NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16863 | 2axk | 6924 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN PCA 1 H PCA 1 -1.257 -11.428 -0.207 2 HA PCA 1 HA PCA 1 -2.828 -9.637 0.807 3 1HB PCA 1 1HB PCA 1 -1.764 -8.609 2.526 4 2HB PCA 1 2HB PCA 1 -0.622 -7.877 1.386 5 1HG PCA 1 1HG PCA 1 -0.164 -9.968 3.259 6 2HG PCA 1 2HG PCA 1 0.976 -9.265 2.089 7 H ILE 2 H ILE 2 -2.227 -7.008 0.241 8 HA ILE 2 HA ILE 2 -2.256 -7.075 -2.654 9 HB ILE 2 HB ILE 2 -2.689 -4.830 -0.689 10 1HG1 ILE 2 1HG1 ILE 2 -4.597 -6.288 -2.529 11 2HG1 ILE 2 2HG1 ILE 2 -4.457 -6.543 -0.793 12 1HG2 ILE 2 1HG2 ILE 2 -2.918 -4.746 -3.694 13 2HG2 ILE 2 2HG2 ILE 2 -3.418 -3.464 -2.588 14 3HG2 ILE 2 3HG2 ILE 2 -1.716 -3.908 -2.711 15 1HD1 ILE 2 1HD1 ILE 2 -5.183 -4.249 -0.396 16 2HD1 ILE 2 2HD1 ILE 2 -5.319 -3.992 -2.135 17 3HD1 ILE 2 3HD1 ILE 2 -6.371 -5.156 -1.331 18 H ASP 3 H ASP 3 -0.285 -7.324 -3.496 19 HA ASP 3 HA ASP 3 1.768 -5.350 -2.765 20 1HB ASP 3 1HB ASP 3 2.597 -7.549 -2.235 21 2HB ASP 3 2HB ASP 3 2.096 -8.176 -3.804 22 H THR 4 H THR 4 1.491 -3.770 -4.194 23 HA THR 4 HA THR 4 0.778 -4.373 -6.942 24 HB THR 4 HB THR 4 0.732 -1.832 -7.113 25 HG1 THR 4 1HG THR 4 1.748 -0.971 -5.442 26 1HG2 THR 4 1HG2 THR 4 -1.295 -3.175 -6.821 27 2HG2 THR 4 2HG2 THR 4 -1.407 -1.659 -5.927 28 3HG2 THR 4 3HG2 THR 4 -1.056 -3.163 -5.075 29 H ASN 5 H ASN 5 3.580 -4.426 -5.360 30 HA ASN 5 HA ASN 5 5.781 -4.127 -5.834 31 1HB ASN 5 1HB ASN 5 4.983 -5.513 -7.816 32 2HB ASN 5 2HB ASN 5 4.926 -4.014 -8.735 33 1HD2 ASN 5 1HD2 ASN 5 6.807 -3.105 -9.465 34 2HD2 ASN 5 2HD2 ASN 5 8.350 -3.877 -9.325 35 H VAL 6 H VAL 6 4.784 -1.947 -4.929 36 HA VAL 6 HA VAL 6 5.721 0.239 -6.666 37 HB VAL 6 HB VAL 6 3.372 0.285 -4.759 38 1HG1 VAL 6 1HG1 VAL 6 4.589 2.385 -4.626 39 2HG1 VAL 6 2HG1 VAL 6 4.575 2.526 -6.384 40 3HG1 VAL 6 3HG1 VAL 6 3.064 2.622 -5.480 41 1HG2 VAL 6 1HG2 VAL 6 3.504 0.633 -7.752 42 2HG2 VAL 6 2HG2 VAL 6 2.851 -0.761 -6.889 43 3HG2 VAL 6 3HG2 VAL 6 2.056 0.808 -6.759 44 H LYS 7 H LYS 7 7.428 1.180 -5.822 45 HA LYS 7 HA LYS 7 8.413 0.608 -3.240 46 1HB LYS 7 1HB LYS 7 9.140 2.749 -5.246 47 2HB LYS 7 2HB LYS 7 9.986 2.558 -3.719 48 1HG LYS 7 1HG LYS 7 11.223 1.511 -5.514 49 2HG LYS 7 2HG LYS 7 10.650 0.291 -4.379 50 1HD LYS 7 1HD LYS 7 8.922 -0.389 -5.867 51 2HD LYS 7 2HD LYS 7 9.205 0.992 -6.924 52 1HE LYS 7 1HE LYS 7 11.189 -1.217 -6.420 53 2HE LYS 7 2HE LYS 7 10.104 -1.137 -7.808 54 1HZ LYS 7 1HZ LYS 7 11.145 1.108 -8.253 55 2HZ LYS 7 2HZ LYS 7 12.121 -0.251 -8.540 56 3HZ LYS 7 3HZ LYS 7 12.348 0.673 -7.133 57 H CYS 8 H CYS 8 8.594 1.997 -1.400 58 HA CYS 8 HA CYS 8 6.162 3.542 -1.121 59 1HB CYS 8 1HB CYS 8 6.645 3.544 1.275 60 2HB CYS 8 2HB CYS 8 6.702 1.916 0.614 61 H SER 9 H SER 9 6.230 5.551 -1.802 62 HA SER 9 HA SER 9 8.471 7.296 -1.218 63 1HB SER 9 1HB SER 9 7.251 7.608 -3.316 64 2HB SER 9 2HB SER 9 5.737 7.802 -2.439 65 HG SER 9 HG SER 9 7.984 9.546 -2.432 66 H GLY 10 H GLY 10 7.311 5.990 0.970 67 1HA GLY 10 1HA GLY 10 6.869 6.931 3.165 68 2HA GLY 10 2HA GLY 10 5.826 8.111 2.374 69 H SER 11 H SER 11 5.608 5.601 4.344 70 HA SER 11 HA SER 11 3.821 3.799 3.139 71 1HB SER 11 1HB SER 11 3.957 4.604 6.058 72 2HB SER 11 2HB SER 11 3.222 3.135 5.415 73 HG SER 11 HG SER 11 5.691 3.436 6.180 74 H SER 12 H SER 12 3.385 7.045 4.142 75 HA SER 12 HA SER 12 0.571 6.809 4.681 76 1HB SER 12 1HB SER 12 2.194 9.329 4.299 77 2HB SER 12 2HB SER 12 0.630 9.180 5.103 78 HG SER 12 HG SER 12 3.179 8.371 5.970 79 H LYS 13 H LYS 13 2.367 6.938 1.859 80 HA LYS 13 HA LYS 13 0.384 8.357 0.300 81 1HB LYS 13 1HB LYS 13 2.768 8.379 -0.376 82 2HB LYS 13 2HB LYS 13 2.696 6.639 -0.622 83 1HG LYS 13 1HG LYS 13 1.145 6.892 -2.425 84 2HG LYS 13 2HG LYS 13 0.997 8.620 -2.115 85 1HD LYS 13 1HD LYS 13 3.679 7.452 -2.735 86 2HD LYS 13 2HD LYS 13 2.535 7.749 -4.042 87 1HE LYS 13 1HE LYS 13 3.786 9.705 -3.969 88 2HE LYS 13 2HE LYS 13 2.336 10.114 -3.058 89 1HZ LYS 13 1HZ LYS 13 4.119 10.939 -1.818 90 2HZ LYS 13 2HZ LYS 13 5.045 9.537 -2.017 91 3HZ LYS 13 3HZ LYS 13 3.681 9.513 -1.011 92 H CYS 14 H CYS 14 1.503 5.023 0.647 93 HA CYS 14 HA CYS 14 -0.355 3.866 -1.104 94 1HB CYS 14 1HB CYS 14 0.175 1.864 0.666 95 2HB CYS 14 2HB CYS 14 1.192 2.290 -0.708 96 H VAL 15 H VAL 15 -0.459 4.291 2.425 97 HA VAL 15 HA VAL 15 -2.743 2.764 2.884 98 HB VAL 15 HB VAL 15 -1.304 3.481 4.697 99 1HG1 VAL 15 1HG1 VAL 15 -2.364 6.242 4.146 100 2HG1 VAL 15 2HG1 VAL 15 -1.354 5.786 5.519 101 3HG1 VAL 15 3HG1 VAL 15 -0.715 5.675 3.877 102 1HG2 VAL 15 1HG2 VAL 15 -3.005 4.150 6.323 103 2HG2 VAL 15 2HG2 VAL 15 -4.105 4.554 5.006 104 3HG2 VAL 15 3HG2 VAL 15 -3.598 2.882 5.250 105 H LYS 16 H LYS 16 -2.433 5.998 1.642 106 HA LYS 16 HA LYS 16 -5.261 6.554 1.990 107 1HB LYS 16 1HB LYS 16 -3.665 8.371 2.319 108 2HB LYS 16 2HB LYS 16 -3.067 8.167 0.679 109 1HG LYS 16 1HG LYS 16 -5.267 8.807 -0.193 110 2HG LYS 16 2HG LYS 16 -5.842 9.041 1.458 111 1HD LYS 16 1HD LYS 16 -5.219 11.170 0.454 112 2HD LYS 16 2HD LYS 16 -4.144 10.777 1.797 113 1HE LYS 16 1HE LYS 16 -2.456 9.981 0.218 114 2HE LYS 16 2HE LYS 16 -3.535 10.345 -1.129 115 1HZ LYS 16 1HZ LYS 16 -2.578 12.383 0.805 116 2HZ LYS 16 2HZ LYS 16 -3.404 12.658 -0.649 117 3HZ LYS 16 3HZ LYS 16 -1.814 12.063 -0.673 118 H ILE 17 H ILE 17 -2.989 5.891 -0.661 119 HA ILE 17 HA ILE 17 -5.053 6.329 -2.630 120 HB ILE 17 HB ILE 17 -2.696 6.950 -3.054 121 1HG1 ILE 17 1HG1 ILE 17 -2.744 6.379 -5.370 122 2HG1 ILE 17 2HG1 ILE 17 -3.639 4.895 -5.049 123 1HG2 ILE 17 1HG2 ILE 17 -1.094 5.218 -3.735 124 2HG2 ILE 17 2HG2 ILE 17 -1.549 5.093 -2.035 125 3HG2 ILE 17 3HG2 ILE 17 -2.244 3.984 -3.218 126 1HD1 ILE 17 1HD1 ILE 17 -4.717 7.674 -4.632 127 2HD1 ILE 17 2HD1 ILE 17 -5.030 6.665 -6.047 128 3HD1 ILE 17 3HD1 ILE 17 -5.602 6.156 -4.453 129 H CYS 18 H CYS 18 -3.589 3.604 -1.054 130 HA CYS 18 HA CYS 18 -4.453 1.621 -2.880 131 1HB CYS 18 1HB CYS 18 -2.742 1.390 -0.983 132 2HB CYS 18 2HB CYS 18 -4.119 1.149 0.077 133 H ILE 19 H ILE 19 -6.075 3.464 -0.489 134 HA ILE 19 HA ILE 19 -8.373 1.888 -0.116 135 HB ILE 19 HB ILE 19 -8.159 4.906 -0.109 136 1HG1 ILE 19 1HG1 ILE 19 -7.990 2.935 2.180 137 2HG1 ILE 19 2HG1 ILE 19 -6.633 3.825 1.499 138 1HG2 ILE 19 1HG2 ILE 19 -10.467 4.182 -0.317 139 2HG2 ILE 19 2HG2 ILE 19 -10.268 3.088 1.053 140 3HG2 ILE 19 3HG2 ILE 19 -10.178 4.831 1.298 141 1HD1 ILE 19 1HD1 ILE 19 -7.683 5.925 2.191 142 2HD1 ILE 19 2HD1 ILE 19 -9.013 5.016 2.907 143 3HD1 ILE 19 3HD1 ILE 19 -7.380 4.850 3.556 144 H ASP 20 H ASP 20 -7.438 4.203 -2.573 145 HA ASP 20 HA ASP 20 -10.016 4.226 -3.844 146 1HB ASP 20 1HB ASP 20 -8.386 6.148 -3.876 147 2HB ASP 20 2HB ASP 20 -7.375 5.192 -4.956 148 H ARG 21 H ARG 21 -7.135 2.373 -4.006 149 HA ARG 21 HA ARG 21 -7.368 1.321 -6.609 150 1HB ARG 21 1HB ARG 21 -6.055 0.226 -4.125 151 2HB ARG 21 2HB ARG 21 -5.892 -0.479 -5.716 152 1HG ARG 21 1HG ARG 21 -4.810 1.535 -6.532 153 2HG ARG 21 2HG ARG 21 -5.013 2.289 -4.943 154 1HD ARG 21 1HD ARG 21 -3.636 0.568 -3.929 155 2HD ARG 21 2HD ARG 21 -3.467 -0.246 -5.484 156 HE ARG 21 HE ARG 21 -2.524 2.305 -5.893 157 1HH1 ARG 21 2HH1 ARG 21 -1.755 -0.362 -3.760 158 2HH1 ARG 21 1HH1 ARG 21 -0.073 0.031 -3.653 159 1HH2 ARG 21 2HH2 ARG 21 -0.313 2.864 -5.729 160 2HH2 ARG 21 1HH2 ARG 21 0.751 1.878 -4.772 161 H TYR 22 H TYR 22 -7.992 -0.309 -3.491 162 HA TYR 22 HA TYR 22 -9.805 -2.097 -4.966 163 1HB TYR 22 1HB TYR 22 -7.931 -2.770 -2.692 164 2HB TYR 22 2HB TYR 22 -9.112 -3.884 -3.369 165 HD1 TYR 22 1HD TYR 22 -8.892 -4.527 -5.813 166 HD2 TYR 22 2HD TYR 22 -5.811 -2.504 -3.690 167 HE1 TYR 22 1HE TYR 22 -7.266 -5.222 -7.521 168 HE2 TYR 22 2HE TYR 22 -4.176 -3.189 -5.395 169 HH TYR 22 HH TYR 22 -3.937 -5.014 -7.084 170 H ASN 23 H ASN 23 -9.284 -2.260 -1.523 171 HA ASN 23 HA ASN 23 -11.767 -0.952 -0.855 172 1HB ASN 23 1HB ASN 23 -12.905 -2.962 -0.046 173 2HB ASN 23 2HB ASN 23 -12.560 -3.111 -1.766 174 1HD2 ASN 23 1HD2 ASN 23 -12.992 -5.118 0.400 175 2HD2 ASN 23 2HD2 ASN 23 -11.614 -6.172 0.311 176 H THR 24 H THR 24 -8.832 -1.130 -0.098 177 HA THR 24 HA THR 24 -9.081 -2.115 2.651 178 HB THR 24 HB THR 24 -7.324 -3.228 1.403 179 HG1 THR 24 1HG THR 24 -6.023 -3.135 3.082 180 1HG2 THR 24 1HG2 THR 24 -5.387 -2.007 0.532 181 2HG2 THR 24 2HG2 THR 24 -6.143 -0.480 0.986 182 3HG2 THR 24 3HG2 THR 24 -6.876 -1.493 -0.260 183 H ARG 25 H ARG 25 -7.919 -0.936 4.298 184 HA ARG 25 HA ARG 25 -7.766 1.956 3.787 185 1HB ARG 25 1HB ARG 25 -8.422 2.044 6.334 186 2HB ARG 25 2HB ARG 25 -9.662 1.894 5.098 187 1HG ARG 25 1HG ARG 25 -10.082 0.404 6.978 188 2HG ARG 25 2HG ARG 25 -9.797 -0.504 5.496 189 1HD ARG 25 1HD ARG 25 -7.381 -0.717 6.280 190 2HD ARG 25 2HD ARG 25 -7.958 -0.138 7.847 191 HE ARG 25 HE ARG 25 -9.624 -2.133 7.503 192 1HH1 ARG 25 2HH1 ARG 25 -6.171 -2.020 6.903 193 2HH1 ARG 25 1HH1 ARG 25 -5.966 -3.742 6.982 194 1HH2 ARG 25 2HH2 ARG 25 -9.361 -4.389 7.622 195 2HH2 ARG 25 1HH2 ARG 25 -7.786 -5.099 7.392 196 H GLY 26 H GLY 26 -5.858 -0.510 4.119 197 1HA GLY 26 1HA GLY 26 -4.001 0.887 5.915 198 2HA GLY 26 2HA GLY 26 -4.405 -0.786 6.266 199 H ALA 27 H ALA 27 -2.196 1.164 4.860 200 HA ALA 27 HA ALA 27 -0.958 -1.141 3.564 201 1HB ALA 27 1HB ALA 27 -1.955 0.116 1.728 202 2HB ALA 27 2HB ALA 27 -1.161 1.590 2.285 203 3HB ALA 27 3HB ALA 27 -0.196 0.246 1.676 204 H LYS 28 H LYS 28 1.293 -1.134 3.714 205 HA LYS 28 HA LYS 28 2.524 1.081 5.185 206 1HB LYS 28 1HB LYS 28 1.748 -0.490 6.892 207 2HB LYS 28 2HB LYS 28 2.564 -1.812 6.072 208 1HG LYS 28 1HG LYS 28 4.726 -0.646 6.479 209 2HG LYS 28 2HG LYS 28 3.845 0.541 7.441 210 1HD LYS 28 1HD LYS 28 3.122 -1.187 8.974 211 2HD LYS 28 2HD LYS 28 3.896 -2.425 7.981 212 1HE LYS 28 1HE LYS 28 6.078 -1.365 8.399 213 2HE LYS 28 2HE LYS 28 5.286 -0.167 9.424 214 1HZ LYS 28 1HZ LYS 28 6.249 -1.919 10.760 215 2HZ LYS 28 2HZ LYS 28 5.381 -3.102 9.912 216 3HZ LYS 28 3HZ LYS 28 4.562 -1.981 10.878 217 H CYS 29 H CYS 29 4.685 1.352 4.781 218 HA CYS 29 HA CYS 29 5.900 -0.307 2.741 219 1HB CYS 29 1HB CYS 29 6.312 2.060 2.569 220 2HB CYS 29 2HB CYS 29 6.866 2.138 4.238 221 H ILE 30 H ILE 30 6.771 -2.185 3.342 222 HA ILE 30 HA ILE 30 7.950 -2.336 6.038 223 HB ILE 30 HB ILE 30 5.924 -3.645 5.959 224 1HG1 ILE 30 1HG1 ILE 30 6.815 -5.878 6.545 225 2HG1 ILE 30 2HG1 ILE 30 8.368 -5.420 5.855 226 1HG2 ILE 30 1HG2 ILE 30 7.142 -5.152 3.655 227 2HG2 ILE 30 2HG2 ILE 30 5.599 -5.502 4.430 228 3HG2 ILE 30 3HG2 ILE 30 5.814 -3.995 3.537 229 1HD1 ILE 30 1HD1 ILE 30 8.605 -3.676 7.534 230 2HD1 ILE 30 2HD1 ILE 30 7.034 -4.106 8.211 231 3HD1 ILE 30 3HD1 ILE 30 8.371 -5.255 8.284 232 H ASN 31 H ASN 31 8.176 -3.631 2.742 233 HA ASN 31 HA ASN 31 10.924 -4.494 3.323 234 1HB ASN 31 1HB ASN 31 10.673 -5.997 1.378 235 2HB ASN 31 2HB ASN 31 9.450 -6.305 2.603 236 1HD2 ASN 31 1HD2 ASN 31 9.320 -7.042 -0.154 237 2HD2 ASN 31 2HD2 ASN 31 7.954 -6.226 -0.831 238 H GLY 32 H GLY 32 9.843 -1.785 2.529 239 1HA GLY 32 1HA GLY 32 11.185 -0.121 1.470 240 2HA GLY 32 2HA GLY 32 11.750 -1.341 0.337 241 H ARG 33 H ARG 33 8.640 -2.011 0.510 242 HA ARG 33 HA ARG 33 7.784 0.052 -1.385 243 1HB ARG 33 1HB ARG 33 6.853 -1.510 -2.868 244 2HB ARG 33 2HB ARG 33 