203 HB3 CYS 34 3HB CYS 34 2.694 0.894 2.925 204 H TYR 35 H TYR 35 5.477 -0.091 0.682 205 HA TYR 35 HA TYR 35 7.260 -0.092 3.026 206 HB2 TYR 35 2HB TYR 35 7.781 -0.652 0.113 207 HB3 TYR 35 3HB TYR 35 9.087 -0.190 1.199 208 HD1 TYR 35 HD1 TYR 35 9.409 -1.626 3.315 209 HD2 TYR 35 HD2 TYR 35 7.132 -2.893 -0.054 210 HE1 TYR 35 HE1 TYR 35 9.639 -3.954 4.044 211 HE2 TYR 35 HE2 TYR 35 7.353 -5.227 0.673 212 HH TYR 35 HH TYR 35 8.863 -6.594 2.057 213 H TYR 36 H TYR 36 8.686 1.626 3.334 214 HA TYR 36 HA TYR 36 7.705 4.173 2.392 215 HB2 TYR 36 2HB TYR 36 9.493 3.235 4.513 216 HB3 TYR 36 3HB TYR 36 10.033 4.729 3.757 217 HD1 TYR 36 HD2 TYR 36 8.274 6.635 3.571 218 HD2 TYR 36 HD1 TYR 36 7.870 3.300 6.184 219 HE1 TYR 36 HE2 TYR 36 6.680 7.907 4.938 220 HE2 TYR 36 HE1 TYR 36 6.270 4.565 7.558 221 HH TYR 36 HH TYR 36 4.849 7.463 6.528 222 H LEU 37 H LEU 37 8.455 5.383 0.802 223 HA LEU 37 HA LEU 37 10.574 4.393 -0.881 224 HB2 LEU 37 2HB LEU 37 8.755 6.788 -1.120 225 HB3 LEU 37 3HB LEU 37 9.970 6.375 -2.312 226 HG LEU 37 HG LEU 37 7.915 4.327 -1.591 227 HD11 LEU 37 1HD1 LEU 37 6.605 6.338 -1.946 228 HD12 LEU 37 2HD1 LEU 37 6.415 5.234 -3.307 229 HD13 LEU 37 3HD1 LEU 37 7.456 6.650 -3.458 230 HD21 LEU 37 3HD2 LEU 37 9.757 3.721 -3.078 231 HD22 LEU 37 1HD2 LEU 37 9.333 5.048 -4.158 232 HD23 LEU 37 2HD2 LEU 37 8.218 3.700 -3.939 Start of MODEL 3 1 H1 PCA 1 H1 PCA 1 -10.336 7.131 3.855 2 HA PCA 1 HA PCA 1 -10.443 4.756 3.762 3 HB2 PCA 1 3HB PCA 1 -12.623 4.560 2.776 4 HB3 PCA 1 2HB PCA 1 -11.700 4.205 1.263 5 HG2 PCA 1 3HG PCA 1 -13.729 5.888 2.653 6 HG3 PCA 1 2HG PCA 1 -13.037 6.284 1.058 7 H GLY 2 H GLY 2 -8.788 3.524 3.005 8 HA2 GLY 2 2HA GLY 2 -7.399 2.645 1.267 9 HA3 GLY 2 3HA GLY 2 -7.570 4.166 0.404 10 H CYS 3 H CYS 3 -6.537 3.201 3.674 11 HA CYS 3 HA CYS 3 -3.953 4.516 3.216 12 HB2 CYS 3 2HB CYS 3 -5.793 5.882 4.573 13 HB3 CYS 3 3HB CYS 3 -5.236 4.862 5.893 14 H ALA 4 H ALA 4 -2.496 2.973 3.453 15 HA ALA 4 HA ALA 4 -2.837 1.004 5.619 16 HB1 ALA 4 3HB ALA 4 -2.848 0.288 3.097 17 HB2 ALA 4 1HB ALA 4 -1.998 -0.681 4.304 18 HB3 ALA 4 2HB ALA 4 -1.097 0.425 3.271 19 H PHE 5 H PHE 5 -1.010 0.418 6.831 20 HA PHE 5 HA PHE 5 1.071 2.466 6.946 21 HB2 PHE 5 2HB PHE 5 0.253 0.261 8.847 22 HB3 PHE 5 3HB PHE 5 1.666 1.277 9.112 23 HD1 PHE 5 HD1 PHE 5 -1.985 1.146 9.079 24 HD2 PHE 5 HD2 PHE 5 1.429 3.605 9.728 25 HE1 PHE 5 HE1 PHE 5 -3.408 2.827 10.176 26 HE2 PHE 5 HE2 PHE 5 0.011 5.289 10.827 27 HZ PHE 5 HZ PHE 5 -2.411 4.901 11.051 28 H GLU 6 H GLU 6 3.340 1.584 7.622 29 HA GLU 6 HA GLU 6 4.373 0.061 5.473 30 HB2 GLU 6 2HB GLU 6 5.580 1.806 6.899 31 HB3 GLU 6 3HB GLU 6 5.810 0.531 8.084 32 HG2 GLU 6 2HG GLU 6 6.955 -0.791 6.275 33 HG3 GLU 6 3HG GLU 6 6.894 0.663 5.281 34 H GLY 7 H GLY 7 4.938 -2.015 5.264 35 HA2 GLY 7 2HA GLY 7 5.321 -4.246 5.832 36 HA3 GLY 7 3HA GLY 7 4.956 -3.858 7.505 37 H GLU 8 H GLU 8 2.456 -2.553 5.925 38 HA GLU 8 HA GLU 8 0.734 -4.864 6.407 39 HB2 GLU 8 2HB GLU 8 0.360 -2.403 7.242 40 HB3 GLU 8 3HB GLU 8 -0.268 -2.145 5.621 41 HG2 GLU 8 2HG GLU 8 -1.942 -3.866 5.968 42 HG3 GLU 8 3HG GLU 8 -1.290 -4.199 7.573 43 H SER 9 H SER 9 -0.931 -5.450 4.874 44 HA SER 9 HA SER 9 0.018 -5.250 2.115 45 HB2 SER 9 2HB SER 9 -2.022 -7.111 3.362 46 HB3 SER 9 3HB SER 9 -1.487 -7.166 1.681 47 HG SER 9 HG SER 9 0.132 -7.552 3.983 48 H CYS 10 H CYS 10 -0.845 -3.781 0.839 49 HA CYS 10 HA CYS 10 -3.680 -3.061 1.197 50 HB2 CYS 10 2HB CYS 10 -3.244 -0.820 0.812 51 HB3 CYS 10 3HB CYS 10 -1.803 -1.303 1.694 52 H ASN 11 H ASN 11 -4.865 -2.532 -0.711 53 HA ASN 11 HA ASN 11 -3.926 -3.974 -3.081 54 HB2 ASN 11 2HB ASN 11 -6.725 -3.012 -2.491 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.117 -3.767 56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.733 -0.283 57 HD22 ASN 11 2HD2 ASN 11 -6.618 -5.416 0.081 58 H VAL 12 H VAL 12 -3.720 -2.984 -5.045 59 HA VAL 12 HA VAL 12 -3.754 -0.068 -4.969 60 HB VAL 12 HB VAL 12 -2.478 -0.112 -7.061 61 HG11 VAL 12 1HG1 VAL 12 -1.237 -0.158 -4.993 62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.164 -6.191 63 HG13 VAL 12 3HG1 VAL 12 -1.372 -1.916 -4.912 64 HG21 VAL 12 3HG2 VAL 12 -2.372 -3.114 -6.874 65 HG22 VAL 12 1HG2 VAL 12 -1.804 -2.078 -8.184 66 HG23 VAL 12 2HG2 VAL 12 -3.536 -2.269 -7.894 67 H GLU 13 H GLU 13 -6.179 -1.839 -5.233 68 HA GLU 13 HA GLU 13 -7.222 -0.855 -7.806 69 HB2 GLU 13 2HB GLU 13 -8.108 -3.203 -6.123 70 HB3 GLU 13 3HB GLU 13 -8.874 -2.695 -7.618 71 HG2 GLU 13 2HG GLU 13 -5.973 -3.455 -7.549 72 HG3 GLU 13 3HG GLU 13 -7.238 -4.680 -7.649 73 H PHE 14 H PHE 14 -7.737 -0.973 -4.338 74 HA PHE 14 HA PHE 14 -9.817 1.054 -4.543 75 HB2 PHE 14 2HB PHE 14 -11.225 -0.329 -2.842 76 HB3 PHE 14 3HB PHE 14 -11.295 -0.754 -4.547 77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.773 -5.380 78 HD2 PHE 14 HD1 PHE 14 -10.204 -1.804 -1.242 79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.061 -4.856 80 HE2 PHE 14 HE1 PHE 14 -9.466 -4.088 -0.708 81 HZ PHE 14 HZ PHE 14 -9.106 -5.705 -2.521 82 H TYR 15 H TYR 15 -7.919 -0.994 -2.324 83 HA TYR 15 HA TYR 15 -7.822 1.266 -0.432 84 HB2 TYR 15 2HB TYR 15 -8.952 -0.941 0.290 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.598 0.345 86 HD1 TYR 15 HD2 TYR 15 -5.669 -0.650 1.997 87 HD2 TYR 15 HD1 TYR 15 -9.781 0.464 2.016 88 HE1 TYR 15 HE2 TYR 15 -5.418 0.218 4.280 89 HE2 TYR 15 HE1 TYR 15 -9.535 1.337 4.301 90 HH TYR 15 HH TYR 15 -8.063 1.026 6.244 91 HA PRO 16 HA PRO 16 -3.440 0.584 -1.973 92 HB2 PRO 16 2HB PRO 16 -2.869 3.199 -2.472 93 HB3 PRO 16 3HB PRO 16 -3.702 2.168 -3.652 94 HG2 PRO 16 2HG PRO 16 -4.850 4.176 -1.766 95 HG3 PRO 16 3HG PRO 16 -5.237 3.884 -3.474 96 HD2 PRO 16 2HD PRO 16 -6.766 2.934 -1.448 97 HD3 PRO 16 3HD PRO 16 -6.595 2.099 -3.001 98 H CYS 17 H CYS 17 -1.425 2.155 -1.250 99 HA CYS 17 HA CYS 17 -1.277 1.910 1.580 100 HB2 CYS 17 2HB CYS 17 0.578 3.177 -0.445 101 HB3 CYS 17 3HB CYS 17 0.955 3.057 1.266 102 H CYS 18 H CYS 18 -0.089 4.019 2.705 103 HA CYS 18 HA CYS 18 -2.177 6.015 2.790 104 HB2 CYS 18 2HB CYS 18 0.205 5.379 4.489 105 HB3 CYS 18 3HB CYS 18 -0.564 6.957 4.627 106 HA PRO 19 HA PRO 19 0.195 8.678 0.024 107 HB2 PRO 19 2HB PRO 19 -1.708 10.570 -0.344 108 HB3 PRO 19 3HB PRO 19 -1.781 8.983 -1.129 109 HG2 PRO 19 2HG PRO 19 -3.293 9.996 1.212 110 HG3 PRO 19 3HG PRO 19 -3.809 8.898 -0.081 111 HD2 PRO 19 2HD PRO 19 -3.031 8.106 2.459 112 HD3 PRO 19 3HD PRO 19 -3.066 7.060 1.028 113 H GLY 20 H GLY 20 1.136 10.778 0.056 114 HA2 GLY 20 2HA GLY 20 1.654 12.875 1.001 115 HA3 GLY 20 3HA GLY 20 0.732 12.436 2.430 116 H LEU 21 H LEU 21 2.059 9.844 2.733 117 HA LEU 21 HA LEU 21 4.396 10.750 4.175 118 HB2 LEU 21 2HB LEU 21 3.371 7.926 3.913 119 HB3 LEU 21 3HB LEU 21 4.445 8.547 5.141 120 HG LEU 21 HG LEU 21 1.581 9.461 4.864 121 HD11 LEU 21 1HD1 LEU 21 1.006 7.902 6.622 122 HD12 LEU 21 2HD1 LEU 21 2.663 7.300 6.664 123 HD13 LEU 21 3HD1 LEU 21 1.665 7.036 5.236 124 HD21 LEU 21 3HD2 LEU 21 3.553 9.617 7.150 125 HD22 LEU 21 1HD2 LEU 21 1.874 10.155 7.201 126 HD23 LEU 21 2HD2 LEU 21 3.026 10.961 6.136 127 H GLY 22 H GLY 22 3.828 8.084 1.841 128 HA2 GLY 22 2HA GLY 22 5.355 8.293 -0.195 129 HA3 GLY 22 3HA GLY 22 6.642 8.336 0.998 130 H LEU 23 H LEU 23 3.757 6.285 1.155 131 HA LEU 23 HA LEU 23 5.478 3.935 1.297 132 HB2 LEU 23 2HB LEU 23 2.565 4.436 1.869 133 HB3 LEU 23 3HB LEU 23 3.157 2.805 1.675 134 HG LEU 23 HG LEU 23 2.925 3.395 4.028 135 HD11 LEU 23 1HD1 LEU 23 5.864 3.213 3.466 136 HD12 LEU 23 2HD1 LEU 23 4.760 1.861 3.225 137 HD13 LEU 23 3HD1 LEU 23 4.959 2.562 4.830 138 HD21 LEU 23 3HD2 LEU 23 3.227 5.716 4.110 139 HD22 LEU 23 1HD2 LEU 23 4.825 5.620 3.369 140 HD23 LEU 23 2HD2 LEU 23 4.576 5.030 5.012 141 H THR 24 H THR 24 5.072 2.028 0.080 142 HA THR 24 HA THR 24 3.517 2.277 -2.379 143 HB THR 24 HB THR 24 5.719 3.010 -3.097 144 HG1 THR 24 HG1 THR 24 4.678 1.725 -4.603 145 HG21 THR 24 3HG2 THR 24 7.677 1.435 -2.996 146 HG22 THR 24 1HG2 THR 24 6.748 0.446 -1.868 147 HG23 THR 24 2HG2 THR 24 7.190 2.098 -1.436 148 H CYS 25 H CYS 25 2.422 0.448 -2.824 149 HA CYS 25 HA CYS 25 2.824 -1.866 -1.120 150 HB2 CYS 25 2HB CYS 25 0.634 -0.730 -2.600 151 HB3 CYS 25 3HB CYS 25 0.829 -2.423 -3.031 152 H ILE 26 H ILE 26 3.967 -3.592 -1.636 153 HA ILE 26 HA ILE 26 4.552 -4.120 -4.473 154 HB ILE 26 HB ILE 26 6.450 -4.602 -2.166 155 HG12 ILE 26 2HG1 ILE 26 6.182 -2.189 -2.541 156 HG13 ILE 26 3HG1 ILE 26 7.787 -2.721 -3.003 157 HG21 ILE 26 1HG2 ILE 26 8.117 -5.180 -3.768 158 HG22 ILE 26 2HG2 ILE 26 7.065 -4.734 -5.112 159 HG23 ILE 26 3HG2 ILE 26 6.677 -6.140 -4.119 160 HD11 ILE 26 3HD1 ILE 26 5.511 -2.046 -4.866 161 HD12 ILE 26 1HD1 ILE 26 7.086 -2.656 -5.377 162 HD13 ILE 26 2HD1 ILE 26 6.963 -1.088 -4.579 163 HA PRO 27 HA PRO 27 4.607 -5.521 -5.989 164 HB2 PRO 27 2HB PRO 27 2.778 -6.967 -7.354 165 HB3 PRO 27 3HB PRO 27 4.361 -7.616 -6.891 166 HG2 PRO 27 2HG PRO 27 1.707 -8.047 -5.609 167 HG3 PRO 27 3HG PRO 27 3.006 -9.215 -5.930 168 HD2 PRO 27 2HD PRO 27 2.597 -8.088 -3.488 169 HD3 PRO 27 3HD PRO 27 4.191 -8.614 -4.061 170 H GLY 28 H GLY 28 1.470 -5.967 -4.441 171 HA2 GLY 28 2HA GLY 28 -0.032 -4.167 -4.055 172 HA3 GLY 28 3HA GLY 28 0.612 -3.355 -5.474 173 H ASN 29 H ASN 29 0.370 -5.978 -7.008 174 HA ASN 29 HA ASN 29 -2.542 -5.820 -7.467 175 HB2 ASN 29 2HB ASN 29 -0.283 -6.349 -9.408 176 HB3 ASN 29 3HB ASN 29 -1.976 -6.612 -9.810 177 HD21 ASN 29 1HD2 ASN 29 -3.345 -4.846 -10.041 178 HD22 ASN 29 2HD2 ASN 29 -2.741 -3.241 -10.252 179 HA PRO 30 HA PRO 30 -4.407 -6.852 -7.250 180 HB2 PRO 30 2HB PRO 30 -5.696 -8.182 -5.251 181 HB3 PRO 30 3HB PRO 30 -5.759 -8.692 -6.948 182 HG2 PRO 30 2HG PRO 30 -4.095 -9.761 -4.720 183 HG3 PRO 30 3HG PRO 30 -4.964 -10.632 -6.000 184 HD2 PRO 30 2HD PRO 30 -2.298 -10.189 -6.101 185 HD3 PRO 30 3HD PRO 30 -3.310 -10.276 -7.555 186 H ASP 31 H ASP 31 -2.303 -7.877 -4.644 187 HA ASP 31 HA ASP 31 -2.403 -5.247 -3.445 188 HB2 ASP 31 2HB ASP 31 -2.786 -6.172 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.200 -6.184 -2.169 190 H GLY 32 H GLY 32 -0.654 -4.800 -2.058 191 HA2 GLY 32 2HA GLY 32 1.442 -6.854 -1.877 192 HA3 GLY 32 3HA GLY 32 1.823 -5.312 -2.628 193 H THR 33 H THR 33 3.478 -5.397 -0.850 194 HA THR 33 HA THR 33 2.418 -4.621 1.763 195 HB THR 33 HB THR 33 5.039 -4.674 2.232 196 HG1 THR 33 HG1 THR 33 5.207 -5.338 -0.154 197 HG21 THR 33 3HG2 THR 33 4.773 -6.995 2.983 198 HG22 THR 33 1HG2 THR 33 3.293 -7.126 2.031 199 HG23 THR 33 2HG2 THR 33 3.369 -6.011 3.396 200 H CYS 34 H CYS 34 2.617 -2.674 2.616 201 HA CYS 34 HA CYS 34 3.425 -0.494 0.914 202 HB2 CYS 34 2HB CYS 34 2.232 -0.627 3.683 203 HB3 CYS 34 3HB CYS 34 2.691 0.894 2.924 204 H TYR 35 H TYR 35 5.474 -0.091 0.682 205 HA TYR 35 HA TYR 35 7.257 -0.093 3.026 206 HB2 TYR 35 2HB TYR 35 7.778 -0.650 0.112 207 HB3 TYR 35 3HB TYR 35 9.084 -0.190 1.199 208 HD1 TYR 35 HD2 TYR 35 9.403 -1.628 3.316 209 HD2 TYR 35 HD1 TYR 35 7.128 -2.891 -0.057 210 HE1 TYR 35 HE2 TYR 35 9.631 -3.956 4.043 211 HE2 TYR 35 HE1 TYR 35 7.349 -5.227 0.670 212 HH TYR 35 HH TYR 35 8.464 -6.105 3.750 213 H TYR 36 H TYR 36 8.686 1.625 3.333 214 HA TYR 36 HA TYR 36 7.703 4.171 2.391 215 HB2 TYR 36 2HB TYR 36 9.493 3.233 4.512 216 HB3 TYR 36 3HB TYR 36 10.033 4.729 3.756 217 HD1 TYR 36 HD1 TYR 36 8.273 6.634 3.572 218 HD2 TYR 36 HD2 TYR 36 7.871 3.298 6.184 219 HE1 TYR 36 HE1 TYR 36 6.680 7.905 4.941 220 HE2 TYR 36 HE2 TYR 36 6.272 4.562 7.558 221 HH TYR 36 HH TYR 36 4.852 7.462 6.531 222 H LEU 37 H LEU 37 8.454 5.382 0.800 223 HA LEU 37 HA LEU 37 10.571 4.391 -0.883 224 HB2 LEU 37 2HB LEU 37 8.755 6.786 -1.121 225 HB3 LEU 37 3HB LEU 37 9.969 6.373 -2.314 226 HG LEU 37 HG LEU 37 7.913 4.325 -1.594 227 HD11 LEU 37 1HD1 LEU 37 6.603 6.337 -1.945 228 HD12 LEU 37 2HD1 LEU 37 6.414 5.235 -3.309 229 HD13 LEU 37 3HD1 LEU 37 7.454 6.650 -3.457 230 HD21 LEU 37 3HD2 LEU 37 9.754 3.719 -3.081 231 HD22 LEU 37 1HD2 LEU 37 9.329 5.048 -4.160 232 HD23 LEU 37 2HD2 LEU 37 8.214 3.700 -3.941 Start of MODEL 4 1 H1 PCA 1 H1 PCA 1 -9.967 7.377 3.143 2 HA PCA 1 HA PCA 1 -10.438 4.831 3.773 3 HB2 PCA 1 3HB PCA 1 -12.613 4.682 2.769 4 HB3 PCA 1 2HB PCA 1 -11.685 4.299 1.266 5 HG2 PCA 1 3HG PCA 1 -13.689 6.033 2.631 6 HG3 PCA 1 2HG PCA 1 -12.973 6.406 1.041 7 H GLY 2 H GLY 2 -8.839 3.524 2.996 8 HA2 GLY 2 2HA GLY 2 -7.433 2.620 1.305 9 HA3 GLY 2 3HA GLY 2 -7.588 4.122 0.408 10 H CYS 3 H CYS 3 -6.551 3.196 3.688 11 HA CYS 3 HA CYS 3 -3.969 4.507 3.207 12 HB2 CYS 3 2HB CYS 3 -5.800 5.871 4.575 13 HB3 CYS 3 3HB CYS 3 -5.236 4.851 5.893 14 H ALA 4 H ALA 4 -2.495 2.980 3.449 15 HA ALA 4 HA ALA 4 -2.814 1.017 5.625 16 HB1 ALA 4 3HB ALA 4 -2.010 -0.682 4.308 17 HB2 ALA 4 1HB ALA 4 -1.110 0.411 3.257 18 HB3 ALA 4 2HB ALA 4 -2.862 0.286 3.105 19 H PHE 5 H PHE 5 -0.994 0.486 6.850 20 HA PHE 5 HA PHE 5 1.107 2.513 6.873 21 HB2 PHE 5 2HB PHE 5 0.249 0.399 8.851 22 HB3 PHE 5 3HB PHE 5 1.718 1.344 9.067 23 HD1 PHE 5 HD1 PHE 5 -1.937 1.415 9.081 24 HD2 PHE 5 HD2 PHE 5 1.617 3.695 9.617 25 HE1 PHE 5 HE1 PHE 5 -3.250 3.205 10.143 26 HE2 PHE 5 HE2 PHE 5 0.310 5.489 10.679 27 HZ PHE 5 HZ PHE 5 -2.127 5.245 10.944 28 H GLU 6 H GLU 6 3.370 1.598 7.600 29 HA GLU 6 HA GLU 6 4.389 0.046 5.466 30 HB2 GLU 6 2HB GLU 6 5.608 1.786 6.900 31 HB3 GLU 6 3HB GLU 6 5.832 0.500 8.073 32 HG2 GLU 6 2HG GLU 6 6.966 -0.818 6.264 33 HG3 GLU 6 3HG GLU 6 6.896 0.630 5.261 34 H GLY 7 H GLY 7 4.947 -2.035 5.275 35 HA2 GLY 7 2HA GLY 7 5.307 -4.265 5.863 36 HA3 GLY 7 3HA GLY 7 4.931 -3.861 7.530 37 H GLU 8 H GLU 8 2.447 -2.550 5.936 38 HA GLU 8 HA GLU 8 0.713 -4.851 6.412 39 HB2 GLU 8 2HB GLU 8 0.349 -2.383 7.236 40 HB3 GLU 8 3HB GLU 8 -0.275 -2.132 5.613 41 HG2 GLU 8 2HG GLU 8 -1.952 -3.852 5.969 42 HG3 GLU 8 3HG GLU 8 -1.307 -4.167 7.579 43 H SER 9 H SER 9 -0.938 -5.445 4.874 44 HA SER 9 HA SER 9 0.019 -5.244 2.118 45 HB2 SER 9 2HB SER 9 -2.016 -7.112 3.359 46 HB3 SER 9 3HB SER 9 -1.479 -7.165 1.680 47 HG SER 9 HG SER 9 0.698 -7.426 2.612 48 H CYS 10 H CYS 10 -0.845 -3.774 0.843 49 HA CYS 10 HA CYS 10 -3.682 -3.061 1.197 50 HB2 CYS 10 2HB CYS 10 -3.248 -0.818 0.812 51 HB3 CYS 10 3HB CYS 10 -1.807 -1.301 1.694 52 H ASN 11 H ASN 11 -4.865 -2.528 -0.714 53 HA ASN 11 HA ASN 11 -3.923 -3.971 -3.083 54 HB2 ASN 11 2HB ASN 11 -6.722 -3.015 -2.490 55 HB3 ASN 11 3HB ASN 11 -6.234 -4.113 -3.771 56 HD21 ASN 11 1HD2 ASN 11 -6.444 -3.745 -0.284 57 HD22 ASN 11 2HD2 ASN 11 -6.606 -5.429 0.072 58 H VAL 12 H VAL 12 -3.717 -2.979 -5.046 59 HA VAL 12 HA VAL 12 -3.757 -0.063 -4.971 60 HB VAL 12 HB VAL 12 -2.482 -0.106 -7.064 61 HG11 VAL 12 1HG1 VAL 12 -1.379 -1.902 -4.910 62 HG12 VAL 12 2HG1 VAL 12 -1.230 -0.147 -5.010 63 HG13 VAL 12 3HG1 VAL 12 -0.420 -1.170 -6.198 64 HG21 VAL 12 3HG2 VAL 12 -2.372 -3.107 -6.882 65 HG22 VAL 12 1HG2 VAL 12 -1.812 -2.067 -8.193 66 HG23 VAL 12 2HG2 VAL 12 -3.543 -2.263 -7.896 67 H GLU 13 H GLU 13 -6.179 -1.840 -5.231 68 HA GLU 13 HA GLU 13 -7.228 -0.859 -7.802 69 HB2 GLU 13 2HB GLU 13 -8.108 -3.206 -6.113 70 HB3 GLU 13 3HB GLU 13 -8.878 -2.702 -7.608 71 HG2 GLU 13 2HG GLU 13 -5.976 -3.460 -7.542 72 HG3 GLU 13 3HG GLU 13 -7.241 -4.685 -7.637 73 H PHE 14 H PHE 14 -7.732 -0.970 -4.332 74 HA PHE 14 HA PHE 14 -9.814 1.056 -4.535 75 HB2 PHE 14 2HB PHE 14 -11.221 -0.323 -2.831 76 HB3 PHE 14 3HB PHE 14 -11.292 -0.751 -4.535 77 HD1 PHE 14 HD2 PHE 14 -10.232 -2.771 -5.367 78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.797 -1.230 79 HE1 PHE 14 HE2 PHE 14 -9.502 -5.058 -4.841 80 HE2 PHE 14 HE1 PHE 14 -9.463 -4.080 -0.693 81 HZ PHE 14 HZ PHE 14 -9.102 -5.700 -2.505 82 H TYR 15 H TYR 15 -7.918 -0.993 -2.313 83 HA TYR 15 HA TYR 15 -7.813 1.273 -0.429 84 HB2 TYR 15 2HB TYR 15 -8.948 -0.932 0.297 85 HB3 TYR 15 3HB TYR 15 -7.321 -1.589 0.361 86 HD1 TYR 15 HD2 TYR 15 -5.673 -0.644 2.019 87 HD2 TYR 15 HD1 TYR 15 -9.779 0.495 2.008 88 HE1 TYR 15 HE2 TYR 15 -5.430 0.238 4.297 89 HE2 TYR 15 HE1 TYR 15 -9.540 1.381 4.288 90 HH TYR 15 HH TYR 15 -6.529 1.875 5.767 91 HA PRO 16 HA PRO 16 -3.435 0.577 -1.972 92 HB2 PRO 16 2HB PRO 16 -2.857 3.190 -2.474 93 HB3 PRO 16 3HB PRO 16 -3.691 2.158 -3.652 94 HG2 PRO 16 2HG PRO 16 -4.836 4.173 -1.774 95 HG3 PRO 16 3HG PRO 16 -5.225 3.875 -3.480 96 HD2 PRO 16 2HD PRO 16 -6.754 2.936 -1.449 97 HD3 PRO 16 3HD PRO 16 -6.587 2.095 -3.000 98 H CYS 17 H CYS 17 -1.417 2.147 -1.251 99 HA CYS 17 HA CYS 17 -1.268 1.905 1.579 100 HB2 CYS 17 2HB CYS 17 0.586 3.160 -0.452 101 HB3 CYS 17 3HB CYS 17 0.964 3.054 1.260 102 H CYS 18 H CYS 18 -0.089 4.006 2.711 103 HA CYS 18 HA CYS 18 -2.175 6.004 2.789 104 HB2 CYS 18 2HB CYS 18 0.202 5.370 4.494 105 HB3 CYS 18 3HB CYS 18 -0.567 6.949 4.628 106 HA PRO 19 HA PRO 19 0.201 8.665 0.024 107 HB2 PRO 19 2HB PRO 19 -1.705 10.553 -0.351 108 HB3 PRO 19 3HB PRO 19 -1.773 8.966 -1.135 109 HG2 PRO 19 2HG PRO 19 -3.294 9.979 1.201 110 HG3 PRO 19 3HG PRO 19 -3.803 8.878 -0.092 111 HD2 PRO 19 2HD PRO 19 -3.031 8.091 2.451 112 HD3 PRO 19 3HD PRO 19 -3.060 7.043 1.021 113 H GLY 20 H GLY 20 1.133 10.770 0.053 114 HA2 GLY 20 2HA GLY 20 1.646 12.868 0.997 115 HA3 GLY 20 3HA GLY 20 0.723 12.429 2.425 116 H LEU 21 H LEU 21 2.055 9.839 2.730 117 HA LEU 21 HA LEU 21 4.389 10.749 4.172 118 HB2 LEU 21 2HB LEU 21 3.369 7.925 3.918 119 HB3 LEU 21 3HB LEU 21 4.438 8.552 5.147 120 HG LEU 21 HG LEU 21 1.574 9.463 4.859 121 HD11 LEU 21 1HD1 LEU 21 1.662 7.037 5.235 122 HD12 LEU 21 2HD1 LEU 21 0.991 7.907 6.613 123 HD13 LEU 21 3HD1 LEU 21 2.649 7.307 6.671 124 HD21 LEU 21 3HD2 LEU 21 1.860 10.162 7.196 125 HD22 LEU 21 1HD2 LEU 21 3.016 10.964 6.133 126 HD23 LEU 21 2HD2 LEU 21 3.538 9.622 7.151 127 H GLY 22 H GLY 22 3.825 8.080 1.843 128 HA2 GLY 22 2HA GLY 22 5.354 8.290 -0.193 129 HA3 GLY 22 3HA GLY 22 6.639 8.331 1.002 130 H LEU 23 H LEU 23 3.755 6.282 1.167 131 HA LEU 23 HA LEU 23 5.477 3.930 1.301 132 HB2 LEU 23 2HB LEU 23 2.564 4.429 1.881 133 HB3 LEU 23 3HB LEU 23 3.160 2.798 1.689 134 HG LEU 23 HG LEU 23 2.932 3.393 4.040 135 HD11 LEU 23 1HD1 LEU 23 4.973 2.570 4.841 136 HD12 LEU 23 2HD1 LEU 23 5.869 3.214 3.468 137 HD13 LEU 23 3HD1 LEU 23 4.767 1.858 3.241 138 HD21 LEU 23 3HD2 LEU 23 4.824 5.621 3.375 139 HD22 LEU 23 1HD2 LEU 23 4.581 5.032 5.020 140 HD23 LEU 23 2HD2 LEU 23 3.229 5.713 4.118 141 H THR 24 H THR 24 5.077 2.030 0.083 142 HA THR 24 HA THR 24 3.512 2.278 -2.372 143 HB THR 24 HB THR 24 5.716 3.008 -3.091 144 HG1 THR 24 HG1 THR 24 6.125 0.764 -4.345 145 HG21 THR 24 3HG2 THR 24 6.741 0.440 -1.869 146 HG22 THR 24 1HG2 THR 24 7.185 2.090 -1.429 147 HG23 THR 24 2HG2 THR 24 7.673 1.433 -2.991 148 H CYS 25 H CYS 25 2.423 0.446 -2.824 149 HA CYS 25 HA CYS 25 2.821 -1.865 -1.116 150 HB2 CYS 25 2HB CYS 25 0.633 -0.730 -2.597 151 HB3 CYS 25 3HB CYS 25 0.828 -2.424 -3.027 152 H ILE 26 H ILE 26 3.966 -3.591 -1.632 153 HA ILE 26 HA ILE 26 4.553 -4.116 -4.471 154 HB ILE 26 HB ILE 26 6.449 -4.608 -2.163 155 HG12 ILE 26 2HG1 ILE 26 6.187 -2.193 -2.526 156 HG13 ILE 26 3HG1 ILE 26 7.790 -2.726 -2.992 157 HG21 ILE 26 1HG2 ILE 26 6.701 -6.148 -4.087 158 HG22 ILE 26 2HG2 ILE 26 8.123 -5.148 -3.793 159 HG23 ILE 26 3HG2 ILE 26 7.028 -4.754 -5.118 160 HD11 ILE 26 3HD1 ILE 26 5.512 -2.042 -4.852 161 HD12 ILE 26 1HD1 ILE 26 7.089 -2.643 -5.364 162 HD13 ILE 26 2HD1 ILE 26 6.960 -1.080 -4.557 163 HA PRO 27 HA PRO 27 4.608 -5.510 -5.988 164 HB2 PRO 27 2HB PRO 27 2.785 -6.954 -7.361 165 HB3 PRO 27 3HB PRO 27 4.366 -7.604 -6.894 166 HG2 PRO 27 2HG PRO 27 1.707 -8.038 -5.623 167 HG3 PRO 27 3HG PRO 27 3.007 -9.205 -5.942 168 HD2 PRO 27 2HD PRO 27 2.588 -8.082 -3.499 169 HD3 PRO 27 3HD PRO 27 4.183 -8.609 -4.067 170 H GLY 28 H GLY 28 1.472 -5.960 -4.441 171 HA2 GLY 28 2HA GLY 28 -0.035 -4.163 -4.056 172 HA3 GLY 28 3HA GLY 28 0.611 -3.348 -5.471 173 H ASN 29 H ASN 29 0.373 -5.973 -7.006 174 HA ASN 29 HA ASN 29 -2.538 -5.814 -7.472 175 HB2 ASN 29 2HB ASN 29 -0.275 -6.340 -9.408 176 HB3 ASN 29 3HB ASN 29 -1.967 -6.605 -9.814 177 HD21 ASN 29 1HD2 ASN 29 0.490 -4.249 -9.138 178 HD22 ASN 29 2HD2 ASN 29 -0.390 -2.872 -9.699 179 HA PRO 30 HA PRO 30 -4.404 -6.845 -7.256 180 HB2 PRO 30 2HB PRO 30 -5.694 -8.177 -5.258 181 HB3 PRO 30 3HB PRO 30 -5.756 -8.687 -6.955 182 HG2 PRO 30 2HG PRO 30 -4.091 -9.755 -4.729 183 HG3 PRO 30 3HG PRO 30 -4.960 -10.627 -6.007 184 HD2 PRO 30 2HD PRO 30 -2.295 -10.185 -6.111 185 HD3 PRO 30 3HD PRO 30 -3.309 -10.269 -7.564 186 H ASP 31 H ASP 31 -2.304 -7.875 -4.648 187 HA ASP 31 HA ASP 31 -2.405 -5.244 -3.448 188 HB2 ASP 31 2HB ASP 31 -2.784 -6.175 -1.129 189 HB3 ASP 31 3HB ASP 31 -4.200 -6.184 -2.171 190 H GLY 32 H GLY 32 -0.656 -4.800 -2.057 191 HA2 GLY 32 2HA GLY 32 1.441 -6.852 -1.880 192 HA3 GLY 32 3HA GLY 32 1.821 -5.308 -2.629 193 H THR 33 H THR 33 3.476 -5.401 -0.849 194 HA THR 33 HA THR 33 2.417 -4.627 1.764 195 HB THR 33 HB THR 33 5.037 -4.682 2.235 196 HG1 THR 33 HG1 THR 33 5.045 -5.455 -0.211 197 HG21 THR 33 3HG2 THR 33 3.302 -7.141 2.024 198 HG22 THR 33 1HG2 THR 33 3.356 -6.024 3.388 199 HG23 THR 33 2HG2 THR 33 4.773 -6.998 2.987 200 H CYS 34 H CYS 34 2.619 -2.682 2.624 201 HA CYS 34 HA CYS 34 3.424 -0.499 0.924 202 HB2 CYS 34 2HB CYS 34 2.239 -0.638 3.695 203 HB3 CYS 34 3HB CYS 34 2.700 0.885 2.941 204 H TYR 35 H TYR 35 5.470 -0.091 0.687 205 HA TYR 35 HA TYR 35 7.261 -0.098 3.025 206 HB2 TYR 35 2HB TYR 35 7.772 -0.658 0.111 207 HB3 TYR 35 3HB TYR 35 9.082 -0.196 1.191 208 HD1 TYR 35 HD2 TYR 35 9.406 -1.632 3.311 209 HD2 TYR 35 HD1 TYR 35 7.125 -2.901 -0.055 210 HE1 TYR 35 HE2 TYR 35 9.636 -3.958 4.041 211 HE2 TYR 35 HE1 TYR 35 7.349 -5.235 0.673 212 HH TYR 35 HH TYR 35 8.465 -6.110 3.751 213 H TYR 36 H TYR 36 8.684 1.622 3.334 214 HA TYR 36 HA TYR 36 7.703 4.168 2.393 215 HB2 TYR 36 2HB TYR 36 9.497 3.230 4.509 216 HB3 TYR 36 3HB TYR 36 10.032 4.726 3.752 217 HD1 TYR 36 HD1 TYR 36 8.269 6.628 3.573 218 HD2 TYR 36 HD2 TYR 36 7.881 3.292 6.187 219 HE1 TYR 36 HE1 TYR 36 6.676 7.897 4.947 220 HE2 TYR 36 HE2 TYR 36 6.283 4.553 7.565 221 HH TYR 36 HH TYR 36 4.857 7.454 6.541 222 H LEU 37 H LEU 37 8.454 5.388 0.809 223 HA LEU 37 HA LEU 37 10.570 4.397 -0.881 224 HB2 LEU 37 2HB LEU 37 8.747 6.789 -1.117 225 HB3 LEU 37 3HB LEU 37 9.961 6.376 -2.310 226 HG LEU 37 HG LEU 37 7.909 4.326 -1.585 227 HD11 LEU 37 1HD1 LEU 37 6.594 6.335 -1.937 228 HD12 LEU 37 2HD1 LEU 37 6.405 5.233 -3.300 229 HD13 LEU 37 3HD1 LEU 37 7.444 6.649 -3.450 230 HD21 LEU 37 3HD2 LEU 37 8.208 3.695 -3.929 231 HD22 LEU 37 1HD2 LEU 37 9.752 3.726 -3.077 232 HD23 LEU 37 2HD2 LEU 37 9.315 5.049 -4.157 Start of MODEL 5 1 H1 PCA 1 H1 PCA 1 -9.960 7.364 3.235 2 HA PCA 1 HA PCA 1 -10.435 4.803 3.799 3 HB2 PCA 1 3HB PCA 1 -12.611 4.684 2.793 4 HB3 PCA 1 2HB PCA 1 -11.686 4.338 1.281 5 HG2 PCA 1 3HG PCA 1 -13.684 6.040 2.689 6 HG3 PCA 1 2HG PCA 1 -12.968 6.453 1.109 7 H GLY 2 H GLY 2 -8.831 3.520 2.996 8 HA2 GLY 2 2HA GLY 2 -7.424 2.655 1.285 9 HA3 GLY 2 3HA GLY 2 -7.587 4.174 0.416 10 H CYS 3 H CYS 3 -6.548 3.213 3.686 11 HA CYS 3 HA CYS 3 -3.963 4.518 3.217 12 HB2 CYS 3 2HB CYS 3 -5.793 5.890 4.579 13 HB3 CYS 3 3HB CYS 3 -5.236 4.869 5.898 14 H ALA 4 H ALA 4 -2.502 2.976 3.457 15 HA ALA 4 HA ALA 4 -2.845 1.009 5.624 16 HB1 ALA 4 3HB ALA 4 -1.119 0.425 3.266 17 HB2 ALA 4 1HB ALA 4 -2.871 0.284 3.110 18 HB3 ALA 4 2HB ALA 4 -2.010 -0.680 4.311 19 H PHE 5 H PHE 5 -1.021 0.425 6.837 20 HA PHE 5 HA PHE 5 1.064 2.468 6.947 21 HB2 PHE 5 2HB PHE 5 0.252 0.258 8.846 22 HB3 PHE 5 3HB PHE 5 1.663 1.275 9.110 23 HD1 PHE 5 HD2 PHE 5 1.423 3.603 9.728 24 HD2 PHE 5 HD1 PHE 5 -1.987 1.138 9.088 25 HE1 PHE 5 HE2 PHE 5 0.006 5.284 10.832 26 HE2 PHE 5 HE1 PHE 5 -3.410 2.814 10.190 27 HZ PHE 5 HZ PHE 5 -2.414 4.890 11.065 28 H GLU 6 H GLU 6 3.332 1.578 7.623 29 HA GLU 6 HA GLU 6 4.363 0.061 5.468 30 HB2 GLU 6 2HB GLU 6 5.572 1.805 6.894 31 HB3 GLU 6 3HB GLU 6 5.806 0.529 8.076 32 HG2 GLU 6 2HG GLU 6 6.948 -0.789 6.263 33 HG3 GLU 6 3HG