8.466 -2.107 -2.505 245 1HG ARG 33 1HG ARG 33 7.594 -3.737 -0.996 246 2HG ARG 33 2HG ARG 33 5.967 -3.070 -1.152 247 1HD ARG 33 1HD ARG 33 6.111 -5.000 -2.512 248 2HD ARG 33 2HD ARG 33 6.047 -3.597 -3.570 249 HE ARG 33 HE ARG 33 8.727 -4.134 -3.204 250 1HH1 ARG 33 2HH1 ARG 33 5.950 -5.920 -4.381 251 2HH1 ARG 33 1HH1 ARG 33 6.875 -6.851 -5.525 252 1HH2 ARG 33 2HH2 ARG 33 9.938 -5.327 -4.727 253 2HH2 ARG 33 1HH2 ARG 33 9.144 -6.490 -5.740 254 H CYS 34 H CYS 34 5.361 -0.043 -1.700 255 HA CYS 34 HA CYS 34 4.176 -0.103 0.954 256 1HB CYS 34 1HB CYS 34 3.430 1.139 -1.665 257 2HB CYS 34 2HB CYS 34 2.200 0.917 -0.424 258 H THR 35 H THR 35 3.287 -1.900 1.613 259 HA THR 35 HA THR 35 1.775 -3.545 -0.309 260 HB THR 35 HB THR 35 2.936 -4.408 2.353 261 HG1 THR 35 1HG THR 35 4.569 -3.919 0.785 262 1HG2 THR 35 1HG2 THR 35 2.525 -6.682 1.472 263 2HG2 THR 35 2HG2 THR 35 1.738 -5.971 0.063 264 3HG2 THR 35 3HG2 THR 35 1.037 -5.756 1.668 265 H CYS 36 H CYS 36 -0.372 -3.934 0.115 266 HA CYS 36 HA CYS 36 -1.498 -2.409 2.357 267 1HB CYS 36 1HB CYS 36 -3.000 -3.578 0.019 268 2HB CYS 36 2HB CYS 36 -3.549 -2.342 1.144 269 H TYR 37 H TYR 37 -2.524 -3.354 3.997 270 HA TYR 37 HA TYR 37 -2.879 -6.279 3.877 271 1HB TYR 37 1HB TYR 37 -2.040 -4.616 6.261 272 2HB TYR 37 2HB TYR 37 -2.300 -6.356 6.266 273 HD1 TYR 37 1HD TYR 37 -0.686 -7.856 5.236 274 HD2 TYR 37 2HD TYR 37 -0.043 -3.648 5.259 275 HE1 TYR 37 1HE TYR 37 1.672 -8.224 4.653 276 HE2 TYR 37 2HE TYR 37 2.321 -4.005 4.675 277 HH TYR 37 HH TYR 37 3.519 -6.959 3.566 278 HA PRO 38 HA PRO 38 -6.981 -4.522 4.966 279 1HB PRO 38 1HB PRO 38 -8.062 -6.545 3.179 280 2HB PRO 38 2HB PRO 38 -8.152 -4.787 3.041 281 1HG PRO 38 1HG PRO 38 -6.696 -6.300 1.332 282 2HG PRO 38 2HG PRO 38 -6.221 -4.650 1.794 283 1HD PRO 38 1HD PRO 38 -5.228 -7.270 2.896 284 2HD PRO 38 2HD PRO 38 -4.294 -5.850 2.366 Start of MODEL 2 1 HN PCA 1 H PCA 1 -3.972 -10.198 1.620 2 HA PCA 1 HA PCA 1 -3.078 -7.816 2.071 3 1HB PCA 1 1HB PCA 1 -0.963 -7.928 2.876 4 2HB PCA 1 2HB PCA 1 -0.394 -8.607 1.343 5 1HG PCA 1 1HG PCA 1 -0.763 -9.918 3.847 6 2HG PCA 1 2HG PCA 1 -0.185 -10.602 2.311 7 H ILE 2 H ILE 2 -2.266 -6.374 0.446 8 HA ILE 2 HA ILE 2 -2.136 -7.503 -2.275 9 HB ILE 2 HB ILE 2 -3.488 -4.946 -1.376 10 1HG1 ILE 2 1HG1 ILE 2 -4.539 -7.359 -2.868 11 2HG1 ILE 2 2HG1 ILE 2 -4.846 -6.984 -1.177 12 1HG2 ILE 2 1HG2 ILE 2 -3.952 -4.540 -3.777 13 2HG2 ILE 2 2HG2 ILE 2 -2.240 -4.421 -3.365 14 3HG2 ILE 2 3HG2 ILE 2 -2.857 -5.862 -4.179 15 1HD1 ILE 2 1HD1 ILE 2 -6.055 -4.977 -1.833 16 2HD1 ILE 2 2HD1 ILE 2 -5.724 -5.321 -3.530 17 3HD1 ILE 2 3HD1 ILE 2 -6.743 -6.414 -2.592 18 H ASP 3 H ASP 3 -0.248 -7.047 -3.258 19 HA ASP 3 HA ASP 3 1.401 -4.914 -2.090 20 1HB ASP 3 1HB ASP 3 2.216 -7.373 -2.324 21 2HB ASP 3 2HB ASP 3 2.385 -6.992 -4.034 22 H THR 4 H THR 4 1.675 -3.095 -3.215 23 HA THR 4 HA THR 4 0.444 -2.792 -5.785 24 HB THR 4 HB THR 4 1.499 -0.466 -5.634 25 HG1 THR 4 1HG THR 4 1.899 -0.346 -3.059 26 1HG2 THR 4 1HG2 THR 4 -0.348 -1.429 -3.436 27 2HG2 THR 4 2HG2 THR 4 -0.827 -0.866 -5.038 28 3HG2 THR 4 3HG2 THR 4 -0.104 0.260 -3.887 29 H ASN 5 H ASN 5 3.575 -3.517 -4.580 30 HA ASN 5 HA ASN 5 5.509 -4.127 -5.576 31 1HB ASN 5 1HB ASN 5 3.687 -4.243 -7.972 32 2HB ASN 5 2HB ASN 5 5.407 -4.605 -8.108 33 1HD2 ASN 5 1HD2 ASN 5 5.427 -5.805 -5.395 34 2HD2 ASN 5 2HD2 ASN 5 4.680 -7.351 -5.578 35 H VAL 6 H VAL 6 4.959 -1.603 -4.979 36 HA VAL 6 HA VAL 6 6.342 -0.004 -6.999 37 HB VAL 6 HB VAL 6 3.655 0.441 -5.762 38 1HG1 VAL 6 1HG1 VAL 6 3.724 2.802 -6.346 39 2HG1 VAL 6 2HG1 VAL 6 4.896 2.399 -5.092 40 3HG1 VAL 6 3HG1 VAL 6 5.434 2.652 -6.751 41 1HG2 VAL 6 1HG2 VAL 6 4.781 0.869 -8.521 42 2HG2 VAL 6 2HG2 VAL 6 3.722 -0.440 -8.001 43 3HG2 VAL 6 3HG2 VAL 6 3.119 1.217 -8.043 44 H LYS 7 H LYS 7 8.148 0.703 -6.011 45 HA LYS 7 HA LYS 7 8.512 0.782 -3.230 46 1HB LYS 7 1HB LYS 7 10.634 1.729 -3.611 47 2HB LYS 7 2HB LYS 7 10.335 0.704 -5.003 48 1HG LYS 7 1HG LYS 7 9.807 3.659 -5.035 49 2HG LYS 7 2HG LYS 7 11.380 2.969 -5.434 50 1HD LYS 7 1HD LYS 7 10.385 1.709 -7.260 51 2HD LYS 7 2HD LYS 7 8.784 2.314 -6.826 52 1HE LYS 7 1HE LYS 7 11.102 4.056 -7.645 53 2HE LYS 7 2HE LYS 7 9.826 3.516 -8.737 54 1HZ LYS 7 1HZ LYS 7 9.480 5.773 -7.808 55 2HZ LYS 7 2HZ LYS 7 9.333 5.090 -6.266 56 3HZ LYS 7 3HZ LYS 7 8.211 4.700 -7.473 57 H CYS 8 H CYS 8 8.586 2.479 -1.759 58 HA CYS 8 HA CYS 8 6.936 4.780 -2.574 59 1HB CYS 8 1HB CYS 8 5.984 4.627 -0.228 60 2HB CYS 8 2HB CYS 8 5.537 3.314 -1.318 61 H SER 9 H SER 9 7.169 6.700 -1.284 62 HA SER 9 HA SER 9 9.822 7.131 -0.206 63 1HB SER 9 1HB SER 9 8.878 9.475 0.149 64 2HB SER 9 2HB SER 9 8.931 8.920 -1.526 65 HG SER 9 HG SER 9 6.854 9.204 -1.584 66 H GLY 10 H GLY 10 6.473 7.339 0.902 67 1HA GLY 10 1HA GLY 10 7.342 6.422 3.558 68 2HA GLY 10 2HA GLY 10 6.261 7.807 3.419 69 H SER 11 H SER 11 5.489 5.519 4.815 70 HA SER 11 HA SER 11 4.185 3.578 3.266 71 1HB SER 11 1HB SER 11 3.505 4.453 6.084 72 2HB SER 11 2HB SER 11 3.071 2.921 5.328 73 HG SER 11 HG SER 11 5.480 3.758 6.403 74 H SER 12 H SER 12 3.342 6.801 3.957 75 HA SER 12 HA SER 12 0.537 6.694 3.967 76 1HB SER 12 1HB SER 12 0.777 9.150 3.337 77 2HB SER 12 2HB SER 12 1.607 8.638 4.808 78 HG SER 12 HG SER 12 2.640 9.517 2.397 79 H LYS 13 H LYS 13 2.739 6.225 1.419 80 HA LYS 13 HA LYS 13 1.361 7.353 -0.748 81 1HB LYS 13 1HB LYS 13 3.672 5.771 -0.358 82 2HB LYS 13 2HB LYS 13 2.682 4.935 -1.548 83 1HG LYS 13 1HG LYS 13 3.635 7.789 -1.706 84 2HG LYS 13 2HG LYS 13 4.257 6.422 -2.632 85 1HD LYS 13 1HD LYS 13 2.072 6.152 -3.701 86 2HD LYS 13 2HD LYS 13 1.444 7.513 -2.767 87 1HE LYS 13 1HE LYS 13 3.132 8.972 -3.817 88 2HE LYS 13 2HE LYS 13 3.682 7.608 -4.788 89 1HZ LYS 13 1HZ LYS 13 1.417 7.480 -5.732 90 2HZ LYS 13 2HZ LYS 13 2.200 8.944 -6.077 91 3HZ LYS 13 3HZ LYS 13 1.002 8.891 -4.881 92 H CYS 14 H CYS 14 1.325 3.988 0.439 93 HA CYS 14 HA CYS 14 -0.664 3.288 -1.520 94 1HB CYS 14 1HB CYS 14 0.903 1.783 0.512 95 2HB CYS 14 2HB CYS 14 -0.565 1.064 -0.148 96 H VAL 15 H VAL 15 -0.596 3.732 1.984 97 HA VAL 15 HA VAL 15 -2.895 2.379 2.667 98 HB VAL 15 HB VAL 15 -1.472 3.137 4.388 99 1HG1 VAL 15 1HG1 VAL 15 -0.605 5.073 3.188 100 2HG1 VAL 15 2HG1 VAL 15 -2.090 5.954 3.547 101 3HG1 VAL 15 3HG1 VAL 15 -1.022 5.458 4.862 102 1HG2 VAL 15 1HG2 VAL 15 -3.815 3.014 5.047 103 2HG2 VAL 15 2HG2 VAL 15 -2.991 4.306 5.922 104 3HG2 VAL 15 3HG2 VAL 15 -4.052 4.695 4.569 105 H LYS 16 H LYS 16 -2.647 5.609 1.284 106 HA LYS 16 HA LYS 16 -5.481 6.087 1.627 107 1HB LYS 16 1HB LYS 16 -3.305 7.750 1.375 108 2HB LYS 16 2HB LYS 16 -4.025 7.841 -0.226 109 1HG LYS 16 1HG LYS 16 -5.392 8.450 2.390 110 2HG LYS 16 2HG LYS 16 -4.859 9.618 1.183 111 1HD LYS 16 1HD LYS 16 -6.946 7.486 0.727 112 2HD LYS 16 2HD LYS 16 -7.291 9.176 1.094 113 1HE LYS 16 1HE LYS 16 -6.129 9.852 -0.957 114 2HE LYS 16 2HE LYS 16 -5.793 8.160 -1.322 115 1HZ LYS 16 1HZ LYS 16 -8.459 9.466 -1.200 116 2HZ LYS 16 2HZ LYS 16 -8.233 7.794 -1.350 117 3HZ LYS 16 3HZ LYS 16 -7.686 8.837 -2.572 118 H ILE 17 H ILE 17 -3.242 5.364 -1.048 119 HA ILE 17 HA ILE 17 -5.310 5.724 -3.010 120 HB ILE 17 HB ILE 17 -2.893 6.221 -3.427 121 1HG1 ILE 17 1HG1 ILE 17 -3.024 5.664 -5.745 122 2HG1 ILE 17 2HG1 ILE 17 -4.045 4.265 -5.413 123 1HG2 ILE 17 1HG2 ILE 17 -1.439 4.380 -4.157 124 2HG2 ILE 17 2HG2 ILE 17 -1.877 4.256 -2.453 125 3HG2 ILE 17 3HG2 ILE 17 -2.673 3.228 -3.645 126 1HD1 ILE 17 1HD1 ILE 17 -5.846 5.751 -4.702 127 2HD1 ILE 17 2HD1 ILE 17 -4.824 7.148 -5.056 128 3HD1 ILE 17 3HD1 ILE 17 -5.336 6.079 -6.363 129 H CYS 18 H CYS 18 -3.904 3.019 -1.340 130 HA CYS 18 HA CYS 18 -4.891 0.978 -3.012 131 1HB CYS 18 1HB CYS 18 -3.556 1.172 -0.478 132 2HB CYS 18 2HB CYS 18 -4.845 -0.016 -0.367 133 H ILE 19 H ILE 19 -6.495 3.111 -0.891 134 HA ILE 19 HA ILE 19 -8.848 1.454 -0.601 135 HB ILE 19 HB ILE 19 -8.572 4.402 -0.005 136 1HG1 ILE 19 1HG1 ILE 19 -8.226 2.073 1.897 137 2HG1 ILE 19 2HG1 ILE 19 -6.907 3.044 1.247 138 1HG2 ILE 19 1HG2 ILE 19 -10.539 2.345 1.003 139 2HG2 ILE 19 2HG2 ILE 19 -10.483 4.044 1.478 140 3HG2 ILE 19 3HG2 ILE 19 -10.877 3.606 -0.186 141 1HD1 ILE 19 1HD1 ILE 19 -7.822 5.018 2.342 142 2HD1 ILE 19 2HD1 ILE 19 -9.140 4.044 2.999 143 3HD1 ILE 19 3HD1 ILE 19 -7.478 3.732 3.501 144 H ASP 20 H ASP 20 -7.567 3.776 -2.785 145 HA ASP 20 HA ASP 20 -10.144 4.535 -3.888 146 1HB ASP 20 1HB ASP 20 -8.145 6.092 -3.628 147 2HB ASP 20 2HB ASP 20 -7.396 5.204 -4.946 148 H ARG 21 H ARG 21 -7.436 2.478 -4.582 149 HA ARG 21 HA ARG 21 -8.384 1.816 -7.243 150 1HB ARG 21 1HB ARG 21 -6.083 0.562 -5.753 151 2HB ARG 21 2HB ARG 21 -6.351 0.593 -7.491 152 1HG ARG 21 1HG ARG 21 -5.946 2.968 -7.557 153 2HG ARG 21 2HG ARG 21 -5.801 3.019 -5.798 154 1HD ARG 21 1HD ARG 21 -3.600 3.004 -6.561 155 2HD ARG 21 2HD ARG 21 -3.905 1.336 -6.085 156 HE ARG 21 HE ARG 21 -4.418 1.883 -8.875 157 1HH1 ARG 21 2HH1 ARG 21 -2.004 0.875 -6.528 158 2HH1 ARG 21 1HH1 ARG 21 -0.993 0.101 -7.713 159 1HH2 ARG 21 2HH2 ARG 21 -3.106 0.856 -10.415 160 2HH2 ARG 21 1HH2 ARG 21 -1.622 0.096 -9.927 161 H TYR 22 H TYR 22 -8.039 0.270 -4.065 162 HA TYR 22 HA TYR 22 -9.710 -1.935 -5.053 163 1HB TYR 22 1HB TYR 22 -7.623 -2.222 -2.886 164 2HB TYR 22 2HB TYR 22 -8.464 -3.499 -3.758 165 HD1 TYR 22 1HD TYR 22 -5.469 -1.683 -3.507 166 HD2 TYR 22 2HD TYR 22 -8.038 -3.518 -6.360 167 HE1 TYR 22 1HE TYR 22 -3.605 -1.798 -5.103 168 HE2 TYR 22 2HE TYR 22 -6.185 -3.637 -7.959 169 HH TYR 22 HH TYR 22 -2.964 -3.199 -7.093 170 H ASN 23 H ASN 23 -8.869 -2.353 -1.909 171 HA ASN 23 HA ASN 23 -10.533 -0.493 -0.566 172 1HB ASN 23 1HB ASN 23 -12.328 -1.935 -1.440 173 2HB ASN 23 2HB ASN 23 -11.558 -3.341 -0.710 174 1HD2 ASN 23 1HD2 ASN 23 -13.454 -3.737 0.493 175 2HD2 ASN 23 2HD2 ASN 23 -13.831 -2.796 1.897 176 H THR 24 H THR 24 -9.001 -0.134 0.949 177 HA THR 24 HA THR 24 -8.145 -2.443 2.558 178 HB THR 24 HB THR 24 -5.868 -1.465 2.720 179 HG1 THR 24 1HG THR 24 -6.905 0.672 1.797 180 1HG2 THR 24 1HG2 THR 24 -6.854 -2.139 -0.050 181 2HG2 THR 24 2HG2 THR 24 -6.170 -3.245 1.140 182 3HG2 THR 24 3HG2 THR 24 -5.152 -2.020 0.388 183 H ARG 25 H ARG 25 -7.335 -1.825 4.722 184 HA ARG 25 HA ARG 25 -8.555 0.681 5.662 185 1HB ARG 25 1HB ARG 25 -7.369 -1.344 7.528 186 2HB ARG 25 2HB ARG 25 -8.672 -0.205 7.815 187 1HG ARG 25 1HG ARG 25 -9.890 -2.105 7.722 188 2HG ARG 25 2HG ARG 25 -9.871 -1.733 5.995 189 1HD ARG 25 1HD ARG 25 -7.951 -3.205 5.691 190 2HD ARG 25 2HD ARG 25 -7.940 -3.559 7.418 191 HE ARG 25 HE ARG 25 -10.434 -4.167 6.096 192 1HH1 ARG 25 2HH1 ARG 25 -7.272 -5.329 7.074 193 2HH1 ARG 25 1HH1 ARG 25 -7.688 -7.000 6.875 194 1HH2 ARG 25 2HH2 ARG 25 -10.983 -6.379 5.859 195 2HH2 ARG 25 1HH2 ARG 25 -9.798 -7.603 6.201 196 H GLY 26 H GLY 26 -5.560 -1.152 5.557 197 1HA GLY 26 1HA GLY 26 -4.060 1.305 6.028 198 2HA GLY 26 2HA GLY 26 -3.797 -0.032 7.138 199 H ALA 27 H ALA 27 -1.971 1.280 5.278 200 HA ALA 27 HA ALA 27 -0.932 -1.180 4.103 201 1HB ALA 27 1HB ALA 27 -1.042 1.434 2.598 202 2HB ALA 27 2HB ALA 27 -0.319 -0.071 2.033 203 3HB ALA 27 3HB ALA 27 -2.064 0.033 2.273 204 H LYS 28 H LYS 28 1.273 -1.351 4.311 205 HA LYS 28 HA LYS 28 2.621 0.956 5.558 206 1HB LYS 28 1HB LYS 28 2.039 -0.769 7.252 207 2HB LYS 28 2HB LYS 28 2.995 -1.937 6.349 208 1HG LYS 28 1HG LYS 28 4.948 -0.329 6.652 209 2HG LYS 28 2HG LYS 28 3.941 0.483 7.851 210 1HD LYS 28 1HD LYS 28 3.744 -1.625 9.094 211 2HD LYS 28 2HD LYS 28 4.775 -2.415 7.901 212 1HE LYS 28 1HE LYS 28 6.166 -1.860 9.737 213 2HE LYS 28 2HE LYS 28 6.539 -0.713 8.450 214 1HZ LYS 28 1HZ LYS 28 6.288 0.245 10.741 215 2HZ LYS 28 2HZ LYS 28 4.630 -0.098 10.631 216 3HZ LYS 28 3HZ LYS 28 5.349 0.979 9.537 217 H CYS 29 H CYS 29 4.631 1.398 4.874 218 HA CYS 29 HA CYS 29 5.736 -0.065 2.655 219 1HB CYS 29 1HB CYS 29 6.560 2.365 4.223 220 2HB CYS 29 2HB CYS 29 7.615 1.658 3.016 221 H ILE 30 H ILE 30 6.722 -1.946 3.030 222 HA ILE 30 HA ILE 30 8.157 -2.236 5.589 223 HB ILE 30 HB ILE 30 6.121 -3.533 5.631 224 1HG1 ILE 30 1HG1 ILE 30 7.069 -5.818 5.989 225 2HG1 ILE 30 2HG1 ILE 30 8.585 -5.250 5.294 226 1HG2 ILE 30 1HG2 ILE 30 5.685 -5.355 4.066 227 2HG2 ILE 30 2HG2 ILE 30 5.748 -3.791 3.250 228 3HG2 ILE 30 3HG2 ILE 30 7.116 -4.899 3.137 229 1HD1 ILE 30 1HD1 ILE 30 8.692 -5.233 7.708 230 2HD1 ILE 30 2HD1 ILE 30 8.763 -3.585 7.080 231 3HD1 ILE 30 3HD1 ILE 30 7.267 -4.196 7.783 232 H ASN 31 H ASN 31 8.090 -3.342 2.206 233 HA ASN 31 HA ASN 31 10.811 -4.385 2.504 234 1HB ASN 31 1HB ASN 31 9.064 -5.828 1.477 235 2HB ASN 31 2HB ASN 31 8.860 -4.642 0.195 236 1HD2 ASN 31 1HD2 ASN 31 10.984 -7.054 1.566 237 2HD2 ASN 31 2HD2 ASN 31 11.998 -7.228 0.172 238 H GLY 32 H GLY 32 9.913 -1.503 2.311 239 1HA GLY 32 1HA GLY 32 11.098 0.346 1.429 240 2HA GLY 32 2HA GLY 32 11.693 -0.684 0.128 241 H ARG 33 H ARG 33 8.835 -1.731 0.091 242 HA ARG 33 HA ARG 33 7.542 0.512 -1.288 243 1HB ARG 33 1HB ARG 33 6.545 -1.025 -2.850 244 2HB ARG 33 2HB ARG 33 8.282 -1.277 -2.855 245 1HG ARG 33 1HG ARG 33 7.983 -3.246 -1.416 246 2HG ARG 33 2HG ARG 33 6.234 -3.004 -1.485 247 1HD ARG 33 1HD ARG 33 6.377 -3.172 -3.971 248 2HD ARG 33 2HD ARG 33 8.083 -3.592 -3.796 249 HE ARG 33 HE ARG 33 5.978 -5.225 -2.532 250 1HH1 ARG 33 2HH1 ARG 33 8.667 -4.918 -4.768 251 2HH1 ARG 33 1HH1 ARG 33 8.816 -6.636 -5.009 252 1HH2 ARG 33 2HH2 ARG 33 6.165 -7.451 -2.857 253 2HH2 ARG 33 1HH2 ARG 33 7.399 -8.077 -3.912 254 H CYS 34 H CYS 34 5.074 0.134 -1.336 255 HA CYS 34 HA CYS 34 4.421 -0.361 1.468 256 1HB CYS 34 1HB CYS 34 2.296 0.943 0.784 257 2HB CYS 34 2HB CYS 34 3.814 1.816 0.936 258 H THR 35 H THR 35 3.452 -2.139 2.022 259 HA THR 35 HA THR 35 1.852 -3.616 0.060 260 HB THR 35 HB THR 35 2.736 -4.517 2.815 261 HG1 THR 35 1HG THR 35 3.944 -5.076 0.284 262 1HG2 THR 35 1HG2 THR 35 0.842 -5.765 1.886 263 2HG2 THR 35 2HG2 THR 35 2.293 -6.765 1.934 264 3HG2 THR 35 3HG2 THR 35 1.757 -6.065 0.408 265 H CYS 36 H CYS 36 -0.307 -3.784 0.269 266 HA CYS 36 HA CYS 36 -1.553 -2.232 2.418 267 1HB CYS 36 1HB CYS 36 -2.812 -3.290 -0.117 268 2HB CYS 36 2HB CYS 36 -3.457 -2.057 0.966 269 H TYR 37 H TYR 37 -2.959 -3.129 3.870 270 HA TYR 37 HA TYR 37 -3.161 -6.066 3.706 271 1HB TYR 37 1HB TYR 37 -3.089 -4.363 6.204 272 2HB TYR 37 2HB TYR 37 -3.103 -6.123 6.137 273 HD1 TYR 37 1HD TYR 37 -1.061 -3.188 6.174 274 HD2 TYR 37 2HD TYR 37 -1.107 -7.280 4.996 275 HE1 TYR 37 1HE TYR 37 1.396 -3.181 6.072 276 HE2 TYR 37 2HE TYR 37 1.354 -7.279 4.900 277 HH TYR 37 HH TYR 37 3.246 -4.806 6.211 278 HA PRO 38 HA PRO 38 -7.552 -5.032 3.982 279 1HB PRO 38 1HB PRO 38 -8.192 -6.142 1.557 280 2HB PRO 38 2HB PRO 38 -7.657 -4.470 1.757 281 1HG PRO 38 1HG PRO 38 -6.278 -6.610 0.424 282 2HG PRO 38 2HG PRO 38 -5.733 -4.938 0.650 283 1HD PRO 38 1HD PRO 38 -5.096 -7.368 2.247 284 2HD PRO 38 2HD PRO 38 -4.119 -5.908 1.958 Start of MODEL 3 1 HN PCA 1 H PCA 1 -1.940 -11.674 -0.172 2 HA PCA 1 HA PCA 1 -2.947 -9.645 0.916 3 1HB PCA 1 1HB PCA 1 -1.406 -9.056 2.496 4 2HB PCA 1 2HB PCA 1 -0.629 -8.097 1.223 5 1HG PCA 1 1HG PCA 1 0.457 -10.281 2.565 6 2HG PCA 1 2HG PCA 1 1.071 -9.545 1.066 7 H ILE 2 H ILE 2 -2.499 -7.170 0.229 8 HA ILE 2 HA ILE 2 -2.459 -7.198 -2.687 9 HB ILE 2 HB ILE 2 -3.250 -5.068 -0.696 10 1HG1 ILE 2 1HG1 ILE 2 -4.882 -6.647 -2.697 11 2HG1 ILE 2 2HG1 ILE 2 -4.819 -6.953 -0.965 12 1HG2 ILE 2 1HG2 ILE 2 -2.262 -3.966 -2.605 13 2HG2 ILE 2 2HG2 ILE 2 -3.260 -4.915 -3.709 14 3HG2 ILE 2 3HG2 ILE 2 -4.009 -3.740 -2.627 15 1HD1 ILE 2 1HD1 ILE 2 -5.775 -4.735 -0.555 16 2HD1 ILE 2 2HD1 ILE 2 -5.876 -4.471 -2.296 17 3HD1 ILE 2 3HD1 ILE 2 -6.829 -5.751 -1.541 18 H ASP 3 H ASP 3 -0.375 -7.166 -3.414 19 HA ASP 3 HA ASP 3 1.233 -4.884 -2.498 20 1HB ASP 3 1HB ASP 3 2.315 -6.922 -1.739 21 2HB ASP 3 2HB ASP 3 2.243 -7.599 -3.366 22 H THR 4 H THR 4 1.599 -3.442 -3.999 23 HA THR 4 HA THR 4 1.068 -4.158 -6.779 24 HB THR 4 HB THR 4 1.247 -1.587 -7.045 25 HG1 THR 4 1HG THR 4 1.870 -0.686 -5.219 26 1HG2 THR 4 1HG2 THR 4 -0.861 -2.810 -7.190 27 2HG2 THR 4 2HG2 THR 4 -1.087 -1.298 -6.311 28 3HG2 THR 4 3HG2 THR 4 -0.989 -2.822 -5.431 29 H ASN 5 H ASN 5 3.642 -4.191 -4.819 30 HA ASN 5 HA ASN 5 5.890 -3.968 -4.990 31 1HB ASN 5 1HB ASN 5 5.614 -5.706 -6.658 32 2HB ASN 5 2HB ASN 5 5.275 -4.510 -7.904 33 1HD2 ASN 5 1HD2 ASN 5 6.994 -5.297 -9.156 34 2HD2 ASN 5 2HD2 ASN 5 8.637 -4.939 -8.764 35 H VAL 6 H VAL 6 5.560 -1.743 -4.381 36 HA VAL 6 HA VAL 6 6.365 0.136 -6.482 37 HB VAL 6 HB VAL 6 4.127 0.501 -4.494 38 1HG1 VAL 6 1HG1 VAL 6 3.862 2.764 -5.373 39 2HG1 VAL 6 2HG1 VAL 6 5.464 2.558 -4.665 40 3HG1 VAL 6 3HG1 VAL 6 5.265 2.536 -6.419 41 1HG2 VAL 6 1HG2 VAL 6 4.154 0.521 -7.508 42 2HG2 VAL 6 2HG2 VAL 6 3.467 -0.728 -6.471 43 3HG2 VAL 6 3HG2 VAL 6 2.756 0.883 -6.498 44 H LYS 7 H LYS 7 8.334 0.723 -5.813 45 HA LYS 7 HA LYS 7 9.376 0.866 -3.285 46 1HB LYS 7 1HB LYS 7 9.890 2.438 -5.782 47 2HB LYS 7 2HB LYS 7 10.714 2.888 -4.294 48 1HG LYS 7 1HG LYS 7 10.788 0.104 -5.426 49 2HG LYS 7 2HG LYS 7 11.974 1.347 -5.831 50 1HD LYS 7 1HD LYS 7 11.348 0.444 -3.023 51 2HD LYS 7 2HD LYS 7 12.694 -0.168 -3.987 52 1HE LYS 7 1HE LYS 7 13.675 2.027 -4.108 53 2HE LYS 7 2HE LYS 7 12.272 2.739 -3.313 54 1HZ LYS 7 1HZ LYS 7 12.839 1.738 -1.284 55 2HZ LYS 7 2HZ LYS 7 14.297 2.347 -1.894 56 3HZ LYS 7 3HZ LYS 7 13.962 0.690 -2.001 57 H CYS 8 H CYS 8 8.839 1.943 -1.520 58 HA CYS 8 HA CYS 8 6.684 3.857 -1.719 59 1HB CYS 8 1HB CYS 8 6.455 3.612 0.652 60 2HB CYS 8 2HB CYS 8 6.724 2.008 -0.022 61 H SER 9 H SER 9 6.719 5.943 -1.122 62 HA SER 9 HA SER 9 9.301 7.176 -0.490 63 1HB SER 9 1HB SER 9 7.798 9.298 -0.918 64 2HB SER 9 2HB SER 9 8.373 8.344 -2.289 65 HG SER 9 HG SER 9 6.395 7.451 -2.534 66 H GLY 10 H GLY 10 7.754 5.584 1.354 67 1HA GLY 10 1HA GLY 10 7.808 6.470 3.767 68 2HA GLY 10 2HA GLY 10 6.545 7.542 3.168 69 H SER 11 H SER 11 4.543 6.867 3.442 70 HA SER 11 HA SER 11 3.721 4.163 2.962 71 1HB SER 11 1HB SER 11 2.810 3.778 5.263 72 2HB SER 11 2HB SER 11 4.572 3.796 5.201 73 HG SER 11 HG SER 11 4.572 5.452 6.490 74 H SER 12 H SER 12 3.056 7.427 4.024 75 HA SER 12 HA SER 12 0.284 7.371 4.112 76 1HB SER 12 1HB SER 12 0.533 9.860 3.542 77 2HB SER 12 2HB SER 12 1.366 9.277 4.984 78 HG SER 12 HG SER 12 2.457 10.585 3.071 79 H LYS 13 H LYS 13 2.345 7.044 1.434 80 HA LYS 13 HA LYS 13 0.615 7.955 -0.621 81 1HB LYS 13 1HB LYS 13 3.155 7.344 -0.687 82 2HB LYS 13 2HB LYS 13 2.582 5.707 -0.952 83 1HG LYS 13 1HG LYS 13 1.869 8.044 -2.705 84 2HG LYS 13 2HG LYS 13 3.200 6.934 -3.018 85 1HD LYS 13 1HD LYS 13 1.507 5.069 -2.991 86 2HD LYS 13 2HD LYS 13 0.254 6.308 -2.949 87 1HE LYS 13 1HE LYS 13 2.323 5.916 -5.106 88 2HE LYS 13 2HE LYS 13 0.607 5.537 -5.217 89 1HZ LYS 13 1HZ LYS 13 1.828 8.231 -4.954 90 2HZ LYS 13 2HZ LYS 13 0.160 7.933 -4.854 91 3HZ LYS 13 3HZ LYS 13 0.996 7.605 -6.296 92 H CYS 14 H CYS 14 1.414 4.667 0.488 93 HA CYS 14 HA CYS 14 -0.510 3.412 -1.130 94 1HB CYS 14 1HB CYS 14 -0.107 1.545 0.738 95 2HB CYS 14 2HB CYS 14 1.048 1.876 -0.549 96 H VAL 15 H VAL 15 -0.574 4.234 2.325 97 HA VAL 15 HA VAL 15 -2.875 2.858 3.003 98 HB VAL 15 HB VAL 15 -1.453 3.778 4.699 99 1HG1 VAL 15 1HG1 VAL 15 -0.718 5.768 3.559 100 2HG1 VAL 15 2HG1 VAL 15 -2.327 6.475 3.699 101 3HG1 VAL 15 3HG1 VAL 15 -1.364 6.186 5.148 102 1HG2 VAL 15 1HG2 VAL 15 -3.791 3.435 5.315 103 2HG2 VAL 15 2HG2 VAL 15 -3.093 4.796 6.191 104 3HG2 VAL 15 3HG2 VAL 15 -4.168 5.086 4.824 105 H LYS 16 H LYS 16 -2.598 5.992 1.429 106 HA LYS 16 HA LYS 16 -5.428 6.506 1.752 107 1HB LYS 16 1HB LYS 16 -3.789 8.361 1.850 108 2HB LYS 16 2HB LYS 16 -3.375 8.058 0.167 109 1HG LYS 16 1HG LYS 16 -5.653 8.602 -0.507 110 2HG LYS 16 2HG LYS 16 -6.098 8.872 1.177 111 1HD LYS 16 1HD LYS 16 -5.693 10.994 0.104 112 2HD LYS 16 2HD LYS 16 -4.422 10.687 1.290 113 1HE LYS 16 1HE LYS 16 -2.931 9.947 -0.497 114 2HE LYS 16 2HE LYS 16 -4.205 10.229 -1.684 115 1HZ LYS 16 1HZ LYS 16 -2.971 12.308 0.045 116 2HZ LYS 16 2HZ LYS 16 -4.177 12.574 -1.119 117 3HZ LYS 16 3HZ LYS 16 -2.630 12.068 -1.600 118 H ILE 17 H ILE 17 -3.192 5.878 -0.965 119 HA ILE 17 HA ILE 17 -5.293 6.090 -2.886 120 HB ILE 17 HB ILE 17 -2.936 6.588 -3.433 121 1HG1 ILE 17 1HG1 ILE 17 -3.057 5.760 -5.683 122 2HG1 ILE 17 2HG1 ILE 17 -4.039 4.385 -5.181 123 1HG2 ILE 17 1HG2 ILE 17 -1.805 4.800 -2.278 124 2HG2 ILE 17 2HG2 ILE 17 -2.581 3.604 -3.319 125 3HG2 ILE 17 3HG2 ILE 17 -1.413 4.738 -3.995 126 1HD1 ILE 17 1HD1 ILE 17 -5.358 6.080 -6.334 127 2HD1 ILE 17 2HD1 ILE 17 -5.888 5.867 -4.662 128 3HD1 ILE 17 3HD1 ILE 17 -4.908 7.266 -5.112 129 H CYS 18 H CYS 18 -3.848 3.437 -1.151 130 HA CYS 18 HA CYS 18 -4.724 1.354 -2.819 131 1HB CYS 18 1HB CYS 18 -3.081 1.204 -0.887 132 2HB CYS 18 2HB CYS 18 -4.471 1.124 0.183 133 H ILE 19 H ILE 19 -6.402 3.333 -0.543 134 HA ILE 19 HA ILE 19 -8.730 1.738 -0.262 135 HB ILE 19 HB ILE 19 -8.518 4.747 -0.070 136 1HG1 ILE 19 1HG1 ILE 19 -8.294 2.668 2.120 137 2HG1 ILE 19 2HG1 ILE 19 -6.950 3.591 1.453 138 1HG2 ILE 19 1HG2 ILE 19 -10.518 4.567 1.347 139 2HG2 ILE 19 2HG2 ILE 19 -10.812 3.983 -0.292 140 3HG2 ILE 19 3HG2 ILE 19 -10.577 2.833 1.025 141 1HD1 ILE 19 1HD1 ILE 19 -7.692 4.510 3.579 142 2HD1 ILE 19 2HD1 ILE 19 -7.956 5.655 2.263 143 3HD1 ILE 19 3HD1 ILE 19 -9.313 4.741 2.920 144 H ASP 20 H ASP 20 -7.698 4.169 -2.597 145 HA ASP 20 HA ASP 20 -10.312 4.426 -3.789 146 1HB ASP 20 1HB ASP 20 -7.583 5.488 -4.497 147 2HB ASP 20 2HB ASP 20 -8.957 5.697 -5.575 148 H ARG 21 H ARG 21 -7.788 2.234 -4.017 149 HA ARG 21 HA ARG 21 -8.382 1.520 -6.790 150 1HB ARG 21 1HB ARG 21 -6.266 0.346 -4.994 151 2HB ARG 21 2HB ARG 21 -6.374 0.221 -6.746 152 1HG ARG 21 1HG ARG 21 -5.973 2.611 -6.948 153 2HG ARG 21 2HG ARG 21 -5.878 2.744 -5.188 154 1HD ARG 21 1HD ARG 21 -4.025 1.240 -7.021 155 2HD ARG 21 2HD ARG 21 -3.668 2.673 -6.057 156 HE ARG 21 HE ARG 21 -4.499 0.479 -4.438 157 1HH1 ARG 21 2HH1 ARG 21 -1.810 1.867 -6.171 158 2HH1 ARG 21 1HH1 ARG 21 -0.597 1.063 -5.213 159 1HH2 ARG 21 2HH2 ARG 21 -2.910 -0.625 -3.168 160 2HH2 ARG 21 1HH2 ARG 21 -1.231 -0.376 -3.519 161 H TYR 22 H TYR 22 -8.245 0.082 -3.545 162 HA TYR 22 HA TYR 22 -9.785 -2.182 -4.606 163 1HB TYR 22 1HB TYR 22 -7.866 -2.168 -2.260 164 2HB TYR 22 2HB TYR 22 -8.746 -3.568 -2.873 165 HD1 TYR 22 1HD TYR 22 -5.893 -1.360 -3.375 166 HD2 TYR 22 2HD TYR 22 -8.167 -4.537 -5.054 167 HE1 TYR 22 1HE TYR 22 -4.075 -1.801 -4.979 168 HE2 TYR 22 2HE TYR 