GLU 6 6.881 0.665 5.269 34 H GLY 7 H GLY 7 4.932 -2.015 5.256 35 HA2 GLY 7 2HA GLY 7 5.318 -4.246 5.826 36 HA3 GLY 7 3HA GLY 7 4.953 -3.858 7.499 37 H GLU 8 H GLU 8 2.450 -2.556 5.920 38 HA GLU 8 HA GLU 8 0.731 -4.867 6.403 39 HB2 GLU 8 2HB GLU 8 0.353 -2.407 7.233 40 HB3 GLU 8 3HB GLU 8 -0.270 -2.149 5.610 41 HG2 GLU 8 2HG GLU 8 -1.945 -3.872 5.955 42 HG3 GLU 8 3HG GLU 8 -1.299 -4.200 7.561 43 H SER 9 H SER 9 -0.936 -5.454 4.869 44 HA SER 9 HA SER 9 0.016 -5.261 2.110 45 HB2 SER 9 2HB SER 9 -0.407 -7.509 3.142 46 HB3 SER 9 3HB SER 9 -2.117 -7.092 3.234 47 HG SER 9 HG SER 9 -2.305 -7.523 1.188 48 H CYS 10 H CYS 10 -0.843 -3.780 0.843 49 HA CYS 10 HA CYS 10 -3.678 -3.061 1.198 50 HB2 CYS 10 2HB CYS 10 -3.238 -0.820 0.815 51 HB3 CYS 10 3HB CYS 10 -1.796 -1.305 1.694 52 H ASN 11 H ASN 11 -4.863 -2.533 -0.708 53 HA ASN 11 HA ASN 11 -3.926 -3.975 -3.080 54 HB2 ASN 11 2HB ASN 11 -6.725 -3.011 -2.488 55 HB3 ASN 11 3HB ASN 11 -6.237 -4.116 -3.764 56 HD21 ASN 11 1HD2 ASN 11 -6.458 -3.731 -0.280 57 HD22 ASN 11 2HD2 ASN 11 -6.619 -5.414 0.084 58 H VAL 12 H VAL 12 -3.719 -2.985 -5.043 59 HA VAL 12 HA VAL 12 -3.753 -0.069 -4.969 60 HB VAL 12 HB VAL 12 -2.477 -0.116 -7.061 61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.158 -4.998 62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.173 -6.190 63 HG13 VAL 12 3HG1 VAL 12 -1.375 -1.914 -4.907 64 HG21 VAL 12 3HG2 VAL 12 -3.538 -2.274 -7.889 65 HG22 VAL 12 1HG2 VAL 12 -2.368 -3.117 -6.874 66 HG23 VAL 12 2HG2 VAL 12 -1.807 -2.080 -8.187 67 H GLU 13 H GLU 13 -6.179 -1.838 -5.230 68 HA GLU 13 HA GLU 13 -7.222 -0.856 -7.803 69 HB2 GLU 13 2HB GLU 13 -8.110 -3.203 -6.120 70 HB3 GLU 13 3HB GLU 13 -8.873 -2.696 -7.617 71 HG2 GLU 13 2HG GLU 13 -5.973 -3.458 -7.543 72 HG3 GLU 13 3HG GLU 13 -7.239 -4.681 -7.643 73 H PHE 14 H PHE 14 -7.737 -0.972 -4.335 74 HA PHE 14 HA PHE 14 -9.817 1.056 -4.543 75 HB2 PHE 14 2HB PHE 14 -11.225 -0.325 -2.840 76 HB3 PHE 14 3HB PHE 14 -11.295 -0.751 -4.544 77 HD1 PHE 14 HD1 PHE 14 -10.235 -2.772 -5.377 78 HD2 PHE 14 HD2 PHE 14 -10.205 -1.799 -1.240 79 HE1 PHE 14 HE1 PHE 14 -9.502 -5.058 -4.851 80 HE2 PHE 14 HE2 PHE 14 -9.474 -4.084 -0.702 81 HZ PHE 14 HZ PHE 14 -9.106 -5.703 -2.515 82 H TYR 15 H TYR 15 -7.920 -0.991 -2.322 83 HA TYR 15 HA TYR 15 -7.820 1.271 -0.432 84 HB2 TYR 15 2HB TYR 15 -8.953 -0.934 0.290 85 HB3 TYR 15 3HB TYR 15 -7.328 -1.593 0.349 86 HD1 TYR 15 HD1 TYR 15 -5.673 -0.650 2.002 87 HD2 TYR 15 HD2 TYR 15 -9.782 0.477 2.013 88 HE1 TYR 15 HE1 TYR 15 -5.423 0.219 4.284 89 HE2 TYR 15 HE2 TYR 15 -9.536 1.353 4.297 90 HH TYR 15 HH TYR 15 -6.520 1.845 5.766 91 HA PRO 16 HA PRO 16 -3.439 0.583 -1.974 92 HB2 PRO 16 2HB PRO 16 -2.865 3.196 -2.475 93 HB3 PRO 16 3HB PRO 16 -3.699 2.165 -3.654 94 HG2 PRO 16 2HG PRO 16 -4.845 4.176 -1.772 95 HG3 PRO 16 3HG PRO 16 -5.233 3.881 -3.479 96 HD2 PRO 16 2HD PRO 16 -6.763 2.937 -1.451 97 HD3 PRO 16 3HD PRO 16 -6.593 2.098 -3.003 98 H CYS 17 H CYS 17 -1.424 2.156 -1.252 99 HA CYS 17 HA CYS 17 -1.273 1.911 1.577 100 HB2 CYS 17 2HB CYS 17 0.579 3.176 -0.451 101 HB3 CYS 17 3HB CYS 17 0.958 3.061 1.259 102 H CYS 18 H CYS 18 -0.088 4.017 2.704 103 HA CYS 18 HA CYS 18 -2.175 6.013 2.789 104 HB2 CYS 18 2HB CYS 18 0.205 5.374 4.487 105 HB3 CYS 18 3HB CYS 18 -0.562 6.953 4.627 106 HA PRO 19 HA PRO 19 0.198 8.678 0.026 107 HB2 PRO 19 2HB PRO 19 -1.706 10.573 -0.338 108 HB3 PRO 19 3HB PRO 19 -1.779 8.986 -1.126 109 HG2 PRO 19 2HG PRO 19 -3.291 9.996 1.218 110 HG3 PRO 19 3HG PRO 19 -3.806 8.900 -0.078 111 HD2 PRO 19 2HD PRO 19 -3.029 8.104 2.461 112 HD3 PRO 19 3HD PRO 19 -3.064 7.060 1.028 113 H GLY 20 H GLY 20 1.139 10.778 0.059 114 HA2 GLY 20 2HA GLY 20 1.658 12.874 1.007 115 HA3 GLY 20 3HA GLY 20 0.736 12.434 2.436 116 H LEU 21 H LEU 21 2.062 9.841 2.735 117 HA LEU 21 HA LEU 21 4.400 10.744 4.177 118 HB2 LEU 21 2HB LEU 21 3.374 7.921 3.914 119 HB3 LEU 21 3HB LEU 21 4.448 8.541 5.142 120 HG LEU 21 HG LEU 21 1.585 9.457 4.865 121 HD11 LEU 21 1HD1 LEU 21 1.666 7.033 5.236 122 HD12 LEU 21 2HD1 LEU 21 1.010 7.899 6.623 123 HD13 LEU 21 3HD1 LEU 21 2.666 7.294 6.664 124 HD21 LEU 21 3HD2 LEU 21 1.878 10.151 7.203 125 HD22 LEU 21 1HD2 LEU 21 3.032 10.955 6.138 126 HD23 LEU 21 2HD2 LEU 21 3.557 9.610 7.151 127 H GLY 22 H GLY 22 3.826 8.090 1.835 128 HA2 GLY 22 2HA GLY 22 5.350 8.294 -0.201 129 HA3 GLY 22 3HA GLY 22 6.639 8.340 0.988 130 H LEU 23 H LEU 23 3.757 6.286 1.153 131 HA LEU 23 HA LEU 23 5.479 3.937 1.295 132 HB2 LEU 23 2HB LEU 23 2.566 4.437 1.866 133 HB3 LEU 23 3HB LEU 23 3.157 2.805 1.670 134 HG LEU 23 HG LEU 23 2.926 3.393 4.022 135 HD11 LEU 23 1HD1 LEU 23 5.866 3.216 3.465 136 HD12 LEU 23 2HD1 LEU 23 4.765 1.862 3.215 137 HD13 LEU 23 3HD1 LEU 23 4.956 2.557 4.824 138 HD21 LEU 23 3HD2 LEU 23 4.578 5.029 5.008 139 HD22 LEU 23 1HD2 LEU 23 3.224 5.712 4.109 140 HD23 LEU 23 2HD2 LEU 23 4.820 5.621 3.365 141 H THR 24 H THR 24 5.075 2.028 0.077 142 HA THR 24 HA THR 24 3.522 2.277 -2.383 143 HB THR 24 HB THR 24 5.724 3.009 -3.100 144 HG1 THR 24 HG1 THR 24 4.479 0.862 -4.073 145 HG21 THR 24 3HG2 THR 24 7.682 1.435 -2.997 146 HG22 THR 24 1HG2 THR 24 6.752 0.446 -1.868 147 HG23 THR 24 2HG2 THR 24 7.195 2.099 -1.437 148 H CYS 25 H CYS 25 2.426 0.447 -2.826 149 HA CYS 25 HA CYS 25 2.827 -1.866 -1.121 150 HB2 CYS 25 2HB CYS 25 0.637 -0.730 -2.600 151 HB3 CYS 25 3HB CYS 25 0.833 -2.423 -3.032 152 H ILE 26 H ILE 26 3.970 -3.592 -1.637 153 HA ILE 26 HA ILE 26 4.556 -4.123 -4.475 154 HB ILE 26 HB ILE 26 6.453 -4.601 -2.167 155 HG12 ILE 26 2HG1 ILE 26 6.185 -2.189 -2.544 156 HG13 ILE 26 3HG1 ILE 26 7.791 -2.721 -3.005 157 HG21 ILE 26 1HG2 ILE 26 6.674 -6.139 -4.125 158 HG22 ILE 26 2HG2 ILE 26 8.117 -5.191 -3.759 159 HG23 ILE 26 3HG2 ILE 26 7.078 -4.732 -5.110 160 HD11 ILE 26 3HD1 ILE 26 6.969 -1.091 -4.585 161 HD12 ILE 26 1HD1 ILE 26 5.515 -2.048 -4.870 162 HD13 ILE 26 2HD1 ILE 26 7.087 -2.661 -5.380 163 HA PRO 27 HA PRO 27 4.609 -5.524 -5.988 164 HB2 PRO 27 2HB PRO 27 2.779 -6.971 -7.351 165 HB3 PRO 27 3HB PRO 27 4.362 -7.619 -6.890 166 HG2 PRO 27 2HG PRO 27 1.710 -8.050 -5.605 167 HG3 PRO 27 3HG PRO 27 3.009 -9.217 -5.927 168 HD2 PRO 27 2HD PRO 27 2.600 -8.090 -3.484 169 HD3 PRO 27 3HD PRO 27 4.194 -8.615 -4.060 170 H GLY 28 H GLY 28 1.472 -5.971 -4.440 171 HA2 GLY 28 2HA GLY 28 -0.030 -4.169 -4.055 172 HA3 GLY 28 3HA GLY 28 0.614 -3.358 -5.474 173 H ASN 29 H ASN 29 0.372 -5.981 -7.005 174 HA ASN 29 HA ASN 29 -2.541 -5.823 -7.463 175 HB2 ASN 29 2HB ASN 29 -0.282 -6.353 -9.405 176 HB3 ASN 29 3HB ASN 29 -1.976 -6.617 -9.807 177 HD21 ASN 29 1HD2 ASN 29 0.482 -4.261 -9.132 178 HD22 ASN 29 2HD2 ASN 29 -0.396 -2.884 -9.696 179 HA PRO 30 HA PRO 30 -4.406 -6.855 -7.245 180 HB2 PRO 30 2HB PRO 30 -5.694 -8.183 -5.244 181 HB3 PRO 30 3HB PRO 30 -5.758 -8.695 -6.941 182 HG2 PRO 30 2HG PRO 30 -4.092 -9.762 -4.714 183 HG3 PRO 30 3HG PRO 30 -4.962 -10.635 -5.993 184 HD2 PRO 30 2HD PRO 30 -2.296 -10.191 -6.096 185 HD3 PRO 30 3HD PRO 30 -3.309 -10.280 -7.548 186 H ASP 31 H ASP 31 -2.301 -7.878 -4.639 187 HA ASP 31 HA ASP 31 -2.400 -5.247 -3.442 188 HB2 ASP 31 2HB ASP 31 -2.782 -6.170 -1.122 189 HB3 ASP 31 3HB ASP 31 -4.198 -6.183 -2.164 190 H GLY 32 H GLY 32 -0.650 -4.799 -2.058 191 HA2 GLY 32 2HA GLY 32 1.446 -6.853 -1.875 192 HA3 GLY 32 3HA GLY 32 1.827 -5.311 -2.627 193 H THR 33 H THR 33 3.482 -5.397 -0.850 194 HA THR 33 HA THR 33 2.423 -4.619 1.762 195 HB THR 33 HB THR 33 5.042 -4.670 2.235 196 HG1 THR 33 HG1 THR 33 5.743 -6.645 0.959 197 HG21 THR 33 3HG2 THR 33 4.778 -6.993 2.981 198 HG22 THR 33 1HG2 THR 33 3.300 -7.124 2.028 199 HG23 THR 33 2HG2 THR 33 3.371 -6.011 3.395 200 H CYS 34 H CYS 34 2.622 -2.672 2.616 201 HA CYS 34 HA CYS 34 3.428 -0.492 0.911 202 HB2 CYS 34 2HB CYS 34 2.236 -0.626 3.681 203 HB3 CYS 34 3HB CYS 34 2.694 0.896 2.923 204 H TYR 35 H TYR 35 5.478 -0.089 0.680 205 HA TYR 35 HA TYR 35 7.260 -0.089 3.022 206 HB2 TYR 35 2HB TYR 35 7.782 -0.649 0.111 207 HB3 TYR 35 3HB TYR 35 9.088 -0.186 1.195 208 HD1 TYR 35 HD1 TYR 35 9.410 -1.621 3.313 209 HD2 TYR 35 HD2 TYR 35 7.134 -2.892 -0.055 210 HE1 TYR 35 HE1 TYR 35 9.643 -3.947 4.044 211 HE2 TYR 35 HE2 TYR 35 7.356 -5.225 0.675 212 HH TYR 35 HH TYR 35 8.867 -6.590 2.059 213 H TYR 36 H TYR 36 8.680 1.631 3.336 214 HA TYR 36 HA TYR 36 7.701 4.176 2.391 215 HB2 TYR 36 2HB TYR 36 9.484 3.240 4.515 216 HB3 TYR 36 3HB TYR 36 10.030 4.732 3.759 217 HD1 TYR 36 HD2 TYR 36 8.276 6.642 3.566 218 HD2 TYR 36 HD1 TYR 36 7.856 3.311 6.183 219 HE1 TYR 36 HE2 TYR 36 6.683 7.921 4.930 220 HE2 TYR 36 HE1 TYR 36 6.258 4.582 7.550 221 HH TYR 36 HH TYR 36 5.691 6.928 8.018 222 H LEU 37 H LEU 37 8.452 5.388 0.801 223 HA LEU 37 HA LEU 37 10.575 4.399 -0.879 224 HB2 LEU 37 2HB LEU 37 8.754 6.791 -1.121 225 HB3 LEU 37 3HB LEU 37 9.972 6.378 -2.311 226 HG LEU 37 HG LEU 37 7.917 4.328 -1.593 227 HD11 LEU 37 1HD1 LEU 37 6.605 6.339 -1.951 228 HD12 LEU 37 2HD1 LEU 37 6.419 5.233 -3.312 229 HD13 LEU 37 3HD1 LEU 37 7.459 6.650 -3.462 230 HD21 LEU 37 3HD2 LEU 37 9.339 5.051 -4.158 231 HD22 LEU 37 1HD2 LEU 37 8.225 3.701 -3.940 232 HD23 LEU 37 2HD2 LEU 37 9.762 3.723 -3.076 Start of MODEL 6 1 H1 PCA 1 H1 PCA 1 -10.265 7.125 3.995 2 HA PCA 1 HA PCA 1 -10.438 4.760 3.807 3 HB2 PCA 1 3HB PCA 1 -12.617 4.662 2.807 4 HB3 PCA 1 2HB PCA 1 -11.699 4.347 1.284 5 HG2 PCA 1 3HG PCA 1 -13.687 6.024 2.740 6 HG3 PCA 1 2HG PCA 1 -12.981 6.466 1.164 7 H GLY 2 H GLY 2 -8.818 3.513 3.003 8 HA2 GLY 2 2HA GLY 2 -7.420 2.663 1.274 9 HA3 GLY 2 3HA GLY 2 -7.591 4.189 0.421 10 H CYS 3 H CYS 3 -6.550 3.220 3.686 11 HA CYS 3 HA CYS 3 -3.962 4.522 3.218 12 HB2 CYS 3 2HB CYS 3 -5.792 5.895 4.581 13 HB3 CYS 3 3HB CYS 3 -5.236 4.872 5.899 14 H ALA 4 H ALA 4 -2.504 2.978 3.457 15 HA ALA 4 HA ALA 4 -2.849 1.010 5.625 16 HB1 ALA 4 3HB ALA 4 -1.123 0.426 3.266 17 HB2 ALA 4 1HB ALA 4 -2.875 0.286 3.111 18 HB3 ALA 4 2HB ALA 4 -2.014 -0.678 4.310 19 H PHE 5 H PHE 5 -1.024 0.424 6.837 20 HA PHE 5 HA PHE 5 1.061 2.466 6.949 21 HB2 PHE 5 2HB PHE 5 0.249 0.254 8.845 22 HB3 PHE 5 3HB PHE 5 1.661 1.271 9.111 23 HD1 PHE 5 HD2 PHE 5 -1.989 1.133 9.088 24 HD2 PHE 5 HD1 PHE 5 1.419 3.599 9.730 25 HE1 PHE 5 HE2 PHE 5 -3.413 2.807 10.193 26 HE2 PHE 5 HE1 PHE 5 0.002 5.277 10.836 27 HZ PHE 5 HZ PHE 5 -2.419 4.883 11.069 28 H GLU 6 H GLU 6 3.330 1.575 7.625 29 HA GLU 6 HA GLU 6 4.359 0.061 5.467 30 HB2 GLU 6 2HB GLU 6 5.568 1.805 6.893 31 HB3 GLU 6 3HB GLU 6 5.802 0.530 8.075 32 HG2 GLU 6 2HG GLU 6 6.944 -0.788 6.259 33 HG3 GLU 6 3HG GLU 6 6.881 0.669 5.270 34 H GLY 7 H GLY 7 4.930 -2.014 5.253 35 HA2 GLY 7 2HA GLY 7 5.318 -4.246 5.819 36 HA3 GLY 7 3HA GLY 7 4.955 -3.859 7.494 37 H GLU 8 H GLU 8 2.449 -2.558 5.917 38 HA GLU 8 HA GLU 8 0.732 -4.870 6.401 39 HB2 GLU 8 2HB GLU 8 0.353 -2.411 7.233 40 HB3 GLU 8 3HB GLU 8 -0.271 -2.153 5.610 41 HG2 GLU 8 2HG GLU 8 -1.946 -3.874 5.954 42 HG3 GLU 8 3HG GLU 8 -1.298 -4.206 7.560 43 H SER 9 H SER 9 -0.937 -5.456 4.868 44 HA SER 9 HA SER 9 0.013 -5.267 2.110 45 HB2 SER 9 2HB SER 9 -0.413 -7.514 3.142 46 HB3 SER 9 3HB SER 9 -2.123 -7.094 3.237 47 HG SER 9 HG SER 9 -2.311 -7.302 1.119 48 H CYS 10 H CYS 10 -0.842 -3.782 0.844 49 HA CYS 10 HA CYS 10 -3.678 -3.060 1.198 50 HB2 CYS 10 2HB CYS 10 -3.236 -0.820 0.818 51 HB3 CYS 10 3HB CYS 10 -1.793 -1.307 1.695 52 H ASN 11 H ASN 11 -4.864 -2.536 -0.708 53 HA ASN 11 HA ASN 11 -3.926 -3.976 -3.079 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.012 -2.488 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.119 -3.763 56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.731 -0.280 57 HD22 ASN 11 2HD2 ASN 11 -6.618 -5.415 0.087 58 H VAL 12 H VAL 12 -3.719 -2.986 -5.043 59 HA VAL 12 HA VAL 12 -3.755 -0.070 -4.969 60 HB VAL 12 HB VAL 12 -2.477 -0.116 -7.060 61 HG11 VAL 12 1HG1 VAL 12 -1.377 -1.908 -4.901 62 HG12 VAL 12 2HG1 VAL 12 -1.230 -0.153 -5.001 63 HG13 VAL 12 3HG1 VAL 12 -0.416 -1.177 -6.187 64 HG21 VAL 12 3HG2 VAL 12 -2.358 -3.116 -6.872 65 HG22 VAL 12 1HG2 VAL 12 -1.810 -2.076 -8.188 66 HG23 VAL 12 2HG2 VAL 12 -3.538 -2.281 -7.883 67 H GLU 13 H GLU 13 -6.179 -1.838 -5.229 68 HA GLU 13 HA GLU 13 -7.222 -0.855 -7.803 69 HB2 GLU 13 2HB GLU 13 -8.111 -3.203 -6.122 70 HB3 GLU 13 3HB GLU 13 -8.872 -2.697 -7.619 71 HG2 GLU 13 2HG GLU 13 -5.971 -3.456 -7.542 72 HG3 GLU 13 3HG GLU 13 -7.236 -4.681 -7.643 73 H PHE 14 H PHE 14 -7.737 -0.973 -4.335 74 HA PHE 14 HA PHE 14 -9.818 1.054 -4.542 75 HB2 PHE 14 2HB PHE 14 -11.226 -0.329 -2.839 76 HB3 PHE 14 3HB PHE 14 -11.296 -0.755 -4.543 77 HD1 PHE 14 HD2 PHE 14 -10.236 -2.774 -5.376 78 HD2 PHE 14 HD1 PHE 14 -10.203 -1.803 -1.239 79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.061 -4.850 80 HE2 PHE 14 HE1 PHE 14 -9.464 -4.086 -0.703 81 HZ PHE 14 HZ PHE 14 -9.104 -5.705 -2.516 82 H TYR 15 H TYR 15 -7.921 -0.994 -2.320 83 HA TYR 15 HA TYR 15 -7.822 1.268 -0.430 84 HB2 TYR 15 2HB TYR 15 -8.953 -0.938 0.292 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.596 0.348 86 HD1 TYR 15 HD2 TYR 15 -5.672 -0.651 2.001 87 HD2 TYR 15 HD1 TYR 15 -9.781 0.471 2.015 88 HE1 TYR 15 HE2 TYR 15 -5.421 0.218 4.284 89 HE2 TYR 15 HE1 TYR 15 -9.536 1.345 4.300 90 HH TYR 15 HH TYR 15 -8.065 1.032 6.245 91 HA PRO 16 HA PRO 16 -3.440 0.584 -1.976 92 HB2 PRO 16 2HB PRO 16 -2.868 3.198 -2.474 93 HB3 PRO 16 3HB PRO 16 -3.701 2.167 -3.654 94 HG2 PRO 16 2HG PRO 16 -4.849 4.176 -1.771 95 HG3 PRO 16 3HG PRO 16 -5.236 3.881 -3.479 96 HD2 PRO 16 2HD PRO 16 -6.766 2.934 -1.453 97 HD3 PRO 16 3HD PRO 16 -6.594 2.096 -3.004 98 H CYS 17 H CYS 17 -1.426 2.159 -1.254 99 HA CYS 17 HA CYS 17 -1.274 1.912 1.576 100 HB2 CYS 17 2HB CYS 17 0.577 3.178 -0.452 101 HB3 CYS 17 3HB CYS 17 0.956 3.062 1.258 102 H CYS 18 H CYS 18 -0.088 4.017 2.703 103 HA CYS 18 HA CYS 18 -2.176 6.014 2.789 104 HB2 CYS 18 2HB CYS 18 0.205 5.374 4.487 105 HB3 CYS 18 3HB CYS 18 -0.561 6.954 4.627 106 HA PRO 19 HA PRO 19 0.199 8.680 0.027 107 HB2 PRO 19 2HB PRO 19 -1.702 10.575 -0.336 108 HB3 PRO 19 3HB PRO 19 -1.777 8.989 -1.126 109 HG2 PRO 19 2HG PRO 19 -3.288 9.998 1.219 110 HG3 PRO 19 3HG PRO 19 -3.805 8.903 -0.077 111 HD2 PRO 19 2HD PRO 19 -3.027 8.106 2.462 112 HD3 PRO 19 3HD PRO 19 -3.063 7.062 1.028 113 H GLY 20 H GLY 20 1.138 10.782 0.059 114 HA2 GLY 20 2HA GLY 20 1.660 12.875 1.009 115 HA3 GLY 20 3HA GLY 20 0.739 12.435 2.437 116 H LEU 21 H LEU 21 2.064 9.841 2.736 117 HA LEU 21 HA LEU 21 4.402 10.742 4.177 118 HB2 LEU 21 2HB LEU 21 3.374 7.920 3.913 119 HB3 LEU 21 3HB LEU 21 4.449 8.539 5.141 120 HG LEU 21 HG LEU 21 1.587 9.456 4.866 121 HD11 LEU 21 1HD1 LEU 21 2.667 7.291 6.662 122 HD12 LEU 21 2HD1 LEU 21 1.667 7.031 5.234 123 HD13 LEU 21 3HD1 LEU 21 1.011 7.896 6.622 124 HD21 LEU 21 3HD2 LEU 21 3.559 9.607 7.152 125 HD22 LEU 21 1HD2 LEU 21 1.881 10.147 7.204 126 HD23 LEU 21 2HD2 LEU 21 3.033 10.953 6.140 127 H GLY 22 H GLY 22 3.825 8.090 1.833 128 HA2 GLY 22 2HA GLY 22 5.349 8.294 -0.203 129 HA3 GLY 22 3HA GLY 22 6.639 8.340 0.986 130 H LEU 23 H LEU 23 3.757 6.286 1.151 131 HA LEU 23 HA LEU 23 5.479 3.936 1.293 132 HB2 LEU 23 2HB LEU 23 2.566 4.438 1.864 133 HB3 LEU 23 3HB LEU 23 3.156 2.806 1.667 134 HG LEU 23 HG LEU 23 2.926 3.393 4.021 135 HD11 LEU 23 1HD1 LEU 23 5.866 3.217 3.465 136 HD12 LEU 23 2HD1 LEU 23 4.767 1.862 3.209 137 HD13 LEU 23 3HD1 LEU 23 4.956 2.553 4.820 138 HD21 LEU 23 3HD2 LEU 23 4.580 5.027 5.006 139 HD22 LEU 23 1HD2 LEU 23 3.226 5.712 4.108 140 HD23 LEU 23 2HD2 LEU 23 4.820 5.620 3.363 141 H THR 24 H THR 24 5.079 2.030 0.076 142 HA THR 24 HA THR 24 3.525 2.277 -2.385 143 HB THR 24 HB THR 24 5.730 3.008 -3.100 144 HG1 THR 24 HG1 THR 24 4.419 1.090 -4.192 145 HG21 THR 24 3HG2 THR 24 7.199 2.101 -1.437 146 HG22 THR 24 1HG2 THR 24 7.687 1.433 -2.996 147 HG23 THR 24 2HG2 THR 24 6.756 0.448 -1.864 148 H CYS 25 H CYS 25 2.428 0.447 -2.825 149 HA CYS 25 HA CYS 25 2.829 -1.864 -1.120 150 HB2 CYS 25 2HB CYS 25 0.640 -0.729 -2.598 151 HB3 CYS 25 3HB CYS 25 0.834 -2.422 -3.031 152 H ILE 26 H ILE 26 3.971 -3.592 -1.635 153 HA ILE 26 HA ILE 26 4.557 -4.123 -4.473 154 HB ILE 26 HB ILE 26 6.454 -4.605 -2.165 155 HG12 ILE 26 2HG1 ILE 26 6.188 -2.191 -2.540 156 HG13 ILE 26 3HG1 ILE 26 7.793 -2.723 -3.003 157 HG21 ILE 26 1HG2 ILE 26 7.072 -4.737 -5.110 158 HG22 ILE 26 2HG2 ILE 26 6.677 -6.141 -4.121 159 HG23 ILE 26 3HG2 ILE 26 8.120 -5.188 -3.763 160 HD11 ILE 26 3HD1 ILE 26 5.513 -2.046 -4.863 161 HD12 ILE 26 1HD1 ILE 26 7.086 -2.660 -5.377 162 HD13 ILE 26 2HD1 ILE 26 6.968 -1.091 -4.579 163 HA PRO 27 HA PRO 27 4.610 -5.523 -5.987 164 HB2 PRO 27 2HB PRO 27 2.780 -6.970 -7.352 165 HB3 PRO 27 3HB PRO 27 4.362 -7.617 -6.889 166 HG2 PRO 27 2HG PRO 27 1.709 -8.049 -5.607 167 HG3 PRO 27 3HG PRO 27 3.008 -9.216 -5.928 168 HD2 PRO 27 2HD PRO 27 2.597 -8.088 -3.485 169 HD3 PRO 27 3HD PRO 27 4.191 -8.615 -4.059 170 H GLY 28 H GLY 28 1.472 -5.970 -4.440 171 HA2 GLY 28 2HA GLY 28 -0.029 -4.168 -4.054 172 HA3 GLY 28 3HA GLY 28 0.615 -3.358 -5.474 173 H ASN 29 H ASN 29 0.374 -5.977 -7.007 174 HA ASN 29 HA ASN 29 -2.540 -5.823 -7.464 175 HB2 ASN 29 2HB ASN 29 -0.282 -6.353 -9.407 176 HB3 ASN 29 3HB ASN 29 -1.976 -6.614 -9.807 177 HD21 ASN 29 1HD2 ASN 29 0.486 -4.263 -9.134 178 HD22 ASN 29 2HD2 ASN 29 -0.389 -2.884 -9.696 179 HA PRO 30 HA PRO 30 -4.404 -6.855 -7.246 180 HB2 PRO 30 2HB PRO 30 -5.691 -8.186 -5.245 181 HB3 PRO 30 3HB PRO 30 -5.754 -8.698 -6.942 182 HG2 PRO 30 2HG PRO 30 -4.087 -9.763 -4.715 183 HG3 PRO 30 3HG PRO 30 -4.956 -10.637 -5.993 184 HD2 PRO 30 2HD PRO 30 -2.292 -10.191 -6.096 185 HD3 PRO 30 3HD PRO 30 -3.304 -10.280 -7.549 186 H ASP 31 H ASP 31 -2.298 -7.878 -4.641 187 HA ASP 31 HA ASP 31 -2.399 -5.246 -3.442 188 HB2 ASP 31 2HB ASP 31 -2.784 -6.170 -1.123 189 HB3 ASP 31 3HB ASP 31 -4.198 -6.184 -2.167 190 H GLY 32 H GLY 32 -0.650 -4.799 -2.056 191 HA2 GLY 32 2HA GLY 32 1.446 -6.854 -1.872 192 HA3 GLY 32 3HA GLY 32 1.828 -5.313 -2.625 193 H THR 33 H THR 33 3.482 -5.396 -0.849 194 HA THR 33 HA THR 33 2.424 -4.617 1.765 195 HB THR 33 HB THR 33 5.043 -4.668 2.235 196 HG1 THR 33 HG1 THR 33 5.698 -6.680 0.947 197 HG21 THR 33 3HG2 THR 33 4.779 -6.989 2.986 198 HG22 THR 33 1HG2 THR 33 3.300 -7.123 2.032 199 HG23 THR 33 2HG2 THR 33 3.372 -6.008 3.397 200 H CYS 34 H CYS 34 2.622 -2.670 2.616 201 HA CYS 34 HA CYS 34 3.428 -0.491 0.909 202 HB2 CYS 34 2HB CYS 34 2.237 -0.622 3.680 203 HB3 CYS 34 3HB CYS 34 2.695 0.898 2.920 204 H TYR 35 H TYR 35 5.479 -0.090 0.678 205 HA TYR 35 HA TYR 35 7.261 -0.088 3.021 206 HB2 TYR 35 2HB TYR 35 7.783 -0.650 0.109 207 HB3 TYR 35 3HB TYR 35 9.089 -0.187 1.195 208 HD1 TYR 35 HD1 TYR 35 9.408 -1.621 3.314 209 HD2 TYR 35 HD2 TYR 35 7.136 -2.892 -0.056 210 HE1 TYR 35 HE1 TYR 35 9.640 -3.948 4.045 211 HE2 TYR 35 HE2 TYR 35 7.357 -5.225 0.675 212 HH TYR 35 HH TYR 35 8.861 -6.590 2.059 213 H TYR 36 H TYR 36 8.680 1.632 3.336 214 HA TYR 36 HA TYR 36 7.699 4.176 2.390 215 HB2 TYR 36 2HB TYR 36 9.485 3.241 4.513 216 HB3 TYR 36 3HB TYR 36 10.030 4.732 3.757 217 HD1 TYR 36 HD2 TYR 36 8.276 6.643 3.565 218 HD2 TYR 36 HD1 TYR 36 7.857 3.312 6.181 219 HE1 TYR 36 HE2 TYR 36 6.682 7.921 4.928 220 HE2 TYR 36 HE1 TYR 36 6.259 4.583 7.550 221 HH TYR 36 HH TYR 36 5.693 6.931 8.016 222 H LEU 37 H LEU 37 8.452 5.391 0.803 223 HA LEU 37 HA LEU 37 10.574 4.404 -0.879 224 HB2 LEU 37 2HB LEU 37 8.749 6.793 -1.120 225 HB3 LEU 37 3HB LEU 37 9.968 6.384 -2.311 226 HG LEU 37 HG LEU 37 7.915 4.331 -1.594 227 HD11 LEU 37 1HD1 LEU 37 7.458 6.650 -3.465 228 HD12 LEU 37 2HD1 LEU 37 6.602 6.339 -1.956 229 HD13 LEU 37 3HD1 LEU 37 6.420 5.232 -3.317 230 HD21 LEU 37 3HD2 LEU 37 8.227 3.701 -3.938 231 HD22 LEU 37 1HD2 LEU 37 9.762 3.724 -3.072 232 HD23 LEU 37 2HD2 LEU 37 9.341 5.050 -4.156 Start of MODEL 7 1 H1 PCA 1 H1 PCA 1 -11.933 3.461 3.136 2 HA PCA 1 HA PCA 1 -11.389 5.778 3.066 3 HB2 PCA 1 3HB PCA 1 -10.687 6.023 5.348 4 HB3 PCA 1 2HB PCA 1 -9.022 5.992 4.644 5 HG2 PCA 1 3HG PCA 1 -10.980 4.823 6.562 6 HG3 PCA 1 2HG PCA 1 -9.416 4.069 6.157 7 H GLY 2 H GLY 2 -8.844 3.288 3.116 8 HA2 GLY 2 2HA GLY 2 -7.482 2.736 1.261 9 HA3 GLY 2 3HA GLY 2 -7.774 4.335 0.596 10 H CYS 3 H CYS 3 -6.565 3.213 3.753 11 HA CYS 3 HA CYS 3 -3.997 4.529 3.234 12 HB2 CYS 3 2HB CYS 3 -5.788 5.913 4.637 13 HB3 CYS 3 3HB CYS 3 -5.208 4.888 5.944 14 H ALA 4 H ALA 4 -2.531 2.987 3.455 15 HA ALA 4 HA ALA 4 -2.852 1.010 5.617 16 HB1 ALA 4 3HB ALA 4 -2.871 0.318 3.083 17 HB2 ALA 4 1HB ALA 4 -2.035 -0.668 4.285 18 HB3 ALA 4 2HB ALA 4 -1.121 0.439 3.265 19 H PHE 5 H PHE 5 -1.027 0.432 6.827 20 HA PHE 5 HA PHE 5 1.057 2.476 6.934 21 HB2 PHE 5 2HB PHE 5 0.243 0.273 8.837 22 HB3 PHE 5 3HB PHE 5 1.657 1.287 9.098 23 HD1 PHE 5 HD2 PHE 5 1.421 3.616 9.712 24 HD2 PHE 5 HD1 PHE 5 -1.993 1.156 9.079 25 HE1 PHE 5 HE2 PHE 5 0.008 5.302 10.814 26 HE2 PHE 5 HE1 PHE 5 -3.413 2.839 10.179 27 HZ PHE 5 HZ PHE 5 -2.412 4.914 11.049 28 H GLU 6 H GLU 6 3.324 1.580 7.621 29 HA GLU 6 HA GLU 6 4.355 0.061 5.464 30 HB2 GLU 6 2HB GLU 6 5.563 1.806 6.892 31 HB3 GLU 6 3HB GLU 6 5.798 0.530 8.072 32 HG2 GLU 6 2HG GLU 6 6.937 -0.787 6.254 33 HG3 GLU 6 3HG GLU 6 6.873 0.671 5.266 34 H GLY 7 H GLY 7 4.931 -2.015 5.259 35 HA2 GLY 7 2HA GLY 7 5.314 -4.245 5.831 36 HA3 GLY 7 3HA GLY 7 4.947 -3.854 7.504 37 H GLU 8 H GLU 8 2.445 -2.557 5.919 38 HA GLU 8 HA GLU 8 0.729 -4.871 6.399 39 HB2 GLU 8 2HB GLU 8 0.345 -2.417 7.240 40 HB3 GLU 8 3HB GLU 8 -0.274 -2.151 5.618 41 HG2 GLU 8 2HG GLU 8 -1.949 -3.878 5.950 42 HG3 GLU 8 3HG GLU 8 -1.305 -4.211 7.558 43 H SER 9 H SER 9 -0.938 -5.455 4.864 44 HA SER 9 HA SER 9 0.014 -5.257 2.107 45 HB2 SER 9 2HB SER 9 -2.030 -7.114 3.350 46 HB3 SER 9 3HB SER 9 -1.494 -7.169 1.672 47 HG SER 9 HG SER 9 0.706 -7.238 2.972 48 H CYS 10 H CYS 10 -0.841 -3.777 0.837 49 HA CYS 10 HA CYS 10 -3.677 -3.054 1.189 50 HB2 CYS 10 2HB CYS 10 -3.233 -0.813 0.807 51 HB3 CYS 10 3HB CYS 10 -1.793 -1.301 1.687 52 H ASN 11 H ASN 11 -4.860 -2.528 -0.719 53 HA ASN 11 HA ASN 11 -3.922 -3.973 -3.088 54 HB2 ASN 11 2HB ASN 11 -6.719 -3.005 -2.499 55 HB3 ASN 11 3HB ASN 11 -6.232 -4.112 -3.774 56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.727 -0.292 57 HD22 ASN 11 2HD2 ASN 11 -6.619 -5.409 0.073 58 H VAL 12 H VAL 12 -3.712 -2.986 -5.052 59 HA VAL 12 HA VAL 12 -3.743 -0.069 -4.982 60 HB VAL 12 HB VAL 12 -2.464 -0.119 -7.073 61 HG11 VAL 12 1HG1 VAL 12 -1.220 -0.160 -5.010 62 HG12 VAL 12 2HG1 VAL 12 -0.406 -1.181 -6.198 63 HG13 VAL 12 3HG1 VAL 12 -1.368 -1.915 -4.914 64 HG21 VAL 12 3HG2 VAL 12 -1.797 -2.085 -8.194 65 HG22 VAL 12 1HG2 VAL 12 -3.527 -2.277 -7.901 66 HG23 VAL 12 2HG2 VAL 12 -2.360 -3.121 -6.882 67 H GLU 13 H GLU 13 -6.170 -1.835 -5.242 68 HA GLU 13 HA GLU 13 -7.211 -0.854 -7.817 69 HB2 GLU 13 2HB GLU 13 -8.102 -3.199 -6.132 70 HB3 GLU 13 3HB GLU 13 -8.863 -2.692 -7.631 71 HG2 GLU 13 2HG GLU 13 -5.963 -3.458 -7.550 72 HG3 GLU 13 3HG GLU 13 -7.231 -4.679 -7.654 73 H PHE 14 H PHE 14 -7.724 -0.962 -4.349 74 HA PHE 14 HA PHE 14 -9.803 1.066 -4.559 75 HB2 PHE 14 2HB PHE 14 -11.216 -0.312 -2.856 76 HB3 PHE 14 3HB PHE 14 -11.284 -0.740 -4.561 77 HD1 PHE 14 HD2 PHE 14 -10.228 -2.761 -5.390 78 HD2 PHE 14 HD1 PHE 14 -10.197 -1.787 -1.255 79 HE1 PHE 14 HE2 PHE 14 -9.503 -5.050 -4.862 80 HE2 PHE 14 HE1 PHE 14 -9.463 -4.070 -0.715 81 HZ PHE 14 HZ PHE 14 -9.105 -5.692 -2.526 82 H TYR 15 H TYR 15 -7.911 -0.983 -2.335 83 HA TYR 15 HA TYR 15 -7.809 1.281 -0.446 84 HB2 TYR 15 2HB TYR 15 -8.948 -0.921 0.276 85 HB3 TYR 15 3HB TYR 15 -7.324 -1.584 0.337 86 HD1 TYR 15 HD2 TYR 15 -5.675 -0.661 1.997 87 HD2 TYR 15 HD1 TYR 15 -9.770 0.512 1.989 88 HE1 TYR 15 HE2 TYR 15 -5.425 0.211 4.279 89 HE2 TYR 15 HE1 TYR 15 -9.526 1.389 4.272 90 HH TYR 15 HH TYR 15 -6.510 1.852 5.753 91 HA PRO 16 HA PRO 16 -3.429 0.581 -1.985 92 HB2 PRO 16 2HB PRO 16 -2.849 3.193 -2.490 93 HB3 PRO 16 3HB PRO 16 -3.685 2.162 -3.667 