22 -6.356 -4.999 -6.650 169 HH TYR 22 HH TYR 22 -4.478 -3.869 -7.676 170 H ASN 23 H ASN 23 -9.373 -2.160 -1.250 171 HA ASN 23 HA ASN 23 -11.519 -0.363 -0.617 172 1HB ASN 23 1HB ASN 23 -12.630 -2.478 -1.532 173 2HB ASN 23 2HB ASN 23 -12.054 -3.281 -0.075 174 1HD2 ASN 23 1HD2 ASN 23 -14.151 -3.692 0.630 175 2HD2 ASN 23 2HD2 ASN 23 -15.184 -2.437 1.241 176 H THR 24 H THR 24 -8.681 -1.275 0.140 177 HA THR 24 HA THR 24 -9.179 -1.873 2.970 178 HB THR 24 HB THR 24 -7.787 -3.553 1.945 179 HG1 THR 24 1HG THR 24 -6.299 -3.545 3.519 180 1HG2 THR 24 1HG2 THR 24 -6.914 -2.211 0.080 181 2HG2 THR 24 2HG2 THR 24 -5.626 -3.046 0.949 182 3HG2 THR 24 3HG2 THR 24 -5.892 -1.322 1.211 183 H ARG 25 H ARG 25 -8.372 -0.624 4.554 184 HA ARG 25 HA ARG 25 -7.433 2.028 3.738 185 1HB ARG 25 1HB ARG 25 -8.373 2.896 5.704 186 2HB ARG 25 2HB ARG 25 -9.535 1.689 5.177 187 1HG ARG 25 1HG ARG 25 -7.472 1.317 7.343 188 2HG ARG 25 2HG ARG 25 -9.189 1.630 7.590 189 1HD ARG 25 1HD ARG 25 -9.779 -0.481 6.628 190 2HD ARG 25 2HD ARG 25 -8.113 -0.773 6.114 191 HE ARG 25 HE ARG 25 -8.114 -0.409 8.890 192 1HH1 ARG 25 2HH1 ARG 25 -9.365 -2.706 6.542 193 2HH1 ARG 25 1HH1 ARG 25 -9.224 -4.062 7.629 194 1HH2 ARG 25 2HH2 ARG 25 -7.938 -2.199 10.303 195 2HH2 ARG 25 1HH2 ARG 25 -8.419 -3.777 9.747 196 H GLY 26 H GLY 26 -6.139 -0.801 4.706 197 1HA GLY 26 1HA GLY 26 -4.120 0.486 6.428 198 2HA GLY 26 2HA GLY 26 -4.616 -1.192 6.593 199 H ALA 27 H ALA 27 -2.615 1.041 4.931 200 HA ALA 27 HA ALA 27 -1.274 -1.224 3.630 201 1HB ALA 27 1HB ALA 27 -2.541 -0.025 1.919 202 2HB ALA 27 2HB ALA 27 -1.752 1.485 2.380 203 3HB ALA 27 3HB ALA 27 -0.805 0.175 1.672 204 H LYS 28 H LYS 28 0.862 -1.278 3.931 205 HA LYS 28 HA LYS 28 2.176 1.087 5.080 206 1HB LYS 28 1HB LYS 28 1.533 -0.465 6.918 207 2HB LYS 28 2HB LYS 28 2.447 -1.742 6.128 208 1HG LYS 28 1HG LYS 28 4.429 -0.068 6.306 209 2HG LYS 28 2HG LYS 28 3.433 0.686 7.552 210 1HD LYS 28 1HD LYS 28 4.980 -0.910 8.537 211 2HD LYS 28 2HD LYS 28 3.315 -1.460 8.738 212 1HE LYS 28 1HE LYS 28 3.579 -2.987 6.864 213 2HE LYS 28 2HE LYS 28 5.217 -2.393 6.589 214 1HZ LYS 28 1HZ LYS 28 5.929 -3.293 8.655 215 2HZ LYS 28 2HZ LYS 28 5.072 -4.526 7.859 216 3HZ LYS 28 3HZ LYS 28 4.342 -3.666 9.127 217 H CYS 29 H CYS 29 4.373 1.256 4.601 218 HA CYS 29 HA CYS 29 5.353 -0.439 2.463 219 1HB CYS 29 1HB CYS 29 5.843 1.891 2.221 220 2HB CYS 29 2HB CYS 29 6.472 1.990 3.861 221 H ILE 30 H ILE 30 6.678 -2.146 2.774 222 HA ILE 30 HA ILE 30 7.656 -2.498 5.522 223 HB ILE 30 HB ILE 30 6.005 -4.135 5.186 224 1HG1 ILE 30 1HG1 ILE 30 7.291 -6.275 5.261 225 2HG1 ILE 30 2HG1 ILE 30 8.728 -5.382 4.780 226 1HG2 ILE 30 1HG2 ILE 30 5.821 -5.627 3.338 227 2HG2 ILE 30 2HG2 ILE 30 5.938 -3.987 2.703 228 3HG2 ILE 30 3HG2 ILE 30 7.338 -5.060 2.650 229 1HD1 ILE 30 1HD1 ILE 30 8.677 -5.777 7.178 230 2HD1 ILE 30 2HD1 ILE 30 8.596 -4.054 6.810 231 3HD1 ILE 30 3HD1 ILE 30 7.139 -4.921 7.292 232 H ASN 31 H ASN 31 8.520 -3.975 2.357 233 HA ASN 31 HA ASN 31 11.311 -3.849 3.241 234 1HB ASN 31 1HB ASN 31 10.126 -6.001 2.374 235 2HB ASN 31 2HB ASN 31 10.352 -5.291 0.779 236 1HD2 ASN 31 1HD2 ASN 31 11.479 -7.723 1.812 237 2HD2 ASN 31 2HD2 ASN 31 13.198 -7.543 1.766 238 H GLY 32 H GLY 32 10.150 -1.447 2.487 239 1HA GLY 32 1HA GLY 32 11.043 0.371 1.324 240 2HA GLY 32 2HA GLY 32 11.843 -0.742 0.224 241 H ARG 33 H ARG 33 8.715 -1.743 0.580 242 HA ARG 33 HA ARG 33 7.709 0.002 -1.533 243 1HB ARG 33 1HB ARG 33 6.918 -1.760 -2.865 244 2HB ARG 33 2HB ARG 33 8.578 -2.177 -2.466 245 1HG ARG 33 1HG ARG 33 7.878 -3.781 -0.869 246 2HG ARG 33 2HG ARG 33 6.200 -3.234 -0.971 247 1HD ARG 33 1HD ARG 33 6.305 -5.176 -2.263 248 2HD ARG 33 2HD ARG 33 6.296 -3.844 -3.419 249 HE ARG 33 HE ARG 33 8.922 -4.286 -3.115 250 1HH1 ARG 33 2HH1 ARG 33 6.256 -6.485 -3.720 251 2HH1 ARG 33 1HH1 ARG 33 7.247 -7.640 -4.572 252 1HH2 ARG 33 2HH2 ARG 33 10.216 -5.809 -4.229 253 2HH2 ARG 33 1HH2 ARG 33 9.487 -7.250 -4.875 254 H CYS 34 H CYS 34 5.367 -0.000 -1.716 255 HA CYS 34 HA CYS 34 4.176 -0.184 0.930 256 1HB CYS 34 1HB CYS 34 3.567 1.280 -1.574 257 2HB CYS 34 2HB CYS 34 2.192 0.848 -0.563 258 H THR 35 H THR 35 3.052 -1.853 1.562 259 HA THR 35 HA THR 35 1.575 -3.441 -0.430 260 HB THR 35 HB THR 35 2.957 -4.441 2.074 261 HG1 THR 35 1HG THR 35 3.609 -4.509 -0.687 262 1HG2 THR 35 1HG2 THR 35 2.350 -6.687 1.259 263 2HG2 THR 35 2HG2 THR 35 1.419 -5.951 -0.047 264 3HG2 THR 35 3HG2 THR 35 0.927 -5.713 1.629 265 H CYS 36 H CYS 36 -0.514 -3.991 0.109 266 HA CYS 36 HA CYS 36 -1.636 -2.551 2.405 267 1HB CYS 36 1HB CYS 36 -3.102 -3.803 0.077 268 2HB CYS 36 2HB CYS 36 -3.748 -2.663 1.253 269 H TYR 37 H TYR 37 -2.563 -3.574 4.065 270 HA TYR 37 HA TYR 37 -2.762 -6.514 3.919 271 1HB TYR 37 1HB TYR 37 -2.149 -4.910 6.408 272 2HB TYR 37 2HB TYR 37 -2.086 -6.658 6.220 273 HD1 TYR 37 1HD TYR 37 -0.360 -3.495 5.620 274 HD2 TYR 37 2HD TYR 37 -0.195 -7.715 5.087 275 HE1 TYR 37 1HE TYR 37 2.044 -3.336 5.135 276 HE2 TYR 37 2HE TYR 37 2.208 -7.565 4.590 277 HH TYR 37 HH TYR 37 3.829 -5.938 3.818 278 HA PRO 38 HA PRO 38 -6.971 -4.923 4.994 279 1HB PRO 38 1HB PRO 38 -7.841 -7.123 3.256 280 2HB PRO 38 2HB PRO 38 -8.229 -5.404 3.157 281 1HG PRO 38 1HG PRO 38 -6.638 -6.559 1.343 282 2HG PRO 38 2HG PRO 38 -6.326 -4.904 1.925 283 1HD PRO 38 1HD PRO 38 -5.034 -7.483 2.803 284 2HD PRO 38 2HD PRO 38 -4.268 -5.941 2.344 Start of MODEL 4 1 HN PCA 1 H PCA 1 -2.511 -11.423 -0.092 2 HA PCA 1 HA PCA 1 -3.385 -9.267 0.998 3 1HB PCA 1 1HB PCA 1 -1.875 -8.662 2.583 4 2HB PCA 1 2HB PCA 1 -0.816 -8.078 1.288 5 1HG PCA 1 1HG PCA 1 -0.396 -10.269 3.005 6 2HG PCA 1 2HG PCA 1 0.568 -9.808 1.585 7 H ILE 2 H ILE 2 -2.870 -6.960 0.170 8 HA ILE 2 HA ILE 2 -2.568 -7.148 -2.713 9 HB ILE 2 HB ILE 2 -3.372 -4.825 -0.950 10 1HG1 ILE 2 1HG1 ILE 2 -4.988 -6.512 -2.869 11 2HG1 ILE 2 2HG1 ILE 2 -5.001 -6.687 -1.117 12 1HG2 ILE 2 1HG2 ILE 2 -4.008 -3.685 -3.044 13 2HG2 ILE 2 2HG2 ILE 2 -2.270 -3.960 -2.923 14 3HG2 ILE 2 3HG2 ILE 2 -3.259 -4.992 -3.961 15 1HD1 ILE 2 1HD1 ILE 2 -5.910 -4.282 -2.679 16 2HD1 ILE 2 2HD1 ILE 2 -6.937 -5.458 -1.858 17 3HD1 ILE 2 3HD1 ILE 2 -5.879 -4.405 -0.920 18 H ASP 3 H ASP 3 -0.319 -7.604 -2.754 19 HA ASP 3 HA ASP 3 1.457 -5.452 -1.921 20 1HB ASP 3 1HB ASP 3 2.201 -7.755 -1.538 21 2HB ASP 3 2HB ASP 3 2.067 -8.097 -3.262 22 H THR 4 H THR 4 1.510 -3.763 -3.195 23 HA THR 4 HA THR 4 0.609 -3.884 -5.903 24 HB THR 4 HB THR 4 1.209 -1.416 -5.889 25 HG1 THR 4 1HG THR 4 1.477 -1.619 -3.098 26 1HG2 THR 4 1HG2 THR 4 -0.588 -2.436 -3.684 27 2HG2 THR 4 2HG2 THR 4 -1.053 -2.194 -5.370 28 3HG2 THR 4 3HG2 THR 4 -0.623 -0.807 -4.364 29 H ASN 5 H ASN 5 3.659 -3.965 -4.316 30 HA ASN 5 HA ASN 5 5.805 -4.162 -5.023 31 1HB ASN 5 1HB ASN 5 4.784 -5.775 -6.718 32 2HB ASN 5 2HB ASN 5 4.756 -4.428 -7.853 33 1HD2 ASN 5 1HD2 ASN 5 6.172 -5.511 -9.246 34 2HD2 ASN 5 2HD2 ASN 5 7.862 -5.654 -8.897 35 H VAL 6 H VAL 6 4.749 -1.836 -4.517 36 HA VAL 6 HA VAL 6 5.639 0.051 -6.585 37 HB VAL 6 HB VAL 6 3.126 -0.048 -4.946 38 1HG1 VAL 6 1HG1 VAL 6 2.652 2.273 -5.503 39 2HG1 VAL 6 2HG1 VAL 6 4.072 2.127 -4.468 40 3HG1 VAL 6 3HG1 VAL 6 4.269 2.442 -6.192 41 1HG2 VAL 6 1HG2 VAL 6 3.686 0.558 -7.845 42 2HG2 VAL 6 2HG2 VAL 6 3.051 -0.951 -7.191 43 3HG2 VAL 6 3HG2 VAL 6 2.088 0.524 -7.099 44 H LYS 7 H LYS 7 7.061 1.514 -5.882 45 HA LYS 7 HA LYS 7 8.292 1.190 -3.388 46 1HB LYS 7 1HB LYS 7 8.471 3.538 -5.284 47 2HB LYS 7 2HB LYS 7 9.602 3.189 -3.983 48 1HG LYS 7 1HG LYS 7 9.092 1.466 -6.401 49 2HG LYS 7 2HG LYS 7 10.496 2.503 -6.137 50 1HD LYS 7 1HD LYS 7 11.097 1.165 -4.164 51 2HD LYS 7 2HD LYS 7 9.696 0.130 -4.451 52 1HE LYS 7 1HE LYS 7 11.761 -0.885 -5.291 53 2HE LYS 7 2HE LYS 7 10.620 -0.557 -6.595 54 1HZ LYS 7 1HZ LYS 7 11.870 1.318 -7.274 55 2HZ LYS 7 2HZ LYS 7 12.985 0.058 -7.060 56 3HZ LYS 7 3HZ LYS 7 12.845 1.276 -5.887 57 H CYS 8 H CYS 8 8.332 2.447 -1.526 58 HA CYS 8 HA CYS 8 5.879 4.013 -1.146 59 1HB CYS 8 1HB CYS 8 6.384 3.578 1.319 60 2HB CYS 8 2HB CYS 8 5.848 2.211 0.352 61 H SER 9 H SER 9 5.959 6.099 -0.749 62 HA SER 9 HA SER 9 8.530 7.371 -0.233 63 1HB SER 9 1HB SER 9 5.849 8.650 -0.810 64 2HB SER 9 2HB SER 9 7.429 9.431 -0.862 65 HG SER 9 HG SER 9 7.175 8.922 -2.923 66 H GLY 10 H GLY 10 6.872 5.840 1.794 67 1HA GLY 10 1HA GLY 10 7.288 6.458 4.161 68 2HA GLY 10 2HA GLY 10 6.617 8.023 3.757 69 H SER 11 H SER 11 5.310 5.015 2.634 70 HA SER 11 HA SER 11 3.470 3.783 3.107 71 1HB SER 11 1HB SER 11 3.481 5.333 5.708 72 2HB SER 11 2HB SER 11 2.404 3.977 5.356 73 HG SER 11 HG SER 11 4.914 3.905 6.254 74 H SER 12 H SER 12 3.066 7.281 3.699 75 HA SER 12 HA SER 12 0.280 7.354 3.308 76 1HB SER 12 1HB SER 12 1.652 9.225 4.218 77 2HB SER 12 2HB SER 12 2.268 9.520 2.594 78 HG SER 12 HG SER 12 -0.481 9.594 3.346 79 H LYS 13 H LYS 13 2.892 6.912 1.160 80 HA LYS 13 HA LYS 13 1.844 7.546 -1.331 81 1HB LYS 13 1HB LYS 13 4.166 6.839 -0.913 82 2HB LYS 13 2HB LYS 13 3.609 5.218 -0.534 83 1HG LYS 13 1HG LYS 13 4.503 5.203 -2.736 84 2HG LYS 13 2HG LYS 13 2.751 5.046 -2.866 85 1HD LYS 13 1HD LYS 13 2.501 7.284 -3.569 86 2HD LYS 13 2HD LYS 13 4.150 7.698 -3.093 87 1HE LYS 13 1HE LYS 13 3.992 7.496 -5.505 88 2HE LYS 13 2HE LYS 13 5.012 6.219 -4.846 89 1HZ LYS 13 1HZ LYS 13 2.172 5.933 -5.669 90 2HZ LYS 13 2HZ LYS 13 3.129 4.704 -5.005 91 3HZ LYS 13 3HZ LYS 13 3.521 5.350 -6.518 92 H CYS 14 H CYS 14 1.408 4.653 0.663 93 HA CYS 14 HA CYS 14 -0.292 3.453 -1.390 94 1HB CYS 14 1HB CYS 14 -0.185 1.552 0.473 95 2HB CYS 14 2HB CYS 14 1.092 1.773 -0.718 96 H VAL 15 H VAL 15 -0.383 4.255 2.076 97 HA VAL 15 HA VAL 15 -2.929 3.170 2.558 98 HB VAL 15 HB VAL 15 -1.271 3.669 4.309 99 1HG1 VAL 15 1HG1 VAL 15 -0.968 5.923 5.114 100 2HG1 VAL 15 2HG1 VAL 15 -0.515 5.785 3.412 101 3HG1 VAL 15 3HG1 VAL 15 -2.050 6.533 3.859 102 1HG2 VAL 15 1HG2 VAL 15 -3.942 5.011 4.735 103 2HG2 VAL 15 2HG2 VAL 15 -3.576 3.304 4.975 104 3HG2 VAL 15 3HG2 VAL 15 -2.825 4.518 6.011 105 H LYS 16 H LYS 16 -2.116 5.932 0.806 106 HA LYS 16 HA LYS 16 -4.741 7.126 1.229 107 1HB LYS 16 1HB LYS 16 -2.797 8.628 1.156 108 2HB LYS 16 2HB LYS 16 -2.423 8.068 -0.468 109 1HG LYS 16 1HG LYS 16 -4.510 8.992 -1.290 110 2HG LYS 16 2HG LYS 16 -4.937 9.513 0.341 111 1HD LYS 16 1HD LYS 16 -4.075 11.383 -0.938 112 2HD LYS 16 2HD LYS 16 -2.962 10.982 0.370 113 1HE LYS 16 1HE LYS 16 -2.549 9.788 -2.336 114 2HE LYS 16 2HE LYS 16 -2.077 11.460 -2.051 115 1HZ LYS 16 1HZ LYS 16 -1.116 9.118 -0.494 116 2HZ LYS 16 2HZ LYS 16 -0.652 10.727 -0.253 117 3HZ LYS 16 3HZ LYS 16 -0.238 9.933 -1.695 118 H ILE 17 H ILE 17 -2.764 5.791 -1.436 119 HA ILE 17 HA ILE 17 -4.991 6.134 -3.254 120 HB ILE 17 HB ILE 17 -2.619 6.586 -3.918 121 1HG1 ILE 17 1HG1 ILE 17 -3.005 5.972 -6.168 122 2HG1 ILE 17 2HG1 ILE 17 -3.894 4.523 -5.702 123 1HG2 ILE 17 1HG2 ILE 17 -1.233 4.723 -4.655 124 2HG2 ILE 17 2HG2 ILE 17 -1.547 4.646 -2.921 125 3HG2 ILE 17 3HG2 ILE 17 -2.425 3.586 -4.022 126 1HD1 ILE 17 1HD1 ILE 17 -5.372 6.251 -6.583 127 2HD1 ILE 17 2HD1 ILE 17 -5.731 5.894 -4.890 128 3HD1 ILE 17 3HD1 ILE 17 -4.839 7.357 -5.317 129 H CYS 18 H CYS 18 -3.408 3.495 -1.591 130 HA CYS 18 HA CYS 18 -4.465 1.373 -3.127 131 1HB CYS 18 1HB CYS 18 -2.622 1.355 -1.279 132 2HB CYS 18 2HB CYS 18 -3.968 1.143 -0.168 133 H ILE 19 H ILE 19 -5.798 3.418 -0.705 134 HA ILE 19 HA ILE 19 -8.079 1.798 -0.121 135 HB ILE 19 HB ILE 19 -7.304 4.625 0.565 136 1HG1 ILE 19 1HG1 ILE 19 -7.446 3.794 2.882 137 2HG1 ILE 19 2HG1 ILE 19 -7.928 2.214 2.285 138 1HG2 ILE 19 1HG2 ILE 19 -9.370 4.843 1.882 139 2HG2 ILE 19 2HG2 ILE 19 -9.680 4.740 0.151 140 3HG2 ILE 19 3HG2 ILE 19 -9.959 3.336 1.182 141 1HD1 ILE 19 1HD1 ILE 19 -5.772 1.927 1.231 142 2HD1 ILE 19 2HD1 ILE 19 -5.291 3.548 1.731 143 3HD1 ILE 19 3HD1 ILE 19 -5.575 2.299 2.943 144 H ASP 20 H ASP 20 -7.291 4.361 -2.342 145 HA ASP 20 HA ASP 20 -9.998 4.833 -3.187 146 1HB ASP 20 1HB ASP 20 -8.367 6.623 -3.375 147 2HB ASP 20 2HB ASP 20 -7.326 5.622 -4.380 148 H ARG 21 H ARG 21 -7.281 2.903 -4.184 149 HA ARG 21 HA ARG 21 -8.376 2.106 -6.694 150 1HB ARG 21 1HB ARG 21 -6.081 1.053 -5.047 151 2HB ARG 21 2HB ARG 21 -6.509 0.407 -6.621 152 1HG ARG 21 1HG ARG 21 -6.057 2.548 -7.658 153 2HG ARG 21 2HG ARG 21 -5.710 3.257 -6.079 154 1HD ARG 21 1HD ARG 21 -3.807 1.863 -5.783 155 2HD ARG 21 2HD ARG 21 -4.202 0.914 -7.218 156 HE ARG 21 HE ARG 21 -3.780 3.716 -7.750 157 1HH1 ARG 21 2HH1 ARG 21 -2.278 0.562 -7.481 158 2HH1 ARG 21 1HH1 ARG 21 -0.878 1.004 -8.405 159 1HH2 ARG 21 2HH2 ARG 21 -1.923 4.314 -8.952 160 2HH2 ARG 21 1HH2 ARG 21 -0.663 3.142 -9.228 161 H TYR 22 H TYR 22 -8.024 0.424 -3.533 162 HA TYR 22 HA TYR 22 -9.575 -1.773 -4.721 163 1HB TYR 22 1HB TYR 22 -7.565 -1.903 -2.469 164 2HB TYR 22 2HB TYR 22 -8.440 -3.268 -3.155 165 HD1 TYR 22 1HD TYR 22 -5.631 -1.006 -3.536 166 HD2 TYR 22 2HD TYR 22 -7.948 -4.011 -5.466 167 HE1 TYR 22 1HE TYR 22 -3.841 -1.320 -5.184 168 HE2 TYR 22 2HE TYR 22 -6.159 -4.333 -7.121 169 HH TYR 22 HH TYR 22 -4.264 -3.031 -8.062 170 H ASN 23 H ASN 23 -8.962 -2.123 -1.450 171 HA ASN 23 HA ASN 23 -11.468 -1.080 -0.470 172 1HB ASN 23 1HB ASN 23 -12.499 -3.249 -0.020 173 2HB ASN 23 2HB ASN 23 -12.187 -3.090 -1.745 174 1HD2 ASN 23 1HD2 ASN 23 -12.566 -5.507 -0.186 175 2HD2 ASN 23 2HD2 ASN 23 -11.131 -6.453 -0.403 176 H THR 24 H THR 24 -8.509 -1.213 0.133 177 HA THR 24 HA THR 24 -8.498 -2.712 2.660 178 HB THR 24 HB THR 24 -6.711 -3.258 1.045 179 HG1 THR 24 1HG THR 24 -6.273 -3.304 3.364 180 1HG2 THR 24 1HG2 THR 24 -5.882 -0.376 1.400 181 2HG2 THR 24 2HG2 THR 24 -6.540 -1.100 -0.068 182 3HG2 THR 24 3HG2 THR 24 -4.966 -1.610 0.535 183 H ARG 25 H ARG 25 -7.152 -1.637 4.431 184 HA ARG 25 HA ARG 25 -7.096 1.281 4.280 185 1HB ARG 25 1HB ARG 25 -8.087 1.560 6.483 186 2HB ARG 25 2HB ARG 25 -9.213 0.734 5.418 187 1HG ARG 25 1HG ARG 25 -7.445 -0.829 7.257 188 2HG ARG 25 2HG ARG 25 -8.931 -0.086 7.849 189 1HD ARG 25 1HD ARG 25 -8.782 -1.973 5.498 190 2HD ARG 25 2HD ARG 25 -9.193 -2.459 7.144 191 HE ARG 25 HE ARG 25 -10.873 -0.337 6.332 192 1HH1 ARG 25 2HH1 ARG 25 -10.319 -3.744 5.738 193 2HH1 ARG 25 1HH1 ARG 25 -11.984 -4.078 5.351 194 1HH2 ARG 25 2HH2 ARG 25 -13.062 -0.777 5.848 195 2HH2 ARG 25 1HH2 ARG 25 -13.542 -2.388 5.410 196 H GLY 26 H GLY 26 -5.496 -1.501 4.796 197 1HA GLY 26 1HA GLY 26 -3.718 -0.302 6.830 198 2HA GLY 26 2HA GLY 26 -4.031 -2.029 6.721 199 H ALA 27 H ALA 27 -2.832 0.653 4.711 200 HA ALA 27 HA ALA 27 -0.980 -1.250 3.445 201 1HB ALA 27 1HB ALA 27 -1.887 1.488 2.537 202 2HB ALA 27 2HB ALA 27 -0.728 0.467 1.682 203 3HB ALA 27 3HB ALA 27 -2.400 -0.063 1.871 204 H LYS 28 H LYS 28 1.186 -1.020 3.697 205 HA LYS 28 HA LYS 28 2.174 1.348 5.114 206 1HB LYS 28 1HB LYS 28 1.580 -0.342 6.810 207 2HB LYS 28 2HB LYS 28 2.632 -1.505 6.015 208 1HG LYS 28 1HG LYS 28 4.566 -0.107 6.519 209 2HG LYS 28 2HG LYS 28 3.510 1.075 7.298 210 1HD LYS 28 1HD LYS 28 2.826 -0.630 8.928 211 2HD LYS 28 2HD LYS 28 3.908 -1.792 8.156 212 1HE LYS 28 1HE LYS 28 5.821 -0.354 8.693 213 2HE LYS 28 2HE LYS 28 4.733 0.795 9.474 214 1HZ LYS 28 1HZ LYS 28 5.774 -0.638 11.100 215 2HZ LYS 28 2HZ LYS 28 5.200 -2.018 10.306 216 3HZ LYS 28 3HZ LYS 28 4.107 -0.952 11.045 217 H CYS 29 H CYS 29 4.343 1.790 4.843 218 HA CYS 29 HA CYS 29 5.749 0.526 2.657 219 1HB CYS 29 1HB CYS 29 5.948 2.928 2.974 220 2HB CYS 29 2HB CYS 29 6.505 2.706 4.621 221 H ILE 30 H ILE 30 6.698 -1.409 3.008 222 HA ILE 30 HA ILE 30 7.731 -1.960 5.709 223 HB ILE 30 HB ILE 30 5.587 -2.935 5.711 224 1HG1 ILE 30 1HG1 ILE 30 6.066 -5.420 5.719 225 2HG1 ILE 30 2HG1 ILE 30 7.681 -5.033 5.132 226 1HG2 ILE 30 1HG2 ILE 30 4.768 -4.460 3.981 227 2HG2 ILE 30 2HG2 ILE 30 5.103 -2.847 3.350 228 3HG2 ILE 30 3HG2 ILE 30 6.233 -4.167 3.041 229 1HD1 ILE 30 1HD1 ILE 30 7.622 -5.394 7.546 230 2HD1 ILE 30 2HD1 ILE 30 8.127 -3.755 7.135 231 3HD1 ILE 30 3HD1 ILE 30 6.490 -4.054 7.714 232 H ASN 31 H ASN 31 7.724 -3.076 2.324 233 HA ASN 31 HA ASN 31 10.250 -4.490 2.876 234 1HB ASN 31 1HB ASN 31 8.267 -4.907 0.621 235 2HB ASN 31 2HB ASN 31 9.768 -5.800 0.825 236 1HD2 ASN 31 1HD2 ASN 31 6.487 -5.495 1.752 237 2HD2 ASN 31 2HD2 ASN 31 6.435 -6.828 2.855 238 H GLY 32 H GLY 32 10.221 -1.670 2.457 239 1HA GLY 32 1HA GLY 32 11.425 -0.128 1.209 240 2HA GLY 32 2HA GLY 32 11.874 -1.419 0.095 241 H ARG 33 H ARG 33 8.768 -1.850 0.369 242 HA ARG 33 HA ARG 33 7.848 0.271 -1.390 243 1HB ARG 33 1HB ARG 33 6.858 -1.264 -2.953 244 2HB ARG 33 2HB ARG 33 8.567 -1.644 -2.814 245 1HG ARG 33 1HG ARG 33 8.038 -3.525 -1.351 246 2HG ARG 33 2HG ARG 33 6.319 -3.132 -1.470 247 1HD ARG 33 1HD ARG 33 6.450 -3.443 -3.912 248 2HD ARG 33 2HD ARG 33 8.140 -3.919 -3.739 249 HE ARG 33 HE ARG 33 5.815 -5.449 -2.745 250 1HH1 ARG 33 2HH1 ARG 33 9.214 -5.246 -3.583 251 2HH1 ARG 33 1HH1 ARG 33 9.439 -6.970 -3.626 252 1HH2 ARG 33 2HH2 ARG 33 6.096 -7.702 -2.849 253 2HH2 ARG 33 1HH2 ARG 33 7.662 -8.366 -3.218 254 H CYS 34 H CYS 34 5.349 -0.213 -1.751 255 HA CYS 34 HA CYS 34 4.293 -0.415 0.958 256 1HB CYS 34 1HB CYS 34 3.441 0.927 -1.544 257 2HB CYS 34 2HB CYS 34 2.185 0.440 -0.410 258 H THR 35 H THR 35 3.225 -2.074 1.654 259 HA THR 35 HA THR 35 1.834 -3.806 -0.278 260 HB THR 35 HB THR 35 3.040 -4.617 2.381 261 HG1 THR 35 1HG THR 35 3.881 -5.255 -0.287 262 1HG2 THR 35 1HG2 THR 35 2.530 -6.912 1.649 263 2HG2 THR 35 2HG2 THR 35 1.722 -6.266 0.219 264 3HG2 THR 35 3HG2 THR 35 1.070 -5.937 1.827 265 H CYS 36 H CYS 36 -0.305 -4.090 0.056 266 HA CYS 36 HA CYS 36 -1.500 -2.651 2.314 267 1HB CYS 36 1HB CYS 36 -2.837 -3.674 -0.194 268 2HB CYS 36 2HB CYS 36 -3.525 -2.578 0.998 269 H TYR 37 H TYR 37 -2.406 -3.717 3.936 270 HA TYR 37 HA TYR 37 -2.832 -6.616 3.632 271 1HB TYR 37 1HB TYR 37 -2.454 -5.064 6.197 272 2HB TYR 37 2HB TYR 37 -2.437 -6.811 6.002 273 HD1 TYR 37 1HD TYR 37 -0.533 -3.700 5.442 274 HD2 TYR 37 2HD TYR 37 -0.467 -7.952 5.239 275 HE1 TYR 37 1HE TYR 37 1.917 -3.647 5.220 276 HE2 TYR 37 2HE TYR 37 1.978 -7.908 5.004 277 HH TYR 37 HH TYR 37 3.743 -6.405 4.322 278 HA PRO 38 HA PRO 38 -7.105 -5.100 4.288 279 1HB PRO 38 1HB PRO 38 -7.869 -7.198 2.418 280 2HB PRO 38 2HB PRO 38 -8.051 -5.449 2.251 281 1HG PRO 38 1HG PRO 38 -6.334 -6.863 0.719 282 2HG PRO 38 2HG PRO 38 -5.991 -5.196 1.240 283 1HD PRO 38 1HD PRO 38 -5.029 -7.777 2.462 284 2HD PRO 38 2HD PRO 38 -4.087 -6.334 2.010 Start of MODEL 5 1 HN PCA 1 H PCA 1 -1.773 -11.260 0.303 2 HA PCA 1 HA PCA 1 -3.018 -9.143 1.327 3 1HB PCA 1 1HB PCA 1 -1.760 -8.258 2.998 4 2HB PCA 1 2HB PCA 1 -0.349 -8.118 1.936 5 1HG PCA 1 1HG PCA 1 -0.916 -10.080 3.961 6 2HG PCA 1 2HG PCA 1 0.561 -9.857 2.997 7 H ILE 2 H ILE 2 -2.589 -6.920 0.454 8 HA ILE 2 HA ILE 2 -2.077 -7.061 -2.324 9 HB ILE 2 HB ILE 2 -2.831 -4.895 -0.424 10 1HG1 ILE 2 1HG1 ILE 2 -4.547 -4.513 -2.249 11 2HG1 ILE 2 2HG1 ILE 2 -3.896 -5.939 -3.041 12 1HG2 ILE 2 1HG2 ILE 2 -1.104 -3.736 -1.611 13 2HG2 ILE 2 2HG2 ILE 2 -1.703 -4.334 -3.162 14 3HG2 ILE 2 3HG2 ILE 2 -2.663 -3.187 -2.226 15 1HD1 ILE 2 1HD1 ILE 2 -5.905 -6.445 -1.787 16 2HD1 ILE 2 2HD1 ILE 2 -4.507 -7.299 -1.129 17 3HD1 ILE 2 3HD1 ILE 2 -5.136 -5.870 -0.306 18 H ASP 3 H ASP 3 -0.072 -7.399 -3.046 19 HA ASP 3 HA ASP 3 1.985 -5.517 -2.112 20 1HB ASP 3 1HB ASP 3 2.755 -7.797 -1.809 21 2HB ASP 3 2HB ASP 3 2.338 -8.194 -3.476 22 H THR 4 H THR 4 1.712 -3.808 -3.364 23 HA THR 4 HA THR 4 0.897 -3.898 -6.079 24 HB THR 4 HB THR 4 1.448 -1.488 -6.097 25 HG1 THR 4 1HG THR 4 2.207 -1.663 -3.379 26 1HG2 THR 4 1HG2 THR 4 -0.083 -0.783 -4.317 27 2HG2 THR 4 2HG2 THR 4 0.057 -2.370 -3.561 28 3HG2 THR 4 3HG2 THR 4 -0.698 -2.213 -5.147 29 H ASN 5 H ASN 5 3.882 -4.240 -4.467 30 HA ASN 5 HA ASN 5 6.048 -4.345 -5.075 31 1HB ASN 5 1HB ASN 5 4.792 -5.947 -6.814 32 2HB ASN 5 2HB ASN 5 5.380 -4.742 -7.957 33 1HD2 ASN 5 1HD2 ASN 5 6.217 -7.287 -5.796 34 2HD2 ASN 5 2HD2 ASN 5 7.884 -7.415 -6.254 35 H VAL 6 H VAL 6 4.783 -1.906 -5.017 36 HA VAL 6 HA VAL 6 6.249 -0.338 -7.028 37 HB VAL 6 HB VAL 6 3.543 0.302 -5.841 38 1HG1 VAL 6 1HG1 VAL 6 5.206 1.863 -7.818 39 2HG1 VAL 6 2HG1 VAL 6 3.560 2.260 -7.321 40 3HG1 VAL 6 3HG1 VAL 6 4.875 2.317 -6.147 41 1HG2 VAL 6 1HG2 VAL 6 3.381 -1.405 -7.558 42 2HG2 VAL 6 2HG2 VAL 6 2.718 0.118 -8.152 43 3HG2 VAL 6 3HG2 VAL 6 4.321 -0.407 -8.669 44 H LYS 7 H LYS 7 7.716 0.849 -6.132 45 HA LYS 7 HA LYS 7 8.341 0.975 -3.480 46 1HB LYS 7 1HB LYS 7 8.947 3.087 -5.554 47 2HB LYS 7 2HB LYS 7 9.776 2.898 -4.017 48 1HG LYS 7 1HG LYS 7 10.644 0.753 -4.703 49 2HG LYS 7 2HG LYS 7 9.741 0.850 -6.219 50 1HD LYS 7 1HD LYS 7 11.918 2.743 -5.326 51 2HD LYS 7 2HD LYS 7 12.079 1.482 -6.550 52 1HE LYS 7 1HE LYS 7 10.568 2.586 -8.010 53 2HE LYS 7 2HE LYS 7 10.062 3.710 -6.750 54 1HZ LYS 7 1HZ LYS 7 11.599 4.715 -8.347 55 2HZ LYS 7 2HZ LYS 7 12.791 3.587 -7.919 56 3HZ LYS 7 3HZ LYS 7 12.234 4.711 -6.776 57 H CYS 8 H CYS 8 7.976 2.282 -1.793 58 HA CYS 8 HA CYS 8 5.631 4.012 -1.963 59 1HB CYS 8 1HB CYS 8 5.496 3.808 0.413 60 2HB CYS 8 2HB CYS 8 5.901 2.202 -0.186 61 H SER 9 H SER 9 5.672 6.104 -0.928 62 HA SER 9 HA SER 9 8.343 7.316 -0.664 63 1HB SER 9 1HB SER 9 5.680 8.734 -0.953 64 2HB SER 9 2HB SER 9 7.288 9.453 -1.066 65 HG SER 9 HG SER 9 7.458 7.725 -2.867 66 H GLY 10 H GLY 10 7.178 5.582 1.222 67 1HA GLY 10 1HA GLY 10 7.076 5.807 3.636 68 2HA GLY 10 2HA GLY 10 6.280 7.363 3.391 69 H SER 11 H SER 11 5.185 5.258 4.962 70 HA SER 11 HA SER 11 3.391 3.631 3.532 71 1HB SER 11 1HB SER 11 2.222 3.507 5.816 72 2HB SER 11 2HB SER 11 3.904 2.975 5.740 73 HG SER 11 HG SER 11 3.283 4.460 7.515 74 H SER 12 H SER 12 3.283 6.954 4.373 75 HA SER 12 HA SER 12 0.556 7.404 4.681 76 1HB SER 12 1HB SER 12 2.654 9.282 3.588 77 2HB SER 12 2HB SER 12 1.074 9.751 4.216 78 HG SER 12 HG SER 12 2.056 8.320 6.111 79 H LYS 13 H LYS 13 2.436 7.015 1.743 80 HA LYS 13 HA LYS 13 0.390 8.011 0.009 81 1HB LYS 13 1HB LYS 13 2.730 7.882 -0.743 82 2HB LYS 13 2HB LYS 13 2.680 6.126 -0.602 83 1HG LYS 13 1HG LYS 13 1.026 5.985 -2.346 84 2HG LYS 13 2HG LYS 13 0.927 7.744 -2.440 85 1HD LYS 13 1HD LYS 13 3.391 6.106 -3.037 86 2HD LYS 13 2HD LYS 13 2.284 6.755 -4.248 87 1HE LYS 13 1HE LYS 13 2.762 9.036 -3.360 88 2HE LYS 13 2HE LYS 13 3.991 8.323 -2.316 89 1HZ LYS 13 1HZ LYS 13 5.047 7.442 -4.383 90 2HZ LYS 13 2HZ LYS 13 5.072 9.132 -4.240 91 3HZ LYS 13 3HZ LYS 13 3.957 8.389 -5.278 92 H CYS 14 H CYS 14 1.449 4.784 0.981 93 HA