94 HG2 PRO 16 2HG PRO 16 -4.827 4.178 -1.787 95 HG3 PRO 16 3HG PRO 16 -5.215 3.883 -3.495 96 HD2 PRO 16 2HD PRO 16 -6.747 2.944 -1.466 97 HD3 PRO 16 3HD PRO 16 -6.579 2.103 -3.017 98 H CYS 17 H CYS 17 -1.412 2.155 -1.265 99 HA CYS 17 HA CYS 17 -1.259 1.910 1.564 100 HB2 CYS 17 2HB CYS 17 0.590 3.172 -0.469 101 HB3 CYS 17 3HB CYS 17 0.970 3.063 1.242 102 H CYS 18 H CYS 18 -0.080 4.011 2.696 103 HA CYS 18 HA CYS 18 -2.166 6.006 2.783 104 HB2 CYS 18 2HB CYS 18 0.219 5.371 4.476 105 HB3 CYS 18 3HB CYS 18 -0.547 6.950 4.616 106 HA PRO 19 HA PRO 19 0.194 8.676 0.013 107 HB2 PRO 19 2HB PRO 19 -1.716 10.563 -0.349 108 HB3 PRO 19 3HB PRO 19 -1.787 8.976 -1.136 109 HG2 PRO 19 2HG PRO 19 -3.297 9.984 1.210 110 HG3 PRO 19 3HG PRO 19 -3.811 8.885 -0.084 111 HD2 PRO 19 2HD PRO 19 -3.026 8.095 2.455 112 HD3 PRO 19 3HD PRO 19 -3.061 7.049 1.024 113 H GLY 20 H GLY 20 1.142 10.767 0.048 114 HA2 GLY 20 2HA GLY 20 1.656 12.867 0.990 115 HA3 GLY 20 3HA GLY 20 0.735 12.429 2.420 116 H LEU 21 H LEU 21 2.064 9.838 2.724 117 HA LEU 21 HA LEU 21 4.400 10.746 4.164 118 HB2 LEU 21 2HB LEU 21 3.378 7.922 3.905 119 HB3 LEU 21 3HB LEU 21 4.452 8.545 5.132 120 HG LEU 21 HG LEU 21 1.587 9.455 4.855 121 HD11 LEU 21 1HD1 LEU 21 2.675 7.301 6.660 122 HD12 LEU 21 2HD1 LEU 21 1.677 7.031 5.233 123 HD13 LEU 21 3HD1 LEU 21 1.016 7.900 6.618 124 HD21 LEU 21 3HD2 LEU 21 3.561 9.621 7.138 125 HD22 LEU 21 1HD2 LEU 21 1.881 10.156 7.190 126 HD23 LEU 21 2HD2 LEU 21 3.030 10.961 6.122 127 H GLY 22 H GLY 22 3.832 8.085 1.828 128 HA2 GLY 22 2HA GLY 22 5.358 8.290 -0.208 129 HA3 GLY 22 3HA GLY 22 6.646 8.337 0.983 130 H LEU 23 H LEU 23 3.763 6.283 1.146 131 HA LEU 23 HA LEU 23 5.486 3.934 1.291 132 HB2 LEU 23 2HB LEU 23 2.573 4.435 1.860 133 HB3 LEU 23 3HB LEU 23 3.164 2.804 1.667 134 HG LEU 23 HG LEU 23 2.930 3.395 4.018 135 HD11 LEU 23 1HD1 LEU 23 5.870 3.214 3.462 136 HD12 LEU 23 2HD1 LEU 23 4.768 1.861 3.214 137 HD13 LEU 23 3HD1 LEU 23 4.960 2.557 4.822 138 HD21 LEU 23 3HD2 LEU 23 4.829 5.619 3.360 139 HD22 LEU 23 1HD2 LEU 23 4.582 5.029 5.004 140 HD23 LEU 23 2HD2 LEU 23 3.232 5.713 4.101 141 H THR 24 H THR 24 5.082 2.025 0.075 142 HA THR 24 HA THR 24 3.531 2.272 -2.386 143 HB THR 24 HB THR 24 5.735 3.001 -3.101 144 HG1 THR 24 HG1 THR 24 5.060 1.869 -4.769 145 HG21 THR 24 3HG2 THR 24 7.692 1.424 -2.996 146 HG22 THR 24 1HG2 THR 24 6.759 0.439 -1.867 147 HG23 THR 24 2HG2 THR 24 7.203 2.091 -1.437 148 H CYS 25 H CYS 25 2.436 0.442 -2.831 149 HA CYS 25 HA CYS 25 2.832 -1.869 -1.123 150 HB2 CYS 25 2HB CYS 25 0.645 -0.733 -2.607 151 HB3 CYS 25 3HB CYS 25 0.839 -2.427 -3.035 152 H ILE 26 H ILE 26 3.974 -3.597 -1.635 153 HA ILE 26 HA ILE 26 4.563 -4.131 -4.472 154 HB ILE 26 HB ILE 26 6.457 -4.609 -2.161 155 HG12 ILE 26 2HG1 ILE 26 6.192 -2.196 -2.543 156 HG13 ILE 26 3HG1 ILE 26 7.797 -2.731 -2.999 157 HG21 ILE 26 1HG2 ILE 26 7.086 -4.744 -5.103 158 HG22 ILE 26 2HG2 ILE 26 6.677 -6.148 -4.119 159 HG23 ILE 26 3HG2 ILE 26 8.123 -5.204 -3.751 160 HD11 ILE 26 3HD1 ILE 26 5.525 -2.059 -4.870 161 HD12 ILE 26 1HD1 ILE 26 7.100 -2.671 -5.375 162 HD13 ILE 26 2HD1 ILE 26 6.978 -1.101 -4.582 163 HA PRO 27 HA PRO 27 4.616 -5.533 -5.985 164 HB2 PRO 27 2HB PRO 27 2.786 -6.980 -7.349 165 HB3 PRO 27 3HB PRO 27 4.367 -7.629 -6.885 166 HG2 PRO 27 2HG PRO 27 1.713 -8.056 -5.603 167 HG3 PRO 27 3HG PRO 27 3.011 -9.225 -5.923 168 HD2 PRO 27 2HD PRO 27 2.602 -8.094 -3.481 169 HD3 PRO 27 3HD PRO 27 4.195 -8.622 -4.054 170 H GLY 28 H GLY 28 1.475 -5.976 -4.441 171 HA2 GLY 28 2HA GLY 28 -0.023 -4.171 -4.059 172 HA3 GLY 28 3HA GLY 28 0.622 -3.364 -5.478 173 H ASN 29 H ASN 29 0.378 -5.987 -7.007 174 HA ASN 29 HA ASN 29 -2.534 -5.827 -7.468 175 HB2 ASN 29 2HB ASN 29 -0.275 -6.363 -9.407 176 HB3 ASN 29 3HB ASN 29 -1.968 -6.624 -9.810 177 HD21 ASN 29 1HD2 ASN 29 0.493 -4.272 -9.135 178 HD22 ASN 29 2HD2 ASN 29 -0.382 -2.894 -9.701 179 HA PRO 30 HA PRO 30 -4.401 -6.856 -7.250 180 HB2 PRO 30 2HB PRO 30 -5.691 -8.181 -5.248 181 HB3 PRO 30 3HB PRO 30 -5.755 -8.695 -6.944 182 HG2 PRO 30 2HG PRO 30 -4.092 -9.761 -4.715 183 HG3 PRO 30 3HG PRO 30 -4.962 -10.635 -5.994 184 HD2 PRO 30 2HD PRO 30 -2.295 -10.194 -6.094 185 HD3 PRO 30 3HD PRO 30 -3.308 -10.283 -7.548 186 H ASP 31 H ASP 31 -2.299 -7.879 -4.641 187 HA ASP 31 HA ASP 31 -2.397 -5.246 -3.447 188 HB2 ASP 31 2HB ASP 31 -2.781 -6.166 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.195 -6.179 -2.170 190 H GLY 32 H GLY 32 -0.646 -4.798 -2.061 191 HA2 GLY 32 2HA GLY 32 1.447 -6.855 -1.875 192 HA3 GLY 32 3HA GLY 32 1.830 -5.314 -2.628 193 H THR 33 H THR 33 3.483 -5.401 -0.848 194 HA THR 33 HA THR 33 2.422 -4.621 1.763 195 HB THR 33 HB THR 33 5.040 -4.674 2.238 196 HG1 THR 33 HG1 THR 33 5.531 -5.219 0.030 197 HG21 THR 33 3HG2 THR 33 3.296 -7.127 2.031 198 HG22 THR 33 1HG2 THR 33 3.367 -6.013 3.397 199 HG23 THR 33 2HG2 THR 33 4.772 -6.997 2.985 200 H CYS 34 H CYS 34 2.622 -2.673 2.616 201 HA CYS 34 HA CYS 34 3.432 -0.495 0.910 202 HB2 CYS 34 2HB CYS 34 2.235 -0.627 3.677 203 HB3 CYS 34 3HB CYS 34 2.697 0.894 2.922 204 H TYR 35 H TYR 35 5.482 -0.094 0.680 205 HA TYR 35 HA TYR 35 7.263 -0.093 3.025 206 HB2 TYR 35 2HB TYR 35 7.786 -0.656 0.114 207 HB3 TYR 35 3HB TYR 35 9.091 -0.193 1.200 208 HD1 TYR 35 HD1 TYR 35 9.411 -1.626 3.319 209 HD2 TYR 35 HD2 TYR 35 7.137 -2.899 -0.051 210 HE1 TYR 35 HE1 TYR 35 9.641 -3.951 4.052 211 HE2 TYR 35 HE2 TYR 35 7.357 -5.231 0.682 212 HH TYR 35 HH TYR 35 8.473 -6.101 3.765 213 H TYR 36 H TYR 36 8.682 1.628 3.339 214 HA TYR 36 HA TYR 36 7.705 4.172 2.391 215 HB2 TYR 36 2HB TYR 36 9.486 3.236 4.517 216 HB3 TYR 36 3HB TYR 36 10.034 4.727 3.760 217 HD1 TYR 36 HD2 TYR 36 8.280 6.638 3.564 218 HD2 TYR 36 HD1 TYR 36 7.858 3.311 6.184 219 HE1 TYR 36 HE2 TYR 36 6.686 7.919 4.924 220 HE2 TYR 36 HE1 TYR 36 6.261 4.585 7.550 221 HH TYR 36 HH TYR 36 5.693 6.931 8.014 222 H LEU 37 H LEU 37 8.459 5.382 0.801 223 HA LEU 37 HA LEU 37 10.584 4.391 -0.875 224 HB2 LEU 37 2HB LEU 37 8.764 6.783 -1.122 225 HB3 LEU 37 3HB LEU 37 9.983 6.371 -2.310 226 HG LEU 37 HG LEU 37 7.928 4.321 -1.594 227 HD11 LEU 37 1HD1 LEU 37 6.432 5.225 -3.315 228 HD12 LEU 37 2HD1 LEU 37 7.473 6.641 -3.464 229 HD13 LEU 37 3HD1 LEU 37 6.616 6.330 -1.954 230 HD21 LEU 37 3HD2 LEU 37 9.774 3.714 -3.073 231 HD22 LEU 37 1HD2 LEU 37 9.352 5.041 -4.156 232 HD23 LEU 37 2HD2 LEU 37 8.237 3.691 -3.938 Start of MODEL 8 1 H1 PCA 1 H1 PCA 1 -10.910 6.349 4.314 2 HA PCA 1 HA PCA 1 -10.412 4.028 4.144 3 HB2 PCA 1 3HB PCA 1 -12.560 3.281 3.376 4 HB3 PCA 1 2HB PCA 1 -11.747 3.196 1.766 5 HG2 PCA 1 3HG PCA 1 -13.977 4.275 3.420 6 HG3 PCA 1 2HG PCA 1 -13.588 4.854 1.779 7 H GLY 2 H GLY 2 -8.573 3.293 3.186 8 HA2 GLY 2 2HA GLY 2 -7.378 2.837 1.074 9 HA3 GLY 2 3HA GLY 2 -7.764 4.483 0.603 10 H CYS 3 H CYS 3 -6.524 3.190 3.675 11 HA CYS 3 HA CYS 3 -3.965 4.541 3.233 12 HB2 CYS 3 2HB CYS 3 -5.784 5.908 4.619 13 HB3 CYS 3 3HB CYS 3 -5.218 4.874 5.926 14 H ALA 4 H ALA 4 -2.513 2.986 3.445 15 HA ALA 4 HA ALA 4 -2.846 1.001 5.599 16 HB1 ALA 4 3HB ALA 4 -2.023 -0.668 4.266 17 HB2 ALA 4 1HB ALA 4 -1.071 0.439 3.279 18 HB3 ALA 4 2HB ALA 4 -2.816 0.333 3.049 19 H PHE 5 H PHE 5 -1.015 0.400 6.803 20 HA PHE 5 HA PHE 5 1.056 2.459 6.951 21 HB2 PHE 5 2HB PHE 5 0.230 0.243 8.834 22 HB3 PHE 5 3HB PHE 5 1.640 1.257 9.114 23 HD1 PHE 5 HD1 PHE 5 1.395 3.583 9.738 24 HD2 PHE 5 HD2 PHE 5 -2.011 1.121 9.062 25 HE1 PHE 5 HE1 PHE 5 -0.032 5.259 10.839 26 HE2 PHE 5 HE2 PHE 5 -3.443 2.793 10.161 27 HZ PHE 5 HZ PHE 5 -2.453 4.865 11.050 28 H GLU 6 H GLU 6 3.323 1.584 7.623 29 HA GLU 6 HA GLU 6 4.365 0.066 5.476 30 HB2 GLU 6 2HB GLU 6 5.566 1.813 6.901 31 HB3 GLU 6 3HB GLU 6 5.793 0.543 8.091 32 HG2 GLU 6 2HG GLU 6 6.944 -0.783 6.284 33 HG3 GLU 6 3HG GLU 6 6.891 0.673 5.293 34 H GLY 7 H GLY 7 4.934 -2.010 5.264 35 HA2 GLY 7 2HA GLY 7 5.322 -4.240 5.831 36 HA3 GLY 7 3HA GLY 7 4.959 -3.854 7.505 37 H GLU 8 H GLU 8 2.453 -2.556 5.920 38 HA GLU 8 HA GLU 8 0.738 -4.871 6.406 39 HB2 GLU 8 2HB GLU 8 0.357 -2.415 7.247 40 HB3 GLU 8 3HB GLU 8 -0.269 -2.152 5.626 41 HG2 GLU 8 2HG GLU 8 -1.941 -3.878 5.967 42 HG3 GLU 8 3HG GLU 8 -1.291 -4.212 7.571 43 H SER 9 H SER 9 -0.934 -5.450 4.873 44 HA SER 9 HA SER 9 0.015 -5.253 2.114 45 HB2 SER 9 2HB SER 9 -2.030 -7.108 3.358 46 HB3 SER 9 3HB SER 9 -1.493 -7.164 1.679 47 HG SER 9 HG SER 9 0.608 -7.615 2.441 48 H CYS 10 H CYS 10 -0.848 -3.789 0.832 49 HA CYS 10 HA CYS 10 -3.681 -3.060 1.191 50 HB2 CYS 10 2HB CYS 10 -3.239 -0.820 0.810 51 HB3 CYS 10 3HB CYS 10 -1.795 -1.307 1.686 52 H ASN 11 H ASN 11 -4.865 -2.534 -0.718 53 HA ASN 11 HA ASN 11 -3.925 -3.975 -3.088 54 HB2 ASN 11 2HB ASN 11 -6.723 -3.010 -2.502 55 HB3 ASN 11 3HB ASN 11 -6.234 -4.118 -3.775 56 HD21 ASN 11 1HD2 ASN 11 -6.460 -3.728 -0.292 57 HD22 ASN 11 2HD2 ASN 11 -6.623 -5.410 0.075 58 H VAL 12 H VAL 12 -3.716 -2.984 -5.051 59 HA VAL 12 HA VAL 12 -3.748 -0.067 -4.973 60 HB VAL 12 HB VAL 12 -2.469 -0.111 -7.064 61 HG11 VAL 12 1HG1 VAL 12 -0.409 -1.164 -6.190 62 HG12 VAL 12 2HG1 VAL 12 -1.367 -1.915 -4.914 63 HG13 VAL 12 3HG1 VAL 12 -1.230 -0.157 -4.994 64 HG21 VAL 12 3HG2 VAL 12 -2.360 -3.112 -6.878 65 HG22 VAL 12 1HG2 VAL 12 -1.796 -2.075 -8.189 66 HG23 VAL 12 2HG2 VAL 12 -3.527 -2.269 -7.897 67 H GLU 13 H GLU 13 -6.174 -1.839 -5.244 68 HA GLU 13 HA GLU 13 -7.212 -0.846 -7.814 69 HB2 GLU 13 2HB GLU 13 -8.104 -3.201 -6.144 70 HB3 GLU 13 3HB GLU 13 -8.862 -2.688 -7.640 71 HG2 GLU 13 2HG GLU 13 -5.962 -3.449 -7.561 72 HG3 GLU 13 3HG GLU 13 -7.228 -4.673 -7.671 73 H PHE 14 H PHE 14 -7.732 -0.977 -4.348 74 HA PHE 14 HA PHE 14 -9.815 1.048 -4.550 75 HB2 PHE 14 2HB PHE 14 -11.225 -0.341 -2.855 76 HB3 PHE 14 3HB PHE 14 -11.291 -0.760 -4.563 77 HD1 PHE 14 HD2 PHE 14 -10.232 -2.776 -5.401 78 HD2 PHE 14 HD1 PHE 14 -10.200 -1.820 -1.260 79 HE1 PHE 14 HE2 PHE 14 -9.501 -5.066 -4.884 80 HE2 PHE 14 HE1 PHE 14 -9.462 -4.105 -0.732 81 HZ PHE 14 HZ PHE 14 -9.101 -5.718 -2.551 82 H TYR 15 H TYR 15 -7.916 -1.003 -2.335 83 HA TYR 15 HA TYR 15 -7.828 1.250 -0.434 84 HB2 TYR 15 2HB TYR 15 -8.952 -0.963 0.275 85 HB3 TYR 15 3HB TYR 15 -7.323 -1.618 0.328 86 HD1 TYR 15 HD1 TYR 15 -5.665 -0.653 1.976 87 HD2 TYR 15 HD2 TYR 15 -9.791 0.404 2.020 88 HE1 TYR 15 HE1 TYR 15 -5.417 0.199 4.266 89 HE2 TYR 15 HE2 TYR 15 -9.549 1.263 4.310 90 HH TYR 15 HH TYR 15 -8.064 0.955 6.246 91 HA PRO 16 HA PRO 16 -3.441 0.589 -1.978 92 HB2 PRO 16 2HB PRO 16 -2.880 3.206 -2.470 93 HB3 PRO 16 3HB PRO 16 -3.710 2.176 -3.651 94 HG2 PRO 16 2HG PRO 16 -4.865 4.174 -1.761 95 HG3 PRO 16 3HG PRO 16 -5.251 3.886 -3.470 96 HD2 PRO 16 2HD PRO 16 -6.777 2.925 -1.447 97 HD3 PRO 16 3HD PRO 16 -6.602 2.093 -3.002 98 H CYS 17 H CYS 17 -1.431 2.159 -1.250 99 HA CYS 17 HA CYS 17 -1.282 1.913 1.580 100 HB2 CYS 17 2HB CYS 17 0.573 3.181 -0.443 101 HB3 CYS 17 3HB CYS 17 0.950 3.056 1.267 102 H CYS 18 H CYS 18 -0.086 4.023 2.698 103 HA CYS 18 HA CYS 18 -2.173 6.021 2.788 104 HB2 CYS 18 2HB CYS 18 0.215 5.387 4.480 105 HB3 CYS 18 3HB CYS 18 -0.559 6.962 4.622 106 HA PRO 19 HA PRO 19 0.201 8.677 0.015 107 HB2 PRO 19 2HB PRO 19 -1.701 10.571 -0.356 108 HB3 PRO 19 3HB PRO 19 -1.777 8.981 -1.138 109 HG2 PRO 19 2HG PRO 19 -3.284 10.002 1.204 110 HG3 PRO 19 3HG PRO 19 -3.804 8.903 -0.087 111 HD2 PRO 19 2HD PRO 19 -3.025 8.113 2.454 112 HD3 PRO 19 3HD PRO 19 -3.063 7.065 1.023 113 H GLY 20 H GLY 20 1.143 10.776 0.042 114 HA2 GLY 20 2HA GLY 20 1.665 12.874 0.983 115 HA3 GLY 20 3HA GLY 20 0.743 12.439 2.414 116 H LEU 21 H LEU 21 2.067 9.846 2.723 117 HA LEU 21 HA LEU 21 4.404 10.752 4.162 118 HB2 LEU 21 2HB LEU 21 3.378 7.929 3.905 119 HB3 LEU 21 3HB LEU 21 4.452 8.551 5.132 120 HG LEU 21 HG LEU 21 1.589 9.465 4.854 121 HD11 LEU 21 1HD1 LEU 21 1.673 7.041 5.229 122 HD12 LEU 21 2HD1 LEU 21 1.015 7.909 6.615 123 HD13 LEU 21 3HD1 LEU 21 2.671 7.307 6.658 124 HD21 LEU 21 3HD2 LEU 21 3.563 9.625 7.138 125 HD22 LEU 21 1HD2 LEU 21 1.883 10.164 7.191 126 HD23 LEU 21 2HD2 LEU 21 3.034 10.967 6.123 127 H GLY 22 H GLY 22 3.835 8.086 1.832 128 HA2 GLY 22 2HA GLY 22 5.365 8.290 -0.204 129 HA3 GLY 22 3HA GLY 22 6.650 8.334 0.990 130 H LEU 23 H LEU 23 3.763 6.286 1.147 131 HA LEU 23 HA LEU 23 5.480 3.934 1.294 132 HB2 LEU 23 2HB LEU 23 2.566 4.439 1.860 133 HB3 LEU 23 3HB LEU 23 3.156 2.806 1.666 134 HG LEU 23 HG LEU 23 2.921 3.399 4.018 135 HD11 LEU 23 1HD1 LEU 23 4.951 2.561 4.825 136 HD12 LEU 23 2HD1 LEU 23 5.860 3.210 3.463 137 HD13 LEU 23 3HD1 LEU 23 4.755 1.859 3.219 138 HD21 LEU 23 3HD2 LEU 23 3.229 5.718 4.103 139 HD22 LEU 23 1HD2 LEU 23 4.827 5.619 3.361 140 HD23 LEU 23 2HD2 LEU 23 4.578 5.029 5.005 141 H THR 24 H THR 24 5.078 2.026 0.078 142 HA THR 24 HA THR 24 3.530 2.273 -2.386 143 HB THR 24 HB THR 24 5.737 3.002 -3.098 144 HG1 THR 24 HG1 THR 24 6.111 1.374 -4.690 145 HG21 THR 24 3HG2 THR 24 7.692 1.425 -2.988 146 HG22 THR 24 1HG2 THR 24 6.757 0.438 -1.863 147 HG23 THR 24 2HG2 THR 24 7.201 2.090 -1.430 148 H CYS 25 H CYS 25 2.433 0.445 -2.828 149 HA CYS 25 HA CYS 25 2.828 -1.866 -1.121 150 HB2 CYS 25 2HB CYS 25 0.642 -0.729 -2.603 151 HB3 CYS 25 3HB CYS 25 0.836 -2.422 -3.036 152 H ILE 26 H ILE 26 3.971 -3.594 -1.634 153 HA ILE 26 HA ILE 26 4.561 -4.126 -4.471 154 HB ILE 26 HB ILE 26 6.452 -4.609 -2.159 155 HG12 ILE 26 2HG1 ILE 26 6.189 -2.196 -2.538 156 HG13 ILE 26 3HG1 ILE 26 7.795 -2.731 -2.994 157 HG21 ILE 26 1HG2 ILE 26 8.120 -5.200 -3.749 158 HG22 ILE 26 2HG2 ILE 26 7.082 -4.741 -5.100 159 HG23 ILE 26 3HG2 ILE 26 6.675 -6.147 -4.117 160 HD11 ILE 26 3HD1 ILE 26 6.983 -1.100 -4.576 161 HD12 ILE 26 1HD1 ILE 26 5.524 -2.052 -4.863 162 HD13 ILE 26 2HD1 ILE 26 7.095 -2.671 -5.371 163 HA PRO 27 HA PRO 27 4.613 -5.527 -5.984 164 HB2 PRO 27 2HB PRO 27 2.783 -6.972 -7.351 165 HB3 PRO 27 3HB PRO 27 4.365 -7.622 -6.885 166 HG2 PRO 27 2HG PRO 27 1.710 -8.048 -5.605 167 HG3 PRO 27 3HG PRO 27 3.006 -9.219 -5.926 168 HD2 PRO 27 2HD PRO 27 2.601 -8.094 -3.483 169 HD3 PRO 27 3HD PRO 27 4.194 -8.618 -4.059 170 H GLY 28 H GLY 28 1.474 -5.970 -4.440 171 HA2 GLY 28 2HA GLY 28 -0.028 -4.168 -4.058 172 HA3 GLY 28 3HA GLY 28 0.620 -3.357 -5.475 173 H ASN 29 H ASN 29 0.379 -5.976 -7.011 174 HA ASN 29 HA ASN 29 -2.534 -5.818 -7.473 175 HB2 ASN 29 2HB ASN 29 -0.273 -6.346 -9.413 176 HB3 ASN 29 3HB ASN 29 -1.965 -6.606 -9.817 177 HD21 ASN 29 1HD2 ASN 29 -3.332 -4.836 -10.044 178 HD22 ASN 29 2HD2 ASN 29 -2.726 -3.232 -10.254 179 HA PRO 30 HA PRO 30 -4.399 -6.851 -7.260 180 HB2 PRO 30 2HB PRO 30 -5.689 -8.182 -5.262 181 HB3 PRO 30 3HB PRO 30 -5.751 -8.691 -6.961 182 HG2 PRO 30 2HG PRO 30 -4.087 -9.762 -4.732 183 HG3 PRO 30 3HG PRO 30 -4.955 -10.633 -6.013 184 HD2 PRO 30 2HD PRO 30 -2.290 -10.189 -6.113 185 HD3 PRO 30 3HD PRO 30 -3.302 -10.275 -7.566 186 H ASP 31 H ASP 31 -2.298 -7.877 -4.652 187 HA ASP 31 HA ASP 31 -2.399 -5.247 -3.450 188 HB2 ASP 31 2HB ASP 31 -2.786 -6.173 -1.132 189 HB3 ASP 31 3HB ASP 31 -4.199 -6.184 -2.178 190 H GLY 32 H GLY 32 -0.652 -4.801 -2.061 191 HA2 GLY 32 2HA GLY 32 1.442 -6.856 -1.876 192 HA3 GLY 32 3HA GLY 32 1.826 -5.315 -2.627 193 H THR 33 H THR 33 3.478 -5.400 -0.848 194 HA THR 33 HA THR 33 2.416 -4.621 1.763 195 HB THR 33 HB THR 33 5.036 -4.674 2.235 196 HG1 THR 33 HG1 THR 33 4.792 -5.771 -0.230 197 HG21 THR 33 3HG2 THR 33 3.363 -6.008 3.400 198 HG22 THR 33 1HG2 THR 33 4.766 -6.993 2.990 199 HG23 THR 33 2HG2 THR 33 3.287 -7.125 2.037 200 H CYS 34 H CYS 34 2.610 -2.672 2.613 201 HA CYS 34 HA CYS 34 3.423 -0.494 0.909 202 HB2 CYS 34 2HB CYS 34 2.227 -0.623 3.676 203 HB3 CYS 34 3HB CYS 34 2.684 0.896 2.913 204 H TYR 35 H TYR 35 5.476 -0.096 0.682 205 HA TYR 35 HA TYR 35 7.252 -0.095 3.030 206 HB2 TYR 35 2HB TYR 35 7.780 -0.658 0.120 207 HB3 TYR 35 3HB TYR 35 9.084 -0.197 1.210 208 HD1 TYR 35 HD2 TYR 35 9.395 -1.632 3.329 209 HD2 TYR 35 HD1 TYR 35 7.129 -2.900 -0.047 210 HE1 TYR 35 HE2 TYR 35 9.618 -3.958 4.063 211 HE2 TYR 35 HE1 TYR 35 7.344 -5.233 0.685 212 HH TYR 35 HH TYR 35 8.451 -6.106 3.771 213 H TYR 36 H TYR 36 8.681 1.622 3.339 214 HA TYR 36 HA TYR 36 7.704 4.169 2.394 215 HB2 TYR 36 2HB TYR 36 9.488 3.230 4.518 216 HB3 TYR 36 3HB TYR 36 10.032 4.723 3.761 217 HD1 TYR 36 HD2 TYR 36 8.277 6.632 3.570 218 HD2 TYR 36 HD1 TYR 36 7.860 3.301 6.186 219 HE1 TYR 36 HE2 TYR 36 6.683 7.909 4.934 220 HE2 TYR 36 HE1 TYR 36 6.262 4.570 7.555 221 HH TYR 36 HH TYR 36 4.849 7.469 6.520 222 H LEU 37 H LEU 37 8.459 5.380 0.805 223 HA LEU 37 HA LEU 37 10.580 4.385 -0.874 224 HB2 LEU 37 2HB LEU 37 8.764 6.781 -1.119 225 HB3 LEU 37 3HB LEU 37 9.981 6.365 -2.308 226 HG LEU 37 HG LEU 37 7.921 4.320 -1.589 227 HD11 LEU 37 1HD1 LEU 37 7.471 6.642 -3.459 228 HD12 LEU 37 2HD1 LEU 37 6.614 6.333 -1.949 229 HD13 LEU 37 3HD1 LEU 37 6.427 5.228 -3.311 230 HD21 LEU 37 3HD2 LEU 37 9.346 5.036 -4.154 231 HD22 LEU 37 1HD2 LEU 37 8.228 3.690 -3.935 232 HD23 LEU 37 2HD2 LEU 37 9.766 3.710 -3.071 Start of MODEL 9 1 H1 PCA 1 H1 PCA 1 -11.934 3.506 3.109 2 HA PCA 1 HA PCA 1 -11.370 5.818 3.025 3 HB2 PCA 1 3HB PCA 1 -10.677 6.076 5.307 4 HB3 PCA 1 2HB PCA 1 -9.010 6.027 4.612 5 HG2 PCA 1 3HG PCA 1 -10.985 4.888 6.528 6 HG3 PCA 1 2HG PCA 1 -9.426 4.118 6.137 7 H GLY 2 H GLY 2 -8.845 3.310 3.106 8 HA2 GLY 2 2HA GLY 2 -7.477 2.731 1.264 9 HA3 GLY 2 3HA GLY 2 -7.755 4.326 0.582 10 H CYS 3 H CYS 3 -6.567 3.223 3.752 11 HA CYS 3 HA CYS 3 -3.993 4.529 3.235 12 HB2 CYS 3 2HB CYS 3 -5.786 5.916 4.635 13 HB3 CYS 3 3HB CYS 3 -5.209 4.890 5.943 14 H ALA 4 H ALA 4 -2.531 2.986 3.458 15 HA ALA 4 HA ALA 4 -2.855 1.012 5.622 16 HB1 ALA 4 3HB ALA 4 -1.129 0.434 3.264 17 HB2 ALA 4 1HB ALA 4 -2.881 0.314 3.092 18 HB3 ALA 4 2HB ALA 4 -2.041 -0.669 4.291 19 H PHE 5 H PHE 5 -1.032 0.436 6.833 20 HA PHE 5 HA PHE 5 1.055 2.476 6.935 21 HB2 PHE 5 2HB PHE 5 0.240 0.275 8.840 22 HB3 PHE 5 3HB PHE 5 1.657 1.286 9.099 23 HD1 PHE 5 HD2 PHE 5 1.430 3.616 9.712 24 HD2 PHE 5 HD1 PHE 5 -1.994 1.166 9.084 25 HE1 PHE 5 HE2 PHE 5 0.023 5.306 10.814 26 HE2 PHE 5 HE1 PHE 5 -3.407 2.853 10.185 27 HZ PHE 5 HZ PHE 5 -2.399 4.926 11.053 28 H GLU 6 H GLU 6 3.322 1.579 7.620 29 HA GLU 6 HA GLU 6 4.350 0.061 5.463 30 HB2 GLU 6 2HB GLU 6 5.561 1.805 6.891 31 HB3 GLU 6 3HB GLU 6 5.797 0.527 8.068 32 HG2 GLU 6 2HG GLU 6 6.933 -0.787 6.245 33 HG3 GLU 6 3HG GLU 6 6.868 0.674 5.261 34 H GLY 7 H GLY 7 4.930 -2.016 5.258 35 HA2 GLY 7 2HA GLY 7 5.314 -4.245 5.831 36 HA3 GLY 7 3HA GLY 7 4.946 -3.855 7.502 37 H GLU 8 H GLU 8 2.443 -2.559 5.917 38 HA GLU 8 HA GLU 8 0.729 -4.875 6.397 39 HB2 GLU 8 2HB GLU 8 0.344 -2.422 7.240 40 HB3 GLU 8 3HB GLU 8 -0.276 -2.154 5.618 41 HG2 GLU 8 2HG GLU 8 -1.949 -3.881 5.947 42 HG3 GLU 8 3HG GLU 8 -1.307 -4.216 7.554 43 H SER 9 H SER 9 -0.938 -5.458 4.863 44 HA SER 9 HA SER 9 0.013 -5.259 2.105 45 HB2 SER 9 2HB SER 9 -2.030 -7.117 3.348 46 HB3 SER 9 3HB SER 9 -1.493 -7.173 1.670 47 HG SER 9 HG SER 9 0.670 -7.192 3.180 48 H CYS 10 H CYS 10 -0.840 -3.776 0.839 49 HA CYS 10 HA CYS 10 -3.677 -3.055 1.191 50 HB2 CYS 10 2HB CYS 10 -3.234 -0.814 0.809 51 HB3 CYS 10 3HB CYS 10 -1.793 -1.302 1.688 52 H ASN 11 H ASN 11 -4.861 -2.529 -0.718 53 HA ASN 11 HA ASN 11 -3.922 -3.972 -3.087 54 HB2 ASN 11 2HB ASN 11 -6.720 -3.007 -2.498 55 HB3 ASN 11 3HB ASN 11 -6.232 -4.112 -3.774 56 HD21 ASN 11 1HD2 ASN 11 -6.454 -3.730 -0.290 57 HD22 ASN 11 2HD2 ASN 11 -6.616 -5.413 0.073 58 H VAL 12 H VAL 12 -3.712 -2.986 -5.051 59 HA VAL 12 HA VAL 12 -3.744 -0.069 -4.980 60 HB VAL 12 HB VAL 12 -2.465 -0.119 -7.071 61 HG11 VAL 12 1HG1 VAL 12 -1.367 -1.916 -4.913 62 HG12 VAL 12 2HG1 VAL 12 -1.221 -0.160 -5.007 63 HG13 VAL 12 3HG1 VAL 12 -0.406 -1.179 -6.197 64 HG21 VAL 12 3HG2 VAL 12 -2.361 -3.119 -6.879 65 HG22 VAL 12 1HG2 VAL 12 -1.796 -2.085 -8.192 66 HG23 VAL 12 2HG2 VAL 12 -3.528 -2.276 -7.899 67 H GLU 13 H GLU 13 -6.171 -1.836 -5.241 68 HA GLU 13 HA GLU 13 -7.211 -0.855 -7.815 69 HB2 GLU 13 2HB GLU 13 -8.103 -3.200 -6.130 70 HB3 GLU 13 3HB GLU 13 -8.863 -2.694 -7.628 71 HG2 GLU 13 2HG GLU 13 -5.964 -3.458 -7.550 72 HG3 GLU 13 3HG GLU 13 -7.231 -4.680 -7.651 73 H PHE 14 H PHE 14 -7.725 -0.964 -4.346 74 HA PHE 14 HA PHE 14 -9.805 1.064 -4.556 75 HB2 PHE 14 2HB PHE 14 -11.216 -0.315 -2.854 76 HB3 PHE 14 3HB PHE 14 -11.286 -0.742 -4.558 77 HD1 PHE 14 HD2 PHE 14 -10.228 -2.763 -5.388 78 HD2 PHE 14 HD1 PHE 14 -10.197 -1.789 -1.252 79 HE1 PHE 14 HE2 PHE 14 -9.503 -5.051 -4.861 80 HE2 PHE 14 HE1 PHE 14 -9.463 -4.073 -0.713 81 HZ PHE 14 HZ PHE 14 -9.104 -5.694 -2.524 82 H TYR 15 H TYR 15 -7.912 -0.984 -2.332 83 HA TYR 15 HA TYR 15 -7.809 1.279 -0.444 84 HB2 TYR 15 2HB TYR 15 -8.948 -0.924 0.278 85 HB3 TYR 15 3HB TYR 15 -7.324 -1.586 0.339 86 HD1 TYR 15 HD1 TYR 15 -5.675 -0.661 2.000 87 HD2 TYR 15 HD2 TYR 15 -9.772 0.507 1.992 88 HE1 TYR 15 HE1 TYR 15 -5.426 0.210 4.282 89 HE2 TYR 15 HE2 TYR 15 -9.528 1.385 4.274 90 HH TYR 15 HH TYR 15 -8.072 1.060 6.227 91 HA PRO 16 HA PRO 16 -3.430 0.581 -1.983 92 HB2 PRO 16 2HB PRO 16 -2.851 3.193 -2.488 93 HB3 PRO 16 3HB PRO 16 -3.687 2.161 -3.665 94 HG2 PRO 16 2HG PRO 16 -4.829 4.177 -1.785 95 HG3 PRO 16 3HG PRO 16 -5.216 3.881 -3.493 96 HD2 PRO 16 2HD PRO 16 -6.749 2.942 -1.464 97 HD3 PRO 16 3HD PRO 16 -6.581 2.101 -3.015 98 H CYS 17 H CYS 17 -1.413 2.155 -1.263 99 HA CYS 17 HA CYS 17 -1.260 1.909 1.565 100 HB2 CYS 17 2HB CYS 17 0.589 3.171 -0.466 101 HB3 CYS 17 3HB CYS 17 0.968 3.063 1.245 102 H CYS 18 H CYS 18 -0.080 4.012 2.696 103 HA CYS 18 HA CYS 18 -2.166 6.007 2.784 104 HB2 CYS 18 2HB CYS 18 0.219 5.372 4.476 105 HB3 CYS 18 3HB CYS 18 -0.547 6.951 4.616 106 HA PRO 19 HA PRO 19 0.194 8.676 0.013 107 HB2 PRO 19 2HB PRO 19 -1.715 10.564 -0.350 108 HB3 PRO 19 3HB PRO 19 -1.786 8.976 -1.136 109 HG2 PRO 19 2HG PRO 19 -3.295 9.985 1.210 110 HG3 PRO 19 3HG PRO 19 -3.810 8.886 -0.083 111 HD2 PRO 19 2HD PRO 19 -3.025 8.096 2.455 112 HD3 PRO 19 3HD PRO 19 -3.062 7.050 1.024 113 H GLY 20 H GLY 20 1.142 10.767 0.047 114 HA2 GLY 20 2HA GLY 20 1.657 12.868 0.989 115 HA3 GLY 20 3HA GLY 20 0.736 12.430 2.419 116 H LEU 21 H LEU 21 2.064 9.838 2.724 117 HA LEU 21 HA LEU 21 4.401 10.747 4.163 118 HB2 LEU 21 2HB LEU 21 3.378 7.923 3.905 119 HB3 LEU 21 3HB LEU 21 4.453 8.546 5.132 120 HG LEU 21 HG LEU 21 1.588 9.455 4.856 121 HD11 LEU 21 1HD1 LEU 21 1.017 7.901 6.618 122 HD12 LEU 21 2HD1 LEU 21 2.675 7.302 6.661 123 HD13 LEU 21 3HD1 LEU 21 1.677 7.032 5.233 124 HD21 LEU 21 3HD2 LEU 21 3.562 9.621 7.139 125 HD22 LEU 21 1HD2 LEU 21 1.882 10.157 7.191 126 HD23 LEU 21 2HD2 LEU 21 3.031 10.962 6.122 127 H GLY 22 H GLY 22 3.832 8.086 1.827 128 HA2 GLY 22 2HA GLY 22 5.358 8.291 -0.209 129 HA3 GLY 22 3HA GLY 22 6.645 8.337 0.982 130 H LEU 23 H LEU 23 3.763 6.284 1.146 131 HA LEU 23 HA LEU 23 5.486 3.935 1.291 132 HB2 LEU 23 2HB LEU 23 2.571 4.436 1.861 133 HB3 LEU 23 3HB LEU 23 3.163 2.804 1.667 134 HG LEU 23 HG LEU 23 2.930 3.394 4.018 135 HD11 LEU 23 1HD1 LEU 23 5.870 3.215 3.463 136 HD12 LEU 23 2HD1 LEU 23 4.769 1.862 3.211 137 HD13 LEU 23 3HD1 LEU 23 4.960 2.556 4.820 138 HD21 LEU 23 3HD2 LEU 23 3.232 5.714 4.102 139 HD22 LEU 23 1HD2 LEU 23 4.830 5.620 3.361 140 HD23 LEU 23 2HD2 LEU 23 4.583 5.029 5.004 141 H THR 24 H THR 24 5.083 2.026 0.074 142 HA THR 24 HA THR 24 3.530 2.272 -2.387 143 HB THR 24 HB THR 24 5.735 3.003 -3.102 144 HG1 THR 24 HG1 THR 24 5.058 1.869 -4.768 145 HG21 THR 24 3HG2 THR 24 7.202 2.094 -1.437 146 HG22 THR 24 1HG2 THR 24 7.692 1.427 -2.996 147 HG23 THR 24 2HG2 THR 24 6.759 0.442 -1.866 148 H CYS 25 H CYS 25 2.435 0.444 -2.830 149 HA CYS 25 HA CYS 25 2.832 -1.868 -1.122 150 HB2 CYS 25 2HB CYS 25 0.645 -0.732 -2.605 151 HB3 CYS 25 3HB CYS 25 0.839 -2.426 -3.035 152 H ILE 26 H ILE 26 3.973 -3.596 -1.636 153 HA ILE 26 HA ILE 26 4.562 -4.129 -4.472 154 HB ILE 26 HB ILE 26 6.457 -4.609 -2.163 155 HG12 ILE 26 2HG1 ILE 26 6.192 -2.196 -2.542 156 HG13 ILE 26 3HG1 ILE 26 7.797 -2.730 -3.000 157 HG21 ILE 26 1HG2 ILE 26 7.082 -4.743 -5.106 158 HG22 ILE 26 2HG2 ILE 26 6.679 -6.147 -4.118 159 HG23 ILE 26 3HG2 ILE 26 8.123 -5.199 -3.754 160 HD11 ILE 26 3HD1 ILE 26 6.978 -1.099 -4.581 161 HD12 ILE 26 1HD1 ILE 26 5.523 -2.055 -4.869 162 HD13 ILE 26 2HD1 ILE 26 7.096 -2.669 -5.376 163 HA PRO 27 HA PRO 27 4.616 -5.532 -5.986 164 HB2 PRO 27 2HB PRO 27 2.786 -6.978 -7.349 165 HB3 PRO 27 3HB PRO 27 4.368 -7.627 -6.886 166 HG2 PRO 27 2HG PRO 27 1.714 -8.055 -5.603 167 HG3 PRO 27 3HG PRO 27 3.012 -9.223 -5.923 168 HD2 PRO 27 2HD PRO 27 2.603 -8.094 -3.482 169 HD3 PRO 27 3HD PRO 27 4.196 -8.621 -4.055 170 H GLY 28 H GLY 28 1.476 -5.975 -4.441 171 HA2 GLY 28 2HA GLY 28 -0.023 -4.170 -4.059 172 HA3 GLY 28 3HA GLY 28 0.623 -3.363 -5.478 173 H ASN 29 H ASN 29 0.379 -5.987 -7.007 174 HA ASN 29 HA ASN 29 -2.534 -5.827 -7.467 175 HB2 ASN 29 2HB ASN 29 -0.275 -6.361 -9.408 176 HB3 ASN 29 3HB ASN 29 -1.969 -6.622 -9.810 177 HD21 ASN 29 1HD2 ASN 29 -3.334 -4.852 -10.042 178 HD22 ASN 29 2HD2 ASN 29 -2.728 -3.249 -10.256 179 HA PRO 30 HA PRO 30 -4.401 -6.856 -7.250 180 HB2 PRO 30 2HB PRO 30 -5.691 -8.181 -5.248 181 HB3 PRO 30 3HB PRO 30 -5.755 -8.695 -6.945 182 HG2 PRO 30 2HG PRO 30 -4.091 -9.762 -4.716 183 HG3 PRO 30 3HG PRO 30 -4.960 -10.634 -5.994 184 HD2 PRO 30 2HD PRO 30 -2.294 -10.193 -6.095 185 HD3 PRO 30 3HD PRO 30 -3.307 -10.282 -7.548 186 H ASP 31 H ASP 31 -2.298 -7.878 -4.642 187 HA ASP 31 HA ASP 31 -2.396 -5.246 -3.447 188 HB2 ASP 31 2HB ASP 31 -2.780 -6.167 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.195 -6.179 -2.171 190 H GLY 32 H GLY 32 -0.646 -4.799 -2.061 191 HA2 GLY 32 2HA GLY 32 1.447 -6.854 -1.876 192 HA3 GLY 32 3HA GLY 32 1.830 -5.314 -2.628 193 H THR 33 H THR 33 3.484 -5.400 -0.848 194 HA THR 33 HA THR 33 2.422 -4.620 1.763 195 HB THR 33 HB THR 33 5.041 -4.674 2.238 196 HG1 THR 33 HG1 THR 33 5.442 -5.237 -0.028 197 HG21 THR 33 3HG2 THR 33 3.297 -7.126 2.030 198 HG22 THR 33 1HG2 THR 33 3.368 -6.013 3.396 199 HG23 THR 33 2HG2 THR 33 4.774 -6.996 2.985 200 H CYS 34 H CYS 34 2.622 -2.673 2.617 201 HA CYS 34 HA CYS 34 3.432 -0.495 0.911 202 HB2 CYS 34 2HB CYS 34 2.237 -0.626 3.678 203 HB3 CYS 34 3HB CYS 34 2.699 0.894 2.922 204 H TYR 35 H TYR 35 5.482 -0.093 0.680 205 HA TYR 35 HA TYR 35 7.264 -0.093 3.024 206 HB2 TYR 35 2HB TYR 35 7.786 -0.655 0.112 207 HB3 TYR 35 3HB TYR 35 9.092 -0.192 1.197 208 HD1 TYR 35 HD2 TYR 35 9.412 -1.625 3.316 209 HD2 TYR 35 HD1 TYR 35 7.136 -2.898 -0.052 210 HE1 TYR 35 HE2 TYR 35 9.640 -3.951 4.050 211 HE2 TYR 35 HE1 TYR 35 7.357 -5.231 0.680 212 HH TYR 35 HH TYR 35 8.866 -6.594 2.066 213 H TYR 36 H TYR 36 8.681 1.628 3.339 214 HA TYR 36 HA TYR 36 7.704 4.172 2.392 215 HB2 TYR 36 2HB TYR 36 9.483 3.236 4.520 216 HB3 TYR 36 3HB TYR 36 10.032 4.727 3.763 217 HD1 TYR 36 HD1 TYR 36 8.279 6.639 3.563 218 HD2 TYR 36 HD2 TYR 36 7.857 3.314 6.187 219 HE1 TYR 36 HE1 TYR 36 6.687 7.922 4.924 220 HE2 TYR 36 HE2 TYR 36 6.259 4.588 7.551 221 HH TYR 36 HH TYR 36 5.692 6.935 8.013 222 H LEU 37 H LEU 37 8.459 5.384 0.803 223 HA LEU 37 HA LEU 37 10.585 4.394 -0.872 224 HB2 LEU 37 2HB LEU 37 8.763 6.785 -1.120 225 HB3 LEU 37 3HB LEU 37 9.983 6.373 -2.307 226 HG LEU 37 HG LEU 37 7.928 4.322 -1.592 227 HD11 LEU 37 1HD1 LEU 37 7.472 6.643 -3.463 228 HD12 LEU 37 2HD1 LEU 37 6.615 6.331 -1.953 229 HD13 LEU 37 3HD1 LEU 37 6.433 5.226 -3.315 230 HD21 LEU 37 3HD2 LEU 37 8.240 3.694 -3.937 231 HD22 LEU 37 1HD2 LEU 37 9.776 3.718 -3.072 232 HD23 LEU 37 2HD2 LEU 37 9.353 5.043 -4.155 Start of MODEL 10 1 H1 PCA 1 H1 PCA 1 -10.414 7.068 3.869 2 HA PCA 1 HA PCA 1 -10.476 4.692 3.784 3 HB2 PCA 1 3HB PCA 1 -12.660 4.452 2.817 4 HB3 PCA 1 2HB PCA 1 -11.745 4.110 1.298 5 HG2 PCA 1 3HG PCA 1 -13.792 5.757 2.701 6 HG3 PCA 1 2HG PCA 1 -13.124 6.161 1.099 7 H GLY 2 H GLY 2 -8.800 3.494 3.016 8 HA2 GLY 2 2HA GLY 2 -7.421 2.638 1.254 9 HA3 GLY 2 3HA GLY 2 -7.613 4.165 0.407 10 H CYS 3 H CYS 3 -6.549 3.181 3.661 11 HA CYS 3 HA CYS 3 -3.977 4.513 3.197 12 HB2 CYS 3 2HB CYS 3 -5.812 5.875 4.559 13 HB3 CYS 3 3HB CYS 3 -5.255 4.853 5.877 14 H ALA 4 H ALA 4 -2.504 2.984 3.439 15 HA ALA 4 HA ALA 4 -2.832 1.015 5.606 16 HB1 ALA 4 3HB ALA 4 -1.090 0.426 3.264 17 HB2 ALA 4 1HB ALA 4 -2.840 0.302 3.078 18 HB3 ALA 4 2HB ALA 4 -2.010 -0.672 4.291 19 H PHE 5 H PHE 5 -0.997 0.440 6.813 20 HA PHE 5 HA PHE 5 1.079 2.496 6.906 21 HB2 PHE 5 2HB PHE 5 0.257 0.312 8.829 22 HB3 PHE 5 3HB PHE 5 1.683 1.313 9.081 23 HD1 PHE 5 HD2 PHE 5 -1.970 1.226 9.062 24 HD2 PHE 5 HD1 PHE 5 1.475 3.648 9.678 25 HE1 PHE 5 HE2 PHE 5 -3.369 2.933 10.151 26 HE2 PHE 5 HE1 PHE 5 0.083 5.358 10.768 27 HZ PHE 5 HZ PHE 5 -2.343 5.002 11.005 28 H GLU 6 H GLU 6 3.346 1.590 7.622 29 HA GLU 6 HA GLU 6 4.381 0.071 5.467 30 HB2 GLU 6 2HB GLU 6 5.584 1.820 6.897 31 HB3 GLU 6 3HB GLU 6 5.821 0.540 8.075 32 HG2 GLU 6 2HG GLU 6 6.970 -0.771 6.269 33 HG3 GLU 6 3HG GLU 6 6.888 0.675 5.264 34 H GLY 7 H GLY 7 4.943 -2.005 5.263 35 HA2 GLY 7 2HA GLY 7 5.322 -4.236 5.838 36 HA3 GLY 7 3HA GLY 7 4.958 -3.842 7.510 37 H GLU 8 H GLU 8 2.460 -2.538 5.924 38 HA GLU 8 HA GLU 8 0.733 -4.842 6.413 39 HB2 GLU 8 2HB GLU 8 0.365 -2.372 7.231 40 HB3 GLU 8 3HB GLU 8 -0.266 -2.128 5.609 41 HG2 GLU 8 2HG GLU 8 -1.938 -3.849 5.976 42 HG3 GLU 8 3HG GLU 8 -1.285 -4.162 7.583 43 H SER 9 H SER 9 -0.930 -5.432 4.879 44 HA SER 9 HA SER 9 0.023 -5.244 2.120 45 HB2 SER 9 2HB SER 9 -0.399 -7.491 3.158 46 HB3 SER 9 3HB SER 9 -2.110 -7.075 3.246 47 HG SER 9 HG SER 9 -1.047 -8.249 1.280 48 H CYS 10 H CYS 10 -0.844 -3.783 0.836 49 HA CYS 10 HA CYS 10 -3.679 -3.060 1.196 50 HB2 CYS 10 2HB CYS 10 -3.243 -0.819 0.807 51 HB3 CYS 10 3HB CYS 10 -1.802 -1.301 1.691 52 H ASN 11 H ASN 11 -4.862 -2.531 -0.713 53 HA ASN 11 HA ASN 11 -3.925 -3.976 -3.082 54 HB2 ASN 11 2HB ASN 11 -6.723 -3.008 -2.495 55 HB3 ASN 11 3HB ASN 11 -6.235 -4.117 -3.767 56 HD21 ASN 11 1HD2 ASN 11 -6.459 -3.723 -0.285 57 HD22 ASN 11 2HD2 ASN 11 -6.623 -5.405 0.084 58 H VAL 12 H VAL 12 -3.718 -2.987 -5.048 59 HA VAL 12 HA VAL 12 -3.750 -0.071 -4.973 60 HB VAL 12 HB VAL 12 -2.473 -0.116 -7.064 61 HG11 VAL 12 1HG1 VAL 12 -1.365 -1.922 -4.921 62 HG12 VAL 12 2HG1 VAL 12 -1.239 -0.164 -4.989 63 HG13 VAL 12 3HG1 VAL 12 -0.412 -1.155 -6.192 64 HG21 VAL 12 3HG2 VAL 12 -3.532 -2.273 -7.894 65 HG22 VAL 12 1HG2 VAL 12 -2.365 -3.117 -6.877 66 HG23 VAL 12 2HG2 VAL 12 -1.801 -2.079 -8.188 67 H GLU 13 H GLU 13 -6.177 -1.841 -5.237 68 HA GLU 13 HA GLU 13 -7.217 -0.857 -7.811 69 HB2 GLU 13 2HB GLU 13 -8.104 -3.204 -6.129 70 HB3 GLU 13 3HB GLU 13 -8.871 -2.695 -7.622 71 HG2 GLU 13 2HG GLU 13 -5.971 -3.455 -7.559 72 HG3 GLU 13 3HG GLU 13 -7.236 -4.681 -7.655 73 H PHE 14 H PHE 14 -7.735 -0.975 -4.343 74 HA PHE 14 HA PHE 14 -9.816 1.052 -4.551 75 HB2 PHE 14 2HB PHE 14 -11.225 -0.331 -2.850 76 HB3 PHE 14 3HB PHE 14 -11.294 -0.757 -4.556 77 HD1 PHE 14 HD1 PHE 14 -10.230 -2.774 -5.388 78 HD2 PHE 14 HD2 PHE 14 -10.206 -1.806 -1.250 79 HE1 PHE 14 HE1 PHE 14 -9.497 -5.061 -4.863 80 HE2 PHE 14 HE2 PHE 14 -9.474 -4.091 -0.714 81 HZ PHE 14 HZ PHE 14 -9.103 -5.708 -2.528 82 H TYR 15 H TYR 15 -7.918 -0.994 -2.330 83 HA TYR 15 HA TYR 15 -7.826 1.266 -0.438 84 HB2 TYR 15 2HB TYR 15 -8.953 -0.943 0.281 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.598 0.338 86 HD1 TYR 15 HD1 TYR 15 -5.672 -0.647 1.992 87 HD2 TYR 15 HD2 TYR 15 -9.787 0.457 2.007 88 HE1 TYR 15 HE1 TYR 15 -5.425 0.221 4.275 89 HE2 TYR 15 HE2 TYR 15 -9.545 1.331 4.293 90 HH TYR 15 HH TYR 15 -8.074 1.024 6.236 91 HA PRO 16 HA PRO 16 -3.442 0.592 -1.978 92 HB2 PRO 16 2HB PRO 16 -2.873 3.208 -2.472 93 HB3 PRO 16 3HB PRO 16 -3.705 2.179 -3.654 94 HG2 PRO 16 2HG PRO 16 -4.856 4.181 -1.764 95 HG3 PRO 16 3HG PRO 16 -5.241 3.892 -3.474 96 HD2 PRO 16 2HD PRO 16 -6.772 2.936 -1.452 97 HD3 PRO 16 3HD PRO 16 -6.597 2.103 -3.006 98 H CYS 17 H CYS 17 -1.428 2.160 -1.252 99 HA CYS 17 HA CYS 17 -1.276 1.911 1.577 100 HB2 CYS 17 2HB CYS 17 0.573 3.184 -0.448 101 HB3 CYS 17 3HB CYS 17 0.952 3.063 1.263 102 H CYS 18 H CYS 18 -0.093 4.013 2.709 103 HA CYS 18 HA CYS 18 -2.181 6.011 2.796 104 HB2 CYS 18 2HB CYS 18 0.188 5.360 4.505 105 HB3 CYS 18 3HB CYS 18 -0.573 6.942 4.644 106 HA PRO 19 HA PRO 19 0.206 8.691 0.060 107 HB2 PRO 19 2HB PRO 19 -1.687 10.599 -0.284 108 HB3 PRO 19 3HB PRO 19 -1.768 9.021 -1.090 109 HG2 PRO 19 2HG PRO 19 -3.278 10.016 1.263 110 HG3 PRO 19 3HG PRO 19 -3.795 8.930 -0.041 111 HD2 PRO 19 2HD PRO 19 -3.020 8.118 2.496 112 HD3 PRO 19 3HD PRO 19 -3.064 7.081 1.056 113 H GLY 20 H GLY 20 1.128 10.810 0.095 114 HA2 GLY 20 2HA GLY 20 1.665 12.888 1.063 115 HA3 GLY 20 3HA GLY 20 0.750 12.437 2.492 116 H LEU 21 H LEU 21 2.076 9.837 2.754 117 HA LEU 21 HA LEU 21 4.423 10.724 4.193 118 HB2 LEU 21 2HB LEU 21 3.383 7.907 3.919 119 HB3 LEU 21 3HB LEU 21 4.464 8.516 5.147 120 HG LEU 21 HG LEU 21 1.608 9.457 4.887 121 HD11 LEU 21 1HD1 LEU 21 1.660 7.028 5.222 122 HD12 LEU 21 2HD1 LEU 21 1.017 7.882 6.625 123 HD13 LEU 21 3HD1 LEU 21 2.666 7.256 6.652 124 HD21 LEU 21 3HD2 LEU 21 3.083 10.917 6.178 125 HD22 LEU 21 1HD2 LEU 21 3.577 9.550 7.178 126 HD23 LEU 21 2HD2 LEU 21 1.910 10.123 7.227 127 H GLY 22 H GLY 22 3.820 8.090 1.836 128 HA2 GLY 22 2HA GLY 22 5.326 8.291 -0.208 129 HA3 GLY 22 3HA GLY 22 6.628 8.341 0.967 130 H LEU 23 H LEU 23 3.751 6.280 1.152 131 HA LEU 23 HA LEU 23 5.480 3.934 1.291 132 HB2 LEU 23 2HB LEU 23 2.566 4.432 1.866 133 HB3 LEU 23 3HB LEU 23 3.156 2.801 1.667 134 HG LEU 23 HG LEU 23 2.928 3.385 4.020 135 HD11 LEU 23 1HD1 LEU 23 4.960 2.545 4.818 136 HD12 LEU 23 2HD1 LEU 23 5.867 3.207 3.461 137 HD13 LEU 23 3HD1 LEU 23 4.767 1.855 3.206 138 HD21 LEU 23 3HD2 LEU 23 4.817 5.617 3.359 139 HD22 LEU 23 1HD2 LEU 23 4.593 5.017 5.002 140 HD23 LEU 23 2HD2 LEU 23 3.228 5.700 4.121 141 H THR 24 H THR 24 5.076 2.022 0.075 142 HA THR 24 HA THR 24 3.523 2.269 -2.385 143 HB THR 24 HB THR 24 5.727 3.000 -3.102 144 HG1 THR 24 HG1 THR 24 4.559 1.593 -4.513 145 HG21 THR 24 3HG2 THR 24 7.686 1.432 -2.996 146 HG22 THR 24 1HG2 THR 24 6.755 0.436 -1.875 147 HG23 THR 24 2HG2 THR 24 7.193 2.087 -1.435 148 H CYS 25 H CYS 25 2.426 0.441 -2.826 149 HA CYS 25 HA CYS 25 2.825 -1.871 -1.121 150 HB2 CYS 25 2HB CYS 25 0.637 -0.735 -2.603 151 HB3 CYS 25 3HB CYS 25 0.832 -2.429 -3.032 152 H ILE 26 H ILE 26 3.966 -3.600 -1.637 153 HA ILE 26 HA ILE 26 4.552 -4.132 -4.473 154 HB ILE 26 HB ILE 26 6.448 -4.615 -2.164 155 HG12 ILE 26 2HG1 ILE 26 6.186 -2.201 -2.545 156 HG13 ILE 26 3HG1 ILE 26 7.790 -2.737 -3.002 157 HG21 ILE 26 1HG2 ILE 26 8.115 -5.199 -3.763 158 HG22 ILE 26 2HG2 ILE 26 7.065 -4.754 -5.110 159 HG23 ILE 26 3HG2 ILE 26 6.673 -6.155 -4.114 160 HD11 ILE 26 3HD1 ILE 26 5.518 -2.061 -4.872 161 HD12 ILE 26 1HD1 ILE 26 7.092 -2.677 -5.378 162 HD13 ILE 26 2HD1 ILE 26 6.974 -1.106 -4.585 163 HA PRO 27 HA PRO 27 4.603 -5.534 -5.987 164 HB2 PRO 27 2HB PRO 27 2.773 -6.980 -7.351 165 HB3 PRO 27 3HB PRO 27 4.355 -7.629 -6.886 166 HG2 PRO 27 2HG PRO 27 1.701 -8.055 -5.605 167 HG3 PRO 27 3HG PRO 27 2.998 -9.225 -5.925 168 HD2 PRO 27 2HD PRO 27 2.589 -8.095 -3.483 169 HD3 PRO 27 3HD PRO 27 4.182 -8.624 -4.056 170 H GLY 28 H GLY 28 1.466 -5.974 -4.438 171 HA2 GLY 28 2HA GLY 28 -0.034 -4.172 -4.055 172 HA3 GLY 28 3HA GLY 28 0.611 -3.362 -5.473 173 H ASN 29 H ASN 29 0.368 -5.984 -7.005 174 HA ASN 29 HA ASN 29 -2.544 -5.825 -7.466 175 HB2 ASN 29 2HB ASN 29 -0.284 -6.355 -9.405 176 HB3 ASN 29 3HB ASN 29 -1.976 -6.622 -9.807 177 HD21 ASN 29 1HD2 ASN 29 -3.348 -4.857 -10.039 178 HD22 ASN 29 2HD2 ASN 29 -2.747 -3.251 -10.253 179 HA PRO 30 HA PRO 30 -4.409 -6.857 -7.245 180 HB2 PRO 30 2HB PRO 30 -5.696 -8.184 -5.243 181 HB3 PRO 30 3HB PRO 30 -5.761 -8.697 -6.940 182 HG2 PRO 30 2HG PRO 30 -4.094 -9.765 -4.715 183 HG3 PRO 30 3HG PRO 30 -4.965 -10.636 -5.993 184 HD2 PRO 30 2HD PRO 30 -2.300 -10.195 -6.097 185 HD3 PRO 30 3HD PRO 30 -3.314 -10.282 -7.548 186 H ASP 31 H ASP 31 -2.304 -7.881 -4.640 187 HA ASP 31 HA ASP 31 -2.401 -5.249 -3.443 188 HB2 ASP 31 2HB ASP 31 -2.786 -6.173 -1.123 189 HB3 ASP 31 3HB ASP 31 -4.201 -6.183 -2.166 190 H GLY 32 H GLY 32 -0.652 -4.804 -2.055 191 HA2 GLY 32 2HA GLY 32 1.440 -6.861 -1.868 192 HA3 GLY 32 3HA GLY 32 1.825 -5.323 -2.623 193 H THR 33 H THR 33 3.479 -5.406 -0.845 194 HA THR 33 HA THR 33 2.419 -4.622 1.766 195 HB THR 33 HB THR 33 5.038 -4.673 2.239 196 HG1 THR 33 HG1 THR 33 5.101 -5.414 -0.189 197 HG21 THR 33 3HG2 THR 33 3.296 -7.127 2.036 198 HG22 THR 33 1HG2 THR 33 3.367 -6.012 3.401 199 HG23 THR 33 2HG2 THR 33 4.773 -6.994 2.989 200 H CYS 34 H CYS 34 2.618 -2.672 2.614 201 HA CYS 34 HA CYS 34 3.425 -0.496 0.906 202 HB2 CYS 34 2HB CYS 34 2.232 -0.625 3.673 203 HB3 CYS 34 3HB CYS 34 2.691 0.895 2.915 204 H TYR 35 H TYR 35 5.476 -0.095 0.673 205 HA TYR 35 HA TYR 35 7.257 -0.088 3.017 206 HB2 TYR 35 2HB TYR 35 7.780 -0.658 0.108 207 HB3 TYR 35 3HB TYR 35 9.085 -0.194 1.194 208 HD1 TYR 35 HD1 TYR 35 9.397 -1.621 3.320 209 HD2 TYR 35 HD2 TYR 35 7.136 -2.901 -0.057 210 HE1 TYR 35 HE1 TYR 35 9.624 -3.946 4.058 211 HE2 TYR 35 HE2 TYR 35 7.355 -5.232 0.681 212 HH TYR 35 HH TYR 35 8.854 -6.593 2.075 213 H TYR 36 H TYR 36 8.670 1.633 3.333 214 HA TYR 36 HA TYR 36 7.695 4.176 2.378 215 HB2 TYR 36 2HB TYR 36 9.465 3.242 4.511 216 HB3 TYR 36 3HB TYR 36 10.032 4.722 3.746 217 HD1 TYR 36 HD1 TYR 36 8.297 6.651 3.529 218 HD2 TYR 36 HD2 TYR 36 7.837 3.349 6.175 219 HE1 TYR 36 HE1 TYR 36 6.715 7.959 4.878 220 HE2 TYR 36 HE2 TYR 36 6.248 4.648 7.527 221 HH TYR 36 HH TYR 36 5.705 7.005 7.971 222 H LEU 37 H LEU 37 8.450 5.385 0.787 223 HA LEU 37 HA LEU 37 10.573 4.389 -0.888 224 HB2 LEU 37 2HB LEU 37 8.751 6.779 -1.139 225 HB3 LEU 37 3HB LEU 37 9.974 6.369 -2.325 226 HG LEU 37 HG LEU 37 7.916 4.319 -1.610 227 HD11 LEU 37 1HD1 LEU 37 7.473 6.634 -3.489 228 HD12 LEU 37 2HD1 LEU 37 6.606 6.325 -1.983 229 HD13 LEU 37 3HD1 LEU 37 6.431 5.218 -3.346 230 HD21 LEU 37 3HD2 LEU 37 8.238 3.678 -3.950 231 HD22 LEU 37 1HD2 LEU 37 9.771 3.705 -3.078 232 HD23 LEU 37 2HD2 LEU 37 9.353 5.026 -4.169 Start of MODEL 11 1 H1 PCA 1 H1 PCA 1 -10.266 7.008 4.196 2 HA PCA 1 HA PCA 1 -10.428 4.651 3.905 3 HB2 PCA 1 3HB PCA 1 -12.617 4.588 2.923 4 HB3 PCA 1 2HB PCA 1 -11.712 4.341 1.380 5 HG2 PCA 1 3HG PCA 1 -13.694 5.945 2.922 6 HG3 PCA 1 2HG PCA 1 -13.003 6.457 1.361 7 H GLY 2 H GLY 2 -8.800 3.457 3.039 8 HA2 GLY 2 2HA GLY 2 -7.409 2.689 1.267 9 HA3 GLY 2 3HA GLY 2 -7.612 4.239 0.468 10 H CYS 3 H CYS 3 -6.529 3.207 3.702 11 HA CYS 3 HA CYS 3 -3.948 4.519 3.236 12 HB2 CYS 3 2HB CYS 3 -5.773 5.892 4.606 13 HB3 CYS 3 3HB CYS 3 -5.214 4.867 5.921 14 H ALA 4 H ALA 4 -2.495 2.967 3.466 15 HA ALA 4 HA ALA 4 -2.845 0.988 5.622 16 HB1 ALA 4 3HB ALA 4 -2.844 0.286 3.101 17 HB2 ALA 4 1HB ALA 4 -1.986 -0.683 4.300 18 HB3 ALA 4 2HB ALA 4 -1.095 0.437 3.273 19 H PHE 5 H PHE 5 -1.028 0.390 6.839 20 HA PHE 5 HA PHE 5 1.054 2.436 6.991 21 HB2 PHE 5 2HB PHE 5 -0.376 1.439 8.970 22 HB3 PHE 5 3HB PHE 5 0.819 0.149 8.921 23 HD1 PHE 5 HD1 PHE 5 0.313 3.750 9.514 24 HD2 PHE 5 HD2 PHE 5 3.022 0.476 9.753 25 HE1 PHE 5 HE1 PHE 5 1.823 5.106 10.903 26 HE2 PHE 5 HE2 PHE 5 4.538 1.827 11.141 27 HZ PHE 5 HZ PHE 5 3.939 4.145 11.719 28 H GLU 6 H GLU 6 3.324 1.596 7.596 29 HA GLU 6 HA GLU 6 4.352 0.056 5.469 30 HB2 GLU 6 2HB GLU 6 5.559 1.804 6.892 31 HB3 GLU 6 3HB GLU 6 5.796 0.530 8.074 32 HG2 GLU 6 2HG GLU 6 6.941 -0.787 6.262 33 HG3 GLU 6 3HG GLU 6 6.867 0.664 5.265 34 H GLY 7 H GLY 7 4.926 -2.018 5.256 35 HA2 GLY 7 2HA GLY 7 5.318 -4.248 5.825 36 HA3 GLY 7 3HA GLY 7 4.953 -3.860 7.499 37 H GLU 8 H GLU 8 2.447 -2.564 5.918 38 HA GLU 8 HA GLU 8 0.733 -4.880 6.400 39 HB2 GLU 8 2HB GLU 8 0.350 -2.427 7.244 40 HB3 GLU 8 3HB GLU 8 -0.272 -2.157 5.623 41 HG2 GLU 8 2HG GLU 8 -1.947 -3.880 5.952 42 HG3 GLU 8 3HG GLU 8 -1.302 -4.224 7.556 43 H SER 9 H SER 9 -0.936 -5.461 4.866 44 HA SER 9 HA SER 9 0.013 -5.260 2.108 45 HB2 SER 9 2HB SER 9 -2.028 -7.119 3.353 46 HB3 SER 9 3HB SER 9 -1.495 -7.173 1.672 47 HG SER 9 HG SER 9 -0.108 -7.857 4.010 48 H CYS 10 H CYS 10 -0.844 -3.780 0.840 49 HA CYS 10 HA CYS 10 -3.680 -3.060 1.195 50 HB2 CYS 10 2HB CYS 10 -3.240 -0.818 0.813 51 HB3 CYS 10 3HB CYS 10 -1.797 -1.305 1.693 52 H ASN 11 H ASN 11 -4.864 -2.532 -0.713 53 HA ASN 11 HA ASN 11 -3.926 -3.972 -3.084 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.008 -2.495 55 HB3 ASN 11 3HB ASN 11 -6.235 -4.115 -3.769 56 HD21 ASN 11 1HD2 ASN 11 -6.460 -3.728 -0.286 57 HD22 ASN 11 2HD2 ASN 11 -6.621 -5.410 0.079 58 H VAL 12 H VAL 12 -3.718 -2.983 -5.047 59 HA VAL 12 HA VAL 12 -3.751 -0.067 -4.974 60 HB VAL 12 HB VAL 12 -2.473 -0.114 -7.064 61 HG11 VAL 12 1HG1 VAL 12 -1.230 -0.156 -5.001 62 HG12 VAL 12 2HG1 VAL 12 -0.414 -1.171 -6.192 63 HG13 VAL 12 3HG1 VAL 12 -1.373 -1.912 -4.910 64 HG21 VAL 12 3HG2 VAL 12 -3.534 -2.272 -7.894 65 HG22 VAL 12 1HG2 VAL 12 -2.366 -3.115 -6.876 66 HG23 VAL 12 2HG2 VAL 12 -1.804 -2.079 -8.189 67 H GLU 13 H GLU 13 -6.177 -1.836 -5.236 68 HA GLU 13 HA GLU 13 -7.218 -0.853 -7.809 69 HB2 GLU 13 2HB GLU 13 -8.109 -3.200 -6.127 70 HB3 GLU 13 3HB GLU 13 -8.869 -2.693 -7.625 71 HG2 GLU 13 2HG GLU 13 -5.969 -3.455 -7.546 72 HG3 GLU 13 3HG GLU 13 -7.236 -4.678 -7.651 73 H PHE 14 H PHE 14 -7.733 -0.967 -4.342 74 HA PHE 14 HA PHE 14 -9.813 1.059 -4.549 75 HB2 PHE 14 2HB PHE 14 -11.223 -0.323 -2.848 76 HB3 PHE 14 3HB PHE 14 -11.292 -0.748 -4.552 77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.768 -5.384 78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.797 -1.247 79 HE1 PHE 14 HE2 PHE 14 -9.507 -5.056 -4.860 80 HE2 PHE 14 HE1 PHE 14 -9.465 -4.081 -0.712 81 HZ PHE 14 HZ PHE 14 -9.107 -5.700 -2.525 82 H TYR 15 H TYR 15 -7.918 -0.989 -2.327 83 HA TYR 15 HA TYR 15 -7.820 1.271 -0.436 84 HB2 TYR 15 2HB TYR 15 -8.952 -0.934 0.285 85 HB3 TYR 15 3HB TYR 15 -7.327 -1.594 0.340 86 HD1 TYR 15 HD1 TYR 15 -5.668 -0.650 1.991 87 HD2 TYR 15 HD2 TYR 15 -9.779 0.469 2.014 88 HE1 TYR 15 HE1 TYR 15 -5.415 0.214 4.275 89 HE2 TYR 15 HE2 TYR 15 -9.530 1.340 4.299 90 HH TYR 15 HH TYR 15 -8.058 1.023 6.241 91 HA PRO 16 HA PRO 16 -3.439 0.587 -1.979 92 HB2 PRO 16 2HB PRO 16 -2.865 3.201 -2.477 93 HB3 PRO 16 3HB PRO 16 -3.698 2.170 -3.656 94 HG2 PRO 16 2HG PRO 16 -4.845 4.179 -1.773 95 HG3 PRO 16 3HG PRO 16 -5.232 3.886 -3.480 96 HD2 PRO 16 2HD PRO 16 -6.762 2.938 -1.454 97 HD3 PRO 16 3HD PRO 16 -6.592 2.102 -3.006 98 H CYS 17 H CYS 17 -1.422 2.157 -1.255 99 HA CYS 17 HA CYS 17 -1.272 1.910 1.574 100 HB2 CYS 17 2HB CYS 17 0.581 3.174 -0.454 101 HB3 CYS 17 3HB CYS 17 0.959 3.059 1.257 102 H CYS 18 H CYS 18 -0.083 4.016 2.699 103 HA CYS 18 HA CYS 18 -2.169 6.013 2.790 104 HB2 CYS 18 2HB CYS 18 0.223 5.383 4.477 105 HB3 CYS 18 3HB CYS 18 -0.552 6.957 4.620 106 HA PRO 19 HA PRO 19 0.192 8.673 0.011 107 HB2 PRO 19 2HB PRO 19 -1.717 10.560 -0.358 108 HB3 PRO 19 3HB PRO 19 -1.789 8.971 -1.140 109 HG2 PRO 19 2HG PRO 19 -3.298 9.987 1.204 110 HG3 PRO 19 3HG PRO 19 -3.813 8.884 -0.085 111 HD2 PRO 19 2HD PRO 19 -3.028 8.101 2.455 112 HD3 PRO 19 3HD PRO 19 -3.065 7.051 1.026 113 H GLY 20 H GLY 20 1.134 10.769 0.037 114 HA2 GLY 20 2HA GLY 20 1.650 12.871 0.975 115 HA3 GLY 20 3HA GLY 20 0.730 12.436 2.406 116 H LEU 21 H LEU 21 2.060 9.847 2.717 117 HA LEU 21 HA LEU 21 4.397 10.761 4.153 118 HB2 LEU 21 2HB LEU 21 3.376 7.935 3.904 119 HB3 LEU 21 3HB LEU 21 4.450 8.563 5.129 120 HG LEU 21 HG LEU 21 1.584 9.472 4.849 121 HD11 LEU 21 1HD1 LEU 21 1.011 7.921 6.613 122 HD12 LEU 21 2HD1 LEU 21 2.670 7.322 6.660 123 HD13 LEU 21 3HD1 LEU 21 1.674 7.049 5.231 124 HD21 LEU 21 3HD2 LEU 21 1.878 10.179 7.182 125 HD22 LEU 21 1HD2 LEU 21 3.029 10.980 6.113 126 HD23 LEU 21 2HD2 LEU 21 3.557 9.642 7.133 127 H GLY 22 H GLY 22 3.828 8.092 1.825 128 HA2 GLY 22 2HA GLY 22 5.357 8.295 -0.211 129 HA3 GLY 22 3HA GLY 22 6.643 8.340 0.981 130 H LEU 23 H LEU 23 3.759 6.291 1.149 131 HA LEU 23 HA LEU 23 5.479 3.939 1.293 132 HB2 LEU 23 2HB LEU 23 2.565 4.442 1.862 133 HB3 LEU 23 3HB LEU 23 3.156 2.810 1.670 134 HG LEU 23 HG LEU 23 2.923 3.405 4.021 135 HD11 LEU 23 1HD1 LEU 23 5.863 3.220 3.464 136 HD12 LEU 23 2HD1 LEU 23 4.758 1.868 3.221 137 HD13 LEU 23 3HD1 LEU 23 4.954 2.569 4.826 138 HD21 LEU 23 3HD2 LEU 23 4.826 5.626 3.362 139 HD22 LEU 23 1HD2 LEU 23 4.573 5.040 5.007 140 HD23 LEU 23 2HD2 LEU 23 3.227 5.725 4.099 141 H THR 24 H THR 24 5.076 2.031 0.077 142 HA THR 24 HA THR 24 3.521 2.277 -2.382 143 HB THR 24 HB THR 24 5.724 3.008 -3.101 144 HG1 THR 24 HG1 THR 24 5.163 0.335 -3.908 145 HG21 THR 24 3HG2 THR 24 7.682 1.434 -2.997 146 HG22 THR 24 1HG2 THR 24 6.751 0.448 -1.866 147 HG23 THR 24 2HG2 THR 24 7.195 2.101 -1.438 148 H CYS 25 H CYS 25 2.427 0.447 -2.827 149 HA CYS 25 HA CYS 25 2.826 -1.864 -1.119 150 HB2 CYS 25 2HB CYS 25 0.638 -0.728 -2.601 151 HB3 CYS 25 3HB CYS 25 0.833 -2.422 -3.032 152 H ILE 26 H ILE 26 3.971 -3.591 -1.635 153 HA ILE 26 HA ILE 26 4.558 -4.122 -4.472 154 HB ILE 26 HB ILE 26 6.453 -4.601 -2.163 155 HG12 ILE 26 2HG1 ILE 26 6.187 -2.188 -2.541 156 HG13 ILE 26 3HG1 ILE 26 7.792 -2.720 -3.000 157 HG21 ILE 26 1HG2 ILE 26 8.120 -5.189 -3.755 158 HG22 ILE 26 2HG2 ILE 26 7.079 -4.731 -5.105 159 HG23 ILE 26 3HG2 ILE 26 6.676 -6.138 -4.121 160 HD11 ILE 26 3HD1 ILE 26 7.091 -2.659 -5.375 161 HD12 ILE 26 1HD1 ILE 26 6.969 -1.089 -4.579 162 HD13 ILE 26 2HD1 ILE 26 5.518 -2.048 -4.867 163 HA PRO 27 HA PRO 27 4.612 -5.523 -5.986 164 HB2 PRO 27 2HB PRO 27 2.783 -6.970 -7.350 165 HB3 PRO 27 3HB PRO 27 4.365 -7.617 -6.887 166 HG2 PRO 27 2HG PRO 27 1.713 -8.049 -5.604 167 HG3 PRO 27 3HG PRO 27 3.011 -9.216 -5.925 168 HD2 PRO 27 2HD PRO 27 2.602 -8.089 -3.483 169 HD3 PRO 27 3HD PRO 27 4.196 -8.614 -4.057 170 H GLY 28 H GLY 28 1.473 -5.970 -4.440 171 HA2 GLY 28 2HA GLY 28 -0.028 -4.167 -4.056 172 HA3 GLY 28 3HA GLY 28 0.617 -3.357 -5.476 173 H ASN 29 H ASN 29 0.375 -5.980 -7.007 174 HA ASN 29 HA ASN 29 -2.537 -5.821 -7.467 175 HB2 ASN 29 2HB ASN 29 -0.278 -6.352 -9.407 176 HB3 ASN 29 3HB ASN 29 -1.971 -6.614 -9.810 177 HD21 ASN 29 1HD2 ASN 29 -3.339 -4.846 -10.040 178 HD22 ASN 29 2HD2 ASN 29 -2.734 -3.242 -10.253 179 HA PRO 30 HA PRO 30 -4.403 -6.852 -7.250 180 HB2 PRO 30 2HB PRO 30 -5.692 -8.180 -5.250 181 HB3 PRO 30 3HB PRO 30 -5.755 -8.693 -6.946 182 HG2 PRO 30 2HG PRO 30 -4.091 -9.761 -4.719 183 HG3 PRO 30 3HG PRO 30 -4.960 -10.632 -5.998 184 HD2 PRO 30 2HD PRO 30 -2.294 -10.190 -6.098 185 HD3 PRO 30 3HD PRO 30 -3.306 -10.278 -7.552 186 H ASP 31 H ASP 31 -2.299 -7.876 -4.643 187 HA ASP 31 HA ASP 31 -2.400 -5.245 -3.445 188 HB2 ASP 31 2HB ASP 31 -2.783 -6.169 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.197 -6.182 -2.169 190 H GLY 32 H GLY 32 -0.650 -4.798 -2.060 191 HA2 GLY 32 2HA GLY 32 1.446 -6.852 -1.876 192 HA3 GLY 32 3HA GLY 32 1.827 -5.310 -2.627 193 H THR 33 H THR 33 3.482 -5.396 -0.849 194 HA THR 33 HA THR 33 2.420 -4.618 1.763 195 HB THR 33 HB THR 33 5.039 -4.670 2.237 196 HG1 THR 33 HG1 THR 33 5.212 -6.870 0.681 197 HG21 THR 33 3HG2 THR 33 4.774 -6.992 2.984 198 HG22 THR 33 1HG2 THR 33 3.296 -7.123 2.030 199 HG23 THR 33 2HG2 THR 33 3.368 -6.010 3.396 200 H CYS 34 H CYS 34 2.619 -2.671 2.616 201 HA CYS 34 HA CYS 34 3.426 -0.491 0.913 202 HB2 CYS 34 2HB CYS 34 2.233 -0.624 3.681 203 HB3 CYS 34 3HB CYS 34 2.691 0.897 2.922 204 H TYR 35 H TYR 35 5.477 -0.087 0.682 205 HA TYR 35 HA TYR 35 7.257 -0.087 3.026 206 HB2 TYR 35 2HB TYR 35 7.781 -0.647 0.115 207 HB3 TYR 35 3HB TYR 35 9.086 -0.184 1.201 208 HD1 TYR 35 HD2 TYR 35 9.406 -1.620 3.319 209 HD2 TYR 35 HD1 TYR 35 7.133 -2.889 -0.051 210 HE1 TYR 35 HE2 TYR 35 9.636 -3.947 4.050 211 HE2 TYR 35 HE1 TYR 35 7.355 -5.224 0.677 212 HH TYR 35 HH TYR 35 8.863 -6.588 2.063 213 H TYR 36 H TYR 36 8.679 1.632 3.339 214 HA TYR 36 HA TYR 36 7.699 4.178 2.394 215 HB2 TYR 36 2HB TYR 36 9.478 3.241 4.522 216 HB3 TYR 36 3HB