CYS 14 HA CYS 14 -0.370 3.363 -0.619 94 1HB CYS 14 1HB CYS 14 0.482 2.073 1.890 95 2HB CYS 14 2HB CYS 14 0.654 1.539 0.227 96 H VAL 15 H VAL 15 -0.527 4.367 2.791 97 HA VAL 15 HA VAL 15 -2.908 3.005 3.411 98 HB VAL 15 HB VAL 15 -1.324 3.910 5.093 99 1HG1 VAL 15 1HG1 VAL 15 -2.553 6.563 4.388 100 2HG1 VAL 15 2HG1 VAL 15 -1.453 6.257 5.731 101 3HG1 VAL 15 3HG1 VAL 15 -0.891 6.065 4.071 102 1HG2 VAL 15 1HG2 VAL 15 -3.005 4.644 6.721 103 2HG2 VAL 15 2HG2 VAL 15 -4.171 4.846 5.413 104 3HG2 VAL 15 3HG2 VAL 15 -3.548 3.242 5.796 105 H LYS 16 H LYS 16 -2.404 5.761 1.491 106 HA LYS 16 HA LYS 16 -5.187 6.635 1.804 107 1HB LYS 16 1HB LYS 16 -3.297 8.300 1.986 108 2HB LYS 16 2HB LYS 16 -2.960 8.007 0.290 109 1HG LYS 16 1HG LYS 16 -5.669 8.923 1.189 110 2HG LYS 16 2HG LYS 16 -4.350 10.063 0.940 111 1HD LYS 16 1HD LYS 16 -5.382 8.135 -1.138 112 2HD LYS 16 2HD LYS 16 -5.833 9.837 -1.029 113 1HE LYS 16 1HE LYS 16 -3.051 8.761 -1.489 114 2HE LYS 16 2HE LYS 16 -4.095 9.482 -2.711 115 1HZ LYS 16 1HZ LYS 16 -2.840 10.818 -0.383 116 2HZ LYS 16 2HZ LYS 16 -4.081 11.532 -1.280 117 3HZ LYS 16 3HZ LYS 16 -2.607 11.154 -2.029 118 H ILE 17 H ILE 17 -2.801 5.765 -0.691 119 HA ILE 17 HA ILE 17 -4.743 6.068 -2.777 120 HB ILE 17 HB ILE 17 -2.272 6.529 -2.980 121 1HG1 ILE 17 1HG1 ILE 17 -2.282 6.060 -5.318 122 2HG1 ILE 17 2HG1 ILE 17 -3.359 4.684 -5.099 123 1HG2 ILE 17 1HG2 ILE 17 -0.833 4.671 -3.662 124 2HG2 ILE 17 2HG2 ILE 17 -1.418 4.469 -2.009 125 3HG2 ILE 17 3HG2 ILE 17 -2.146 3.541 -3.322 126 1HD1 ILE 17 1HD1 ILE 17 -4.520 6.598 -6.059 127 2HD1 ILE 17 2HD1 ILE 17 -5.169 6.171 -4.470 128 3HD1 ILE 17 3HD1 ILE 17 -4.097 7.566 -4.646 129 H CYS 18 H CYS 18 -3.645 3.463 -0.830 130 HA CYS 18 HA CYS 18 -4.378 1.325 -2.540 131 1HB CYS 18 1HB CYS 18 -2.929 1.149 -0.514 132 2HB CYS 18 2HB CYS 18 -4.362 1.332 0.483 133 H ILE 19 H ILE 19 -6.201 3.573 -0.727 134 HA ILE 19 HA ILE 19 -8.588 2.004 -0.570 135 HB ILE 19 HB ILE 19 -8.279 4.999 -0.321 136 1HG1 ILE 19 1HG1 ILE 19 -8.295 2.858 1.819 137 2HG1 ILE 19 2HG1 ILE 19 -6.888 3.780 1.301 138 1HG2 ILE 19 1HG2 ILE 19 -10.495 3.162 0.583 139 2HG2 ILE 19 2HG2 ILE 19 -10.402 4.896 0.901 140 3HG2 ILE 19 3HG2 ILE 19 -10.576 4.310 -0.755 141 1HD1 ILE 19 1HD1 ILE 19 -7.970 5.836 2.079 142 2HD1 ILE 19 2HD1 ILE 19 -9.339 4.881 2.652 143 3HD1 ILE 19 3HD1 ILE 19 -7.742 4.661 3.373 144 H ASP 20 H ASP 20 -7.088 4.077 -2.897 145 HA ASP 20 HA ASP 20 -9.515 4.371 -4.475 146 1HB ASP 20 1HB ASP 20 -8.032 6.278 -4.455 147 2HB ASP 20 2HB ASP 20 -6.667 5.279 -4.943 148 H ARG 21 H ARG 21 -6.379 2.761 -4.668 149 HA ARG 21 HA ARG 21 -6.833 1.564 -7.200 150 1HB ARG 21 1HB ARG 21 -4.954 0.682 -5.006 151 2HB ARG 21 2HB ARG 21 -4.874 0.199 -6.694 152 1HG ARG 21 1HG ARG 21 -4.396 2.502 -7.338 153 2HG ARG 21 2HG ARG 21 -4.499 2.992 -5.637 154 1HD ARG 21 1HD ARG 21 -2.619 1.668 -5.060 155 2HD ARG 21 2HD ARG 21 -2.573 0.914 -6.655 156 HE ARG 21 HE ARG 21 -2.242 3.797 -6.629 157 1HH1 ARG 21 2HH1 ARG 21 -0.676 0.656 -6.689 158 2HH1 ARG 21 1HH1 ARG 21 0.855 1.301 -7.196 159 1HH2 ARG 21 2HH2 ARG 21 -0.257 4.634 -7.312 160 2HH2 ARG 21 1HH2 ARG 21 1.104 3.577 -7.556 161 H TYR 22 H TYR 22 -7.068 0.325 -3.882 162 HA TYR 22 HA TYR 22 -8.416 -2.052 -4.951 163 1HB TYR 22 1HB TYR 22 -6.904 -1.711 -2.350 164 2HB TYR 22 2HB TYR 22 -7.684 -3.194 -2.897 165 HD1 TYR 22 1HD TYR 22 -6.732 -4.510 -4.686 166 HD2 TYR 22 2HD TYR 22 -4.844 -0.937 -3.376 167 HE1 TYR 22 1HE TYR 22 -4.697 -5.138 -5.916 168 HE2 TYR 22 2HE TYR 22 -2.806 -1.550 -4.598 169 HH TYR 22 HH TYR 22 -2.736 -4.176 -6.849 170 H ASN 23 H ASN 23 -8.554 -1.716 -1.624 171 HA ASN 23 HA ASN 23 -10.955 -0.149 -1.439 172 1HB ASN 23 1HB ASN 23 -12.370 -2.027 -0.639 173 2HB ASN 23 2HB ASN 23 -11.938 -2.184 -2.339 174 1HD2 ASN 23 1HD2 ASN 23 -10.519 -3.821 -2.953 175 2HD2 ASN 23 2HD2 ASN 23 -10.141 -5.154 -1.917 176 H THR 24 H THR 24 -8.184 -0.703 -0.203 177 HA THR 24 HA THR 24 -9.094 -1.417 2.491 178 HB THR 24 HB THR 24 -6.822 -2.504 2.751 179 HG1 THR 24 1HG THR 24 -5.873 -1.543 0.850 180 1HG2 THR 24 1HG2 THR 24 -8.841 -3.557 0.769 181 2HG2 THR 24 2HG2 THR 24 -8.803 -3.835 2.513 182 3HG2 THR 24 3HG2 THR 24 -7.553 -4.534 1.483 183 H ARG 25 H ARG 25 -8.608 -0.151 4.076 184 HA ARG 25 HA ARG 25 -7.036 2.234 3.604 185 1HB ARG 25 1HB ARG 25 -7.735 2.696 6.048 186 2HB ARG 25 2HB ARG 25 -8.977 2.716 4.808 187 1HG ARG 25 1HG ARG 25 -9.749 1.590 6.825 188 2HG ARG 25 2HG ARG 25 -9.693 0.478 5.460 189 1HD ARG 25 1HD ARG 25 -7.482 -0.328 6.286 190 2HD ARG 25 2HD ARG 25 -7.699 0.693 7.714 191 HE ARG 25 HE ARG 25 -9.959 -0.834 7.663 192 1HH1 ARG 25 2HH1 ARG 25 -6.534 -1.535 7.616 193 2HH1 ARG 25 1HH1 ARG 25 -6.701 -3.085 8.379 194 1HH2 ARG 25 2HH2 ARG 25 -10.199 -2.856 8.682 195 2HH2 ARG 25 1HH2 ARG 25 -8.797 -3.833 9.003 196 H GLY 26 H GLY 26 -6.384 -0.862 4.640 197 1HA GLY 26 1HA GLY 26 -4.385 -0.057 6.620 198 2HA GLY 26 2HA GLY 26 -4.946 -1.698 6.324 199 H ALA 27 H ALA 27 -2.614 0.685 5.547 200 HA ALA 27 HA ALA 27 -1.237 -1.293 3.899 201 1HB ALA 27 1HB ALA 27 -1.617 1.573 3.049 202 2HB ALA 27 2HB ALA 27 -0.657 0.355 2.209 203 3HB ALA 27 3HB ALA 27 -2.407 0.171 2.329 204 H LYS 28 H LYS 28 0.941 -1.251 4.034 205 HA LYS 28 HA LYS 28 2.265 0.883 5.510 206 1HB LYS 28 1HB LYS 28 1.470 -0.880 7.145 207 2HB LYS 28 2HB LYS 28 2.529 -2.017 6.330 208 1HG LYS 28 1HG LYS 28 3.794 0.473 7.249 209 2HG LYS 28 2HG LYS 28 3.216 -0.615 8.512 210 1HD LYS 28 1HD LYS 28 4.513 -2.441 7.533 211 2HD LYS 28 2HD LYS 28 5.079 -1.362 6.255 212 1HE LYS 28 1HE LYS 28 6.752 -1.633 8.029 213 2HE LYS 28 2HE LYS 28 6.199 0.035 7.899 214 1HZ LYS 28 1HZ LYS 28 6.365 -0.674 10.202 215 2HZ LYS 28 2HZ LYS 28 5.273 -1.939 9.923 216 3HZ LYS 28 3HZ LYS 28 4.752 -0.333 9.803 217 H CYS 29 H CYS 29 4.424 1.096 4.926 218 HA CYS 29 HA CYS 29 5.139 -0.304 2.489 219 1HB CYS 29 1HB CYS 29 5.446 2.119 2.590 220 2HB CYS 29 2HB CYS 29 6.512 1.949 3.977 221 H ILE 30 H ILE 30 6.212 -2.168 2.572 222 HA ILE 30 HA ILE 30 7.495 -2.849 5.112 223 HB ILE 30 HB ILE 30 5.762 -4.375 4.542 224 1HG1 ILE 30 1HG1 ILE 30 7.012 -6.530 4.322 225 2HG1 ILE 30 2HG1 ILE 30 8.471 -5.598 4.003 226 1HG2 ILE 30 1HG2 ILE 30 5.652 -5.653 2.492 227 2HG2 ILE 30 2HG2 ILE 30 5.642 -3.925 2.139 228 3HG2 ILE 30 3HG2 ILE 30 7.113 -4.866 1.894 229 1HD1 ILE 30 1HD1 ILE 30 6.830 -5.471 6.521 230 2HD1 ILE 30 2HD1 ILE 30 8.357 -6.333 6.324 231 3HD1 ILE 30 3HD1 ILE 30 8.312 -4.573 6.201 232 H ASN 31 H ASN 31 8.113 -3.575 1.658 233 HA ASN 31 HA ASN 31 10.959 -3.880 2.345 234 1HB ASN 31 1HB ASN 31 11.128 -5.192 0.265 235 2HB ASN 31 2HB ASN 31 9.922 -5.869 1.355 236 1HD2 ASN 31 1HD2 ASN 31 10.243 -6.094 -1.569 237 2HD2 ASN 31 2HD2 ASN 31 8.720 -5.588 -2.233 238 H GLY 32 H GLY 32 9.305 -1.433 1.665 239 1HA GLY 32 1HA GLY 32 10.261 0.562 0.756 240 2HA GLY 32 2HA GLY 32 11.086 -0.431 -0.442 241 H ARG 33 H ARG 33 8.196 -1.828 -0.363 242 HA ARG 33 HA ARG 33 7.046 -0.009 -2.376 243 1HB ARG 33 1HB ARG 33 5.962 -2.761 -2.037 244 2HB ARG 33 2HB ARG 33 6.106 -1.773 -3.485 245 1HG ARG 33 1HG ARG 33 8.492 -3.002 -2.163 246 2HG ARG 33 2HG ARG 33 7.513 -3.871 -3.343 247 1HD ARG 33 1HD ARG 33 7.866 -1.838 -4.867 248 2HD ARG 33 2HD ARG 33 9.154 -1.389 -3.738 249 HE ARG 33 HE ARG 33 9.105 -3.782 -5.443 250 1HH1 ARG 33 2HH1 ARG 33 10.826 -1.628 -3.296 251 2HH1 ARG 33 1HH1 ARG 33 12.367 -2.373 -3.570 252 1HH2 ARG 33 2HH2 ARG 33 11.136 -4.772 -5.811 253 2HH2 ARG 33 1HH2 ARG 33 12.542 -4.159 -4.998 254 H CYS 34 H CYS 34 4.585 -0.174 -2.441 255 HA CYS 34 HA CYS 34 3.564 0.168 0.256 256 1HB CYS 34 1HB CYS 34 2.521 0.828 -2.486 257 2HB CYS 34 2HB CYS 34 1.458 0.880 -1.080 258 H THR 35 H THR 35 2.881 -1.560 1.282 259 HA THR 35 HA THR 35 1.429 -3.641 -0.212 260 HB THR 35 HB THR 35 3.140 -3.937 2.271 261 HG1 THR 35 1HG THR 35 3.610 -4.931 -0.363 262 1HG2 THR 35 1HG2 THR 35 1.311 -5.552 2.252 263 2HG2 THR 35 2HG2 THR 35 2.850 -6.355 1.933 264 3HG2 THR 35 3HG2 THR 35 1.732 -6.031 0.607 265 H CYS 36 H CYS 36 -0.585 -4.149 0.490 266 HA CYS 36 HA CYS 36 -1.564 -2.657 2.829 267 1HB CYS 36 1HB CYS 36 -3.219 -3.792 0.570 268 2HB CYS 36 2HB CYS 36 -3.747 -2.661 1.823 269 H TYR 37 H TYR 37 -2.518 -3.646 4.469 270 HA TYR 37 HA TYR 37 -2.682 -6.589 4.400 271 1HB TYR 37 1HB TYR 37 -1.974 -4.839 6.769 272 2HB TYR 37 2HB TYR 37 -2.052 -6.595 6.764 273 HD1 TYR 37 1HD TYR 37 -0.252 -7.914 5.872 274 HD2 TYR 37 2HD TYR 37 -0.116 -3.664 5.642 275 HE1 TYR 37 1HE TYR 37 2.133 -8.025 5.289 276 HE2 TYR 37 2HE TYR 37 2.271 -3.768 5.061 277 HH TYR 37 HH TYR 37 4.158 -5.309 5.337 278 HA PRO 38 HA PRO 38 -6.892 -5.046 5.370 279 1HB PRO 38 1HB PRO 38 -7.749 -7.332 3.761 280 2HB PRO 38 2HB PRO 38 -8.039 -5.608 3.498 281 1HG PRO 38 1HG PRO 38 -6.410 -7.015 1.885 282 2HG PRO 38 2HG PRO 38 -6.079 -5.315 2.303 283 1HD PRO 38 1HD PRO 38 -4.922 -7.812 3.530 284 2HD PRO 38 2HD PRO 38 -4.080 -6.362 2.930 Start of MODEL 6 1 HN PCA 1 H PCA 1 -1.094 -11.402 -0.116 2 HA PCA 1 HA PCA 1 -2.261 -9.486 1.207 3 1HB PCA 1 1HB PCA 1 -0.786 -8.592 2.682 4 2HB PCA 1 2HB PCA 1 0.226 -8.016 1.347 5 1HG PCA 1 1HG PCA 1 0.651 -10.231 3.128 6 2HG PCA 1 2HG PCA 1 1.732 -9.572 1.880 7 H ILE 2 H ILE 2 -2.185 -7.097 0.440 8 HA ILE 2 HA ILE 2 -2.038 -7.092 -2.449 9 HB ILE 2 HB ILE 2 -2.815 -4.899 -0.514 10 1HG1 ILE 2 1HG1 ILE 2 -4.368 -6.799 -0.514 11 2HG1 ILE 2 2HG1 ILE 2 -5.110 -5.369 -1.222 12 1HG2 ILE 2 1HG2 ILE 2 -2.014 -3.887 -2.540 13 2HG2 ILE 2 2HG2 ILE 2 -3.001 -4.972 -3.522 14 3HG2 ILE 2 3HG2 ILE 2 -3.772 -3.762 -2.495 15 1HD1 ILE 2 1HD1 ILE 2 -3.960 -7.686 -2.757 16 2HD1 ILE 2 2HD1 ILE 2 -5.671 -7.389 -2.450 17 3HD1 ILE 2 3HD1 ILE 2 -4.748 -6.266 -3.447 18 H ASP 3 H ASP 3 0.204 -7.288 -2.818 19 HA ASP 3 HA ASP 3 1.852 -5.052 -1.882 20 1HB ASP 3 1HB ASP 3 2.695 -7.395 -1.578 21 2HB ASP 3 2HB ASP 3 2.760 -7.546 -3.331 22 H THR 4 H THR 4 1.802 -3.371 -3.143 23 HA THR 4 HA THR 4 1.010 -3.512 -5.884 24 HB THR 4 HB THR 4 1.447 -1.062 -5.889 25 HG1 THR 4 1HG THR 4 2.157 -1.458 -3.150 26 1HG2 THR 4 1HG2 THR 4 -0.295 -0.472 -4.251 27 2HG2 THR 4 2HG2 THR 4 -0.148 -2.074 -3.526 28 3HG2 THR 4 3HG2 THR 4 -0.736 -1.905 -5.181 29 H ASN 5 H ASN 5 3.944 -3.923 -4.274 30 HA ASN 5 HA ASN 5 6.118 -4.069 -4.911 31 1HB ASN 5 1HB ASN 5 4.935 -4.266 -7.686 32 2HB ASN 5 2HB ASN 5 6.603 -4.638 -7.281 33 1HD2 ASN 5 1HD2 ASN 5 5.933 -5.959 -4.776 34 2HD2 ASN 5 2HD2 ASN 5 5.219 -7.475 -5.208 35 H VAL 6 H VAL 6 5.201 -1.589 -4.430 36 HA VAL 6 HA VAL 6 6.366 0.108 -6.534 37 HB VAL 6 HB VAL 6 4.122 0.730 -4.613 38 1HG1 VAL 6 1HG1 VAL 6 4.019 2.941 -5.677 39 2HG1 VAL 6 2HG1 VAL 6 5.573 2.687 -4.882 40 3HG1 VAL 6 3HG1 VAL 6 5.446 2.548 -6.636 41 1HG2 VAL 6 1HG2 VAL 6 3.433 -0.596 -6.538 42 2HG2 VAL 6 2HG2 VAL 6 2.797 1.045 -6.657 43 3HG2 VAL 6 3HG2 VAL 6 4.190 0.569 -7.626 44 H LYS 7 H LYS 7 8.359 0.456 -5.825 45 HA LYS 7 HA LYS 7 9.289 0.721 -3.254 46 1HB LYS 7 1HB LYS 7 10.250 2.179 -5.718 47 2HB LYS 7 2HB LYS 7 11.138 2.091 -4.204 48 1HG LYS 7 1HG LYS 7 11.209 -0.373 -4.445 49 2HG LYS 7 2HG LYS 7 10.437 -0.203 -6.024 50 1HD LYS 7 1HD LYS 7 12.834 -0.413 -6.299 51 2HD LYS 7 2HD LYS 7 12.320 1.212 -6.759 52 1HE