TYR 36 10.028 4.731 3.764 217 HD1 TYR 36 HD2 TYR 36 8.274 6.643 3.564 218 HD2 TYR 36 HD1 TYR 36 7.852 3.320 6.190 219 HE1 TYR 36 HE2 TYR 36 6.681 7.927 4.923 220 HE2 TYR 36 HE1 TYR 36 6.255 4.597 7.554 221 HH TYR 36 HH TYR 36 5.688 6.944 8.015 222 H LEU 37 H LEU 37 8.452 5.389 0.806 223 HA LEU 37 HA LEU 37 10.578 4.401 -0.870 224 HB2 LEU 37 2HB LEU 37 8.756 6.792 -1.117 225 HB3 LEU 37 3HB LEU 37 9.975 6.380 -2.305 226 HG LEU 37 HG LEU 37 7.921 4.328 -1.589 227 HD11 LEU 37 1HD1 LEU 37 7.464 6.649 -3.459 228 HD12 LEU 37 2HD1 LEU 37 6.609 6.338 -1.948 229 HD13 LEU 37 3HD1 LEU 37 6.424 5.232 -3.309 230 HD21 LEU 37 3HD2 LEU 37 8.232 3.700 -3.934 231 HD22 LEU 37 1HD2 LEU 37 9.769 3.725 -3.069 232 HD23 LEU 37 2HD2 LEU 37 9.344 5.050 -4.152 Start of MODEL 12 1 H1 PCA 1 H1 PCA 1 -10.399 2.479 3.331 2 HA PCA 1 HA PCA 1 -11.728 4.543 2.290 3 HB2 PCA 1 3HB PCA 1 -11.414 6.052 4.127 4 HB3 PCA 1 2HB PCA 1 -9.853 6.437 3.304 5 HG2 PCA 1 3HG PCA 1 -11.254 5.521 5.769 6 HG3 PCA 1 2HG PCA 1 -9.488 5.430 5.538 7 H GLY 2 H GLY 2 -8.406 3.585 3.046 8 HA2 GLY 2 2HA GLY 2 -7.209 2.846 0.917 9 HA3 GLY 2 3HA GLY 2 -7.508 4.492 0.388 10 H CYS 3 H CYS 3 -6.511 3.278 3.571 11 HA CYS 3 HA CYS 3 -3.893 4.554 3.232 12 HB2 CYS 3 2HB CYS 3 -5.765 5.920 4.550 13 HB3 CYS 3 3HB CYS 3 -5.246 4.882 5.872 14 H ALA 4 H ALA 4 -2.483 2.971 3.466 15 HA ALA 4 HA ALA 4 -2.878 1.010 5.631 16 HB1 ALA 4 3HB ALA 4 -1.145 0.407 3.277 17 HB2 ALA 4 1HB ALA 4 -2.897 0.269 3.126 18 HB3 ALA 4 2HB ALA 4 -2.036 -0.692 4.329 19 H PHE 5 H PHE 5 -1.063 0.392 6.853 20 HA PHE 5 HA PHE 5 1.032 2.420 6.997 21 HB2 PHE 5 2HB PHE 5 0.205 0.187 8.859 22 HB3 PHE 5 3HB PHE 5 1.618 1.196 9.145 23 HD1 PHE 5 HD2 PHE 5 -2.033 1.072 9.097 24 HD2 PHE 5 HD1 PHE 5 1.382 3.512 9.801 25 HE1 PHE 5 HE2 PHE 5 -3.458 2.737 10.217 26 HE2 PHE 5 HE1 PHE 5 -0.036 5.179 10.924 27 HZ PHE 5 HZ PHE 5 -2.459 4.793 11.132 28 H GLU 6 H GLU 6 3.301 1.576 7.609 29 HA GLU 6 HA GLU 6 4.331 0.054 5.464 30 HB2 GLU 6 2HB GLU 6 5.535 1.805 6.885 31 HB3 GLU 6 3HB GLU 6 5.780 0.532 8.068 32 HG2 GLU 6 2HG GLU 6 6.911 -0.781 6.230 33 HG3 GLU 6 3HG GLU 6 6.860 0.695 5.266 34 H GLY 7 H GLY 7 4.918 -2.019 5.249 35 HA2 GLY 7 2HA GLY 7 5.322 -4.247 5.815 36 HA3 GLY 7 3HA GLY 7 4.960 -3.863 7.490 37 H GLU 8 H GLU 8 2.445 -2.581 5.906 38 HA GLU 8 HA GLU 8 0.744 -4.905 6.395 39 HB2 GLU 8 2HB GLU 8 0.348 -2.457 7.242 40 HB3 GLU 8 3HB GLU 8 -0.271 -2.186 5.620 41 HG2 GLU 8 2HG GLU 8 -1.943 -3.915 5.943 42 HG3 GLU 8 3HG GLU 8 -1.299 -4.261 7.547 43 H SER 9 H SER 9 -0.939 -5.480 4.863 44 HA SER 9 HA SER 9 0.011 -5.284 2.103 45 HB2 SER 9 2HB SER 9 -0.411 -7.534 3.126 46 HB3 SER 9 3HB SER 9 -2.121 -7.118 3.229 47 HG SER 9 HG SER 9 -2.087 -6.864 0.935 48 H CYS 10 H CYS 10 -0.846 -3.793 0.848 49 HA CYS 10 HA CYS 10 -3.681 -3.072 1.206 50 HB2 CYS 10 2HB CYS 10 -3.236 -0.831 0.836 51 HB3 CYS 10 3HB CYS 10 -1.785 -1.323 1.698 52 H ASN 11 H ASN 11 -4.870 -2.550 -0.698 53 HA ASN 11 HA ASN 11 -3.928 -3.981 -3.074 54 HB2 ASN 11 2HB ASN 11 -6.730 -3.029 -2.480 55 HB3 ASN 11 3HB ASN 11 -6.237 -4.133 -3.756 56 HD21 ASN 11 1HD2 ASN 11 -6.448 -3.748 -0.271 57 HD22 ASN 11 2HD2 ASN 11 -6.606 -5.431 0.094 58 H VAL 12 H VAL 12 -3.728 -2.984 -5.035 59 HA VAL 12 HA VAL 12 -3.772 -0.068 -4.951 60 HB VAL 12 HB VAL 12 -2.494 -0.101 -7.042 61 HG11 VAL 12 1HG1 VAL 12 -1.383 -1.907 -4.898 62 HG12 VAL 12 2HG1 VAL 12 -1.254 -0.149 -4.972 63 HG13 VAL 12 3HG1 VAL 12 -0.430 -1.148 -6.173 64 HG21 VAL 12 3HG2 VAL 12 -2.377 -3.103 -6.863 65 HG22 VAL 12 1HG2 VAL 12 -1.812 -2.060 -8.170 66 HG23 VAL 12 2HG2 VAL 12 -3.544 -2.260 -7.882 67 H GLU 13 H GLU 13 -6.188 -1.851 -5.221 68 HA GLU 13 HA GLU 13 -7.238 -0.856 -7.786 69 HB2 GLU 13 2HB GLU 13 -8.111 -3.224 -6.123 70 HB3 GLU 13 3HB GLU 13 -8.875 -2.710 -7.616 71 HG2 GLU 13 2HG GLU 13 -5.970 -3.450 -7.546 72 HG3 GLU 13 3HG GLU 13 -7.227 -4.683 -7.658 73 H PHE 14 H PHE 14 -7.747 -0.999 -4.319 74 HA PHE 14 HA PHE 14 -9.844 1.013 -4.509 75 HB2 PHE 14 2HB PHE 14 -11.242 -0.392 -2.817 76 HB3 PHE 14 3HB PHE 14 -11.309 -0.804 -4.525 77 HD1 PHE 14 HD1 PHE 14 -10.238 -2.810 -5.375 78 HD2 PHE 14 HD2 PHE 14 -10.209 -1.872 -1.231 79 HE1 PHE 14 HE1 PHE 14 -9.491 -5.097 -4.868 80 HE2 PHE 14 HE2 PHE 14 -9.463 -4.157 -0.712 81 HZ PHE 14 HZ PHE 14 -9.088 -5.758 -2.539 82 H TYR 15 H TYR 15 -7.924 -1.036 -2.310 83 HA TYR 15 HA TYR 15 -7.850 1.208 -0.397 84 HB2 TYR 15 2HB TYR 15 -8.954 -1.016 0.304 85 HB3 TYR 15 3HB TYR 15 -7.321 -1.659 0.350 86 HD1 TYR 15 HD1 TYR 15 -5.656 -0.650 1.985 87 HD2 TYR 15 HD2 TYR 15 -9.809 0.297 2.073 88 HE1 TYR 15 HE1 TYR 15 -5.411 0.191 4.279 89 HE2 TYR 15 HE2 TYR 15 -9.569 1.145 4.367 90 HH TYR 15 HH TYR 15 -8.059 0.861 6.288 91 HA PRO 16 HA PRO 16 -3.460 0.591 -1.955 92 HB2 PRO 16 2HB PRO 16 -2.920 3.214 -2.437 93 HB3 PRO 16 3HB PRO 16 -3.748 2.183 -3.620 94 HG2 PRO 16 2HG PRO 16 -4.910 4.162 -1.713 95 HG3 PRO 16 3HG PRO 16 -5.299 3.883 -3.422 96 HD2 PRO 16 2HD PRO 16 -6.813 2.897 -1.405 97 HD3 PRO 16 3HD PRO 16 -6.634 2.076 -2.965 98 H CYS 17 H CYS 17 -1.457 2.165 -1.227 99 HA CYS 17 HA CYS 17 -1.306 1.917 1.605 100 HB2 CYS 17 2HB CYS 17 0.552 3.187 -0.417 101 HB3 CYS 17 3HB CYS 17 0.929 3.052 1.292 102 H CYS 18 H CYS 18 -0.087 4.040 2.700 103 HA CYS 18 HA CYS 18 -2.174 6.042 2.792 104 HB2 CYS 18 2HB CYS 18 0.213 5.405 4.486 105 HB3 CYS 18 3HB CYS 18 -0.566 6.979 4.629 106 HA PRO 19 HA PRO 19 0.215 8.686 0.021 107 HB2 PRO 19 2HB PRO 19 -1.679 10.586 -0.354 108 HB3 PRO 19 3HB PRO 19 -1.760 8.997 -1.135 109 HG2 PRO 19 2HG PRO 19 -3.266 10.025 1.205 110 HG3 PRO 19 3HG PRO 19 -3.789 8.929 -0.087 111 HD2 PRO 19 2HD PRO 19 -3.018 8.134 2.453 112 HD3 PRO 19 3HD PRO 19 -3.056 7.087 1.021 113 H GLY 20 H GLY 20 1.151 10.794 0.045 114 HA2 GLY 20 2HA GLY 20 1.680 12.885 0.991 115 HA3 GLY 20 3HA GLY 20 0.756 12.451 2.420 116 H LEU 21 H LEU 21 2.069 9.859 2.736 117 HA LEU 21 HA LEU 21 4.409 10.756 4.176 118 HB2 LEU 21 2HB LEU 21 3.377 7.935 3.912 119 HB3 LEU 21 3HB LEU 21 4.453 8.553 5.140 120 HG LEU 21 HG LEU 21 1.591 9.472 4.865 121 HD11 LEU 21 1HD1 LEU 21 2.674 7.307 6.661 122 HD12 LEU 21 2HD1 LEU 21 1.669 7.050 5.236 123 HD13 LEU 21 3HD1 LEU 21 1.019 7.916 6.627 124 HD21 LEU 21 3HD2 LEU 21 3.040 10.970 6.136 125 HD22 LEU 21 1HD2 LEU 21 3.565 9.626 7.149 126 HD23 LEU 21 2HD2 LEU 21 1.888 10.168 7.202 127 H GLY 22 H GLY 22 3.832 8.104 1.832 128 HA2 GLY 22 2HA GLY 22 5.363 8.305 -0.200 129 HA3 GLY 22 3HA GLY 22 6.649 8.344 0.994 130 H LEU 23 H LEU 23 3.758 6.301 1.149 131 HA LEU 23 HA LEU 23 5.472 3.947 1.294 132 HB2 LEU 23 2HB LEU 23 2.558 4.452 1.859 133 HB3 LEU 23 3HB LEU 23 3.148 2.820 1.664 134 HG LEU 23 HG LEU 23 2.913 3.410 4.017 135 HD11 LEU 23 1HD1 LEU 23 4.745 1.869 3.213 136 HD12 LEU 23 2HD1 LEU 23 4.940 2.565 4.820 137 HD13 LEU 23 3HD1 LEU 23 5.853 3.218 3.461 138 HD21 LEU 23 3HD2 LEU 23 3.225 5.727 4.110 139 HD22 LEU 23 1HD2 LEU 23 4.818 5.630 3.360 140 HD23 LEU 23 2HD2 LEU 23 4.578 5.036 5.003 141 H THR 24 H THR 24 5.069 2.042 0.077 142 HA THR 24 HA THR 24 3.518 2.287 -2.385 143 HB THR 24 HB THR 24 5.723 3.020 -3.099 144 HG1 THR 24 HG1 THR 24 6.143 0.796 -4.364 145 HG21 THR 24 3HG2 THR 24 6.747 0.454 -1.873 146 HG22 THR 24 1HG2 THR 24 7.188 2.104 -1.432 147 HG23 THR 24 2HG2 THR 24 7.681 1.447 -2.994 148 H CYS 25 H CYS 25 2.421 0.457 -2.824 149 HA CYS 25 HA CYS 25 2.825 -1.854 -1.117 150 HB2 CYS 25 2HB CYS 25 0.635 -0.720 -2.592 151 HB3 CYS 25 3HB CYS 25 0.831 -2.410 -3.032 152 H ILE 26 H ILE 26 3.970 -3.581 -1.635 153 HA ILE 26 HA ILE 26 4.554 -4.109 -4.472 154 HB ILE 26 HB ILE 26 6.455 -4.592 -2.169 155 HG12 ILE 26 2HG1 ILE 26 6.188 -2.179 -2.532 156 HG13 ILE 26 3HG1 ILE 26 7.790 -2.706 -3.007 157 HG21 ILE 26 1HG2 ILE 26 6.688 -6.126 -4.117 158 HG22 ILE 26 2HG2 ILE 26 8.122 -5.154 -3.780 159 HG23 ILE 26 3HG2 ILE 26 7.057 -4.720 -5.119 160 HD11 ILE 26 3HD1 ILE 26 6.961 -1.070 -4.573 161 HD12 ILE 26 1HD1 ILE 26 5.499 -2.019 -4.848 162 HD13 ILE 26 2HD1 ILE 26 7.063 -2.636 -5.377 163 HA PRO 27 HA PRO 27 4.610 -5.508 -5.988 164 HB2 PRO 27 2HB PRO 27 2.780 -6.955 -7.353 165 HB3 PRO 27 3HB PRO 27 4.366 -7.601 -6.893 166 HG2 PRO 27 2HG PRO 27 1.715 -8.039 -5.608 167 HG3 PRO 27 3HG PRO 27 3.015 -9.203 -5.932 168 HD2 PRO 27 2HD PRO 27 2.606 -8.080 -3.488 169 HD3 PRO 27 3HD PRO 27 4.200 -8.602 -4.064 170 H GLY 28 H GLY 28 1.474 -5.957 -4.438 171 HA2 GLY 28 2HA GLY 28 -0.030 -4.158 -4.051 172 HA3 GLY 28 3HA GLY 28 0.614 -3.345 -5.469 173 H ASN 29 H ASN 29 0.376 -5.960 -7.009 174 HA ASN 29 HA ASN 29 -2.538 -5.810 -7.464 175 HB2 ASN 29 2HB ASN 29 -0.279 -6.325 -9.410 176 HB3 ASN 29 3HB ASN 29 -1.971 -6.592 -9.811 177 HD21 ASN 29 1HD2 ASN 29 0.477 -4.230 -9.123 178 HD22 ASN 29 2HD2 ASN 29 -0.405 -2.855 -9.682 179 HA PRO 30 HA PRO 30 -4.401 -6.848 -7.252 180 HB2 PRO 30 2HB PRO 30 -5.683 -8.189 -5.255 181 HB3 PRO 30 3HB PRO 30 -5.747 -8.694 -6.955 182 HG2 PRO 30 2HG PRO 30 -4.076 -9.764 -4.732 183 HG3 PRO 30 3HG PRO 30 -4.944 -10.635 -6.013 184 HD2 PRO 30 2HD PRO 30 -2.280 -10.183 -6.116 185 HD3 PRO 30 3HD PRO 30 -3.294 -10.268 -7.568 186 H ASP 31 H ASP 31 -2.293 -7.873 -4.650 187 HA ASP 31 HA ASP 31 -2.400 -5.246 -3.445 188 HB2 ASP 31 2HB ASP 31 -2.778 -6.180 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.193 -6.190 -2.169 190 H GLY 32 H GLY 32 -0.651 -4.800 -2.057 191 HA2 GLY 32 2HA GLY 32 1.449 -6.849 -1.878 192 HA3 GLY 32 3HA GLY 32 1.827 -5.306 -2.629 193 H THR 33 H THR 33 3.483 -5.387 -0.853 194 HA THR 33 HA THR 33 2.422 -4.614 1.761 195 HB THR 33 HB THR 33 5.043 -4.661 2.230 196 HG1 THR 33 HG1 THR 33 5.031 -6.848 0.535 197 HG21 THR 33 3HG2 THR 33 4.778 -6.981 2.987 198 HG22 THR 33 1HG2 THR 33 3.298 -7.115 2.036 199 HG23 THR 33 2HG2 THR 33 3.373 -5.996 3.398 200 H CYS 34 H CYS 34 2.614 -2.666 2.612 201 HA CYS 34 HA CYS 34 3.420 -0.484 0.910 202 HB2 CYS 34 2HB CYS 34 2.236 -0.612 3.684 203 HB3 CYS 34 3HB CYS 34 2.681 0.905 2.913 204 H TYR 35 H TYR 35 5.471 -0.083 0.678 205 HA TYR 35 HA TYR 35 7.254 -0.086 3.020 206 HB2 TYR 35 2HB TYR 35 7.773 -0.643 0.108 207 HB3 TYR 35 3HB TYR 35 9.080 -0.181 1.192 208 HD1 TYR 35 HD2 TYR 35 9.404 -1.618 3.308 209 HD2 TYR 35 HD1 TYR 35 7.124 -2.885 -0.058 210 HE1 TYR 35 HE2 TYR 35 9.636 -3.945 4.037 211 HE2 TYR 35 HE1 TYR 35 7.347 -5.220 0.669 212 HH TYR 35 HH TYR 35 8.853 -6.586 2.049 213 H TYR 36 H TYR 36 8.674 1.633 3.336 214 HA TYR 36 HA TYR 36 7.694 4.179 2.397 215 HB2 TYR 36 2HB TYR 36 9.479 3.239 4.518 216 HB3 TYR 36 3HB TYR 36 10.025 4.731 3.762 217 HD1 TYR 36 HD2 TYR 36 8.273 6.643 3.573 218 HD2 TYR 36 HD1 TYR 36 7.850 3.308 6.184 219 HE1 TYR 36 HE2 TYR 36 6.681 7.921 4.939 220 HE2 TYR 36 HE1 TYR 36 6.254 4.579 7.555 221 HH TYR 36 HH TYR 36 4.844 7.480 6.527 222 H LEU 37 H LEU 37 8.447 5.399 0.814 223 HA LEU 37 HA LEU 37 10.569 4.414 -0.871 224 HB2 LEU 37 2HB LEU 37 8.744 6.803 -1.109 225 HB3 LEU 37 3HB LEU 37 9.962 6.395 -2.300 226 HG LEU 37 HG LEU 37 7.912 4.339 -1.583 227 HD11 LEU 37 1HD1 LEU 37 6.597 6.351 -1.936 228 HD12 LEU 37 2HD1 LEU 37 6.409 5.244 -3.297 229 HD13 LEU 37 3HD1 LEU 37 7.447 6.661 -3.451 230 HD21 LEU 37 3HD2 LEU 37 9.324 5.069 -4.151 231 HD22 LEU 37 1HD2 LEU 37 8.220 3.712 -3.928 232 HD23 LEU 37 2HD2 LEU 37 9.761 3.746 -3.071 Start of MODEL 13 1 H1 PCA 1 H1 PCA 1 -10.383 7.069 3.238 2 HA PCA 1 HA PCA 1 -10.434 4.492 3.916 3 HB2 PCA 1 3HB PCA 1 -12.614 4.003 3.036 4 HB3 PCA 1 2HB PCA 1 -11.724 3.738 1.486 5 HG2 PCA 1 3HG PCA 1 -13.884 5.178 2.949 6 HG3 PCA 1 2HG PCA 1 -13.321 5.625 1.318 7 H GLY 2 H GLY 2 -8.683 3.443 3.079 8 HA2 GLY 2 2HA GLY 2 -7.359 2.730 1.175 9 HA3 GLY 2 3HA GLY 2 -7.618 4.316 0.469 10 H CYS 3 H CYS 3 -6.509 3.188 3.662 11 HA CYS 3 HA CYS 3 -3.937 4.525 3.232 12 HB2 CYS 3 2HB CYS 3 -5.777 5.890 4.594 13 HB3 CYS 3 3HB CYS 3 -5.223 4.864 5.909 14 H ALA 4 H ALA 4 -2.490 2.968 3.459 15 HA ALA 4 HA ALA 4 -2.846 0.986 5.611 16 HB1 ALA 4 3HB ALA 4 -1.978 -0.682 4.291 17 HB2 ALA 4 1HB ALA 4 -1.069 0.443 3.281 18 HB3 ALA 4 2HB ALA 4 -2.814 0.295 3.084 19 H PHE 5 H PHE 5 -1.021 0.366 6.820 20 HA PHE 5 HA PHE 5 1.048 2.425 7.005 21 HB2 PHE 5 2HB PHE 5 -0.386 1.418 8.971 22 HB3 PHE 5 3HB PHE 5 0.800 0.120 8.915 23 HD1 PHE 5 HD2 PHE 5 0.316 3.720 9.536 24 HD2 PHE 5 HD1 PHE 5 3.002 0.426 9.759 25 HE1 PHE 5 HE2 PHE 5 1.830 5.056 10.942 26 HE2 PHE 5 HE1 PHE 5 4.520 1.755 11.167 27 HZ PHE 5 HZ PHE 5 3.936 4.073 11.758 28 H GLU 6 H GLU 6 3.320 1.593 7.603 29 HA GLU 6 HA GLU 6 4.354 0.061 5.473 30 HB2 GLU 6 2HB GLU 6 5.555 1.810 6.895 31 HB3 GLU 6 3HB GLU 6 5.793 0.539 8.081 32 HG2 GLU 6 2HG GLU 6 6.946 -0.779 6.275 33 HG3 GLU 6 3HG GLU 6 6.870 0.669 5.274 34 H GLY 7 H GLY 7 4.925 -2.011 5.254 35 HA2 GLY 7 2HA GLY 7 5.324 -4.242 5.817 36 HA3 GLY 7 3HA GLY 7 4.963 -3.858 7.493 37 H GLU 8 H GLU 8 2.452 -2.564 5.915 38 HA GLU 8 HA GLU 8 0.743 -4.883 6.400 39 HB2 GLU 8 2HB GLU 8 0.357 -2.431 7.248 40 HB3 GLU 8 3HB GLU 8 -0.268 -2.161 5.628 41 HG2 GLU 8 2HG GLU 8 -1.942 -3.886 5.959 42 HG3 GLU 8 3HG GLU 8 -1.293 -4.232 7.561 43 H SER 9 H SER 9 -0.934 -5.461 4.870 44 HA SER 9 HA SER 9 0.013 -5.261 2.110 45 HB2 SER 9 2HB SER 9 -2.030 -7.118 3.358 46 HB3 SER 9 3HB SER 9 -1.500 -7.171 1.676 47 HG SER 9 HG SER 9 -0.268 -8.110 3.931 48 H CYS 10 H CYS 10 -0.847 -3.788 0.836 49 HA CYS 10 HA CYS 10 -3.681 -3.062 1.195 50 HB2 CYS 10 2HB CYS 10 -3.239 -0.822 0.816 51 HB3 CYS 10 3HB CYS 10 -1.796 -1.308 1.693 52 H ASN 11 H ASN 11 -4.865 -2.532 -0.712 53 HA ASN 11 HA ASN 11 -3.927 -3.972 -3.084 54 HB2 ASN 11 2HB ASN 11 -6.725 -3.007 -2.495 55 HB3 ASN 11 3HB ASN 11 -6.237 -4.115 -3.768 56 HD21 ASN 11 1HD2 ASN 11 -6.462 -3.724 -0.286 57 HD22 ASN 11 2HD2 ASN 11 -6.625 -5.405 0.082 58 H VAL 12 H VAL 12 -3.719 -2.982 -5.046 59 HA VAL 12 HA VAL 12 -3.752 -0.066 -4.970 60 HB VAL 12 HB VAL 12 -2.473 -0.110 -7.060 61 HG11 VAL 12 1HG1 VAL 12 -1.236 -0.157 -4.989 62 HG12 VAL 12 2HG1 VAL 12 -0.413 -1.159 -6.187 63 HG13 VAL 12 3HG1 VAL 12 -1.370 -1.915 -4.912 64 HG21 VAL 12 3HG2 VAL 12 -1.799 -2.073 -8.184 65 HG22 VAL 12 1HG2 VAL 12 -3.531 -2.265 -7.896 66 HG23 VAL 12 2HG2 VAL 12 -2.368 -3.111 -6.876 67 H GLU 13 H GLU 13 -6.177 -1.837 -5.237 68 HA GLU 13 HA GLU 13 -7.217 -0.848 -7.809 69 HB2 GLU 13 2HB GLU 13 -8.107 -3.201 -6.136 70 HB3 GLU 13 3HB GLU 13 -8.866 -2.690 -7.633 71 HG2 GLU 13 2HG GLU 13 -5.965 -3.450 -7.552 72 HG3 GLU 13 3HG GLU 13 -7.231 -4.674 -7.661 73 H PHE 14 H PHE 14 -7.736 -0.975 -4.342 74 HA PHE 14 HA PHE 14 -9.819 1.050 -4.546 75 HB2 PHE 14 2HB PHE 14 -11.228 -0.338 -2.849 76 HB3 PHE 14 3HB PHE 14 -11.295 -0.759 -4.555 77 HD1 PHE 14 HD2 PHE 14 -10.236 -2.775 -5.392 78 HD2 PHE 14 HD1 PHE 14 -10.203 -1.815 -1.253 79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.064 -4.874 80 HE2 PHE 14 HE1 PHE 14 -9.465 -4.100 -0.723 81 HZ PHE 14 HZ PHE 14 -9.104 -5.714 -2.540 82 H TYR 15 H TYR 15 -7.920 -0.999 -2.329 83 HA TYR 15 HA TYR 15 -7.832 1.254 -0.430 84 HB2 TYR 15 2HB TYR 15 -8.954 -0.957 0.283 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.613 0.333 86 HD1 TYR 15 HD1 TYR 15 -5.662 -0.649 1.976 87 HD2 TYR 15 HD2 TYR 15 -9.787 0.412 2.029 88 HE1 TYR 15 HE1 TYR 15 -5.408 0.203 4.265 89 HE2 TYR 15 HE2 TYR 15 -9.538 1.272 4.319 90 HH TYR 15 HH TYR 15 -6.518 1.797 5.770 91 HA PRO 16 HA PRO 16 -3.446 0.595 -1.976 92 HB2 PRO 16 2HB PRO 16 -2.885 3.213 -2.466 93 HB3 PRO 16 3HB PRO 16 -3.715 2.183 -3.648 94 HG2 PRO 16 2HG PRO 16 -4.869 4.180 -1.756 95 HG3 PRO 16 3HG PRO 16 -5.256 3.893 -3.465 96 HD2 PRO 16 2HD PRO 16 -6.782 2.930 -1.443 97 HD3 PRO 16 3HD PRO 16 -6.606 2.100 -2.998 98 H CYS 17 H CYS 17 -1.434 2.162 -1.247 99 HA CYS 17 HA CYS 17 -1.286 1.915 1.583 100 HB2 CYS 17 2HB CYS 17 0.570 3.188 -0.440 101 HB3 CYS 17 3HB CYS 17 0.947 3.058 1.272 102 H CYS 18 H CYS 18 -0.087 4.026 2.700 103 HA CYS 18 HA CYS 18 -2.175 6.023 2.794 104 HB2 CYS 18 2HB CYS 18 0.216 5.391 4.482 105 HB3 CYS 18 3HB CYS 18 -0.559 6.965 4.625 106 HA PRO 19 HA PRO 19 0.193 8.679 0.016 107 HB2 PRO 19 2HB PRO 19 -1.711 10.571 -0.352 108 HB3 PRO 19 3HB PRO 19 -1.787 8.982 -1.134 109 HG2 PRO 19 2HG PRO 19 -3.291 10.002 1.211 110 HG3 PRO 19 3HG PRO 19 -3.812 8.902 -0.079 111 HD2 PRO 19 2HD PRO 19 -3.029 8.114 2.459 112 HD3 PRO 19 3HD PRO 19 -3.068 7.065 1.030 113 H GLY 20 H GLY 20 1.137 10.775 0.040 114 HA2 GLY 20 2HA GLY 20 1.660 12.874 0.978 115 HA3 GLY 20 3HA GLY 20 0.740 12.443 2.409 116 H LEU 21 H LEU 21 2.066 9.849 2.716 117 HA LEU 21 HA LEU 21 4.404 10.758 4.153 118 HB2 LEU 21 2HB LEU 21 3.378 7.933 3.901 119 HB3 LEU 21 3HB LEU 21 4.453 8.558 5.127 120 HG LEU 21 HG LEU 21 1.591 9.473 4.849 121 HD11 LEU 21 1HD1 LEU 21 2.673 7.315 6.653 122 HD12 LEU 21 2HD1 LEU 21 1.673 7.049 5.227 123 HD13 LEU 21 3HD1 LEU 21 1.016 7.920 6.613 124 HD21 LEU 21 3HD2 LEU 21 1.886 10.175 7.184 125 HD22 LEU 21 1HD2 LEU 21 3.038 10.975 6.116 126 HD23 LEU 21 2HD2 LEU 21 3.563 9.634 7.134 127 H GLY 22 H GLY 22 3.829 8.095 1.820 128 HA2 GLY 22 2HA GLY 22 5.356 8.294 -0.216 129 HA3 GLY 22 3HA GLY 22 6.643 8.341 0.974 130 H LEU 23 H LEU 23 3.759 6.291 1.145 131 HA LEU 23 HA LEU 23 5.478 3.939 1.292 132 HB2 LEU 23 2HB LEU 23 2.564 4.444 1.857 133 HB3 LEU 23 3HB LEU 23 3.153 2.812 1.665 134 HG LEU 23 HG LEU 23 2.918 3.408 4.017 135 HD11 LEU 23 1HD1 LEU 23 4.946 2.566 4.823 136 HD12 LEU 23 2HD1 LEU 23 5.857 3.214 3.462 137 HD13 LEU 23 3HD1 LEU 23 4.750 1.864 3.219 138 HD21 LEU 23 3HD2 LEU 23 3.229 5.724 4.104 139 HD22 LEU 23 1HD2 LEU 23 4.822 5.626 3.355 140 HD23 LEU 23 2HD2 LEU 23 4.582 5.036 4.999 141 H THR 24 H THR 24 5.077 2.031 0.076 142 HA THR 24 HA THR 24 3.526 2.275 -2.385 143 HB THR 24 HB THR 24 5.731 3.006 -3.101 144 HG1 THR 24 HG1 THR 24 6.110 0.687 -4.299 145 HG21 THR 24 3HG2 THR 24 6.755 0.446 -1.864 146 HG22 THR 24 1HG2 THR 24 7.199 2.098 -1.435 147 HG23 THR 24 2HG2 THR 24 7.687 1.429 -2.993 148 H CYS 25 H CYS 25 2.428 0.447 -2.825 149 HA CYS 25 HA CYS 25 2.826 -1.864 -1.118 150 HB2 CYS 25 2HB CYS 25 0.639 -0.727 -2.598 151 HB3 CYS 25 3HB CYS 25 0.834 -2.420 -3.033 152 H ILE 26 H ILE 26 3.971 -3.591 -1.632 153 HA ILE 26 HA ILE 26 4.558 -4.123 -4.469 154 HB ILE 26 HB ILE 26 6.453 -4.605 -2.159 155 HG12 ILE 26 2HG1 ILE 26 6.190 -2.192 -2.532 156 HG13 ILE 26 3HG1 ILE 26 7.793 -2.724 -2.998 157 HG21 ILE 26 1HG2 ILE 26 6.672 -6.138 -4.122 158 HG22 ILE 26 2HG2 ILE 26 8.117 -5.196 -3.748 159 HG23 ILE 26 3HG2 ILE 26 7.085 -4.729 -5.101 160 HD11 ILE 26 3HD1 ILE 26 6.969 -1.089 -4.572 161 HD12 ILE 26 1HD1 ILE 26 5.512 -2.045 -4.856 162 HD13 ILE 26 2HD1 ILE 26 7.083 -2.658 -5.371 163 HA PRO 27 HA PRO 27 4.612 -5.524 -5.983 164 HB2 PRO 27 2HB PRO 27 2.782 -6.969 -7.348 165 HB3 PRO 27 3HB PRO 27 4.365 -7.619 -6.885 166 HG2 PRO 27 2HG PRO 27 1.711 -8.048 -5.603 167 HG3 PRO 27 3HG PRO 27 3.009 -9.216 -5.924 168 HD2 PRO 27 2HD PRO 27 2.600 -8.089 -3.481 169 HD3 PRO 27 3HD PRO 27 4.193 -8.615 -4.056 170 H GLY 28 H GLY 28 1.472 -5.969 -4.437 171 HA2 GLY 28 2HA GLY 28 -0.028 -4.166 -4.054 172 HA3 GLY 28 3HA GLY 28 0.618 -3.355 -5.472 173 H ASN 29 H ASN 29 0.377 -5.975 -7.006 174 HA ASN 29 HA ASN 29 -2.535 -5.817 -7.468 175 HB2 ASN 29 2HB ASN 29 -0.275 -6.346 -9.408 176 HB3 ASN 29 3HB ASN 29 -1.968 -6.608 -9.811 177 HD21 ASN 29 1HD2 ASN 29 -3.336 -4.840 -10.040 178 HD22 ASN 29 2HD2 ASN 29 -2.731 -3.235 -10.251 179 HA PRO 30 HA PRO 30 -4.402 -6.848 -7.253 180 HB2 PRO 30 2HB PRO 30 -5.692 -8.179 -5.254 181 HB3 PRO 30 3HB PRO 30 -5.755 -8.689 -6.951 182 HG2 PRO 30 2HG PRO 30 -4.091 -9.759 -4.724 183 HG3 PRO 30 3HG PRO 30 -4.959 -10.630 -6.005 184 HD2 PRO 30 2HD PRO 30 -2.293 -10.187 -6.105 185 HD3 PRO 30 3HD PRO 30 -3.306 -10.273 -7.559 186 H ASP 31 H ASP 31 -2.300 -7.874 -4.645 187 HA ASP 31 HA ASP 31 -2.400 -5.245 -3.446 188 HB2 ASP 31 2HB ASP 31 -2.785 -6.171 -1.127 189 HB3 ASP 31 3HB ASP 31 -4.199 -6.182 -2.171 190 H GLY 32 H GLY 32 -0.651 -4.799 -2.058 191 HA2 GLY 32 2HA GLY 32 1.442 -6.855 -1.874 192 HA3 GLY 32 3HA GLY 32 1.826 -5.314 -2.626 193 H THR 33 H THR 33 3.480 -5.395 -0.849 194 HA THR 33 HA THR 33 2.418 -4.617 1.763 195 HB THR 33 HB THR 33 5.039 -4.668 2.236 196 HG1 THR 33 HG1 THR 33 5.861 -6.526 0.994 197 HG21 THR 33 3HG2 THR 33 3.293 -7.120 2.037 198 HG22 THR 33 1HG2 THR 33 3.368 -6.003 3.400 199 HG23 THR 33 2HG2 THR 33 4.773 -6.989 2.988 200 H CYS 34 H CYS 34 2.612 -2.669 2.612 201 HA CYS 34 HA CYS 34 3.424 -0.491 0.908 202 HB2 CYS 34 2HB CYS 34 2.227 -0.619 3.675 203 HB3 CYS 34 3HB CYS 34 2.682 0.900 2.911 204 H TYR 35 H TYR 35 5.476 -0.090 0.680 205 HA TYR 35 HA TYR 35 7.252 -0.087 3.029 206 HB2 TYR 35 2HB TYR 35 7.781 -0.650 0.119 207 HB3 TYR 35 3HB TYR 35 9.084 -0.186 1.208 208 HD1 TYR 35 HD2 TYR 35 9.395 -1.621 3.329 209 HD2 TYR 35 HD1 TYR 35 7.133 -2.891 -0.048 210 HE1 TYR 35 HE2 TYR 35 9.622 -3.946 4.062 211 HE2 TYR 35 HE1 TYR 35 7.353 -5.225 0.684 212 HH TYR 35 HH TYR 35 8.854 -6.589 2.075 213 H TYR 36 H TYR 36 8.672 1.632 3.344 214 HA TYR 36 HA TYR 36 7.695 4.177 2.395 215 HB2 TYR 36 2HB TYR 36 9.467 3.242 4.527 216 HB3 TYR 36 3HB TYR 36 10.025 4.727 3.768 217 HD1 TYR 36 HD2 TYR 36 8.277 6.646 3.557 218 HD2 TYR 36 HD1 TYR 36 7.838 3.332 6.192 219 HE1 TYR 36 HE2 TYR 36 6.687 7.939 4.910 220 HE2 TYR 36 HE1 TYR 36 6.242 4.617 7.549 221 HH TYR 36 HH TYR 36 5.684 6.969 8.001 222 H LEU 37 H LEU 37 8.452 5.389 0.807 223 HA LEU 37 HA LEU 37 10.580 4.398 -0.865 224 HB2 LEU 37 2HB LEU 37 8.759 6.790 -1.116 225 HB3 LEU 37 3HB LEU 37 9.980 6.376 -2.301 226 HG LEU 37 HG LEU 37 7.925 4.326 -1.588 227 HD11 LEU 37 1HD1 LEU 37 6.613 6.335 -1.953 228 HD12 LEU 37 2HD1 LEU 37 6.432 5.228 -3.313 229 HD13 LEU 37 3HD1 LEU 37 7.472 6.645 -3.462 230 HD21 LEU 37 3HD2 LEU 37 8.240 3.695 -3.932 231 HD22 LEU 37 1HD2 LEU 37 9.775 3.720 -3.064 232 HD23 LEU 37 2HD2 LEU 37 9.354 5.045 -4.149 Start of MODEL 14 1 H1 PCA 1 H1 PCA 1 -10.276 3.532 3.896 2 HA PCA 1 HA PCA 1 -11.482 5.374 2.390 3 HB2 PCA 1 3HB PCA 1 -11.200 7.214 3.903 4 HB3 PCA 1 2HB PCA 1 -9.593 7.390 3.099 5 HG2 PCA 1 3HG PCA 1 -11.130 7.025 5.623 6 HG3 PCA 1 2HG PCA 1 -9.361 6.845 5.506 7 H GLY 2 H GLY 2 -8.828 3.518 2.996 8 HA2 GLY 2 2HA GLY 2 -7.425 2.671 1.277 9 HA3 GLY 2 3HA GLY 2 -7.586 4.199 0.425 10 H CYS 3 H CYS 3 -6.563 3.254 3.703 11 HA CYS 3 HA CYS 3 -3.961 4.528 3.226 12 HB2 CYS 3 2HB CYS 3 -5.786 5.912 4.586 13 HB3 CYS 3 3HB CYS 3 -5.235 4.889 5.907 14 H ALA 4 H ALA 4 -2.513 2.977 3.466 15 HA ALA 4 HA ALA 4 -2.865 1.016 5.637 16 HB1 ALA 4 3HB ALA 4 -2.911 0.281 3.130 17 HB2 ALA 4 1HB ALA 4 -2.037 -0.680 4.324 18 HB3 ALA 4 2HB ALA 4 -1.157 0.421 3.267 19 H PHE 5 H PHE 5 -1.046 0.431 6.854 20 HA PHE 5 HA PHE 5 1.049 2.462 6.957 21 HB2 PHE 5 2HB PHE 5 0.242 0.246 8.850 22 HB3 PHE 5 3HB PHE 5 1.653 1.263 9.114 23 HD1 PHE 5 HD2 PHE 5 1.414 3.588 9.740 24 HD2 PHE 5 HD1 PHE 5 -1.996 1.124 9.103 25 HE1 PHE 5 HE2 PHE 5 -0.001 5.264 10.855 26 HE2 PHE 5 HE1 PHE 5 -3.417 2.795 10.216 27 HZ PHE 5 HZ PHE 5 -2.420 4.868 11.095 28 H GLU 6 H GLU 6 3.318 1.572 7.621 29 HA GLU 6 HA GLU 6 4.339 0.057 5.459 30 HB2 GLU 6 2HB GLU 6 5.552 1.803 6.884 31 HB3 GLU 6 3HB GLU 6 5.797 0.523 8.059 32 HG2 GLU 6 2HG GLU 6 6.930 -0.785 6.231 33 HG3 GLU 6 3HG GLU 6 6.854 0.675 5.246 34 H GLY 7 H GLY 7 4.925 -2.017 5.248 35 HA2 GLY 7 2HA GLY 7 5.317 -4.247 5.818 36 HA3 GLY 7 3HA GLY 7 4.951 -3.860 7.491 37 H GLU 8 H GLU 8 2.444 -2.568 5.910 38 HA GLU 8 HA GLU 8 0.732 -4.884 6.395 39 HB2 GLU 8 2HB GLU 8 0.345 -2.429 7.232 40 HB3 GLU 8 3HB GLU 8 -0.274 -2.165 5.609 41 HG2 GLU 8 2HG GLU 8 -1.949 -3.889 5.940 42 HG3 GLU 8 3HG GLU 8 -1.306 -4.227 7.547 43 H SER 9 H SER 9 -0.940 -5.468 4.863 44 HA SER 9 HA SER 9 0.012 -5.277 2.103 45 HB2 SER 9 2HB SER 9 -0.414 -7.524 3.133 46 HB3 SER 9 3HB SER 9 -2.123 -7.105 3.229 47 HG SER 9 HG SER 9 -2.321 -7.424 1.148 48 H CYS 10 H CYS 10 -0.840 -3.782 0.847 49 HA CYS 10 HA CYS 10 -3.675 -3.061 1.199 50 HB2 CYS 10 2HB CYS 10 -3.230 -0.821 0.823 51 HB3 CYS 10 3HB CYS 10 -1.787 -1.311 1.696 52 H ASN 11 H ASN 11 -4.862 -2.537 -0.705 53 HA ASN 11 HA ASN 11 -3.926 -3.976 -3.078 54 HB2 ASN 11 2HB ASN 11 -6.723 -3.014 -2.484 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.117 -3.761 56 HD21 ASN 11 1HD2 ASN 11 -6.455 -3.736 -0.278 57 HD22 ASN 11 2HD2 ASN 11 -6.615 -5.419 0.086 58 H VAL 12 H VAL 12 -3.719 -2.986 -5.040 59 HA VAL 12 HA VAL 12 -3.754 -0.070 -4.967 60 HB VAL 12 HB VAL 12 -2.478 -0.116 -7.059 61 HG11 VAL 12 1HG1 VAL 12 -0.417 -1.171 -6.188 62 HG12 VAL 12 2HG1 VAL 12 -1.374 -1.916 -4.905 63 HG13 VAL 12 3HG1 VAL 12 -1.234 -0.158 -4.995 64 HG21 VAL 12 3HG2 VAL 12 -2.368 -3.118 -6.870 65 HG22 VAL 12 1HG2 VAL 12 -1.806 -2.082 -8.183 66 HG23 VAL 12 2HG2 VAL 12 -3.537 -2.276 -7.888 67 H GLU 13 H GLU 13 -6.180 -1.840 -5.229 68 HA GLU 13 HA GLU 13 -7.223 -0.858 -7.801 69 HB2 GLU 13 2HB GLU 13 -8.110 -3.206 -6.118 70 HB3 GLU 13 3HB GLU 13 -8.872 -2.699 -7.616 71 HG2 GLU 13 2HG GLU 13 -5.971 -3.459 -7.540 72 HG3 GLU 13 3HG GLU 13 -7.238 -4.684 -7.642 73 H PHE 14 H PHE 14 -7.735 -0.974 -4.333 74 HA PHE 14 HA PHE 14 -9.818 1.052 -4.539 75 HB2 PHE 14 2HB PHE 14 -11.224 -0.330 -2.837 76 HB3 PHE 14 3HB PHE 14 -11.295 -0.756 -4.541 77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.775 -5.373 78 HD2 PHE 14 HD1 PHE 14 -10.202 -1.804 -1.237 79 HE1 PHE 14 HE2 PHE 14 -9.506 -5.063 -4.849 80 HE2 PHE 14 HE1 PHE 14 -9.462 -4.087 -0.701 81 HZ PHE 14 HZ PHE 14 -9.103 -5.706 -2.514 82 H TYR 15 H TYR 15 -7.919 -0.994 -2.318 83 HA TYR 15 HA TYR 15 -7.820 1.268 -0.429 84 HB2 TYR 15 2HB TYR 15 -8.952 -0.939 0.293 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.597 0.351 86 HD1 TYR 15 HD1 TYR 15 -5.673 -0.657 2.006 87 HD2 TYR 15 HD2 TYR 15 -9.780 0.474 2.015 88 HE1 TYR 15 HE1 TYR 15 -5.424 0.211 4.289 89 HE2 TYR 15 HE2 TYR 15 -9.537 1.349 4.299 90 HH TYR 15 HH TYR 15 -8.070 1.032 6.246 91 HA PRO 16 HA PRO 16 -3.439 0.581 -1.971 92 HB2 PRO 16 2HB PRO 16 -2.866 3.194 -2.474 93 HB3 PRO 16 3HB PRO 16 -3.700 2.162 -3.651 94 HG2 PRO 16 2HG PRO 16 -4.846 4.174 -1.770 95 HG3 PRO 16 3HG PRO 16 -5.235 3.878 -3.477 96 HD2 PRO 16 2HD PRO 16 -6.763 2.934 -1.448 97 HD3 PRO 16 3HD PRO 16 -6.594 2.095 -3.000 98 H CYS 17 H CYS 17 -1.425 2.156 -1.251 99 HA CYS 17 HA CYS 17 -1.271 1.911 1.578 100 HB2 CYS 17 2HB CYS 17 0.578 3.178 -0.450 101 HB3 CYS 17 3HB CYS 17 0.958 3.061 1.261 102 H CYS 18 H CYS 18 -0.084 4.019 2.701 103 HA CYS 18 HA CYS 18 -2.172 6.015 2.790 104 HB2 CYS 18 2HB CYS 18 0.209 5.376 4.486 105 HB3 CYS 18 3HB CYS 18 -0.555 6.955 4.626 106 HA PRO 19 HA PRO 19 0.201 8.680 0.026 107 HB2 PRO 19 2HB PRO 19 -1.701 10.574 -0.337 108 HB3 PRO 19 3HB PRO 19 -1.776 8.989 -1.127 109 HG2 PRO 19 2HG PRO 19 -3.286 9.999 1.218 110 HG3 PRO 19 3HG PRO 19 -3.803 8.903 -0.077 111 HD2 PRO 19 2HD PRO 19 -3.025 8.107 2.462 112 HD3 PRO 19 3HD PRO 19 -3.062 7.063 1.029 113 H GLY 20 H GLY 20 1.139 10.782 0.057 114 HA2 GLY 20 2HA GLY 20 1.662 12.876 1.006 115 HA3 GLY 20 3HA GLY 20 0.741 12.436 2.435 116 H LEU 21 H LEU 21 2.066 9.843 2.734 117 HA LEU 21 HA LEU 21 4.406 10.744 4.173 118 HB2 LEU 21 2HB LEU 21 3.378 7.922 3.910 119 HB3 LEU 21 3HB LEU 21 4.454 8.541 5.139 120 HG LEU 21 HG LEU 21 1.591 9.457 4.864 121 HD11 LEU 21 1HD1 LEU 21 1.019 7.898 6.624 122 HD12 LEU 21 2HD1 LEU 21 2.675 7.293 6.660 123 HD13 LEU 21 3HD1 LEU 21 1.671 7.033 5.234 124 HD21 LEU 21 3HD2 LEU 21 3.565 9.610 7.148 125 HD22 LEU 21 1HD2 LEU 21 1.886 10.150 7.202 126 HD23 LEU 21 2HD2 LEU 21 3.037 10.955 6.136 127 H GLY 22 H GLY 22 3.826 8.095 1.827 128 HA2 GLY 22 2HA GLY 22 5.348 8.297 -0.209 129 HA3 GLY 22 3HA GLY 22 6.639 8.344 0.978 130 H LEU 23 H LEU 23 3.758 6.289 1.148 131 HA LEU 23 HA LEU 23 5.480 3.940 1.290 132 HB2 LEU 23 2HB LEU 23 2.567 4.442 1.860 133 HB3 LEU 23 3HB LEU 23 3.157 2.810 1.664 134 HG LEU 23 HG LEU 23 2.926 3.396 4.016 135 HD11 LEU 23 1HD1 LEU 23 5.866 3.220 3.463 136 HD12 LEU 23 2HD1 LEU 23 4.768 1.867 3.204 137 HD13 LEU 23 3HD1 LEU 23 4.954 2.555 4.816 138 HD21 LEU 23 3HD2 LEU 23 3.226 5.715 4.105 139 HD22 LEU 23 1HD2 LEU 23 4.822 5.624 3.361 140 HD23 LEU 23 2HD2 LEU 23 4.578 5.029 5.004 141 H THR 24 H THR 24 5.078 2.031 0.074 142 HA THR 24 HA THR 24 3.526 2.277 -2.387 143 HB THR 24 HB THR 24 5.728 3.010 -3.103 144 HG1 THR 24 HG1 THR 24 4.505 1.517 -4.454 145 HG21 THR 24 3HG2 THR 24 6.756 0.450 -1.868 146 HG22 THR 24 1HG2 THR 24 7.198 2.104 -1.440 147 HG23 THR 24 2HG2 THR 24 7.688 1.437 -2.997 148 H CYS 25 H CYS 25 2.430 0.448 -2.828 149 HA CYS 25 HA CYS 25 2.832 -1.864 -1.121 150 HB2 CYS 25 2HB CYS 25 0.641 -0.729 -2.599 151 HB3 CYS 25 3HB CYS 25 0.837 -2.422 -3.032 152 H ILE 26 H ILE 26 3.974 -3.591 -1.637 153 HA ILE 26 HA ILE 26 4.559 -4.122 -4.475 154 HB ILE 26 HB ILE 26 6.457 -4.600 -2.168 155 HG12 ILE 26 2HG1 ILE 26 6.189 -2.187 -2.547 156 HG13 ILE 26 3HG1 ILE 26 7.794 -2.720 -3.008 157 HG21 ILE 26 1HG2 ILE 26 7.081 -4.733 -5.111 158 HG22 ILE 26 2HG2 ILE 26 6.676 -6.138 -4.126 159 HG23 ILE 26 3HG2 ILE 26 8.121 -5.192 -3.760 160 HD11 ILE 26 3HD1 ILE 26 5.517 -2.046 -4.872 161 HD12 ILE 26 1HD1 ILE 26 7.090 -2.663 -5.382 162 HD13 ILE 26 2HD1 ILE 26 6.973 -1.091 -4.589 163 HA PRO 27 HA PRO 27 4.612 -5.524 -5.989 164 HB2 PRO 27 2HB PRO 27 2.780 -6.971 -7.351 165 HB3 PRO 27 3HB PRO 27 4.363 -7.619 -6.889 166 HG2 PRO 27 2HG PRO 27 1.713 -8.050 -5.603 167 HG3 PRO 27 3HG PRO 27 3.011 -9.217 -5.925 168 HD2 PRO 27 2HD PRO 27 2.605 -8.089 -3.483 169 HD3 PRO 27 3HD PRO 27 4.197 -8.615 -4.059 170 H GLY 28 H GLY 28 1.474 -5.971 -4.441 171 HA2 GLY 28 2HA GLY 28 -0.026 -4.167 -4.055 172 HA3 GLY 28 3HA GLY 28 0.617 -3.358 -5.475 173 H ASN 29 H ASN 29 0.373 -5.980 -7.006 174 HA ASN 29 HA ASN 29 -2.540 -5.823 -7.462 175 HB2 ASN 29 2HB ASN 29 -0.283 -6.354 -9.405 176 HB3 ASN 29 3HB ASN 29 -1.977 -6.616 -9.804 177 HD21 ASN 29 1HD2 ASN 29 0.483 -4.262 -9.130 178 HD22 ASN 29 2HD2 ASN 29 -0.394 -2.885 -9.693 179 HA PRO 30 HA PRO 30 -4.405 -6.856 -7.242 180 HB2 PRO 30 2HB PRO 30 -5.691 -8.185 -5.241 181 HB3 PRO 30 3HB PRO 30 -5.756 -8.696 -6.938 182 HG2 PRO 30 2HG PRO 30 -4.089 -9.764 -4.711 183 HG3 PRO 30 3HG PRO 30 -4.959 -10.636 -5.990 184 HD2 PRO 30 2HD PRO 30 -2.293 -10.192 -6.093 185 HD3 PRO 30 3HD PRO 30 -3.307 -10.280 -7.546 186 H ASP 31 H ASP 31 -2.297 -7.878 -4.638 187 HA ASP 31 HA ASP 31 -2.397 -5.246 -3.441 188 HB2 ASP 31 2HB ASP 31 -2.777 -6.171 -1.121 189 HB3 ASP 31 3HB ASP 31 -4.193 -6.183 -2.162 190 H GLY 32 H GLY 32 -0.646 -4.798 -2.055 191 HA2 GLY 32 2HA GLY 32 1.450 -6.853 -1.874 192 HA3 GLY 32 3HA GLY 32 1.830 -5.310 -2.626 193 H THR 33 H THR 33 3.487 -5.395 -0.851 194 HA THR 33 HA THR 33 2.428 -4.618 1.763 195 HB THR 33 HB THR 33 5.049 -4.667 2.232 196 HG1 THR 33 HG1 THR 33 5.499 -5.220 0.001 197 HG21 THR 33 3HG2 THR 33 3.307 -7.122 2.033 198 HG22 THR 33 1HG2 THR 33 3.380 -6.006 3.396 199 HG23 THR 33 2HG2 THR 33 4.785 -6.988 2.983 200 H CYS 34 H CYS 34 2.626 -2.670 2.616 201 HA CYS 34 HA CYS 34 3.431 -0.491 0.909 202 HB2 CYS 34 2HB CYS 34 2.241 -0.621 3.679 203 HB3 CYS 34 3HB CYS 34 2.698 0.898 2.919 204 H TYR 35 H TYR 35 5.481 -0.088 0.676 205 HA TYR 35 HA TYR 35 7.265 -0.087 3.018 206 HB2 TYR 35 2HB TYR 35 7.784 -0.647 0.105 207 HB3 TYR 35 3HB TYR 35 9.090 -0.181 1.188 208 HD1 TYR 35 HD2 TYR 35 9.416 -1.616 3.306 209 HD2 TYR 35 HD1 TYR 35 7.135 -2.890 -0.058 210 HE1 TYR 35 HE2 TYR 35 9.649 -3.941 4.038 211 HE2 TYR 35 HE1 TYR 35 7.361 -5.222 0.673 212 HH TYR 35 HH TYR 35 8.486 -6.093 3.754 213 H TYR 36 H TYR 36 8.676 1.636 3.338 214 HA TYR 36 HA TYR 36 7.697 4.180 2.391 215 HB2 TYR 36 2HB TYR 36 9.472 3.244 4.520 216 HB3 TYR 36 3HB TYR 36 10.028 4.731 3.762 217 HD1 TYR 36 HD2 TYR 36 8.281 6.649 3.557 218 HD2 TYR 36 HD1 TYR 36 7.842 3.330 6.184 219 HE1 TYR 36 HE2 TYR 36 6.690 7.938 4.912 220 HE2 TYR 36 HE1 TYR 36 6.246 4.612 7.544 221 HH TYR 36 HH TYR 36 5.686 6.963 8.001 222 H LEU 37 H LEU 37 8.451 5.394 0.802 223 HA LEU 37 HA LEU 37 10.580 4.407 -0.872 224 HB2 LEU 37 2HB LEU 37 8.754 6.796 -1.120 225 HB3 LEU 37 3HB LEU 37 9.976 6.386 -2.307 226 HG LEU 37 HG LEU 37 7.924 4.332 -1.593 227 HD11 LEU 37 1HD1 LEU 37 7.466 6.651 -3.464 228 HD12 LEU 37 2HD1 LEU 37 6.609 6.339 -1.955 229 HD13 LEU 37 3HD1 LEU 37 6.429 5.233 -3.316 230 HD21 LEU 37 3HD2 LEU 37 8.239 3.703 -3.938 231 HD22 LEU 37 1HD2 LEU 37 9.775 3.730 -3.072 232 HD23 LEU 37 2HD2 LEU 37 9.350 5.055 -4.155 Start of MODEL 15 1 H1 PCA 1 H1 PCA 1 -9.968 7.316 3.342 2 HA PCA 1 HA PCA 1 -10.424 4.741 3.855 3 HB2 PCA 1 3HB PCA 1 -12.606 4.629 2.858 4 HB3 PCA 1 2HB PCA 1 -11.687 4.322 1.333 5 HG2 PCA 1 3HG PCA 1 -13.687 5.981 2.789 6 HG3 PCA 1 2HG PCA 1 -12.982 6.431 1.214 7 H GLY 2 H GLY 2 -8.813 3.487 3.019 8 HA2 GLY 2 2HA GLY 2 -7.409 2.667 1.284 9 HA3 GLY 2 3HA GLY 2 -7.591 4.201 0.445 10 H CYS 3 H CYS 3 -6.528 3.201 3.696 11 HA CYS 3 HA CYS 3 -3.947 4.516 3.231 12 HB2 CYS 3 2HB CYS 3 -5.779 5.884 4.599 13 HB3 CYS 3 3HB CYS 3 -5.217 4.862 5.915 14 H ALA 4 H ALA 4 -2.492 2.967 3.462 15 HA ALA 4 HA ALA 4 -2.838 0.992 5.622 16 HB1 ALA 4 3HB ALA 4 -1.089 0.432 3.274 17 HB2 ALA 4 1HB ALA 4 -2.839 0.285 3.101 18 HB3 ALA 4 2HB ALA 4 -1.985 -0.684 4.302 19 H PHE 5 H PHE 5 -1.019 0.398 6.839 20 HA PHE 5 HA PHE 5 1.063 2.445 6.977 21 HB2 PHE 5 2HB PHE 5 -0.368 1.445 8.961 22 HB3 PHE 5 3HB PHE 5 0.848 0.175 8.923 23 HD1 PHE 5 HD2 PHE 5 0.275 3.766 9.496 24 HD2 PHE 5 HD1 PHE 5 3.053 0.550 9.740 25 HE1 PHE 5 HE2 PHE 5 1.765 5.161 10.872 26 HE2 PHE 5 HE1 PHE 5 4.545 1.938 11.118 27 HZ PHE 5 HZ PHE 5 3.902 4.247 11.684 28 H GLU 6 H GLU 6 3.333 1.600 7.592 29 HA GLU 6 HA GLU 6 4.361 0.055 5.470 30 HB2 GLU 6 2HB GLU 6 5.569 1.801 6.896 31 HB3 GLU 6 3HB GLU 6 5.800 0.526 8.079 32 HG2 GLU 6 2HG GLU 6 6.944 -0.796 6.268 33 HG3 GLU 6 3HG GLU 6 6.881 0.659 5.274 34 H GLY 7 H GLY 7 4.929 -2.021 5.262 35 HA2 GLY 7 2HA GLY 7 5.314 -4.251 5.834 36 HA3 GLY 7 3HA GLY 7 4.946 -3.861 7.505 37 H GLU 8 H GLU 8 2.446 -2.560 5.922 38 HA GLU 8 HA GLU 8 0.726 -4.871 6.402 39 HB2 GLU 8 2HB GLU 8 0.346 -2.413 7.236 40 HB3 GLU 8 3HB GLU 8 -0.273 -2.152 5.613 41 HG2 GLU 8 2HG GLU 8 -1.950 -3.874 5.951 42 HG3 GLU 8 3HG GLU 8 -1.307 -4.206 7.559 43 H SER 9 H SER 9 -0.940 -5.456 4.866 44 HA SER 9 HA SER 9 0.016 -5.260 2.109 45 HB2 SER 9 2HB SER 9 -0.407 -7.510 3.138 46 HB3 SER 9 3HB SER 9 -2.118 -7.095 3.228 47 HG SER 9 HG SER 9 -2.283 -7.631 1.214 48 H CYS 10 H CYS 10 -0.844 -3.779 0.842 49 HA CYS 10 HA CYS 10 -3.680 -3.062 1.196 50 HB2 CYS 10 2HB CYS 10 -3.242 -0.820 0.814 51 HB3 CYS 10 3HB CYS 10 -1.800 -1.304 1.695 52 H ASN 11 H ASN 11 -4.865 -2.532 -0.711 53 HA ASN 11 HA ASN 11 -3.927 -3.972 -3.082 54 HB2 ASN 11 2HB ASN 11 -6.725 -3.010 -2.492 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.114 -3.768 56 HD21 ASN 11 1HD2 ASN 11 -6.457 -3.733 -0.285 57 HD22 ASN 11 2HD2 ASN 11 -6.618 -5.416 0.078 58 H VAL 12 H VAL 12 -3.719 -2.983 -5.045 59 HA VAL 12 HA VAL 12 -3.753 -0.066 -4.971 60 HB VAL 12 HB VAL 12 -2.476 -0.112 -7.063 61 HG11 VAL 12 1HG1 VAL 12 -1.232 -0.156 -4.999 62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.169 -6.192 63 HG13 VAL 12 3HG1 VAL 12 -1.375 -1.912 -4.910 64 HG21 VAL 12 3HG2 VAL 12 -2.372 -3.113 -6.875 65 HG22 VAL 12 1HG2 VAL 12 -1.804 -2.077 -8.186 66 HG23 VAL 12 2HG2 VAL 12 -3.536 -2.269 -7.895 67 H GLU 13 H GLU 13 -6.178 -1.836 -5.234 68 HA GLU 13 HA GLU 13 -7.222 -0.854 -7.806 69 HB2 GLU 13 2HB GLU 13 -8.110 -3.200 -6.122 70 HB3 GLU 13 3HB GLU 13 -8.873 -2.693 -7.619 71 HG2 GLU 13 2HG GLU 13 -5.973 -3.456 -7.545 72 HG3 GLU 13 3HG GLU 13 -7.239 -4.679 -7.647 73 H PHE 14 H PHE 14 -7.734 -0.967 -4.338 74 HA PHE 14 HA PHE 14 -9.814 1.059 -4.545 75 HB2 PHE 14 2HB PHE 14 -11.224 -0.321 -2.843 76 HB3 PHE 14 3HB PHE 14 -11.294 -0.747 -4.549 77 HD1 PHE 14 HD2 PHE 14 -10.235 -2.767 -5.380 78 HD2 PHE 14 HD1 PHE 14 -10.203 -1.796 -1.244 79 HE1 PHE 14 HE2 PHE 14 -9.508 -5.056 -4.855 80 HE2 PHE 14 HE1 PHE 14 -9.466 -4.079 -0.707 81 HZ PHE 14 HZ PHE 14 -9.107 -5.699 -2.520 82 H TYR 15 H TYR 15 -7.920 -0.989 -2.324 83 HA TYR 15 HA TYR 15 -7.819 1.273 -0.434 84 HB2 TYR 15 2HB TYR 15 -8.953 -0.932 0.287 85 HB3 TYR 15 3HB TYR 15 -7.328 -1.591 0.346 86 HD1 TYR 15 HD2 TYR 15 -5.672 -0.647 1.998 87 HD2 TYR 15 HD1 TYR 15 -9.781 0.478 2.012 88 HE1 TYR 15 HE2 TYR 15 -5.421 0.222 4.280 89 HE2 TYR 15 HE1 TYR 15 -9.536 1.352 4.297 90 HH TYR 15 HH TYR 15 -6.518 1.846 5.764 91 HA PRO 16 HA PRO 16 -3.438 0.583 -1.974 92 HB2 PRO 16 2HB PRO 16 -2.862 3.196 -2.475 93 HB3 PRO 16 3HB PRO 16 -3.696 2.165 -3.654 94 HG2 PRO 16 2HG PRO 16 -4.841 4.177 -1.773 95 HG3 PRO 16 3HG PRO 16 -5.229 3.882 -3.480 96 HD2 PRO 16 2HD PRO 16 -6.761 2.938 -1.453 97 HD3 PRO 16 3HD PRO 16 -6.590 2.100 -3.005 98 H CYS 17 H CYS 17 -1.422 2.154 -1.251 99 HA CYS 17 HA CYS 17 -1.273 1.910 1.578 100 HB2 CYS 17 2HB CYS 17 0.582 3.173 -0.447 101 HB3 CYS 17 3HB CYS 17 0.958 3.056 1.264 102 H CYS 18 H CYS 18 -0.085 4.016 2.703 103 HA CYS 18 HA CYS 18 -2.171 6.013 2.790 104 HB2 CYS 18 2HB CYS 18 0.218 5.384 4.480 105 HB3 CYS 18 3HB CYS 18 -0.556 6.960 4.621 106 HA PRO 19 HA PRO 19 0.190 8.671 0.010 107 HB2 PRO 19 2HB PRO 19 -1.719 10.558 -0.361 108 HB3 PRO 19 3HB PRO 19 -1.789 8.968 -1.141 109 HG2 PRO 19 2HG PRO 19 -3.300 9.984 1.199 110 HG3 PRO 19 3HG PRO 19 -3.815 8.881 -0.090 111 HD2 PRO 19 2HD PRO 19 -3.031 8.100 2.453 112 HD3 PRO 19 3HD PRO 19 -3.066 7.049 1.024 113 H GLY 20 H GLY 20 1.133 10.768 0.036 114 HA2 GLY 20 2HA GLY 20 1.646 12.870 0.971 115 HA3 GLY 20 3HA GLY 20 0.726 12.437 2.403 116 H LEU 21 H LEU 21 2.057 9.847 2.715 117 HA LEU 21 HA LEU 21 4.392 10.763 4.152 118 HB2 LEU 21 2HB LEU 21 3.374 7.937 3.904 119 HB3 LEU 21 3HB LEU 21 4.446 8.566 5.130 120 HG LEU 21 HG LEU 21 1.580 9.473 4.848 121 HD11 LEU 21 1HD1 LEU 21 2.665 7.324 6.661 122 HD12 LEU 21 2HD1 LEU 21 1.672 7.049 5.231 123 HD13 LEU 21 3HD1 LEU 21 1.007 7.921 6.611 124 HD21 LEU 21 3HD2 LEU 21 3.023 10.982 6.112 125 HD22 LEU 21 1HD2 LEU 21 3.551 9.645 7.133 126 HD23 LEU 21 2HD2 LEU 21 1.871 10.180 7.181 127 H GLY 22 H GLY 22 3.830 8.087 1.831 128 HA2 GLY 22 2HA GLY 22 5.359 8.293 -0.206 129 HA3 GLY 22 3HA GLY 22 6.644 8.338 0.988 130 H LEU 23 H LEU 23 3.759 6.289 1.153 131 HA LEU 23 HA LEU 23 5.479 3.937 1.295 132 HB2 LEU 23 2HB LEU 23 2.565 4.440 1.868 133 HB3 LEU 23 3HB LEU 23 3.158 2.808 1.677 134 HG LEU 23 HG LEU 23 2.926 3.407 4.029 135 HD11 LEU 23 1HD1 LEU 23 5.865 3.218 3.465 136 HD12 LEU 23 2HD1 LEU 23 4.759 1.867 3.230 137 HD13 LEU 23 3HD1 LEU 23 4.959 2.573 4.833 138 HD21 LEU 23 3HD2 LEU 23 4.827 5.628 3.362 139 HD22 LEU 23 1HD2 LEU 23 4.581 5.041 5.008 140 HD23 LEU 23 2HD2 LEU 23 3.231 5.726 4.106 141 H THR 24 H THR 24 5.077 2.031 0.079 142 HA THR 24 HA THR 24 3.517 2.278 -2.379 143 HB THR 24 HB THR 24 5.720 3.009 -3.098 144 HG1 THR 24 HG1 THR 24 6.155 0.833 -4.393 145 HG21 THR 24 3HG2 THR 24 7.192 2.098 -1.438 146 HG22 THR 24 1HG2 THR 24 7.677 1.434 -2.999 147 HG23 THR 24 2HG2 THR 24 6.748 0.447 -1.868 148 H CYS 25 H CYS 25 2.424 0.448 -2.826 149 HA CYS 25 HA CYS 25 2.824 -1.864 -1.119 150 HB2 CYS 25 2HB CYS 25 0.636 -0.729 -2.599 151 HB3 CYS 25 3HB CYS 25 0.831 -2.421 -3.031 152 H ILE 26 H ILE 26 3.969 -3.590 -1.635 153 HA ILE 26 HA ILE 26 4.557 -4.119 -4.472 154 HB ILE 26 HB ILE 26 6.453 -4.599 -2.165 155 HG12 ILE 26 2HG1 ILE 26 6.185 -2.186 -2.538 156 HG13 ILE 26 3HG1 ILE 26 7.789 -2.716 -3.001 157 HG21 ILE 26 1HG2 ILE 26 8.118 -5.186 -3.758 158 HG22 ILE 26 2HG2 ILE 26 7.080 -4.724 -5.107 159 HG23 ILE 26 3HG2 ILE 26 6.675 -6.133 -4.127 160 HD11 ILE 26 3HD1 ILE 26 6.966 -1.083 -4.576 161 HD12 ILE 26 1HD1 ILE 26 5.512 -2.043 -4.863 162 HD13 ILE 26 2HD1 ILE 26 7.085 -2.653 -5.375 163 HA PRO 27 HA PRO 27 4.612 -5.520 -5.988 164 HB2 PRO 27 2HB PRO 27 2.782 -6.966 -7.352 165 HB3 PRO 27 3HB PRO 27 4.365 -7.614 -6.890 166 HG2 PRO 27 2HG PRO 27 1.712 -8.046 -5.607 167 HG3 PRO 27 3HG PRO 27 3.011 -9.214 -5.930 168 HD2 PRO 27 2HD PRO 27 2.603 -8.088 -3.486 169 HD3 PRO 27 3HD PRO 27 4.197 -8.613 -4.061 170 H GLY 28 H GLY 28 1.472 -5.968 -4.443 171 HA2 GLY 28 2HA GLY 28 -0.029 -4.166 -4.056 172 HA3 GLY 28 3HA GLY 28 0.616 -3.355 -5.475 173 H ASN 29 H ASN 29 0.374 -5.977 -7.009 174 HA ASN 29 HA ASN 29 -2.538 -5.818 -7.468 175 HB2 ASN 29 2HB ASN 29 -0.279 -6.349 -9.410 176 HB3 ASN 29 3HB ASN 29 -1.972 -6.610 -9.812 177 HD21 ASN 29 1HD2 ASN 29 -3.340 -4.842 -10.042 178 HD22 ASN 29 2HD2 ASN 29 -2.736 -3.238 -10.253 179 HA PRO 30 HA PRO 30 -4.404 -6.849 -7.252 180 HB2 PRO 30 2HB PRO 30 -5.693 -8.178 -5.252 181 HB3 PRO 30 3HB PRO 30 -5.757 -8.689 -6.949 182 HG2 PRO 30 2HG PRO 30 -4.093 -9.759 -4.722 183 HG3 PRO 30 3HG PRO 30 -4.961 -10.629 -6.001 184 HD2 PRO 30 2HD PRO 30 -2.295 -10.187 -6.103 185 HD3 PRO 30 3HD PRO 30 -3.308 -10.275 -7.555 186 H ASP 31 H ASP 31 -2.300 -7.874 -4.645 187 HA ASP 31 HA ASP 31 -2.401 -5.244 -3.445 188 HB2 ASP 31 2HB ASP 31 -2.783 -6.171 -1.127 189 HB3 ASP 31 3HB ASP 31 -4.198 -6.184 -2.169 190 H GLY 32 H GLY 32 -0.651 -4.798 -2.059 191 HA2 GLY 32 2HA GLY 32 1.446 -6.851 -1.879 192 HA3 GLY 32 3HA GLY 32 1.826 -5.308 -2.630 193 H THR 33 H THR 33 3.481 -5.395 -0.851 194 HA THR 33 HA THR 33 2.421 -4.620 1.762 195 HB THR 33 HB THR 33 5.040 -4.673 2.235 196 HG1 THR 33 HG1 THR 33 5.336 -6.855 0.762 197 HG21 THR 33 3HG2 THR 33 4.774 -6.995 2.979 198 HG22 THR 33 1HG2 THR 33 3.297 -7.126 2.025 199 HG23 THR 33 2HG2 THR 33 3.368 -6.014 3.393 200 H CYS 34 H CYS 34 2.620 -2.675 2.618 201 HA CYS 34 HA CYS 34 3.426 -0.493 0.916 202 HB2 CYS 34 2HB CYS 34 2.235 -0.628 3.684 203 HB3 CYS 34 3HB CYS 34 2.693 0.893 2.926 204 H TYR 35 H TYR 35 5.476 -0.087 0.685 205 HA TYR 35 HA TYR 35 7.258 -0.090 3.029 206 HB2 TYR 35 2HB TYR 35 7.782 -0.647 0.117 207 HB3 TYR 35 3HB TYR 35 9.087 -0.186 1.203 208 HD1 TYR 35 HD2 TYR 35 9.406 -1.624 3.319 209 HD2 TYR 35 HD1 TYR 35 7.133 -2.889 -0.053 210 HE1 TYR 35 HE2 TYR 35 9.637 -3.951 4.048 211 HE2 TYR 35 HE1 TYR 35 7.356 -5.224 0.674 212 HH TYR 35 HH TYR 35 8.864 -6.590 2.057 213 H TYR 36 H TYR 36 8.685 1.629 3.338 214 HA TYR 36 HA TYR 36 7.703 4.174 2.396 215 HB2 TYR 36 2HB TYR 36 9.487 3.237 4.520 216 HB3 TYR 36 3HB TYR 36 10.031 4.730 3.764 217 HD1 TYR 36 HD1 TYR 36 8.271 6.637 3.568 218 HD2 TYR 36 HD2 TYR 36 7.867 3.312 6.194 219 HE1 TYR 36 HE1 TYR 36 6.678 7.915 4.932 220 HE2 TYR 36 HE2 TYR 36 6.268 4.582 7.563 221 HH TYR 36 HH TYR 36 4.852 7.482 6.523 222 H LEU 37 H LEU 37 8.454 5.386 0.808 223 HA LEU 37 HA LEU 37 10.577 4.398 -0.872 224 HB2 LEU 37 2HB LEU 37 8.756 6.790 -1.115 225 HB3 LEU 37 3HB LEU 37 9.973 6.379 -2.304 226 HG LEU 37 HG LEU 37 7.920 4.327 -1.587 227 HD11 LEU 37 1HD1 LEU 37 7.460 6.649 -3.455 228 HD12 LEU 37 2HD1 LEU 37 6.607 6.338 -1.943 229 HD13 LEU 37 3HD1 LEU 37 6.420 5.233 -3.305 230 HD21 LEU 37 3HD2 LEU 37 9.766 3.724 -3.071 231 HD22 LEU 37 1HD2 LEU 37 9.339 5.052 -4.152 232 HD23 LEU 37 2HD2 LEU 37 8.227 3.701 -3.933 Start of MODEL 16 1 H1 PCA 1 H1 PCA 1 -10.642 6.808 3.998 2 HA PCA 1 HA PCA 1 -10.442 4.437 3.912 3 HB2 PCA 1 3HB PCA 1 -12.623 3.953 3.033 4 HB3 PCA 1 2HB PCA 1 -11.738 3.712 1.478 5 HG2 PCA 1 3HG PCA 1 -13.898 5.124 2.965 6 HG3 PCA 1 2HG PCA 1 -13.343 5.595 1.338 7 H GLY 2 H GLY 2 -8.665 3.442 3.083 8 HA2 GLY 2 2HA GLY 2 -7.350 2.745 1.158 9 HA3 GLY 2 3HA GLY 2 -7.618 4.340 0.472 10 H CYS 3 H CYS 3 -6.506 3.186 3.657 11 HA CYS 3 HA CYS 3 -3.935 4.528 3.236 12 HB2 CYS 3 2HB CYS 3 -5.777 5.889 4.598 13 HB3 CYS 3 3HB CYS 3 -5.221 4.860 5.913 14 H ALA 4 H ALA 4 -2.488 2.970 3.460 15 HA ALA 4 HA ALA 4 -2.844 0.986 5.611 16 HB1 ALA 4 3HB ALA 4 -1.066 0.439 3.283 17 HB2 ALA 4 1HB ALA 4 -2.813 0.294 3.083 18 HB3 ALA 4 2HB ALA 4 -1.978 -0.681 4.292 19 H PHE 5 H PHE 5 -1.020 0.370 6.822 20 HA PHE 5 HA PHE 5 1.051 2.428 7.000 21 HB2 PHE 5 2HB PHE 5 -0.382 1.429 8.970 22 HB3 PHE 5 3HB PHE 5 0.802 0.130 8.917 23 HD1 PHE 5 HD1 PHE 5 0.325 3.733 9.525 24 HD2 PHE 5 HD2 PHE 5 3.003 0.432 9.762 25 HE1 PHE 5 HE1 PHE 5 1.843 5.070 10.926 26 HE2 PHE 5 HE2 PHE 5 4.525 1.764 11.163 27 HZ PHE 5 HZ PHE 5 3.945 4.086 11.747 28 H GLU 6 H GLU 6 3.322 1.596 7.600 29 HA GLU 6 HA GLU 6 4.356 0.061 5.474 30 HB2 GLU 6 2HB GLU 6 5.559 1.808 6.895 31 HB3 GLU 6 3HB GLU 6 5.792 0.539 8.084 32 HG2 GLU 6 2HG GLU 6 6.942 -0.786 6.279 33 HG3 GLU 6 3HG GLU 6 6.879 0.666 5.282 34 H GLY 7 H GLY 7 4.921 -2.012 5.256 35 HA2 GLY 7 2HA GLY 7 5.320 -4.243 5.821 36 HA3 GLY 7 3HA GLY 7 4.957 -3.859 7.495 37 H GLU 8 H GLU 8 2.448 -2.564 5.914 38 HA GLU 8 HA GLU 8 0.735 -4.880 6.401 39 HB2 GLU 8 2HB GLU 8 0.350 -2.424 7.238 40 HB3 GLU 8 3HB GLU 8 -0.271 -2.160 5.617 41 HG2 GLU 8 2HG GLU 8 -1.946 -3.883 5.951 42 HG3 GLU 8 3HG GLU 8 -1.300 -4.223 7.556 43 H SER 9 H SER 9 -0.939 -5.460 4.868 44 HA SER 9 HA SER 9 0.012 -5.268 2.109 45 HB2 SER 9 2HB SER 9 -0.416 -7.516 3.140 46 HB3 SER 9 3HB SER 9 -2.125 -7.095 3.233 47 HG SER 9 HG SER 9 -1.958 -6.748 0.891 48 H CYS 10 H CYS 10 -0.846 -3.788 0.840 49 HA CYS 10 HA CYS 10 -3.680 -3.063 1.197 50 HB2 CYS 10 2HB CYS 10 -3.237 -0.823 0.819 51 HB3 CYS 10 3HB CYS 10 -1.793 -1.311 1.694 52 H ASN 11 H ASN 11 -4.864 -2.533 -0.711 53 HA ASN 11 HA ASN 11 -3.927 -3.973 -3.083 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.007 -2.494 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.114 -3.767 56 HD21 ASN 11 1HD2 ASN 11 -6.463 -3.724 -0.285 57 HD22 ASN 11 2HD2 ASN 11 -6.626 -5.406 0.082 58 H VAL 12 H VAL 12 -3.719 -2.982 -5.046 59 HA VAL 12 HA VAL 12 -3.751 -0.065 -4.968 60 HB VAL 12 HB VAL 12 -2.471 -0.109 -7.058 61 HG11 VAL 12 1HG1 VAL 12 -1.368 -1.917 -4.913 62 HG12 VAL 12 2HG1 VAL 12 -1.238 -0.159 -4.984 63 HG13 VAL 12 3HG1 VAL 12 -0.412 -1.154 -6.185 64 HG21 VAL 12 3HG2 VAL 12 -3.530 -2.265 -7.893 65 HG22 VAL 12 1HG2 VAL 12 -2.366 -3.111 -6.874 66 HG23 VAL 12 2HG2 VAL 12 -1.798 -2.073 -8.183 67 H GLU 13 H GLU 13 -6.176 -1.836 -5.237 68 HA GLU 13 HA GLU 13 -7.216 -0.847 -7.808 69 HB2 GLU 13 2HB GLU 13 -8.105 -3.200 -6.134 70 HB3 GLU 13 3HB GLU 13 -8.866 -2.689 -7.630 71 HG2 GLU 13 2HG GLU 13 -5.965 -3.448 -7.556 72 HG3 GLU 13 3HG GLU 13 -7.230 -4.673 -7.661 73 H PHE 14 H PHE 14 -7.737 -0.975 -4.342 74 HA PHE 14 HA PHE 14 -9.818 1.051 -4.546 75 HB2 PHE 14 2HB PHE 14 -11.227 -0.336 -2.849 76 HB3 PHE 14 3HB PHE 14 -11.295 -0.758 -4.555 77 HD1 PHE 14 HD1 PHE 14 -10.233 -2.773 -5.393 78 HD2 PHE 14 HD2 PHE 14 -10.205 -1.814 -1.253 79 HE1 PHE 14 HE1 PHE 14 -9.498 -5.061 -4.874 80 HE2 PHE 14 HE2 PHE 14 -9.473 -4.101 -0.722 81 HZ PHE 14 HZ PHE 14 -9.104 -5.713 -2.540 82 H TYR 15 H TYR 15 -7.920 -0.998 -2.329 83 HA TYR 15 HA TYR 15 -7.830 1.256 -0.431 84 HB2 TYR 15 2HB TYR 15 -8.954 -0.955 0.282 85 HB3 TYR 15 3HB TYR 15 -7.327 -1.611 0.335 86 HD1 TYR 15 HD1 TYR 15 -5.665 -0.645 1.980 87 HD2 TYR 15 HD2 TYR 15 -9.790 0.414 2.026 88 HE1 TYR 15 HE1 TYR 15 -5.414 0.211 4.267 89 HE2 TYR 15 HE2 TYR 15 -9.544 1.277 4.315 90 HH TYR 15 HH TYR 15 -6.527 1.806 5.769 91 HA PRO 16 HA PRO 16 -3.444 0.593 -1.974 92 HB2 PRO 16 2HB PRO 16 -2.881 3.211 -2.464 93 HB3 PRO 16 3HB PRO 16 -3.710 2.181 -3.646 94 HG2 PRO 16 2HG PRO 16 -4.865 4.179 -1.756 95 HG3 PRO 16 3HG PRO 16 -5.251 3.890 -3.465 96 HD2 PRO 16 2HD PRO 16 -6.779 2.930 -1.443 97 HD3 PRO 16 3HD PRO 16 -6.603 2.100 -2.998 98 H CYS 17 H CYS 17 -1.433 2.162 -1.245 99 HA CYS 17 HA CYS 17 -1.285 1.914 1.585 100 HB2 CYS 17 2HB CYS 17 0.571 3.188 -0.435 101 HB3 CYS 17 3HB CYS 17 0.947 3.056 1.275 102 H CYS 18 H CYS 18 -0.086 4.027 2.701 103 HA CYS 18 HA CYS 18 -2.176 6.023 2.794 104 HB2 CYS 18 2HB CYS 18 0.216 5.393 4.482 105 HB3 CYS 18 3HB CYS 18 -0.561 6.967 4.626 106 HA PRO 19 HA PRO 19 0.192 8.677 0.014 107 HB2 PRO 19 2HB PRO 19 -1.713 10.568 -0.357 108 HB3 PRO 19 3HB PRO 19 -1.786 8.977 -1.138 109 HG2 PRO 19 2HG PRO 19 -3.295 