LYS 7 1HE LYS 7 12.945 1.955 -4.442 53 2HE LYS 7 2HE LYS 7 13.658 0.360 -4.198 54 1HZ LYS 7 1HZ LYS 7 14.453 2.321 -6.283 55 2HZ LYS 7 2HZ LYS 7 15.137 0.784 -6.071 56 3HZ LYS 7 3HZ LYS 7 15.320 1.968 -4.871 57 H CYS 8 H CYS 8 8.907 2.094 -1.685 58 HA CYS 8 HA CYS 8 8.124 4.851 -2.293 59 1HB CYS 8 1HB CYS 8 6.330 4.604 -0.515 60 2HB CYS 8 2HB CYS 8 6.018 3.757 -2.029 61 H SER 9 H SER 9 8.635 6.334 -0.681 62 HA SER 9 HA SER 9 10.439 5.384 1.397 63 1HB SER 9 1HB SER 9 10.748 7.907 1.739 64 2HB SER 9 2HB SER 9 11.309 7.248 0.201 65 HG SER 9 HG SER 9 10.109 9.077 -0.233 66 H GLY 10 H GLY 10 7.584 7.472 1.063 67 1HA GLY 10 1HA GLY 10 6.955 7.035 3.898 68 2HA GLY 10 2HA GLY 10 6.259 8.284 2.872 69 H SER 11 H SER 11 5.485 5.607 4.468 70 HA SER 11 HA SER 11 4.173 3.924 2.647 71 1HB SER 11 1HB SER 11 3.507 4.431 5.562 72 2HB SER 11 2HB SER 11 3.022 3.022 4.619 73 HG SER 11 HG SER 11 5.087 3.083 6.049 74 H SER 12 H SER 12 3.317 7.007 3.873 75 HA SER 12 HA SER 12 0.545 6.676 4.164 76 1HB SER 12 1HB SER 12 1.825 8.408 5.334 77 2HB SER 12 2HB SER 12 2.131 9.222 3.800 78 HG SER 12 HG SER 12 -0.349 8.849 5.126 79 H LYS 13 H LYS 13 2.467 7.545 1.366 80 HA LYS 13 HA LYS 13 0.350 8.808 -0.040 81 1HB LYS 13 1HB LYS 13 2.937 7.619 -1.007 82 2HB LYS 13 2HB LYS 13 1.788 8.427 -2.069 83 1HG LYS 13 1HG LYS 13 2.001 10.435 -0.545 84 2HG LYS 13 2HG LYS 13 3.367 9.604 0.202 85 1HD LYS 13 1HD LYS 13 3.124 10.305 -2.722 86 2HD LYS 13 2HD LYS 13 4.073 11.199 -1.533 87 1HE LYS 13 1HE LYS 13 5.447 9.208 -1.145 88 2HE LYS 13 2HE LYS 13 4.496 8.324 -2.340 89 1HZ LYS 13 1HZ LYS 13 6.553 9.155 -3.300 90 2HZ LYS 13 2HZ LYS 13 6.132 10.748 -2.879 91 3HZ LYS 13 3HZ LYS 13 5.212 9.905 -4.028 92 H CYS 14 H CYS 14 0.975 5.540 0.604 93 HA CYS 14 HA CYS 14 -0.597 4.714 -1.719 94 1HB CYS 14 1HB CYS 14 1.214 3.200 0.134 95 2HB CYS 14 2HB CYS 14 0.135 2.396 -1.005 96 H VAL 15 H VAL 15 -0.563 4.509 1.806 97 HA VAL 15 HA VAL 15 -2.709 2.745 2.084 98 HB VAL 15 HB VAL 15 -1.471 3.094 4.019 99 1HG1 VAL 15 1HG1 VAL 15 -0.495 5.214 3.281 100 2HG1 VAL 15 2HG1 VAL 15 -1.961 6.047 3.799 101 3HG1 VAL 15 3HG1 VAL 15 -0.952 5.224 4.990 102 1HG2 VAL 15 1HG2 VAL 15 -3.854 2.948 4.522 103 2HG2 VAL 15 2HG2 VAL 15 -3.018 3.962 5.698 104 3HG2 VAL 15 3HG2 VAL 15 -3.990 4.704 4.428 105 H LYS 16 H LYS 16 -2.685 6.227 1.559 106 HA LYS 16 HA LYS 16 -5.477 6.558 2.033 107 1HB LYS 16 1HB LYS 16 -5.181 8.782 1.004 108 2HB LYS 16 2HB LYS 16 -3.987 8.457 2.251 109 1HG LYS 16 1HG LYS 16 -2.281 8.077 0.636 110 2HG LYS 16 2HG LYS 16 -3.449 8.102 -0.688 111 1HD LYS 16 1HD LYS 16 -2.722 10.426 1.101 112 2HD LYS 16 2HD LYS 16 -2.219 10.205 -0.578 113 1HE LYS 16 1HE LYS 16 -4.625 10.213 -1.228 114 2HE LYS 16 2HE LYS 16 -5.029 10.598 0.446 115 1HZ LYS 16 1HZ LYS 16 -3.452 12.259 -1.443 116 2HZ LYS 16 2HZ LYS 16 -3.626 12.608 0.206 117 3HZ LYS 16 3HZ LYS 16 -4.987 12.605 -0.806 118 H ILE 17 H ILE 17 -3.530 5.966 -0.868 119 HA ILE 17 HA ILE 17 -5.843 6.357 -2.571 120 HB ILE 17 HB ILE 17 -3.673 7.188 -3.314 121 1HG1 ILE 17 1HG1 ILE 17 -3.856 6.481 -5.604 122 2HG1 ILE 17 2HG1 ILE 17 -4.609 4.962 -5.123 123 1HG2 ILE 17 1HG2 ILE 17 -2.859 4.299 -3.440 124 2HG2 ILE 17 2HG2 ILE 17 -1.943 5.644 -4.127 125 3HG2 ILE 17 3HG2 ILE 17 -2.187 5.544 -2.383 126 1HD1 ILE 17 1HD1 ILE 17 -6.578 6.158 -4.357 127 2HD1 ILE 17 2HD1 ILE 17 -5.820 7.696 -4.781 128 3HD1 ILE 17 3HD1 ILE 17 -6.230 6.536 -6.047 129 H CYS 18 H CYS 18 -3.919 3.718 -1.361 130 HA CYS 18 HA CYS 18 -4.840 1.640 -2.973 131 1HB CYS 18 1HB CYS 18 -3.018 1.370 -1.379 132 2HB CYS 18 2HB CYS 18 -4.117 1.582 -0.032 133 H ILE 19 H ILE 19 -6.390 3.347 -0.391 134 HA ILE 19 HA ILE 19 -8.569 1.686 0.137 135 HB ILE 19 HB ILE 19 -8.477 4.707 0.132 136 1HG1 ILE 19 1HG1 ILE 19 -8.138 2.743 2.405 137 2HG1 ILE 19 2HG1 ILE 19 -6.826 3.620 1.624 138 1HG2 ILE 19 1HG2 ILE 19 -10.777 3.876 0.063 139 2HG2 ILE 19 2HG2 ILE 19 -10.448 2.847 1.460 140 3HG2 ILE 19 3HG2 ILE 19 -10.405 4.604 1.629 141 1HD1 ILE 19 1HD1 ILE 19 -9.105 4.850 3.159 142 2HD1 ILE 19 2HD1 ILE 19 -7.449 4.647 3.735 143 3HD1 ILE 19 3HD1 ILE 19 -7.788 5.729 2.382 144 H ASP 20 H ASP 20 -8.066 4.053 -2.422 145 HA ASP 20 HA ASP 20 -10.787 3.774 -3.385 146 1HB ASP 20 1HB ASP 20 -9.752 5.978 -3.441 147 2HB ASP 20 2HB ASP 20 -8.438 5.366 -4.440 148 H ARG 21 H ARG 21 -7.675 2.472 -3.987 149 HA ARG 21 HA ARG 21 -8.200 1.530 -6.643 150 1HB ARG 21 1HB ARG 21 -6.084 0.732 -4.640 151 2HB ARG 21 2HB ARG 21 -6.128 0.205 -6.313 152 1HG ARG 21 1HG ARG 21 -5.856 2.508 -7.059 153 2HG ARG 21 2HG ARG 21 -5.827 3.041 -5.371 154 1HD ARG 21 1HD ARG 21 -3.842 1.748 -4.951 155 2HD ARG 21 2HD ARG 21 -3.884 1.084 -6.583 156 HE ARG 21 HE ARG 21 -3.780 3.833 -6.869 157 1HH1 ARG 21 2HH1 ARG 21 -1.787 1.265 -5.580 158 2HH1 ARG 21 1HH1 ARG 21 -0.297 2.150 -5.746 159 1HH2 ARG 21 2HH2 ARG 21 -1.817 4.999 -7.137 160 2HH2 ARG 21 1HH2 ARG 21 -0.314 4.259 -6.658 161 H TYR 22 H TYR 22 -7.932 -0.063 -3.468 162 HA TYR 22 HA TYR 22 -9.225 -2.401 -4.682 163 1HB TYR 22 1HB TYR 22 -7.444 -2.281 -2.236 164 2HB TYR 22 2HB TYR 22 -8.134 -3.739 -2.945 165 HD1 TYR 22 1HD TYR 22 -5.502 -1.240 -3.191 166 HD2 TYR 22 2HD TYR 22 -7.354 -4.525 -5.163 167 HE1 TYR 22 1HE TYR 22 -3.585 -1.397 -4.713 168 HE2 TYR 22 2HE TYR 22 -5.431 -4.699 -6.682 169 HH TYR 22 HH TYR 22 -3.651 -3.252 -7.557 170 H ASN 23 H ASN 23 -8.993 -2.404 -1.291 171 HA ASN 23 HA ASN 23 -11.542 -1.184 -0.784 172 1HB ASN 23 1HB ASN 23 -12.770 -3.176 -0.191 173 2HB ASN 23 2HB ASN 23 -12.169 -3.362 -1.836 174 1HD2 ASN 23 1HD2 ASN 23 -12.028 -4.509 1.414 175 2HD2 ASN 23 2HD2 ASN 23 -11.043 -5.897 1.103 176 H THR 24 H THR 24 -8.678 -1.333 0.174 177 HA THR 24 HA THR 24 -9.207 -2.114 2.958 178 HB THR 24 HB THR 24 -7.727 -3.763 2.098 179 HG1 THR 24 1HG THR 24 -6.369 -3.604 3.721 180 1HG2 THR 24 1HG2 THR 24 -7.020 -2.561 0.087 181 2HG2 THR 24 2HG2 THR 24 -5.648 -3.253 0.949 182 3HG2 THR 24 3HG2 THR 24 -5.986 -1.526 1.072 183 H ARG 25 H ARG 25 -7.695 -1.066 4.510 184 HA ARG 25 HA ARG 25 -7.248 1.749 3.759 185 1HB ARG 25 1HB ARG 25 -8.182 2.460 5.879 186 2HB ARG 25 2HB ARG 25 -9.365 1.453 5.054 187 1HG ARG 25 1HG ARG 25 -7.509 0.425 7.194 188 2HG ARG 25 2HG ARG 25 -9.133 1.032 7.516 189 1HD ARG 25 1HD ARG 25 -10.138 -0.795 6.620 190 2HD ARG 25 2HD ARG 25 -8.881 -1.026 5.403 191 HE ARG 25 HE ARG 25 -7.939 -1.604 8.042 192 1HH1 ARG 25 2HH1 ARG 25 -9.912 -2.908 5.449 193 2HH1 ARG 25 1HH1 ARG 25 -9.488 -4.562 5.790 194 1HH2 ARG 25 2HH2 ARG 25 -7.375 -3.763 8.478 195 2HH2 ARG 25 1HH2 ARG 25 -8.005 -5.048 7.484 196 H GLY 26 H GLY 26 -5.743 -0.972 4.600 197 1HA GLY 26 1HA GLY 26 -3.938 0.365 6.521 198 2HA GLY 26 2HA GLY 26 -4.333 -1.344 6.599 199 H ALA 27 H ALA 27 -2.913 1.053 4.387 200 HA ALA 27 HA ALA 27 -1.199 -1.077 3.330 201 1HB ALA 27 1HB ALA 27 -0.621 0.446 1.538 202 2HB ALA 27 2HB ALA 27 -2.376 0.375 1.698 203 3HB ALA 27 3HB ALA 27 -1.486 1.760 2.331 204 H LYS 28 H LYS 28 1.004 -0.963 3.401 205 HA LYS 28 HA LYS 28 2.276 1.213 4.861 206 1HB LYS 28 1HB LYS 28 1.631 -0.307 6.647 207 2HB LYS 28 2HB LYS 28 2.322 -1.670 5.777 208 1HG LYS 28 1HG LYS 28 4.551 -0.667 6.008 209 2HG LYS 28 2HG LYS 28 3.840 0.660 6.929 210 1HD LYS 28 1HD LYS 28 3.100 -0.894 8.638 211 2HD LYS 28 2HD LYS 28 3.723 -2.253 7.698 212 1HE LYS 28 1HE LYS 28 5.985 -1.387 7.914 213 2HE LYS 28 2HE LYS 28 5.380 0.017 8.794 214 1HZ LYS 28 1HZ LYS 28 4.625 -1.433 10.554 215 2HZ LYS 28 2HZ LYS 28 6.282 -1.674 10.281 216 3HZ LYS 28 3HZ LYS 28 5.152 -2.804 9.705 217 H CYS 29 H CYS 29 4.376 1.504 4.267 218 HA CYS 29 HA CYS 29 5.392 -0.035 2.061 219 1HB CYS 29 1HB CYS 29 6.460 2.290 3.665 220 2HB CYS 29 2HB CYS 29 7.382 1.529 2.385 221 H ILE 30 H ILE 30 6.027 -2.047 2.559 222 HA ILE 30 HA ILE 30 7.213 -2.516 5.195 223 HB ILE 30 HB ILE 30 5.272 -3.847 4.758 224 1HG1 ILE 30 1HG1 ILE 30 6.215 -6.150 4.942 225 2HG1 ILE 30 2HG1 ILE 30 7.800 -5.486 4.557 226 1HG2 ILE 30 1HG2 ILE 30 4.961 -5.303 2.912 227 2HG2 ILE 30 2HG2 ILE 30 5.450 -3.742 2.252 228 3HG2 ILE 30 3HG2 ILE 30 6.614 -5.066 2.349 229 1HD1 ILE 30 1HD1 ILE 30 6.121 -4.774 6.950 230 2HD1 ILE 30 2HD1 ILE 30 7.541 -5.817 6.944 231 3HD1 ILE 30 3HD1 ILE 30 7.707 -4.103 6.568 232 H ASN 31 H ASN 31 7.712 -3.926 1.953 233 HA ASN 31 HA ASN 31 10.515 -4.391 2.637 234 1HB ASN 31 1HB ASN 31 8.784 -5.404 0.362 235 2HB ASN 31 2HB ASN 31 10.497 -5.771 0.532 236 1HD2 ASN 31 1HD2 ASN 31 8.146 -7.544 0.533 237 2HD2 ASN 31 2HD2 ASN 31 8.237 -8.419 2.025 238 H GLY 32 H GLY 32 9.626 -1.768 2.227 239 1HA GLY 32 1HA GLY 32 10.431 0.107 1.129 240 2HA GLY 32 2HA GLY 32 11.231 -0.950 -0.029 241 H ARG 33 H ARG 33 8.084 -1.958 0.314 242 HA ARG 33 HA ARG 33 7.136 -0.256 -1.892 243 1HB ARG 33 1HB ARG 33 6.229 -3.095 -1.774 244 2HB ARG 33 2HB ARG 33 6.409 -2.023 -3.163 245 1HG ARG 33 1HG ARG 33 8.748 -3.150 -1.672 246 2HG ARG 33 2HG ARG 33 7.983 -3.972 -3.038 247 1HD ARG 33 1HD ARG 33 8.324 -1.922 -4.403 248 2HD ARG 33 2HD ARG 33 9.215 -1.222 -3.051 249 HE ARG 33 HE ARG 33 10.882 -2.974 -3.330 250 1HH1 ARG 33 2HH1 ARG 33 8.652 -2.470 -5.995 251 2HH1 ARG 33 1HH1 ARG 33 9.726 -3.147 -7.180 252 1HH2 ARG 33 2HH2 ARG 33 12.284 -3.833 -4.888 253 2HH2 ARG 33 1HH2 ARG 33 11.788 -3.918 -6.551 254 H CYS 34 H CYS 34 4.822 -0.111 -2.055 255 HA CYS 34 HA CYS 34 3.532 0.009 0.502 256 1HB CYS 34 1HB CYS 34 2.222 0.340 -2.194 257 2HB CYS 34 2HB CYS 34 1.692 1.003 -0.651 258 H THR 35 H THR 35 2.826 -1.794 1.444 259 HA THR 35 HA THR 35 1.328 -3.696 -0.229 260 HB THR 35 HB THR 35 2.759 -4.242 2.383 261 HG1 THR 35 1HG THR 35 3.476 -4.483 -0.317 262 1HG2 THR 35 1HG2 THR 35 0.794 -5.666 2.085 263 2HG2 THR 35 2HG2 THR 35 2.278 -6.599 1.893 264 3HG2 THR 35 3HG2 THR 35 1.351 -6.116 0.472 265 H CYS 36 H CYS 36 -0.759 -3.919 0.197 266 HA CYS 36 HA CYS 36 -1.878 -2.471 2.485 267 1HB CYS 36 1HB CYS 36 -3.294 -3.594 0.069 268 2HB CYS 36 2HB CYS 36 -3.970 -2.502 1.274 269 H TYR 37 H TYR 37 -2.733 -3.482 4.138 270 HA TYR 37 HA TYR 37 -3.113 -6.394 3.977 271 1HB TYR 37 1HB TYR 37 -2.610 -4.691 6.425 272 2HB TYR 37 2HB TYR 37 -2.707 -6.446 6.379 273 HD1 TYR 37 1HD TYR 37 -0.674 -3.533 5.307 274 HD2 TYR 37 2HD TYR 37 -0.819 -7.760 5.831 275 HE1 TYR 37 1HE TYR 37 1.761 -3.656 4.988 276 HE2 TYR 37 2HE TYR 37 1.612 -7.886 5.505 277 HH TYR 37 HH TYR 37 3.408 -6.617 4.497 278 HA PRO 38 HA PRO 38 -7.385 -4.901 4.634 279 1HB PRO 38 1HB PRO 38 -8.071 -7.259 3.035 280 2HB PRO 38 2HB PRO 38 -8.414 -5.556 2.712 281 1HG PRO 38 1HG PRO 38 -6.645 -6.914 1.217 282 2HG PRO 38 2HG PRO 38 -6.376 -5.205 1.645 283 1HD PRO 38 1HD PRO 38 -5.259 -7.664 2.981 284 2HD PRO 38 2HD PRO 38 -4.397 -6.219 2.397 Start of MODEL 7 1 HN PCA 1 H PCA 1 -3.436 -9.575 1.182 2 HA PCA 1 HA PCA 1 -1.513 -7.941 2.086 3 1HB PCA 1 1HB PCA 1 0.430 -9.112 2.371 4 2HB PCA 1 2HB PCA 1 0.242 -9.956 0.822 5 1HG PCA 1 1HG PCA 1 -0.564 -10.759 3.516 6 2HG PCA 1 2HG PCA 1 -0.320 -11.747 2.056 7 H ILE 2 H ILE 2 -2.264 -6.554 0.561 8 HA ILE 2 HA ILE 2 -2.075 -7.069 -2.260 9 HB ILE 2 HB ILE 2 -2.693 -4.570 -0.684 10 1HG1 ILE 2 1HG1 ILE 2 -4.426 -6.291 -0.596 11 2HG1 ILE 2 2HG1 ILE 2 -4.977 -4.893 -1.509 12 