9.997 1.204 110 HG3 PRO 19 3HG PRO 19 -3.813 8.896 -0.086 111 HD2 PRO 19 2HD PRO 19 -3.031 8.112 2.456 112 HD3 PRO 19 3HD PRO 19 -3.068 7.061 1.027 113 H GLY 20 H GLY 20 1.133 10.776 0.038 114 HA2 GLY 20 2HA GLY 20 1.652 12.875 0.974 115 HA3 GLY 20 3HA GLY 20 0.732 12.443 2.405 116 H LEU 21 H LEU 21 2.061 9.851 2.715 117 HA LEU 21 HA LEU 21 4.397 10.763 4.152 118 HB2 LEU 21 2HB LEU 21 3.374 7.938 3.900 119 HB3 LEU 21 3HB LEU 21 4.449 8.564 5.125 120 HG LEU 21 HG LEU 21 1.585 9.476 4.848 121 HD11 LEU 21 1HD1 LEU 21 1.672 7.051 5.227 122 HD12 LEU 21 2HD1 LEU 21 1.012 7.922 6.609 123 HD13 LEU 21 3HD1 LEU 21 2.668 7.321 6.656 124 HD21 LEU 21 3HD2 LEU 21 3.559 9.640 7.131 125 HD22 LEU 21 1HD2 LEU 21 1.881 10.177 7.183 126 HD23 LEU 21 2HD2 LEU 21 3.031 10.980 6.113 127 H GLY 22 H GLY 22 3.833 8.088 1.829 128 HA2 GLY 22 2HA GLY 22 5.360 8.295 -0.209 129 HA3 GLY 22 3HA GLY 22 6.646 8.339 0.984 130 H LEU 23 H LEU 23 3.760 6.290 1.145 131 HA LEU 23 HA LEU 23 5.478 3.939 1.293 132 HB2 LEU 23 2HB LEU 23 2.565 4.445 1.859 133 HB3 LEU 23 3HB LEU 23 3.154 2.812 1.666 134 HG LEU 23 HG LEU 23 2.920 3.406 4.019 135 HD11 LEU 23 1HD1 LEU 23 5.859 3.215 3.462 136 HD12 LEU 23 2HD1 LEU 23 4.752 1.865 3.217 137 HD13 LEU 23 3HD1 LEU 23 4.949 2.564 4.823 138 HD21 LEU 23 3HD2 LEU 23 3.229 5.726 4.100 139 HD22 LEU 23 1HD2 LEU 23 4.827 5.624 3.361 140 HD23 LEU 23 2HD2 LEU 23 4.576 5.035 5.005 141 H THR 24 H THR 24 5.075 2.031 0.078 142 HA THR 24 HA THR 24 3.525 2.276 -2.384 143 HB THR 24 HB THR 24 5.728 3.008 -3.099 144 HG1 THR 24 HG1 THR 24 4.413 1.209 -4.258 145 HG21 THR 24 3HG2 THR 24 6.755 0.446 -1.866 146 HG22 THR 24 1HG2 THR 24 7.196 2.098 -1.433 147 HG23 THR 24 2HG2 THR 24 7.687 1.435 -2.992 148 H CYS 25 H CYS 25 2.428 0.447 -2.825 149 HA CYS 25 HA CYS 25 2.828 -1.864 -1.118 150 HB2 CYS 25 2HB CYS 25 0.639 -0.727 -2.598 151 HB3 CYS 25 3HB CYS 25 0.835 -2.420 -3.033 152 H ILE 26 H ILE 26 3.970 -3.591 -1.634 153 HA ILE 26 HA ILE 26 4.558 -4.123 -4.471 154 HB ILE 26 HB ILE 26 6.454 -4.603 -2.163 155 HG12 ILE 26 2HG1 ILE 26 6.189 -2.190 -2.539 156 HG13 ILE 26 3HG1 ILE 26 7.793 -2.722 -3.000 157 HG21 ILE 26 1HG2 ILE 26 8.119 -5.191 -3.755 158 HG22 ILE 26 2HG2 ILE 26 7.079 -4.733 -5.105 159 HG23 ILE 26 3HG2 ILE 26 6.675 -6.140 -4.121 160 HD11 ILE 26 3HD1 ILE 26 7.087 -2.661 -5.375 161 HD12 ILE 26 1HD1 ILE 26 6.971 -1.091 -4.578 162 HD13 ILE 26 2HD1 ILE 26 5.516 -2.046 -4.863 163 HA PRO 27 HA PRO 27 4.610 -5.523 -5.985 164 HB2 PRO 27 2HB PRO 27 2.781 -6.969 -7.350 165 HB3 PRO 27 3HB PRO 27 4.363 -7.618 -6.888 166 HG2 PRO 27 2HG PRO 27 1.711 -8.048 -5.604 167 HG3 PRO 27 3HG PRO 27 3.009 -9.216 -5.926 168 HD2 PRO 27 2HD PRO 27 2.599 -8.088 -3.484 169 HD3 PRO 27 3HD PRO 27 4.193 -8.614 -4.057 170 H GLY 28 H GLY 28 1.472 -5.968 -4.438 171 HA2 GLY 28 2HA GLY 28 -0.029 -4.166 -4.054 172 HA3 GLY 28 3HA GLY 28 0.617 -3.356 -5.472 173 H ASN 29 H ASN 29 0.375 -5.976 -7.007 174 HA ASN 29 HA ASN 29 -2.537 -5.818 -7.467 175 HB2 ASN 29 2HB ASN 29 -0.277 -6.346 -9.406 176 HB3 ASN 29 3HB ASN 29 -1.970 -6.609 -9.810 177 HD21 ASN 29 1HD2 ASN 29 0.488 -4.254 -9.130 178 HD22 ASN 29 2HD2 ASN 29 -0.390 -2.876 -9.693 179 HA PRO 30 HA PRO 30 -4.404 -6.849 -7.252 180 HB2 PRO 30 2HB PRO 30 -5.694 -8.180 -5.253 181 HB3 PRO 30 3HB PRO 30 -5.755 -8.690 -6.951 182 HG2 PRO 30 2HG PRO 30 -4.092 -9.758 -4.723 183 HG3 PRO 30 3HG PRO 30 -4.960 -10.630 -6.003 184 HD2 PRO 30 2HD PRO 30 -2.295 -10.187 -6.103 185 HD3 PRO 30 3HD PRO 30 -3.307 -10.274 -7.556 186 H ASP 31 H ASP 31 -2.300 -7.875 -4.646 187 HA ASP 31 HA ASP 31 -2.401 -5.245 -3.445 188 HB2 ASP 31 2HB ASP 31 -2.785 -6.171 -1.126 189 HB3 ASP 31 3HB ASP 31 -4.199 -6.183 -2.171 190 H GLY 32 H GLY 32 -0.652 -4.800 -2.057 191 HA2 GLY 32 2HA GLY 32 1.444 -6.855 -1.874 192 HA3 GLY 32 3HA GLY 32 1.826 -5.314 -2.627 193 H THR 33 H THR 33 3.481 -5.396 -0.850 194 HA THR 33 HA THR 33 2.420 -4.619 1.763 195 HB THR 33 HB THR 33 5.040 -4.671 2.234 196 HG1 THR 33 HG1 THR 33 4.723 -6.600 0.165 197 HG21 THR 33 3HG2 THR 33 3.368 -6.006 3.398 198 HG22 THR 33 1HG2 THR 33 4.773 -6.991 2.987 199 HG23 THR 33 2HG2 THR 33 3.293 -7.123 2.034 200 H CYS 34 H CYS 34 2.615 -2.671 2.613 201 HA CYS 34 HA CYS 34 3.426 -0.492 0.908 202 HB2 CYS 34 2HB CYS 34 2.231 -0.620 3.676 203 HB3 CYS 34 3HB CYS 34 2.685 0.899 2.911 204 H TYR 35 H TYR 35 5.477 -0.091 0.681 205 HA TYR 35 HA TYR 35 7.254 -0.089 3.029 206 HB2 TYR 35 2HB TYR 35 7.783 -0.649 0.118 207 HB3 TYR 35 3HB TYR 35 9.086 -0.189 1.208 208 HD1 TYR 35 HD1 TYR 35 9.399 -1.625 3.326 209 HD2 TYR 35 HD2 TYR 35 7.135 -2.891 -0.052 210 HE1 TYR 35 HE1 TYR 35 9.626 -3.952 4.056 211 HE2 TYR 35 HE2 TYR 35 7.352 -5.225 0.677 212 HH TYR 35 HH TYR 35 8.460 -6.101 3.762 213 H TYR 36 H TYR 36 8.681 1.628 3.338 214 HA TYR 36 HA TYR 36 7.701 4.174 2.395 215 HB2 TYR 36 2HB TYR 36 9.484 3.237 4.519 216 HB3 TYR 36 3HB TYR 36 10.031 4.729 3.762 217 HD1 TYR 36 HD2 TYR 36 8.273 6.638 3.565 218 HD2 TYR 36 HD1 TYR 36 7.861 3.312 6.190 219 HE1 TYR 36 HE2 TYR 36 6.679 7.918 4.928 220 HE2 TYR 36 HE1 TYR 36 6.263 4.585 7.556 221 HH TYR 36 HH TYR 36 4.848 7.481 6.517 222 H LEU 37 H LEU 37 8.455 5.386 0.805 223 HA LEU 37 HA LEU 37 10.578 4.395 -0.874 224 HB2 LEU 37 2HB LEU 37 8.758 6.788 -1.118 225 HB3 LEU 37 3HB LEU 37 9.977 6.375 -2.307 226 HG LEU 37 HG LEU 37 7.920 4.327 -1.591 227 HD11 LEU 37 1HD1 LEU 37 6.423 5.233 -3.310 228 HD12 LEU 37 2HD1 LEU 37 7.465 6.648 -3.460 229 HD13 LEU 37 3HD1 LEU 37 6.610 6.339 -1.949 230 HD21 LEU 37 3HD2 LEU 37 9.766 3.721 -3.072 231 HD22 LEU 37 1HD2 LEU 37 9.342 5.047 -4.154 232 HD23 LEU 37 2HD2 LEU 37 8.228 3.698 -3.935 Start of MODEL 17 1 H1 PCA 1 H1 PCA 1 -10.273 7.114 3.988 2 HA PCA 1 HA PCA 1 -10.436 4.747 3.808 3 HB2 PCA 1 3HB PCA 1 -12.617 4.638 2.814 4 HB3 PCA 1 2HB PCA 1 -11.700 4.319 1.290 5 HG2 PCA 1 3HG PCA 1 -13.692 5.994 2.741 6 HG3 PCA 1 2HG PCA 1 -12.990 6.432 1.162 7 H GLY 2 H GLY 2 -8.810 3.505 3.005 8 HA2 GLY 2 2HA GLY 2 -7.417 2.656 1.270 9 HA3 GLY 2 3HA GLY 2 -7.591 4.183 0.419 10 H CYS 3 H CYS 3 -6.545 3.208 3.681 11 HA CYS 3 HA CYS 3 -3.957 4.512 3.213 12 HB2 CYS 3 2HB CYS 3 -5.787 5.887 4.576 13 HB3 CYS 3 3HB CYS 3 -5.231 4.863 5.895 14 H ALA 4 H ALA 4 -2.502 2.966 3.450 15 HA ALA 4 HA ALA 4 -2.845 0.999 5.618 16 HB1 ALA 4 3HB ALA 4 -2.868 0.275 3.104 17 HB2 ALA 4 1HB ALA 4 -2.004 -0.688 4.303 18 HB3 ALA 4 2HB ALA 4 -1.117 0.420 3.260 19 H PHE 5 H PHE 5 -1.024 0.419 6.836 20 HA PHE 5 HA PHE 5 1.060 2.462 6.947 21 HB2 PHE 5 2HB PHE 5 0.249 0.252 8.845 22 HB3 PHE 5 3HB PHE 5 1.659 1.271 9.111 23 HD1 PHE 5 HD2 PHE 5 1.415 3.598 9.726 24 HD2 PHE 5 HD1 PHE 5 -1.991 1.128 9.086 25 HE1 PHE 5 HE2 PHE 5 -0.006 5.278 10.829 26 HE2 PHE 5 HE1 PHE 5 -3.418 2.803 10.187 27 HZ PHE 5 HZ PHE 5 -2.426 4.881 11.061 28 H GLU 6 H GLU 6 3.329 1.580 7.621 29 HA GLU 6 HA GLU 6 4.363 0.062 5.468 30 HB2 GLU 6 2HB GLU 6 5.569 1.810 6.893 31 HB3 GLU 6 3HB GLU 6 5.802 0.536 8.077 32 HG2 GLU 6 2HG GLU 6 6.951 -0.784 6.270 33 HG3 GLU 6 3HG GLU 6 6.880 0.666 5.271 34 H GLY 7 H GLY 7 4.935 -2.013 5.257 35 HA2 GLY 7 2HA GLY 7 5.323 -4.243 5.824 36 HA3 GLY 7 3HA GLY 7 4.962 -3.856 7.498 37 H GLU 8 H GLU 8 2.455 -2.558 5.917 38 HA GLU 8 HA GLU 8 0.739 -4.869 6.407 39 HB2 GLU 8 2HB GLU 8 0.360 -2.411 7.239 40 HB3 GLU 8 3HB GLU 8 -0.265 -2.152 5.617 41 HG2 GLU 8 2HG GLU 8 -1.938 -3.879 5.964 42 HG3 GLU 8 3HG GLU 8 -1.290 -4.202 7.571 43 H SER 9 H SER 9 -0.934 -5.454 4.876 44 HA SER 9 HA SER 9 0.015 -5.266 2.117 45 HB2 SER 9 2HB SER 9 -2.024 -7.122 3.370 46 HB3 SER 9 3HB SER 9 -1.492 -7.182 1.690 47 HG SER 9 HG SER 9 0.717 -7.294 2.861 48 H CYS 10 H CYS 10 -0.844 -3.790 0.845 49 HA CYS 10 HA CYS 10 -3.680 -3.073 1.197 50 HB2 CYS 10 2HB CYS 10 -3.243 -0.832 0.812 51 HB3 CYS 10 3HB CYS 10 -1.799 -1.315 1.689 52 H ASN 11 H ASN 11 -4.853 -2.520 -0.725 53 HA ASN 11 HA ASN 11 -3.917 -3.982 -3.085 54 HB2 ASN 11 2HB ASN 11 -6.715 -3.016 -2.501 55 HB3 ASN 11 3HB ASN 11 -6.226 -4.124 -3.774 56 HD21 ASN 11 1HD2 ASN 11 -6.466 -3.732 -0.295 57 HD22 ASN 11 2HD2 ASN 11 -6.623 -5.416 0.073 58 H VAL 12 H VAL 12 -3.714 -3.000 -5.056 59 HA VAL 12 HA VAL 12 -3.737 -0.087 -4.986 60 HB VAL 12 HB VAL 12 -2.483 -0.148 -7.104 61 HG11 VAL 12 1HG1 VAL 12 -1.229 -0.110 -5.054 62 HG12 VAL 12 2HG1 VAL 12 -0.405 -1.164 -6.206 63 HG13 VAL 12 3HG1 VAL 12 -1.357 -1.862 -4.894 64 HG21 VAL 12 3HG2 VAL 12 -1.805 -2.119 -8.196 65 HG22 VAL 12 1HG2 VAL 12 -3.520 -2.359 -7.855 66 HG23 VAL 12 2HG2 VAL 12 -2.300 -3.140 -6.846 67 H GLU 13 H GLU 13 -6.182 -1.818 -5.232 68 HA GLU 13 HA GLU 13 -7.220 -0.827 -7.806 69 HB2 GLU 13 2HB GLU 13 -8.103 -3.181 -6.131 70 HB3 GLU 13 3HB GLU 13 -8.890 -2.657 -7.609 71 HG2 GLU 13 2HG GLU 13 -5.991 -3.406 -7.608 72 HG3 GLU 13 3HG GLU 13 -7.246 -4.644 -7.668 73 H PHE 14 H PHE 14 -7.755 -0.986 -4.338 74 HA PHE 14 HA PHE 14 -9.826 1.057 -4.536 75 HB2 PHE 14 2HB PHE 14 -11.229 -0.334 -2.836 76 HB3 PHE 14 3HB PHE 14 -11.302 -0.753 -4.542 77 HD1 PHE 14 HD1 PHE 14 -10.235 -2.766 -5.386 78 HD2 PHE 14 HD2 PHE 14 -10.205 -1.814 -1.245 79 HE1 PHE 14 HE1 PHE 14 -9.495 -5.053 -4.873 80 HE2 PHE 14 HE2 PHE 14 -9.466 -4.099 -0.719 81 HZ PHE 14 HZ PHE 14 -9.095 -5.707 -2.541 82 H TYR 15 H TYR 15 -7.921 -0.995 -2.328 83 HA TYR 15 HA TYR 15 -7.821 1.259 -0.431 84 HB2 TYR 15 2HB TYR 15 -8.950 -0.951 0.284 85 HB3 TYR 15 3HB TYR 15 -7.322 -1.607 0.340 86 HD1 TYR 15 HD1 TYR 15 -5.669 -0.662 1.995 87 HD2 TYR 15 HD2 TYR 15 -9.781 0.450 2.014 88 HE1 TYR 15 HE1 TYR 15 -5.419 0.202 4.279 89 HE2 TYR 15 HE2 TYR 15 -9.537 1.320 4.299 90 HH TYR 15 HH TYR 15 -6.520 1.819 5.768 91 HA PRO 16 HA PRO 16 -3.443 0.581 -1.985 92 HB2 PRO 16 2HB PRO 16 -2.873 3.196 -2.480 93 HB3 PRO 16 3HB PRO 16 -3.709 2.167 -3.660 94 HG2 PRO 16 2HG PRO 16 -4.853 4.173 -1.769 95 HG3 PRO 16 3HG PRO 16 -5.244 3.881 -3.477 96 HD2 PRO 16 2HD PRO 16 -6.768 2.930 -1.447 97 HD3 PRO 16 3HD PRO 16 -6.601 2.097 -3.001 98 H CYS 17 H CYS 17 -1.427 2.150 -1.262 99 HA CYS 17 HA CYS 17 -1.274 1.902 1.568 100 HB2 CYS 17 2HB CYS 17 0.578 3.167 -0.461 101 HB3 CYS 17 3HB CYS 17 0.957 3.050 1.249 102 H CYS 18 H CYS 18 -0.085 4.008 2.694 103 HA CYS 18 HA CYS 18 -2.172 6.005 2.781 104 HB2 CYS 18 2HB CYS 18 0.210 5.368 4.478 105 HB3 CYS 18 3HB CYS 18 -0.559 6.947 4.617 106 HA PRO 19 HA PRO 19 0.201 8.668 0.016 107 HB2 PRO 19 2HB PRO 19 -1.705 10.559 -0.355 108 HB3 PRO 19 3HB PRO 19 -1.775 8.970 -1.141 109 HG2 PRO 19 2HG PRO 19 -3.291 9.983 1.199 110 HG3 PRO 19 3HG PRO 19 -3.804 8.883 -0.094 111 HD2 PRO 19 2HD PRO 19 -3.028 8.094 2.447 112 HD3 PRO 19 3HD PRO 19 -3.061 7.047 1.017 113 H GLY 20 H GLY 20 1.135 10.773 0.045 114 HA2 GLY 20 2HA GLY 20 1.651 12.868 0.991 115 HA3 GLY 20 3HA GLY 20 0.730 12.429 2.420 116 H LEU 21 H LEU 21 2.059 9.839 2.723 117 HA LEU 21 HA LEU 21 4.395 10.747 4.166 118 HB2 LEU 21 2HB LEU 21 3.372 7.922 3.904 119 HB3 LEU 21 3HB LEU 21 4.445 8.545 5.134 120 HG LEU 21 HG LEU 21 1.581 9.457 4.855 121 HD11 LEU 21 1HD1 LEU 21 1.668 7.031 5.226 122 HD12 LEU 21 2HD1 LEU 21 1.005 7.898 6.610 123 HD13 LEU 21 3HD1 LEU 21 2.663 7.297 6.657 124 HD21 LEU 21 3HD2 LEU 21 3.027 10.956 6.127 125 HD22 LEU 21 1HD2 LEU 21 3.549 9.612 7.144 126 HD23 LEU 21 2HD2 LEU 21 1.871 10.155 7.190 127 H GLY 22 H GLY 22 3.825 8.089 1.826 128 HA2 GLY 22 2HA GLY 22 5.352 8.294 -0.208 129 HA3 GLY 22 3HA GLY 22 6.640 8.341 0.982 130 H LEU 23 H LEU 23 3.757 6.285 1.144 131 HA LEU 23 HA LEU 23 5.481 3.937 1.291 132 HB2 LEU 23 2HB LEU 23 2.564 4.435 1.853 133 HB3 LEU 23 3HB LEU 23 3.158 2.804 1.658 134 HG LEU 23 HG LEU 23 2.920 3.391 4.011 135 HD11 LEU 23 1HD1 LEU 23 5.860 3.215 3.462 136 HD12 LEU 23 2HD1 LEU 23 4.761 1.861 3.208 137 HD13 LEU 23 3HD1 LEU 23 4.949 2.554 4.818 138 HD21 LEU 23 3HD2 LEU 23 4.558 5.027 5.006 139 HD22 LEU 23 1HD2 LEU 23 3.219 5.714 4.088 140 HD23 LEU 23 2HD2 LEU 23 4.824 5.615 3.365 141 H THR 24 H THR 24 5.080 2.028 0.076 142 HA THR 24 HA THR 24 3.536 2.272 -2.390 143 HB THR 24 HB THR 24 5.740 3.002 -3.102 144 HG1 THR 24 HG1 THR 24 4.849 1.795 -4.685 145 HG21 THR 24 3HG2 THR 24 7.203 2.099 -1.429 146 HG22 THR 24 1HG2 THR 24 7.701 1.434 -2.984 147 HG23 THR 24 2HG2 THR 24 6.767 0.446 -1.859 148 H CYS 25 H CYS 25 2.431 0.446 -2.819 149 HA CYS 25 HA CYS 25 2.832 -1.863 -1.112 150 HB2 CYS 25 2HB CYS 25 0.646 -0.725 -2.589 151 HB3 CYS 25 3HB CYS 25 0.838 -2.416 -3.027 152 H ILE 26 H ILE 26 3.973 -3.596 -1.627 153 HA ILE 26 HA ILE 26 4.558 -4.124 -4.465 154 HB ILE 26 HB ILE 26 6.454 -4.620 -2.161 155 HG12 ILE 26 2HG1 ILE 26 6.197 -2.205 -2.519 156 HG13 ILE 26 3HG1 ILE 26 7.797 -2.737 -2.993 157 HG21 ILE 26 1HG2 ILE 26 7.104 -4.714 -5.099 158 HG22 ILE 26 2HG2 ILE 26 6.649 -6.134 -4.158 159 HG23 ILE 26 3HG2 ILE 26 8.108 -5.230 -3.742 160 HD11 ILE 26 3HD1 ILE 26 6.970 -1.092 -4.555 161 HD12 ILE 26 1HD1 ILE 26 5.510 -2.043 -4.838 162 HD13 ILE 26 2HD1 ILE 26 7.077 -2.656 -5.364 163 HA PRO 27 HA PRO 27 4.585 -5.511 -5.986 164 HB2 PRO 27 2HB PRO 27 2.730 -6.935 -7.341 165 HB3 PRO 27 3HB PRO 27 4.315 -7.596 -6.902 166 HG2 PRO 27 2HG PRO 27 1.674 -8.023 -5.592 167 HG3 PRO 27 3HG PRO 27 2.962 -9.194 -5.938 168 HD2 PRO 27 2HD PRO 27 2.588 -8.086 -3.482 169 HD3 PRO 27 3HD PRO 27 4.173 -8.613 -4.080 170 H GLY 28 H GLY 28 1.467 -5.943 -4.400 171 HA2 GLY 28 2HA GLY 28 -0.021 -4.143 -3.985 172 HA3 GLY 28 3HA GLY 28 0.615 -3.317 -5.399 173 H ASN 29 H ASN 29 0.345 -5.892 -6.985 174 HA ASN 29 HA ASN 29 -2.579 -5.758 -7.343 175 HB2 ASN 29 2HB ASN 29 -2.137 -6.336 -9.761 176 HB3 ASN 29 3HB ASN 29 -1.577 -4.747 -9.263 177 HD21 ASN 29 1HD2 ASN 29 0.637 -4.353 -9.113 178 HD22 ASN 29 2HD2 ASN 29 1.805 -5.387 -9.857 179 HA PRO 30 HA PRO 30 -4.452 -6.872 -7.222 180 HB2 PRO 30 2HB PRO 30 -5.614 -8.299 -5.200 181 HB3 PRO 30 3HB PRO 30 -5.744 -8.747 -6.911 182 HG2 PRO 30 2HG PRO 30 -3.950 -9.853 -4.805 183 HG3 PRO 30 3HG PRO 30 -4.850 -10.697 -6.080 184 HD2 PRO 30 2HD PRO 30 -2.210 -10.187 -6.287 185 HD3 PRO 30 3HD PRO 30 -3.286 -10.213 -7.697 186 H ASP 31 H ASP 31 -2.282 -7.897 -4.653 187 HA ASP 31 HA ASP 31 -2.408 -5.280 -3.426 188 HB2 ASP 31 2HB ASP 31 -2.775 -6.230 -1.113 189 HB3 ASP 31 3HB ASP 31 -4.192 -6.245 -2.153 190 H GLY 32 H GLY 32 -0.663 -4.837 -2.023 191 HA2 GLY 32 2HA GLY 32 1.451 -6.871 -1.856 192 HA3 GLY 32 3HA GLY 32 1.821 -5.331 -2.617 193 H THR 33 H THR 33 3.484 -5.409 -0.841 194 HA THR 33 HA THR 33 2.424 -4.620 1.769 195 HB THR 33 HB THR 33 5.042 -4.671 2.243 196 HG1 THR 33 HG1 THR 33 5.755 -6.643 0.980 197 HG21 THR 33 3HG2 THR 33 3.299 -7.126 2.045 198 HG22 THR 33 1HG2 THR 33 3.370 -6.006 3.407 199 HG23 THR 33 2HG2 THR 33 4.776 -6.991 3.000 200 H CYS 34 H CYS 34 2.620 -2.672 2.614 201 HA CYS 34 HA CYS 34 3.430 -0.496 0.906 202 HB2 CYS 34 2HB CYS 34 2.235 -0.621 3.675 203 HB3 CYS 34 3HB CYS 34 2.690 0.897 2.908 204 H TYR 35 H TYR 35 5.481 -0.093 0.678 205 HA TYR 35 HA TYR 35 7.259 -0.089 3.024 206 HB2 TYR 35 2HB TYR 35 7.786 -0.653 0.114 207 HB3 TYR 35 3HB TYR 35 9.089 -0.191 1.202 208 HD1 TYR 35 HD1 TYR 35 9.400 -1.623 3.324 209 HD2 TYR 35 HD2 TYR 35 7.142 -2.896 -0.055 210 HE1 TYR 35 HE1 TYR 35 9.628 -3.948 4.059 211 HE2 TYR 35 HE2 TYR 35 7.359 -5.229 0.679 212 HH TYR 35 HH TYR 35 8.861 -6.592 2.072 213 H TYR 36 H TYR 36 8.676 1.632 3.338 214 HA TYR 36 HA TYR 36 7.698 4.175 2.389 215 HB2 TYR 36 2HB TYR 36 9.479 3.242 4.516 216 HB3 TYR 36 3HB TYR 36 10.025 4.733 3.758 217 HD1 TYR 36 HD2 TYR 36 8.274 6.645 3.563 218 HD2 TYR 36 HD1 TYR 36 7.846 3.314 6.178 219 HE1 TYR 36 HE2 TYR 36 6.679 7.924 4.923 220 HE2 TYR 36 HE1 TYR 36 6.244 4.586 7.542 221 HH TYR 36 HH TYR 36 5.677 6.931 8.009 222 H LEU 37 H LEU 37 8.453 5.389 0.802 223 HA LEU 37 HA LEU 37 10.579 4.400 -0.876 224 HB2 LEU 37 2HB LEU 37 8.757 6.791 -1.122 225 HB3 LEU 37 3HB LEU 37 9.976 6.378 -2.310 226 HG LEU 37 HG LEU 37 7.921 4.328 -1.593 227 HD11 LEU 37 1HD1 LEU 37 7.466 6.647 -3.466 228 HD12 LEU 37 2HD1 LEU 37 6.610 6.338 -1.954 229 HD13 LEU 37 3HD1 LEU 37 6.426 5.230 -3.315 230 HD21 LEU 37 3HD2 LEU 37 8.232 3.696 -3.937 231 HD22 LEU 37 1HD2 LEU 37 9.769 3.722 -3.073 232 HD23 LEU 37 2HD2 LEU 37 9.345 5.047 -4.157 Start of MODEL 18 1 H1 PCA 1 H1 PCA 1 -11.186 3.092 2.988 2 HA PCA 1 HA PCA 1 -11.383 5.751 3.053 3 HB2 PCA 1 3HB PCA 1 -10.681 6.039 5.330 4 HB3 PCA 1 2HB PCA 1 -9.018 6.028 4.623 5 HG2 PCA 1 3HG PCA 1 -10.950 4.852 6.562 6 HG3 PCA 1 2HG PCA 1 -9.375 4.118 6.162 7 H GLY 2 H GLY 2 -8.809 3.293 3.123 8 HA2 GLY 2 2HA GLY 2 -7.453 2.742 1.260 9 HA3 GLY 2 3HA GLY 2 -7.743 4.344 0.601 10 H CYS 3 H CYS 3 -6.546 3.215 3.758 11 HA CYS 3 HA CYS 3 -3.974 4.527 3.251 12 HB2 CYS 3 2HB CYS 3 -5.769 5.912 4.650 13 HB3 CYS 3 3HB CYS 3 -5.193 4.886 5.957 14 H ALA 4 H ALA 4 -2.518 2.976 3.470 15 HA ALA 4 HA ALA 4 -2.856 0.991 5.623 16 HB1 ALA 4 3HB ALA 4 -1.107 0.446 3.272 17 HB2 ALA 4 1HB ALA 4 -2.856 0.308 3.095 18 HB3 ALA 4 2HB ALA 4 -2.009 -0.675 4.289 19 H PHE 5 H PHE 5 -1.040 0.395 6.838 20 HA PHE 5 HA PHE 5 1.044 2.439 6.990 21 HB2 PHE 5 2HB PHE 5 -0.382 1.451 8.970 22 HB3 PHE 5 3HB PHE 5 0.798 0.149 8.917 23 HD1 PHE 5 HD1 PHE 5 0.338 3.759 9.509 24 HD2 PHE 5 HD2 PHE 5 3.000 0.445 9.757 25 HE1 PHE 5 HE1 PHE 5 1.865 5.094 10.899 26 HE2 PHE 5 HE2 PHE 5 4.532 1.776 11.146 27 HZ PHE 5 HZ PHE 5 3.966 4.104 11.720 28 H GLU 6 H GLU 6 3.315 1.597 7.593 29 HA GLU 6 HA GLU 6 4.340 0.056 5.465 30 HB2 GLU 6 2HB GLU 6 5.549 1.804 6.886 31 HB3 GLU 6 3HB GLU 6 5.786 0.529 8.070 32 HG2 GLU 6 2HG GLU 6 6.926 -0.790 6.254 33 HG3 GLU 6 3HG GLU 6 6.858 0.664 5.261 34 H GLY 7 H GLY 7 4.918 -2.017 5.254 35 HA2 GLY 7 2HA GLY 7 5.310 -4.247 5.824 36 HA3 GLY 7 3HA GLY 7 4.944 -3.859 7.497 37 H GLU 8 H GLU 8 2.439 -2.566 5.912 38 HA GLU 8 HA GLU 8 0.725 -4.881 6.395 39 HB2 GLU 8 2HB GLU 8 0.339 -2.427 7.232 40 HB3 GLU 8 3HB GLU 8 -0.278 -2.162 5.609 41 HG2 GLU 8 2HG GLU 8 -1.954 -3.884 5.939 42 HG3 GLU 8 3HG GLU 8 -1.313 -4.222 7.547 43 H SER 9 H SER 9 -0.947 -5.461 4.859 44 HA SER 9 HA SER 9 0.009 -5.270 2.102 45 HB2 SER 9 2HB SER 9 -0.421 -7.518 3.131 46 HB3 SER 9 3HB SER 9 -2.131 -7.096 3.223 47 HG SER 9 HG SER 9 -0.675 -7.020 0.798 48 H CYS 10 H CYS 10 -0.842 -3.778 0.841 49 HA CYS 10 HA CYS 10 -3.678 -3.055 1.191 50 HB2 CYS 10 2HB CYS 10 -3.232 -0.814 0.813 51 HB3 CYS 10 3HB CYS 10 -1.789 -1.305 1.690 52 H ASN 11 H ASN 11 -4.861 -2.528 -0.717 53 HA ASN 11 HA ASN 11 -3.923 -3.971 -3.087 54 HB2 ASN 11 2HB ASN 11 -6.720 -3.002 -2.500 55 HB3 ASN 11 3HB ASN 11 -6.232 -4.109 -3.774 56 HD21 ASN 11 1HD2 ASN 11 -6.463 -3.721 -0.292 57 HD22 ASN 11 2HD2 ASN 11 -6.626 -5.404 0.074 58 H VAL 12 H VAL 12 -3.712 -2.983 -5.051 59 HA VAL 12 HA VAL 12 -3.741 -0.066 -4.981 60 HB VAL 12 HB VAL 12 -2.462 -0.117 -7.071 61 HG11 VAL 12 1HG1 VAL 12 -1.369 -1.912 -4.909 62 HG12 VAL 12 2HG1 VAL 12 -1.217 -0.157 -5.009 63 HG13 VAL 12 3HG1 VAL 12 -0.405 -1.181 -6.195 64 HG21 VAL 12 3HG2 VAL 12 -2.363 -3.118 -6.878 65 HG22 VAL 12 1HG2 VAL 12 -1.791 -2.085 -8.189 66 HG23 VAL 12 2HG2 VAL 12 -3.524 -2.273 -7.901 67 H GLU 13 H GLU 13 -6.169 -1.834 -5.243 68 HA GLU 13 HA GLU 13 -7.207 -0.851 -7.819 69 HB2 GLU 13 2HB GLU 13 -8.101 -3.196 -6.135 70 HB3 GLU 13 3HB GLU 13 -8.861 -2.689 -7.633 71 HG2 GLU 13 2HG GLU 13 -5.962 -3.455 -7.553 72 HG3 GLU 13 3HG GLU 13 -7.230 -4.676 -7.656 73 H PHE 14 H PHE 14 -7.724 -0.960 -4.350 74 HA PHE 14 HA PHE 14 -9.802 1.069 -4.562 75 HB2 PHE 14 2HB PHE 14 -11.216 -0.309 -2.861 76 HB3 PHE 14 3HB PHE 14 -11.283 -0.736 -4.566 77 HD1 PHE 14 HD2 PHE 14 -10.226 -2.758 -5.395 78 HD2 PHE 14 HD1 PHE 14 -10.200 -1.785 -1.259 79 HE1 PHE 14 HE2 PHE 14 -9.503 -5.047 -4.867 80 HE2 PHE 14 HE1 PHE 14 -9.468 -4.069 -0.720 81 HZ PHE 14 HZ PHE 14 -9.108 -5.690 -2.531 82 H TYR 15 H TYR 15 -7.913 -0.981 -2.336 83 HA TYR 15 HA TYR 15 -7.811 1.281 -0.447 84 HB2 TYR 15 2HB TYR 15 -8.950 -0.922 0.273 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.584 0.333 86 HD1 TYR 15 HD1 TYR 15 -5.674 -0.653 1.991 87 HD2 TYR 15 HD2 TYR 15 -9.775 0.497 1.994 88 HE1 TYR 15 HE1 TYR 15 -5.423 0.213 4.274 89 HE2 TYR 15 HE2 TYR 15 -9.531 1.370 4.278 90 HH TYR 15 HH TYR 15 -8.067 1.044 6.228 91 HA PRO 16 HA PRO 16 -3.430 0.584 -1.985 92 HB2 PRO 16 2HB PRO 16 -2.852 3.196 -2.487 93 HB3 PRO 16 3HB PRO 16 -3.687 2.166 -3.665 94 HG2 PRO 16 2HG PRO 16 -4.829 4.180 -1.784 95 HG3 PRO 16 3HG PRO 16 -5.217 3.887 -3.492 96 HD2 PRO 16 2HD PRO 16 -6.750 2.945 -1.465 97 HD3 PRO 16 3HD PRO 16 -6.581 2.106 -3.016 98 H CYS 17 H CYS 17 -1.414 2.158 -1.264 99 HA CYS 17 HA CYS 17 -1.262 1.912 1.565 100 HB2 CYS 17 2HB CYS 17 0.588 3.173 -0.465 101 HB3 CYS 17 3HB CYS 17 0.968 3.062 1.247 102 H CYS 18 H CYS 18 -0.075 4.015 2.692 103 HA CYS 18 HA CYS 18 -2.162 6.010 2.786 104 HB2 CYS 18 2HB CYS 18 0.233 5.382 4.467 105 HB3 CYS 18 3HB CYS 18 -0.541 6.957 4.611 106 HA PRO 19 HA PRO 19 0.185 8.672 -0.002 107 HB2 PRO 19 2HB PRO 19 -1.729 10.554 -0.369 108 HB3 PRO 19 3HB PRO 19 -1.798 8.963 -1.148 109 HG2 PRO 19 2HG PRO 19 -3.305 9.977 1.197 110 HG3 PRO 19 3HG PRO 19 -3.820 8.871 -0.091 111 HD2 PRO 19 2HD PRO 19 -3.029 8.094 2.449 112 HD3 PRO 19 3HD PRO 19 -3.065 7.041 1.022 113 H GLY 20 H GLY 20 1.135 10.761 0.027 114 HA2 GLY 20 2HA GLY 20 1.644 12.868 0.958 115 HA3 GLY 20 3HA GLY 20 0.725 12.435 2.390 116 H LEU 21 H LEU 21 2.060 9.846 2.703 117 HA LEU 21 HA LEU 21 4.395 10.767 4.139 118 HB2 LEU 21 2HB LEU 21 3.380 7.939 3.893 119 HB3 LEU 21 3HB LEU 21 4.452 8.570 5.118 120 HG LEU 21 HG LEU 21 1.585 9.472 4.837 121 HD11 LEU 21 1HD1 LEU 21 1.016 7.921 6.602 122 HD12 LEU 21 2HD1 LEU 21 2.676 7.330 6.655 123 HD13 LEU 21 3HD1 LEU 21 1.684 7.048 5.224 124 HD21 LEU 21 3HD2 LEU 21 3.560 9.652 7.118 125 HD22 LEU 21 1HD2 LEU 21 1.877 10.182 7.170 126 HD23 LEU 21 2HD2 LEU 21 3.023 10.986 6.097 127 H GLY 22 H GLY 22 3.837 8.087 1.821 128 HA2 GLY 22 2HA GLY 22 5.367 8.294 -0.217 129 HA3 GLY 22 3HA GLY 22 6.650 8.340 0.979 130 H LEU 23 H LEU 23 3.766 6.290 1.141 131 HA LEU 23 HA LEU 23 5.486 3.939 1.288 132 HB2 LEU 23 2HB LEU 23 2.572 4.442 1.856 133 HB3 LEU 23 3HB LEU 23 3.163 2.810 1.665 134 HG LEU 23 HG LEU 23 2.930 3.408 4.016 135 HD11 LEU 23 1HD1 LEU 23 4.959 2.569 4.821 136 HD12 LEU 23 2HD1 LEU 23 5.868 3.219 3.461 137 HD13 LEU 23 3HD1 LEU 23 4.765 1.867 3.216 138 HD21 LEU 23 3HD2 LEU 23 4.583 5.041 5.001 139 HD22 LEU 23 1HD2 LEU 23 3.237 5.728 4.092 140 HD23 LEU 23 2HD2 LEU 23 4.837 5.625 3.355 141 H THR 24 H THR 24 5.083 2.030 0.074 142 HA THR 24 HA THR 24 3.531 2.275 -2.387 143 HB THR 24 HB THR 24 5.735 3.004 -3.104 144 HG1 THR 24 HG1 THR 24 4.889 0.439 -3.915 145 HG21 THR 24 3HG2 THR 24 7.692 1.431 -2.996 146 HG22 THR 24 1HG2 THR 24 6.760 0.444 -1.868 147 HG23 THR 24 2HG2 THR 24 7.202 2.096 -1.437 148 H CYS 25 H CYS 25 2.435 0.445 -2.830 149 HA CYS 25 HA CYS 25 2.833 -1.865 -1.121 150 HB2 CYS 25 2HB CYS 25 0.646 -0.729 -2.603 151 HB3 CYS 25 3HB CYS 25 0.840 -2.423 -3.034 152 H ILE 26 H ILE 26 3.973 -3.595 -1.634 153 HA ILE 26 HA ILE 26 4.563 -4.128 -4.471 154 HB ILE 26 HB ILE 26 6.457 -4.608 -2.161 155 HG12 ILE 26 2HG1 ILE 26 6.191 -2.195 -2.538 156 HG13 ILE 26 3HG1 ILE 26 7.796 -2.729 -2.998 157 HG21 ILE 26 1HG2 ILE 26 6.681 -6.146 -4.115 158 HG22 ILE 26 2HG2 ILE 26 8.123 -5.194 -3.755 159 HG23 ILE 26 3HG2 ILE 26 7.080 -4.741 -5.105 160 HD11 ILE 26 3HD1 ILE 26 7.094 -2.667 -5.373 161 HD12 ILE 26 1HD1 ILE 26 6.977 -1.097 -4.577 162 HD13 ILE 26 2HD1 ILE 26 5.522 -2.052 -4.863 163 HA PRO 27 HA PRO 27 4.617 -5.530 -5.983 164 HB2 PRO 27 2HB PRO 27 2.787 -6.977 -7.349 165 HB3 PRO 27 3HB PRO 27 4.369 -7.626 -6.883 166 HG2 PRO 27 2HG PRO 27 1.714 -8.053 -5.604 167 HG3 PRO 27 3HG PRO 27 3.011 -9.222 -5.922 168 HD2 PRO 27 2HD PRO 27 2.601 -8.091 -3.481 169 HD3 PRO 27 3HD PRO 27 4.194 -8.620 -4.053 170 H GLY 28 H GLY 28 1.478 -5.971 -4.438 171 HA2 GLY 28 2HA GLY 28 -0.023 -4.169 -4.057 172 HA3 GLY 28 3HA GLY 28 0.624 -3.361 -5.476 173 H ASN 29 H ASN 29 0.381 -5.984 -7.006 174 HA ASN 29 HA ASN 29 -2.532 -5.824 -7.467 175 HB2 ASN 29 2HB ASN 29 -0.272 -6.359 -9.406 176 HB3 ASN 29 3HB ASN 29 -1.965 -6.619 -9.809 177 HD21 ASN 29 1HD2 ASN 29 -3.331 -4.851 -10.042 178 HD22 ASN 29 2HD2 ASN 29 -2.725 -3.247 -10.256 179 HA PRO 30 HA PRO 30 -4.398 -6.853 -7.252 180 HB2 PRO 30 2HB PRO 30 -5.691 -8.178 -5.251 181 HB3 PRO 30 3HB PRO 30 -5.753 -8.692 -6.947 182 HG2 PRO 30 2HG PRO 30 -4.091 -9.758 -4.716 183 HG3 PRO 30 3HG PRO 30 -4.960 -10.632 -5.995 184 HD2 PRO 30 2HD PRO 30 -2.293 -10.191 -6.094 185 HD3 PRO 30 3HD PRO 30 -3.305 -10.279 -7.549 186 H ASP 31 H ASP 31 -2.298 -7.876 -4.642 187 HA ASP 31 HA ASP 31 -2.397 -5.244 -3.447 188 HB2 ASP 31 2HB ASP 31 -2.783 -6.165 -1.127 189 HB3 ASP 31 3HB ASP 31 -4.196 -6.177 -2.171 190 H GLY 32 H GLY 32 -0.648 -4.798 -2.059 191 HA2 GLY 32 2HA GLY 32 1.445 -6.855 -1.872 192 HA3 GLY 32 3HA GLY 32 1.830 -5.314 -2.626 193 H THR 33 H THR 33 3.483 -5.399 -0.847 194 HA THR 33 HA THR 33 2.422 -4.618 1.764 195 HB THR 33 HB THR 33 5.042 -4.670 2.237 196 HG1 THR 33 HG1 THR 33 5.666 -6.706 0.939 197 HG21 THR 33 3HG2 THR 33 4.775 -6.991 2.988 198 HG22 THR 33 1HG2 THR 33 3.298 -7.123 2.034 199 HG23 THR 33 2HG2 THR 33 3.369 -6.007 3.398 200 H CYS 34 H CYS 34 2.621 -2.670 2.616 201 HA CYS 34 HA CYS 34 3.433 -0.492 0.911 202 HB2 CYS 34 2HB CYS 34 2.236 -0.621 3.677 203 HB3 CYS 34 3HB CYS 34 2.696 0.898 2.918 204 H TYR 35 H TYR 35 5.483 -0.091 0.682 205 HA TYR 35 HA TYR 35 7.262 -0.091 3.027 206 HB2 TYR 35 2HB TYR 35 7.787 -0.652 0.116 207 HB3 TYR 35 3HB TYR 35 9.092 -0.191 1.203 208 HD1 TYR 35 HD1 TYR 35 9.409 -1.626 3.321 209 HD2 TYR 35 HD2 TYR 35 7.137 -2.894 -0.052 210 HE1 TYR 35 HE1 TYR 35 9.636 -3.953 4.051 211 HE2 TYR 35 HE2 TYR 35 7.356 -5.227 0.678 212 HH TYR 35 HH TYR 35 8.859 -6.594 2.064 213 H TYR 36 H TYR 36 8.686 1.628 3.340 214 HA TYR 36 HA TYR 36 7.707 4.174 2.395 215 HB2 TYR 36 2HB TYR 36 9.485 3.236 4.523 216 HB3 TYR 36 3HB TYR 36 10.035 4.727 3.767 217 HD1 TYR 36 HD1 TYR 36 8.275 6.636 3.562 218 HD2 TYR 36 HD2 TYR 36 7.866 3.317 6.196 219 HE1 TYR 36 HE1 TYR 36 6.682 7.919 4.922 220 HE2 TYR 36 HE2 TYR 36 6.266 4.592 7.559 221 HH TYR 36 HH TYR 36 4.851 7.488 6.512 222 H LEU 37 H LEU 37 8.462 5.384 0.807 223 HA LEU 37 HA LEU 37 10.589 4.395 -0.868 224 HB2 LEU 37 2HB LEU 37 8.767 6.786 -1.116 225 HB3 LEU 37 3HB LEU 37 9.987 6.375 -2.303 226 HG LEU 37 HG LEU 37 7.932 4.324 -1.588 227 HD11 LEU 37 1HD1 LEU 37 6.620 6.332 -1.950 228 HD12 LEU 37 2HD1 LEU 37 6.438 5.227 -3.313 229 HD13 LEU 37 3HD1 LEU 37 7.478 6.644 -3.459 230 HD21 LEU 37 3HD2 LEU 37 9.781 3.718 -3.066 231 HD22 LEU 37 1HD2 LEU 37 9.359 5.044 -4.150 232 HD23 LEU 37 2HD2 LEU 37 8.245 3.694 -3.933 Start of MODEL 19 1 H1 PCA 1 H1 PCA 1 -11.043 6.348 3.445 2 HA PCA 1 HA PCA 1 -10.366 3.872 4.164 3 HB2 PCA 1 3HB PCA 1 -12.398 2.801 3.465 4 HB3 PCA 1 2HB PCA 1 -11.582 2.722 1.855 5 HG2 PCA 1 3HG PCA 1 -13.935 3.599 3.456 6 HG3 PCA 1 2HG PCA 1 -13.627 4.121 1.780 7 H GLY 2 H GLY 2 -8.465 3.288 3.208 8 HA2 GLY 2 2HA GLY 2 -7.332 2.900 0.997 9 HA3 GLY 2 3HA GLY 2 -7.763 4.562 0.635 10 H CYS 3 H CYS 3 -6.506 3.197 3.661 11 HA CYS 3 HA CYS 3 -3.942 4.546 3.245 12 HB2 CYS 3 2HB CYS 3 -5.768 5.913 4.626 13 HB3 CYS 3 3HB CYS 3 -5.210 4.874 5.932 14 H ALA 4 H ALA 4 -2.501 2.979 3.457 15 HA ALA 4 HA ALA 4 -2.858 0.987 5.601 16 HB1 ALA 4 3HB ALA 4 -1.064 0.448 3.285 17 HB2 ALA 4 1HB ALA 4 -2.809 0.321 3.059 18 HB3 ALA 4 2HB ALA 4 -2.002 -0.672 4.271 19 H PHE 5 H PHE 5 -1.033 0.360 6.809 20 HA PHE 5 HA PHE 5 1.034 2.420 7.008 21 HB2 PHE 5 2HB PHE 5 -0.405 1.402 8.966 22 HB3 PHE 5 3HB PHE 5 0.786 0.109 8.909 23 HD1 PHE 5 HD1 PHE 5 0.288 3.703 9.544 24 HD2 PHE 5 HD2 PHE 5 2.986 0.417 9.756 25 HE1 PHE 5 HE1 PHE 5 1.797 5.036 10.959 26 HE2 PHE 5 HE2 PHE 5 4.498 1.745 11.170 27 HZ PHE 5 HZ PHE 5 3.905 4.057 11.774 28 H GLU 6 H GLU 6 3.305 1.591 7.601 29 HA GLU 6 HA GLU 6 4.341 0.063 5.470 30 HB2 GLU 6 2HB GLU 6 5.539 1.813 6.892 31 HB3 GLU 6 3HB GLU 6 5.779 0.542 8.078 32 HG2 GLU 6 2HG GLU 6 6.937 -0.773 6.276 33 HG3 GLU 6 3HG GLU 6 6.856 0.672 5.271 34 H GLY 7 H GLY 7 4.917 -2.008 5.250 35 HA2 GLY 7 2HA GLY 7 5.321 -4.239 5.811 36 HA3 GLY 7 3HA GLY 7 4.961 -3.858 7.487 37 H GLU 8 H GLU 8 2.446 -2.569 5.905 38 HA GLU 8 HA GLU 8 0.741 -4.889 6.397 39 HB2 GLU 8 2HB GLU 8 0.350 -2.438 7.239 40 HB3 GLU 8 3HB GLU 8 -0.272 -2.170 5.618 41 HG2 GLU 8 2HG GLU 8 -1.946 -3.894 5.949 42 HG3 GLU 8 3HG GLU 8 -1.297 -4.241 7.551 43 H SER 9 H SER 9 -0.943 -5.463 4.866 44 HA SER 9 HA SER 9 0.006 -5.276 2.107 45 HB2 SER 9 2HB SER 9 -0.428 -7.521 3.139 46 HB3 SER 9 3HB SER 9 -2.136 -7.096 3.233 47 HG SER 9 HG SER 9 -2.219 -7.010 1.007 48 H CYS 10 H CYS 10 -0.848 -3.796 0.836 49 HA CYS 10 HA CYS 10 -3.680 -3.061 1.192 50 HB2 CYS 10 2HB CYS 10 -3.231 -0.822 0.820 51 HB3 CYS 10 3HB CYS 10 -1.784 -1.315 1.688 52 H ASN 11 H ASN 11 -4.863 -2.536 -0.713 53 HA ASN 11 HA ASN 11 -3.927 -3.975 -3.086 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.006 -2.497 55 HB3 ASN 11 3HB ASN 11 -6.236 -4.114 -3.770 56 HD21 ASN 11 1HD2 ASN 11 -6.463 -3.722 -0.289 57 HD22 ASN 11 2HD2 ASN 11 -6.627 -5.403 0.079 58 H VAL 12 H VAL 12 -3.717 -2.983 -5.049 59 HA VAL 12 HA VAL 12 -3.750 -0.066 -4.971 60 HB VAL 12 HB VAL 12 -2.467 -0.110 -7.059 61 HG11 VAL 12 1HG1 VAL 12 -1.236 -0.161 -4.982 62 HG12 VAL 12 2HG1 VAL 12 -0.408 -1.155 -6.184 63 HG13 VAL 12 3HG1 VAL 12 -1.364 -1.919 -4.914 64 HG21 VAL 12 3HG2 VAL 12 -1.793 -2.073 -8.183 65 HG22 VAL 12 1HG2 VAL 12 -3.525 -2.264 -7.897 66 HG23 VAL 12 2HG2 VAL 12 -2.362 -3.111 -6.875 67 H GLU 13 H GLU 13 -6.174 -1.838 -5.242 68 HA GLU 13 HA GLU 13 -7.211 -0.845 -7.813 69 HB2 GLU 13 2HB GLU 13 -8.102 -3.202 -6.145 70 HB3 GLU 13 3HB GLU 13 -8.859 -2.689 -7.642 71 HG2 GLU 13 2HG GLU 13 -5.958 -3.446 -7.560 72 HG3 GLU 13 3HG GLU 13 -7.222 -4.672 -7.672 73 H PHE 14 H PHE 14 -7.732 -0.976 -4.348 74 HA PHE 14 HA PHE 14 -9.816 1.049 -4.551 75 HB2 PHE 14 2HB PHE 14 -11.227 -0.343 -2.858 76 HB3 PHE 14 3HB PHE 14 -11.292 -0.761 -4.564 77 HD1 PHE 14 HD2 PHE 14 -10.231 -2.776 -5.405 78 HD2 PHE 14 HD1 PHE 14 -10.204 -1.823 -1.263 79 HE1 PHE 14 HE2 PHE 14 -9.501 -5.066 -4.889 80 HE2 PHE 14 HE1 PHE 14 -9.466 -4.109 -0.737 81 HZ PHE 14 HZ PHE 14 -9.103 -5.720 -2.556 82 H TYR 15 H TYR 15 -7.919 -1.003 -2.336 83 HA TYR 15 HA TYR 15 -7.834 1.247 -0.432 84 HB2 TYR 15 2HB TYR 15 -8.955 -0.968 0.275 85 HB3 TYR 15 3HB TYR 15 -7.326 -1.622 0.325 86 HD1 TYR 15 HD1 TYR 15 -5.662 -0.648 1.966 87 HD2 TYR 15 HD2 TYR 15 -9.795 0.383 2.030 88 HE1 TYR 15 HE1 TYR 15 -5.410 0.198 4.257 89 HE2 TYR 15 HE2 TYR 15 -9.548 1.237 4.322 90 HH TYR 15 HH TYR 15 -8.054 0.932 6.250 91 HA PRO 16 HA PRO 16 -3.447 0.597 -1.977 92 HB2 PRO 16 2HB PRO 16 -2.890 3.216 -2.464 93 HB3 PRO 16 3HB PRO 16 -3.718 2.187 -3.648 94 HG2 PRO 16 2HG PRO 16 -4.876 4.179 -1.752 95 HG3 PRO 16 3HG PRO 16 -5.261 3.894 -3.462 96 HD2 PRO 16 2HD PRO 16 -6.786 2.926 -1.441 97 HD3 PRO 16 3HD PRO 16 -6.610 2.098 -2.997 98 H CYS 17 H CYS 17 -1.439 2.166 -1.248 99 HA CYS 17 HA CYS 17 -1.288 1.916 1.582 100 HB2 CYS 17 2HB CYS 17 0.567 3.190 -0.440 101 HB3 CYS 17 3HB CYS 17 0.945 3.056 1.269 102 H CYS 18 H CYS 18 -0.082 4.029 2.694 103 HA CYS 18 HA CYS 18 -2.169 6.028 2.791 104 HB2 CYS 18 2HB CYS 18 0.226 5.395 4.475 105 HB3 CYS 18 3HB CYS 18 -0.553 6.967 4.622 106 HA PRO 19 HA PRO 19 0.202 8.679 0.012 107 HB2 PRO 19 2HB PRO 19 -1.699 10.573 -0.359 108 HB3 PRO 19 3HB PRO 19 -1.777 8.983 -1.139 109 HG2 PRO 19 2HG PRO 19 -3.281 10.007 1.204 110 HG3 PRO 19 3HG PRO 19 -3.801 8.905 -0.085 111 HD2 PRO 19 2HD PRO 19 -3.019 8.122 2.456 112 HD3 PRO 19 3HD PRO 19 -3.061 7.070 1.028 113 H GLY 20 H GLY 20 1.145 10.778 0.034 114 HA2 GLY 20 2HA GLY 20 1.668 12.877 0.972 115 HA3 GLY 20 3HA GLY 20 0.749 12.445 2.405 116 H LEU 21 H LEU 21 2.074 9.852 2.712 117 HA LEU 21 HA LEU 21 4.414 10.760 4.146 118 HB2 LEU 21 2HB LEU 21 3.386 7.937 3.897 119 HB3 LEU 21 3HB LEU 21 4.464 8.561 5.120 120 HG LEU 21 HG LEU 21 1.600 9.477 4.846 121 HD11 LEU 21 1HD1 LEU 21 1.678 7.055 5.224 122 HD12 LEU 21 2HD1 LEU 21 1.030 7.926 6.614 123 HD13 LEU 21 3HD1 LEU 21 2.685 7.318 6.648 124 HD21 LEU 21 3HD2 LEU 21 1.898 10.179 7.181 125 HD22 LEU 21 1HD2 LEU 21 3.049 10.979 6.110 126 HD23 LEU 21 2HD2 LEU 21 3.577 9.638 7.127 127 H GLY 22 H GLY 22 3.833 8.100 1.812 128 HA2 GLY 22 2HA GLY 22 5.358 8.296 -0.225 129 HA3 GLY 22 3HA GLY 22 6.647 8.343 0.963 130 H LEU 23 H LEU 23 3.762 6.294 1.140 131 HA LEU 23 HA LEU 23 5.480 3.942 1.289 132 HB2 LEU 23 2HB LEU 23 2.565 4.450 1.849 133 HB3 LEU 23 3HB LEU 23 3.152 2.816 1.657 134 HG LEU 23 HG LEU 23 2.913 3.411 4.009 135 HD11 LEU 23 1HD1 LEU 23 5.854 3.216 3.460 136 HD12 LEU 23 2HD1 LEU 23 4.746 1.868 3.211 137 HD13 LEU 23 3HD1 LEU 23 4.937 2.566 4.819 138 HD21 LEU 23 3HD2 LEU 23 4.824 5.627 3.352 139 HD22 LEU 23 1HD2 LEU 23 4.572 5.039 4.997 140 HD23 LEU 23 2HD2 LEU 23 3.226 5.729 4.092 141 H THR 24 H THR 24 5.078 2.031 0.075 142 HA THR 24 HA THR 24 3.532 2.274 -2.390 143 HB THR 24 HB THR 24 5.738 3.005 -3.103 144 HG1 THR 24 HG1 THR 24 4.547 0.762 -4.031 145 HG21 THR 24 3HG2 THR 24 6.761 0.447 -1.861 146 HG22 THR 24 1HG2 THR 24 7.204 2.100 -1.434 147 HG23 THR 24 2HG2 THR 24 7.696 1.431 -2.990 148 H CYS 25 H CYS 25 2.434 0.447 -2.827 149 HA CYS 25 HA CYS 25 2.832 -1.864 -1.120 150 HB2 CYS 25 2HB CYS 25 0.646 -0.727 -2.600 151 HB3 CYS 25 3HB CYS 25 0.840 -2.419 -3.037 152 H ILE 26 H ILE 26 3.974 -3.592 -1.632 153 HA ILE 26 HA ILE 26 4.565 -4.126 -4.467 154 HB ILE 26 HB ILE 26 6.455 -4.608 -2.155 155 HG12 ILE 26 2HG1 ILE 26 6.194 -2.195 -2.532 156 HG13 ILE 26 3HG1 ILE 26 7.799 -2.729 -2.993 157 HG21 ILE 26 1HG2 ILE 26 6.676 -6.145 -4.114 158 HG22 ILE 26 2HG2 ILE 26 8.121 -5.203 -3.742 159 HG23 ILE 26 3HG2 ILE 26 7.090 -4.738 -5.096 160 HD11 ILE 26 3HD1 ILE 26 5.523 -2.052 -4.858 161 HD12 ILE 26 1HD1 ILE 26 7.097 -2.665 -5.368 162 HD13 ILE 26 2HD1 ILE 26 6.979 -1.096 -4.571 163 HA PRO 27 HA PRO 27 4.615 -5.528 -5.980 164 HB2 PRO 27 2HB PRO 27 2.787 -6.972 -7.346 165 HB3 PRO 27 3HB PRO 27 4.368 -7.623 -6.880 166 HG2 PRO 27 2HG PRO 27 1.713 -8.049 -5.600 167 HG3 PRO 27 3HG PRO 27 3.009 -9.218 -5.920 168 HD2 PRO 27 2HD PRO 27 2.599 -8.090 -3.479 169 HD3 PRO 27 3HD PRO 27 4.193 -8.618 -4.051 170 H GLY 28 H GLY 28 1.476 -5.970 -4.435 171 HA2 GLY 28 2HA GLY 28 -0.025 -4.167 -4.053 172 HA3 GLY 28 3HA GLY 28 0.623 -3.357 -5.470 173 H ASN 29 H ASN 29 0.381 -5.976 -7.005 174 HA ASN 29 HA ASN 29 -2.530 -5.817 -7.468 175 HB2 ASN 29 2HB ASN 29 -0.269 -6.346 -9.407 176 HB3 ASN 29 3HB ASN 29 -1.962 -6.608 -9.811 177 HD21 ASN 29 1HD2 ASN 29 -3.329 -4.840 -10.043 178 HD22 ASN 29 2HD2 ASN 29 -2.725 -3.235 -10.252 179 HA PRO 30 HA PRO 30 -4.397 -6.849 -7.256 180 HB2 PRO 30 2HB PRO 30 -5.688 -8.179 -5.257 181 HB3 PRO 30 3HB PRO 30 -5.750 -8.689 -6.955 182 HG2 PRO 30 2HG PRO 30 -4.088 -9.760 -4.727 183 HG3 PRO 30 3HG PRO 30 -4.956 -10.630 -6.007 184 HD2 PRO 30 2HD PRO 30 -2.291 -10.188 -6.105 185 HD3 PRO 30 3HD PRO 30 -3.302 -10.273 -7.560 186 H ASP 31 H ASP 31 -2.298 -7.875 -4.647 187 HA ASP 31 HA ASP 31 -2.398 -5.245 -3.447 188 HB2 ASP 31 2HB ASP 31 -2.785 -6.171 -1.129 189 HB3 ASP 31 3HB ASP 31 -4.198 -6.180 -2.175 190 H GLY 32 H GLY 32 -0.649 -4.800 -2.059 191 HA2 GLY 32 2HA GLY 32 1.443 -6.858 -1.870 192 HA3 GLY 32 3HA GLY 32 1.828 -5.318 -2.625 193 H THR 33 H THR 33 3.481 -5.395 -0.847 194 HA THR 33 HA THR 33 2.419 -4.615 1.763 195 HB THR 33 HB THR 33 5.039 -4.666 2.236 196 HG1 THR 33 HG1 THR 33 5.602 -6.744 0.920 197 HG21 THR 33 3HG2 THR 33 3.367 -5.998 3.402 198 HG22 THR 33 1HG2 THR 33 4.770 -6.985 2.993 199 HG23 THR 33 2HG2 THR 33 3.292 -7.117 2.041 200 H CYS 34 H CYS 34 2.609 -2.665 2.608 201 HA CYS 34 HA CYS 34 3.424 -0.489 0.902 202 HB2 CYS 34 2HB CYS 34 2.226 -0.613 3.670 203 HB3 CYS 34 3HB CYS 34 2.679 0.904 2.901 204 H TYR 35 H TYR 35 5.477 -0.089 0.678 205 HA TYR 35 HA TYR 35 7.248 -0.085 3.031 206 HB2 TYR 35 2HB TYR 35 7.783 -0.648 0.122 207 HB3 TYR 35 3HB TYR 35 9.084 -0.186 1.213 208 HD1 TYR 35 HD1 TYR 35 9.393 -1.619 3.333 209 HD2 TYR 35 HD2 TYR 35 7.134 -2.891 -0.046 210 HE1 TYR 35 HE1 TYR 35 9.619 -3.945 4.068 211 HE2 TYR 35 HE2 TYR 35 7.350 -5.224 0.688 212 HH TYR 35 HH TYR 35 8.850 -6.589 2.080 213 H TYR 36 H TYR 36 8.667 1.634 3.349 214 HA TYR 36 HA TYR 36 7.692 4.179 2.397 215 HB2 TYR 36 2HB TYR 36 9.446 3.244 4.540 216 HB3 TYR 36 3HB TYR 36 10.023 4.722 3.779 217 HD1 TYR 36 HD1 TYR 36 8.288 6.652 3.544 218 HD2 TYR 36 HD2 TYR 36 7.813 3.358 6.197 219 HE1 TYR 36 HE1 TYR 36 6.702 7.965 4.881 220 HE2 TYR 36 HE2 TYR 36 6.220 4.663 7.539 221 HH TYR 36 HH TYR 36 5.675 7.021 7.973 222 H LEU 37 H LEU 37 8.453 5.389 0.811 223 HA LEU 37 HA LEU 37 10.588 4.400 -0.853 224 HB2 LEU 37 2HB LEU 37 8.766 6.789 -1.112 225 HB3 LEU 37 3HB LEU 37 9.993 6.377 -2.293 226 HG LEU 37 HG LEU 37 7.936 4.325 -1.586 227 HD11 LEU 37 1HD1 LEU 37 7.489 6.641 -3.464 228 HD12 LEU 37 2HD1 LEU 37 6.623 6.332 -1.958 229 HD13 LEU 37 3HD1 LEU 37 6.450 5.224 -3.320 230 HD21 LEU 37 3HD2 LEU 37 8.262 3.692 -3.928 231 HD22 LEU 37 1HD2 LEU 37 9.793 3.718 -3.053 232 HD23 LEU 37 2HD2 LEU 37 9.375 5.042 -4.141 Start of MODEL 20 1 H1 PCA 1 H1 PCA 1 -9.949 7.368 3.242 2 HA PCA 1 HA PCA 1 -10.432 4.808 3.801 3 HB2 PCA 1 3HB PCA 1 -12.607 4.698 2.792 4 HB3 PCA 1 2HB PCA 1 -11.681 4.351 1.280 5 HG2 PCA 1 3HG PCA 1 -13.676 6.057 2.689 6 HG3 PCA 1 2HG PCA 1 -12.957 6.471 1.111 7 H GLY 2 H GLY 2 -8.830 3.521 2.997 8 HA2 GLY 2 2HA GLY 2 -7.422 2.656 1.288 9 HA3 GLY 2 3HA GLY 2 -7.583 4.175 0.420 10 H CYS 3 H CYS 3 -6.548 3.215 3.691 11 HA CYS 3 HA CYS 3 -3.959 4.516 3.223 12 HB2 CYS 3 2HB CYS 3 -5.790 5.890 4.586 13 HB3 CYS 3 3HB CYS 3 -5.233 4.866 5.904 14 H ALA 4 H ALA 4 -2.503 2.973 3.462 15 HA ALA 4 HA ALA 4 -2.847 1.004 5.629 16 HB1 ALA 4 3HB ALA 4 -1.124 0.422 3.266 17 HB2 ALA 4 1HB ALA 4 -2.876 0.278 3.117 18 HB3 ALA 4 2HB ALA 4 -2.009 -0.685 4.314 19 H PHE 5 H PHE 5 -1.029 0.426 6.848 20 HA PHE 5 HA PHE 5 1.060 2.463 6.954 21 HB2 PHE 5 2HB PHE 5 0.244 0.258 8.855 22 HB3 PHE 5 3HB PHE 5 1.658 1.271 9.119 23 HD1 PHE 5 HD2 PHE 5 -1.993 1.143 9.096 24 HD2 PHE 5 HD1 PHE 5 1.423 3.601 9.733 25 HE1 PHE 5 HE2 PHE 5 -3.412 2.824 10.198 26 HE2 PHE 5 HE1 PHE 5 0.010 5.285 10.837 27 HZ PHE 5 HZ PHE 5 -2.411 4.899 11.069 28 H GLU 6 H GLU 6 3.328 1.583 7.622 29 HA GLU 6 HA GLU 6 4.359 0.061 5.472 30 HB2 GLU 6 2HB GLU 6 5.565 1.804 6.907 31 HB3 GLU 6 3HB GLU 6 5.803 0.521 8.079 32 HG2 GLU 6 2HG GLU 6 6.944 -0.784 6.256 33 HG3 GLU 6 3HG GLU 6 6.872 0.677 5.272 34 H GLY 7 H GLY 7 4.934 -2.014 5.261 35 HA2 GLY 7 2HA GLY 7 5.319 -4.245 5.827 36 HA3 GLY 7 3HA GLY 7 4.954 -3.859 7.500 37 H GLU 8 H GLU 8 2.451 -2.559 5.914 38 HA GLU 8 HA GLU 8 0.734 -4.870 6.400 39 HB2 GLU 8 2HB GLU 8 0.353 -2.413 7.233 40 HB3 GLU 8 3HB GLU 8 -0.269 -2.152 5.610 41 HG2 GLU 8 2HG GLU 8 -1.944 -3.876 5.950 42 HG3 GLU 8 3HG GLU 8 -1.298 -4.207 7.558 43 H SER 9 H SER 9 -0.935 -5.457 4.866 44 HA SER 9 HA SER 9 0.018 -5.266 2.108 45 HB2 SER 9 2HB SER 9 -0.408 -7.513 3.139 46 HB3 SER 9 3HB SER 9 -2.118 -7.094 3.232 47 HG SER 9 HG SER 9 -2.274 -7.176 1.070 48 H CYS 10 H CYS 10 -0.841 -3.783 0.841 49 HA CYS 10 HA CYS 10 -3.676 -3.061 1.198 50 HB2 CYS 10 2HB CYS 10 -3.234 -0.820 0.816 51 HB3 CYS 10 3HB CYS 10 -1.792 -1.307 1.694 52 H ASN 11 H ASN 11 -4.862 -2.532 -0.708 53 HA ASN 11 HA ASN 11 -3.927 -3.974 -3.080 54 HB2 ASN 11 2HB ASN 11 -6.724 -3.009 -2.487 55 HB3 ASN 11 3HB ASN 11 -6.238 -4.114 -3.763 56 HD21 ASN 11 1HD2 ASN 11 -6.459 -3.730 -0.280 57 HD22 ASN 11 2HD2 ASN 11 -6.620 -5.412 0.085 58 H VAL 12 H VAL 12 -3.719 -2.984 -5.042 59 HA VAL 12 HA VAL 12 -3.752 -0.068 -4.969 60 HB VAL 12 HB VAL 12 -2.476 -0.115 -7.061 61 HG11 VAL 12 1HG1 VAL 12 -1.234 -0.160 -4.995 62 HG12 VAL 12 2HG1 VAL 12 -0.416 -1.170 -6.190 63 HG13 VAL 12 3HG1 VAL 12 -1.373 -1.917 -4.910 64 HG21 VAL 12 3HG2 VAL 12 -2.370 -3.116 -6.873 65 HG22 VAL 12 1HG2 VAL 12 -1.807 -2.080 -8.185 66 HG23 VAL 12 2HG2 VAL 12 -3.538 -2.272 -7.890 67 H GLU 13 H GLU 13 -6.179 -1.837 -5.231 68 HA GLU 13 HA GLU 13 -7.221 -0.854 -7.803 69 HB2 GLU 13 2HB GLU 13 -8.110 -3.199 -6.118 70 HB3 GLU 13 3HB GLU 13 -8.874 -2.693 -7.616 71 HG2 GLU 13 2HG GLU 13 -5.974 -3.457 -7.541 72 HG3 GLU 13 3HG GLU 13 -7.242 -4.679 -7.643 73 H PHE 14 H PHE 14 -7.735 -0.968 -4.335 74 HA PHE 14 HA PHE 14 -9.814 1.060 -4.542 75 HB2 PHE 14 2HB PHE 14 -11.223 -0.320 -2.839 76 HB3 PHE 14 3HB PHE 14 -11.293 -0.746 -4.544 77 HD1 PHE 14 HD2 PHE 14 -10.236 -2.767 -5.375 78 HD2 PHE 14 HD1 PHE 14 -10.201 -1.794 -1.239 79 HE1 PHE 14 HE2 PHE 14 -9.509 -5.055 -4.849 80 HE2 PHE 14 HE1 PHE 14 -9.465 -4.077 -0.701 81 HZ PHE 14 HZ PHE 14 -9.108 -5.697 -2.514 82 H TYR 15 H TYR 15 -7.918 -0.987 -2.321 83 HA TYR 15 HA TYR 15 -7.817 1.275 -0.432 84 HB2 TYR 15 2HB TYR 15 -8.952 -0.929 0.291 85 HB3 TYR 15 3HB TYR 15 -7.327 -1.590 0.349 86 HD1 TYR 15 HD1 TYR 15 -5.673 -0.654 2.005 87 HD2 TYR 15 HD2 TYR 15 -9.778 0.489 2.012 88 HE1 TYR 15 HE1 TYR 15 -5.422 0.216 4.287 89 HE2 TYR 15 HE2 TYR 15 -9.531 1.365 4.295 90 HH TYR 15 HH TYR 15 -6.513 1.846 5.767 91 HA PRO 16 HA PRO 16 -3.435 0.582 -1.973 92 HB2 PRO 16 2HB PRO 16 -2.859 3.194 -2.475 93 HB3 PRO 16 3HB PRO 16 -3.694 2.163 -3.653 94 HG2 PRO 16 2HG PRO 16 -4.838 4.177 -1.772 95 HG3 PRO 16 3HG PRO 16 -5.225 3.882 -3.479 96 HD2 PRO 16 2HD PRO 16 -6.757 2.940 -1.451 97 HD3 PRO 16 3HD PRO 16 -6.589 2.100 -3.003 98 H CYS 17 H CYS 17 -1.419 2.157 -1.251 99 HA CYS 17 HA CYS 17 -1.268 1.911 1.577 100 HB2 CYS 17 2HB CYS 17 0.583 3.185 -0.446 101 HB3 CYS 17 3HB CYS 17 0.961 3.057 1.264 102 H CYS 18 H CYS 18 -0.085 4.018 2.705 103 HA CYS 18 HA CYS 18 -2.174 6.012 2.792 104 HB2 CYS 18 2HB CYS 18 0.208 5.376 4.489 105 HB3 CYS 18 3HB CYS 18 -0.561 6.955 4.629 106 HA PRO 19 HA PRO 19 0.193 8.680 0.027 107 HB2 PRO 19 2HB PRO 19 -1.713 10.573 -0.334 108 HB3 PRO 19 3HB PRO 19 -1.786 8.987 -1.123 109 HG2 PRO 19 2HG PRO 19 -3.295 9.994 1.223 110 HG3 PRO 19 3HG PRO 19 -3.811 8.898 -0.072 111 HD2 PRO 19 2HD PRO 19 -3.030 8.103 2.467 112 HD3 PRO 19 3HD PRO 19 -3.066 7.059 1.033 113 H GLY 20 H GLY 20 1.121 10.789 0.053 114 HA2 GLY 20 2HA GLY 20 1.642 12.883 1.001 115 HA3 GLY 20 3HA GLY 20 0.726 12.439 2.433 116 H LEU 21 H LEU 21 2.060 9.849 2.724 117 HA LEU 21 HA LEU 21 4.401 10.758 4.157 118 HB2 LEU 21 2HB LEU 21 3.384 7.932 3.901 119 HB3 LEU 21 3HB LEU 21 4.457 8.560 5.128 120 HG LEU 21 HG LEU 21 1.591 9.467 4.856 121 HD11 LEU 21 1HD1 LEU 21 1.673 7.042 5.218 122 HD12 LEU 21 2HD1 LEU 21 1.020 7.902 6.611 123 HD13 LEU 21 3HD1 LEU 21 2.677 7.298 6.644 124 HD21 LEU 21 3HD2 LEU 21 1.885 10.155 7.194 125 HD22 LEU 21 1HD2 LEU 21 3.038 10.962 6.132 126 HD23 LEU 21 2HD2 LEU 21 3.563 9.615 7.141 127 H GLY 22 H GLY 22 3.831 8.085 1.834 128 HA2 GLY 22 2HA GLY 22 5.345 8.296 -0.213 129 HA3 GLY 22 3HA GLY 22 6.638 8.345 0.973 130 H LEU 23 H LEU 23 3.759 6.287 1.152 131 HA LEU 23 HA LEU 23 5.484 3.941 1.293 132 HB2 LEU 23 2HB LEU 23 2.571 4.440 1.868 133 HB3 LEU 23 3HB LEU 23 3.164 2.808 1.676 134 HG LEU 23 HG LEU 23 2.933 3.414 4.030 135 HD11 LEU 23 1HD1 LEU 23 4.962 2.565 4.831 136 HD12 LEU 23 2HD1 LEU 23 5.867 3.199 3.460 137 HD13 LEU 23 3HD1 LEU 23 4.749 1.856 3.232 138 HD21 LEU 23 3HD2 LEU 23 4.617 5.034 5.000 139 HD22 LEU 23 1HD2 LEU 23 3.257 5.727 4.117 140 HD23 LEU 23 2HD2 LEU 23 4.843 5.622 3.353 141 H THR 24 H THR 24 5.062 2.022 0.085 142 HA THR 24 HA THR 24 3.515 2.273 -2.377 143 HB THR 24 HB THR 24 5.718 3.009 -3.095 144 HG1 THR 24 HG1 THR 24 6.105 1.349 -4.678 145 HG21 THR 24 3HG2 THR 24 7.679 1.447 -2.997 146 HG22 THR 24 1HG2 THR 24 6.751 0.435 -1.888 147 HG23 THR 24 2HG2 THR 24 7.183 2.082 -1.428 148 H CYS 25 H CYS 25 2.427 0.442 -2.827 149 HA CYS 25 HA CYS 25 2.827 -1.870 -1.122 150 HB2 CYS 25 2HB CYS 25 0.638 -0.734 -2.602 151 HB3 CYS 25 3HB CYS 25 0.833 -2.427 -3.035 152 H ILE 26 H ILE 26 3.970 -3.596 -1.639 153 HA ILE 26 HA ILE 26 4.557 -4.125 -4.476 154 HB ILE 26 HB ILE 26 6.454 -4.605 -2.167 155 HG12 ILE 26 2HG1 ILE 26 6.187 -2.192 -2.545 156 HG13 ILE 26 3HG1 ILE 26 7.792 -2.724 -3.006 157 HG21 ILE 26 1HG2 ILE 26 6.670 -6.140 -4.132 158 HG22 ILE 26 2HG2 ILE 26 8.116 -5.202 -3.754 159 HG23 ILE 26 3HG2 ILE 26 7.089 -4.729 -5.108 160 HD11 ILE 26 3HD1 ILE 26 5.516 -2.051 -4.870 161 HD12 ILE 26 1HD1 ILE 26 7.089 -2.662 -5.379 162 HD13 ILE 26 2HD1 ILE 26 6.969 -1.093 -4.584 163 HA PRO 27 HA PRO 27 4.609 -5.525 -5.991 164 HB2 PRO 27 2HB PRO 27 2.778 -6.971 -7.354 165 HB3 PRO 27 3HB PRO 27 4.362 -7.620 -6.893 166 HG2 PRO 27 2HG PRO 27 1.709 -8.050 -5.609 167 HG3 PRO 27 3HG PRO 27 3.007 -9.218 -5.931 168 HD2 PRO 27 2HD PRO 27 2.600 -8.092 -3.489 169 HD3 PRO 27 3HD PRO 27 4.194 -8.617 -4.064 170 H GLY 28 H GLY 28 1.472 -5.973 -4.443 171 HA2 GLY 28 2HA GLY 28 -0.029 -4.171 -4.055 172 HA3 GLY 28 3HA GLY 28 0.615 -3.360 -5.474 173 H ASN 29 H ASN 29 0.371 -5.981 -7.007 174 HA ASN 29 HA ASN 29 -2.541 -5.821 -7.465 175 HB2 ASN 29 2HB ASN 29 -0.284 -6.353 -9.407 176 HB3 ASN 29 3HB ASN 29 -1.978 -6.613 -9.809 177 HD21 ASN 29 1HD2 ASN 29 -3.344 -4.843 -10.037 178 HD22 ASN 29 2HD2 ASN 29 -2.738 -3.239 -10.249 179 HA PRO 30 HA PRO 30 -4.408 -6.851 -7.248 180 HB2 PRO 30 2HB PRO 30 -5.696 -8.180 -5.247 181 HB3 PRO 30 3HB PRO 30 -5.761 -8.691 -6.944 182 HG2 PRO 30 2HG PRO 30 -4.096 -9.761 -4.718 183 HG3 PRO 30 3HG PRO 30 -4.966 -10.632 -5.997 184 HD2 PRO 30 2HD PRO 30 -2.300 -10.190 -6.099 185 HD3 PRO 30 3HD PRO 30 -3.313 -10.277 -7.553 186 H ASP 31 H ASP 31 -2.303 -7.877 -4.642 187 HA ASP 31 HA ASP 31 -2.401 -5.247 -3.443 188 HB2 ASP 31 2HB ASP 31 -2.782 -6.173 -1.124 189 HB3 ASP 31 3HB ASP 31 -4.197 -6.183 -2.166 190 H GLY 32 H GLY 32 -0.650 -4.802 -2.058 191 HA2 GLY 32 2HA GLY 32 1.445 -6.857 -1.877 192 HA3 GLY 32 3HA GLY 32 1.826 -5.316 -2.630 193 H THR 33 H THR 33 3.483 -5.400 -0.854 194 HA THR 33 HA THR 33 2.426 -4.622 1.759 195 HB THR 33 HB THR 33 5.046 -4.673 2.229 196 HG1 THR 33 HG1 THR 33 5.199 -5.346 -0.164 197 HG21 THR 33 3HG2 THR 33 3.303 -7.127 2.027 198 HG22 THR 33 1HG2 THR 33 3.377 -6.012 3.392 199 HG23 THR 33 2HG2 THR 33 4.782 -6.995 2.978 200 H CYS 34 H CYS 34 2.623 -2.675 2.611 201 HA CYS 34 HA CYS 34 3.432 -0.496 0.905 202 HB2 CYS 34 2HB CYS 34 2.230 -0.629 3.670 203 HB3 CYS 34 3HB CYS 34 2.688 0.893 2.911 204 H TYR 35 H TYR 35 5.486 -0.091 0.681 205 HA TYR 35 HA TYR 35 7.256 -0.092 3.035 206 HB2 TYR 35 2HB TYR 35 7.794 -0.650 0.125 207 HB3 TYR 35 3HB TYR 35 9.094 -0.191 1.220 208 HD1 TYR 35 HD1 TYR 35 9.393 -1.630 3.340 209 HD2 TYR 35 HD2 TYR 35 7.149 -2.891 -0.055 210 HE1 TYR 35 HE1 TYR 35 9.616 -3.959 4.067 211 HE2 TYR 35 HE2 TYR 35 7.363 -5.227 0.672 212 HH TYR 35 HH TYR 35 8.452 -6.107 3.761 213 H TYR 36 H TYR 36 8.682 1.627 3.350 214 HA TYR 36 HA TYR 36 7.703 4.171 2.409 215 HB2 TYR 36 2HB TYR 36 9.494 3.239 4.526 216 HB3 TYR 36 3HB TYR 36 10.044 4.724 3.759 217 HD1 TYR 36 HD2 TYR 36 8.275 6.633 3.547 218 HD2 TYR 36 HD1 TYR 36 7.896 3.338 6.216 219 HE1 TYR 36 HE2 TYR 36 6.690 7.925 4.909 220 HE2 TYR 36 HE1 TYR 36 6.307 4.622 7.582 221 HH TYR 36 HH TYR 36 4.870 7.496 6.521 222 H LEU 37 H LEU 37 8.433 5.374 0.815 223 HA LEU 37 HA LEU 37 10.603 4.390 -0.831 224 HB2 LEU 37 2HB LEU 37 8.200 5.501 -1.433 225 HB3 LEU 37 3HB LEU 37 9.247 6.899 -1.578 226 HG LEU 37 HG LEU 37 10.685 5.266 -3.076 227 HD11 LEU 37 1HD1 LEU 37 9.283 3.739 -4.367 228 HD12 LEU 37 2HD1 LEU 37 7.906 4.119 -3.333 229 HD13 LEU 37 3HD1 LEU 37 9.310 3.290 -2.661 230 HD21 LEU 37 3HD2 LEU 37 9.471 6.101 -5.037 231 HD22 LEU 37 1HD2 LEU 37 9.714 7.361 -3.827 232 HD23 LEU 37 2HD2 LEU 37 8.136 6.591 -3.992
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