1HG2 ILE 2 1HG2 ILE 2 -2.653 -4.926 -3.669 13 2HG2 ILE 2 2HG2 ILE 2 -3.418 -3.570 -2.836 14 3HG2 ILE 2 3HG2 ILE 2 -1.676 -3.819 -2.699 15 1HD1 ILE 2 1HD1 ILE 2 -4.544 -6.100 -3.595 16 2HD1 ILE 2 2HD1 ILE 2 -4.013 -7.501 -2.663 17 3HD1 ILE 2 3HD1 ILE 2 -5.686 -6.953 -2.555 18 H ASP 3 H ASP 3 0.038 -7.381 -2.880 19 HA ASP 3 HA ASP 3 1.988 -5.340 -2.186 20 1HB ASP 3 1HB ASP 3 2.160 -7.986 -3.585 21 2HB ASP 3 2HB ASP 3 3.442 -6.798 -3.798 22 H THR 4 H THR 4 1.573 -3.520 -3.194 23 HA THR 4 HA THR 4 0.460 -3.354 -5.814 24 HB THR 4 HB THR 4 0.981 -0.893 -5.557 25 HG1 THR 4 1HG THR 4 1.630 -1.504 -2.864 26 1HG2 THR 4 1HG2 THR 4 -1.187 -1.799 -4.884 27 2HG2 THR 4 2HG2 THR 4 -0.674 -0.527 -3.776 28 3HG2 THR 4 3HG2 THR 4 -0.532 -2.220 -3.300 29 H ASN 5 H ASN 5 3.558 -3.927 -4.688 30 HA ASN 5 HA ASN 5 5.639 -3.950 -5.590 31 1HB ASN 5 1HB ASN 5 3.860 -4.782 -7.600 32 2HB ASN 5 2HB ASN 5 4.943 -3.641 -8.394 33 1HD2 ASN 5 1HD2 ASN 5 4.654 -6.567 -8.651 34 2HD2 ASN 5 2HD2 ASN 5 6.235 -7.212 -8.336 35 H VAL 6 H VAL 6 4.987 -1.620 -4.619 36 HA VAL 6 HA VAL 6 5.743 0.405 -6.607 37 HB VAL 6 HB VAL 6 3.832 0.666 -4.279 38 1HG1 VAL 6 1HG1 VAL 6 5.217 2.673 -4.423 39 2HG1 VAL 6 2HG1 VAL 6 4.859 2.809 -6.147 40 3HG1 VAL 6 3HG1 VAL 6 3.571 3.015 -4.961 41 1HG2 VAL 6 1HG2 VAL 6 3.441 0.991 -7.250 42 2HG2 VAL 6 2HG2 VAL 6 2.847 -0.339 -6.255 43 3HG2 VAL 6 3HG2 VAL 6 2.215 1.291 -6.017 44 H LYS 7 H LYS 7 7.849 0.642 -6.173 45 HA LYS 7 HA LYS 7 9.150 0.636 -3.728 46 1HB LYS 7 1HB LYS 7 9.852 2.505 -5.994 47 2HB LYS 7 2HB LYS 7 10.941 1.775 -4.824 48 1HG LYS 7 1HG LYS 7 10.680 -0.382 -5.828 49 2HG LYS 7 2HG LYS 7 9.406 0.218 -6.892 50 1HD LYS 7 1HD LYS 7 12.298 1.092 -6.917 51 2HD LYS 7 2HD LYS 7 11.529 0.021 -8.089 52 1HE LYS 7 1HE LYS 7 10.730 2.886 -7.569 53 2HE LYS 7 2HE LYS 7 11.751 2.346 -8.901 54 1HZ LYS 7 1HZ LYS 7 9.346 2.679 -9.454 55 2HZ LYS 7 2HZ LYS 7 8.988 1.340 -8.479 56 3HZ LYS 7 3HZ LYS 7 9.965 1.153 -9.850 57 H CYS 8 H CYS 8 8.979 1.962 -1.999 58 HA CYS 8 HA CYS 8 7.897 4.665 -2.426 59 1HB CYS 8 1HB CYS 8 6.530 4.250 -0.321 60 2HB CYS 8 2HB CYS 8 6.001 3.409 -1.776 61 H SER 9 H SER 9 8.271 6.160 -0.732 62 HA SER 9 HA SER 9 10.279 5.338 1.265 63 1HB SER 9 1HB SER 9 9.894 8.092 0.063 64 2HB SER 9 2HB SER 9 11.128 7.630 1.238 65 HG SER 9 HG SER 9 11.407 5.923 -0.697 66 H GLY 10 H GLY 10 7.141 6.000 0.798 67 1HA GLY 10 1HA GLY 10 6.717 6.707 3.590 68 2HA GLY 10 2HA GLY 10 6.053 7.807 2.388 69 H SER 11 H SER 11 4.783 5.969 4.399 70 HA SER 11 HA SER 11 3.454 3.998 2.720 71 1HB SER 11 1HB SER 11 2.975 4.590 5.646 72 2HB SER 11 2HB SER 11 2.544 3.127 4.761 73 HG SER 11 HG SER 11 5.102 4.047 5.530 74 H SER 12 H SER 12 2.885 7.137 4.017 75 HA SER 12 HA SER 12 0.130 7.018 4.485 76 1HB SER 12 1HB SER 12 1.557 8.774 5.412 77 2HB SER 12 2HB SER 12 1.837 9.420 3.796 78 HG SER 12 HG SER 12 -0.089 10.316 3.797 79 H LYS 13 H LYS 13 1.920 8.014 1.581 80 HA LYS 13 HA LYS 13 -0.334 8.875 0.126 81 1HB LYS 13 1HB LYS 13 2.305 7.774 -0.850 82 2HB LYS 13 2HB LYS 13 1.107 8.552 -1.879 83 1HG LYS 13 1HG LYS 13 2.550 9.840 0.436 84 2HG LYS 13 2HG LYS 13 2.909 10.081 -1.274 85 1HD LYS 13 1HD LYS 13 0.268 10.729 0.029 86 2HD LYS 13 2HD LYS 13 1.547 11.906 -0.276 87 1HE LYS 13 1HE LYS 13 0.174 10.250 -2.392 88 2HE LYS 13 2HE LYS 13 -0.227 11.923 -2.003 89 1HZ LYS 13 1HZ LYS 13 2.418 10.977 -2.976 90 2HZ LYS 13 2HZ LYS 13 1.990 12.586 -2.645 91 3HZ LYS 13 3HZ LYS 13 1.244 11.754 -3.922 92 H CYS 14 H CYS 14 0.951 5.719 0.763 93 HA CYS 14 HA CYS 14 -0.532 4.475 -1.381 94 1HB CYS 14 1HB CYS 14 1.226 3.381 0.796 95 2HB CYS 14 2HB CYS 14 0.365 2.352 -0.348 96 H VAL 15 H VAL 15 -0.667 4.529 2.163 97 HA VAL 15 HA VAL 15 -2.673 2.596 2.430 98 HB VAL 15 HB VAL 15 -1.409 3.175 4.350 99 1HG1 VAL 15 1HG1 VAL 15 -1.378 5.366 5.342 100 2HG1 VAL 15 2HG1 VAL 15 -0.875 5.444 3.648 101 3HG1 VAL 15 3HG1 VAL 15 -2.498 5.963 4.115 102 1HG2 VAL 15 1HG2 VAL 15 -3.123 3.704 6.016 103 2HG2 VAL 15 2HG2 VAL 15 -4.214 4.216 4.731 104 3HG2 VAL 15 3HG2 VAL 15 -3.706 2.528 4.839 105 H LYS 16 H LYS 16 -2.901 6.062 1.783 106 HA LYS 16 HA LYS 16 -5.752 6.086 2.152 107 1HB LYS 16 1HB LYS 16 -5.698 8.373 1.450 108 2HB LYS 16 2HB LYS 16 -4.314 8.105 2.496 109 1HG LYS 16 1HG LYS 16 -2.812 8.115 0.666 110 2HG LYS 16 2HG LYS 16 -4.133 8.042 -0.501 111 1HD LYS 16 1HD LYS 16 -4.898 10.268 0.376 112 2HD LYS 16 2HD LYS 16 -3.406 10.338 1.312 113 1HE LYS 16 1HE LYS 16 -2.088 10.244 -0.718 114 2HE LYS 16 2HE LYS 16 -3.547 10.052 -1.688 115 1HZ LYS 16 1HZ LYS 16 -2.832 12.433 -0.061 116 2HZ LYS 16 2HZ LYS 16 -4.265 12.251 -0.950 117 3HZ LYS 16 3HZ LYS 16 -2.772 12.326 -1.755 118 H ILE 17 H ILE 17 -3.552 5.712 -0.576 119 HA ILE 17 HA ILE 17 -5.711 6.042 -2.478 120 HB ILE 17 HB ILE 17 -3.365 6.857 -2.894 121 1HG1 ILE 17 1HG1 ILE 17 -3.511 6.484 -5.255 122 2HG1 ILE 17 2HG1 ILE 17 -4.400 4.981 -5.018 123 1HG2 ILE 17 1HG2 ILE 17 -2.853 3.937 -3.394 124 2HG2 ILE 17 2HG2 ILE 17 -1.766 5.252 -3.845 125 3HG2 ILE 17 3HG2 ILE 17 -2.113 4.940 -2.143 126 1HD1 ILE 17 1HD1 ILE 17 -6.299 6.231 -4.157 127 2HD1 ILE 17 2HD1 ILE 17 -5.409 7.742 -4.376 128 3HD1 ILE 17 3HD1 ILE 17 -5.855 6.770 -5.779 129 H CYS 18 H CYS 18 -4.055 3.479 -0.897 130 HA CYS 18 HA CYS 18 -4.734 1.372 -2.640 131 1HB CYS 18 1HB CYS 18 -3.094 1.043 -0.884 132 2HB CYS 18 2HB CYS 18 -4.295 1.332 0.363 133 H ILE 19 H ILE 19 -6.623 3.263 -0.491 134 HA ILE 19 HA ILE 19 -8.826 1.459 -0.285 135 HB ILE 19 HB ILE 19 -8.805 4.457 0.093 136 1HG1 ILE 19 1HG1 ILE 19 -8.489 2.250 2.141 137 2HG1 ILE 19 2HG1 ILE 19 -7.191 3.287 1.560 138 1HG2 ILE 19 1HG2 ILE 19 -10.814 4.095 1.434 139 2HG2 ILE 19 2HG2 ILE 19 -11.047 3.548 -0.227 140 3HG2 ILE 19 3HG2 ILE 19 -10.762 2.372 1.057 141 1HD1 ILE 19 1HD1 ILE 19 -7.983 4.018 3.723 142 2HD1 ILE 19 2HD1 ILE 19 -8.340 5.232 2.494 143 3HD1 ILE 19 3HD1 ILE 19 -9.622 4.177 3.091 144 H ASP 20 H ASP 20 -7.809 3.929 -2.517 145 HA ASP 20 HA ASP 20 -10.346 3.978 -3.922 146 1HB ASP 20 1HB ASP 20 -9.178 6.064 -3.864 147 2HB ASP 20 2HB ASP 20 -7.681 5.312 -4.406 148 H ARG 21 H ARG 21 -7.060 2.807 -4.451 149 HA ARG 21 HA ARG 21 -7.538 1.757 -7.045 150 1HB ARG 21 1HB ARG 21 -5.410 1.100 -5.002 151 2HB ARG 21 2HB ARG 21 -5.407 0.507 -6.658 152 1HG ARG 21 1HG ARG 21 -5.198 2.744 -7.515 153 2HG ARG 21 2HG ARG 21 -5.370 3.413 -5.888 154 1HD ARG 21 1HD ARG 21 -3.303 2.381 -5.204 155 2HD ARG 21 2HD ARG 21 -3.131 1.595 -6.774 156 HE ARG 21 HE ARG 21 -3.354 4.389 -7.130 157 1HH1 ARG 21 2HH1 ARG 21 -1.078 1.937 -6.080 158 2HH1 ARG 21 1HH1 ARG 21 0.315 2.928 -6.380 159 1HH2 ARG 21 2HH2 ARG 21 -1.520 5.683 -7.536 160 2HH2 ARG 21 1HH2 ARG 21 0.064 5.044 -7.202 161 H TYR 22 H TYR 22 -7.706 0.372 -3.795 162 HA TYR 22 HA TYR 22 -8.968 -1.991 -5.006 163 1HB TYR 22 1HB TYR 22 -7.289 -1.946 -2.485 164 2HB TYR 22 2HB TYR 22 -8.045 -3.362 -3.213 165 HD1 TYR 22 1HD TYR 22 -7.189 -4.264 -5.344 166 HD2 TYR 22 2HD TYR 22 -5.252 -1.051 -3.346 167 HE1 TYR 22 1HE TYR 22 -5.183 -4.627 -6.717 168 HE2 TYR 22 2HE TYR 22 -3.240 -1.401 -4.710 169 HH TYR 22 HH TYR 22 -3.217 -3.422 -7.474 170 H ASN 23 H ASN 23 -8.843 -1.987 -1.639 171 HA ASN 23 HA ASN 23 -11.115 -0.314 -1.127 172 1HB ASN 23 1HB ASN 23 -12.096 -2.402 -2.174 173 2HB ASN 23 2HB ASN 23 -11.519 -3.284 -0.763 174 1HD2 ASN 23 1HD2 ASN 23 -13.767 -0.890 -1.934 175 2HD2 ASN 23 2HD2 ASN 23 -14.800 -0.900 -0.543 176 H THR 24 H THR 24 -8.288 -1.428 -0.150 177 HA THR 24 HA THR 24 -9.105 -2.044 2.588 178 HB THR 24 HB THR 24 -7.984 -3.927 1.927 179 HG1 THR 24 1HG THR 24 -6.162 -3.961 3.142 180 1HG2 THR 24 1HG2 THR 24 -7.295 -3.152 -0.269 181 2HG2 THR 24 2HG2 THR 24 -5.964 -3.978 0.545 182 3HG2 THR 24 3HG2 THR 24 -5.985 -2.215 0.457 183 H ARG 25 H ARG 25 -7.687 -1.343 4.308 184 HA ARG 25 HA ARG 25 -6.852 1.431 3.775 185 1HB ARG 25 1HB ARG 25 -7.685 1.692 6.249 186 2HB ARG 25 2HB ARG 25 -8.823 1.732 4.914 187 1HG ARG 25 1HG ARG 25 -9.573 0.387 6.874 188 2HG ARG 25 2HG ARG 25 -9.541 -0.502 5.354 189 1HD ARG 25 1HD ARG 25 -7.491 -1.607 5.974 190 2HD ARG 25 2HD ARG 25 -7.346 -0.608 7.425 191 HE ARG 25 HE ARG 25 -9.584 -1.744 8.035 192 1HH1 ARG 25 2HH1 ARG 25 -6.896 -3.268 6.361 193 2HH1 ARG 25 1HH1 ARG 25 -7.319 -4.872 6.881 194 1HH2 ARG 25 2HH2 ARG 25 -10.110 -3.851 8.742 195 2HH2 ARG 25 1HH2 ARG 25 -9.139 -5.201 8.229 196 H GLY 26 H GLY 26 -5.248 -1.186 4.225 197 1HA GLY 26 1HA GLY 26 -3.716 -0.198 6.556 198 2HA GLY 26 2HA GLY 26 -4.073 -1.902 6.343 199 H ALA 27 H ALA 27 -2.738 0.690 4.269 200 HA ALA 27 HA ALA 27 -0.794 -1.278 3.302 201 1HB ALA 27 1HB ALA 27 -0.345 0.319 1.496 202 2HB ALA 27 2HB ALA 27 -2.061 -0.079 1.596 203 3HB ALA 27 3HB ALA 27 -1.474 1.459 2.226 204 H LYS 28 H LYS 28 1.272 -1.199 3.776 205 HA LYS 28 HA LYS 28 2.359 1.250 4.983 206 1HB LYS 28 1HB LYS 28 1.958 -0.244 6.834 207 2HB LYS 28 2HB LYS 28 2.720 -1.582 5.986 208 1HG LYS 28 1HG LYS 28 4.871 -0.474 6.111 209 2HG LYS 28 2HG LYS 28 4.128 0.919 6.898 210 1HD LYS 28 1HD LYS 28 3.564 -0.411 8.827 211 2HD LYS 28 2HD LYS 28 4.113 -1.883 8.025 212 1HE LYS 28 1HE LYS 28 6.390 -1.060 7.992 213 2HE LYS 28 2HE LYS 28 5.873 0.476 8.685 214 1HZ LYS 28 1HZ LYS 28 6.885 -1.206 10.258 215 2HZ LYS 28 2HZ LYS 28 5.456 -2.102 10.086 216 3HZ LYS 28 3HZ LYS 28 5.404 -0.532 10.729 217 H CYS 29 H CYS 29 4.375 1.798 4.367 218 HA CYS 29 HA CYS 29 5.600 0.353 2.183 219 1HB CYS 29 1HB CYS 29 5.510 2.872 2.351 220 2HB CYS 29 2HB CYS 29 6.623 2.765 3.709 221 H ILE 30 H ILE 30 6.394 -1.578 2.947 222 HA ILE 30 HA ILE 30 7.984 -1.469 5.421 223 HB ILE 30 HB ILE 30 5.949 -2.566 5.932 224 1HG1 ILE 30 1HG1 ILE 30 6.717 -4.888 6.487 225 2HG1 ILE 30 2HG1 ILE 30 8.170 -4.572 5.546 226 1HG2 ILE 30 1HG2 ILE 30 5.196 -3.110 3.687 227 2HG2 ILE 30 2HG2 ILE 30 6.400 -4.394 3.581 228 3HG2 ILE 30 3HG2 ILE 30 5.084 -4.512 4.752 229 1HD1 ILE 30 1HD1 ILE 30 7.295 -3.051 7.991 230 2HD1 ILE 30 2HD1 ILE 30 8.560 -4.276 7.925 231 3HD1 ILE 30 3HD1 ILE 30 8.763 -2.756 7.056 232 H ASN 31 H ASN 31 7.532 -3.598 2.568 233 HA ASN 31 HA ASN 31 10.313 -4.451 2.877 234 1HB ASN 31 1HB ASN 31 8.301 -6.052 2.485 235 2HB ASN 31 2HB ASN 31 8.395 -5.517 0.812 236 1HD2 ASN 31 1HD2 ASN 31 10.150 -6.152 -0.448 237 2HD2 ASN 31 2HD2 ASN 31 11.235 -7.410 0.039 238 H GLY 32 H GLY 32 9.992 -1.829 2.121 239 1HA GLY 32 1HA GLY 32 10.948 -0.375 0.617 240 2HA GLY 32 2HA GLY 32 11.379 -1.752 -0.393 241 H ARG 33 H ARG 33 8.216 -2.118 0.245 242 HA ARG 33 HA ARG 33 7.229 -0.294 -1.799 243 1HB ARG 33 1HB ARG 33 6.186 -1.951 -3.096 244 2HB ARG 33 2HB ARG 33 7.825 -2.534 -2.834 245 1HG ARG 33 1HG ARG 33 7.123 -4.101 -1.221 246 2HG ARG 33 2HG ARG 33 5.523 -3.365 -1.094 247 1HD ARG 33 1HD ARG 33 5.183 -5.247 -2.392 248 2HD ARG 33 2HD ARG 33 5.265 -3.933 -3.559 249 HE ARG 33 HE ARG 33 7.575 -4.650 -4.023 250 1HH1 ARG 33 2HH1 ARG 33 5.445 -6.887 -2.373 251 2HH1 ARG 33 1HH1 ARG 33 6.258 -8.311 -2.958 252 1HH2 ARG 33 2HH2 ARG 33 8.666 -6.530 -4.802 253 2HH2 ARG 33 1HH2 ARG 33 8.089 -8.104 -4.327 254 H CYS 34 H CYS 34 4.828 -0.272 -1.841 255 HA CYS 34 HA CYS 34 3.810 -0.281 0.855 256 1HB CYS 34 1HB CYS 34 2.438 0.420 -1.745 257 2HB CYS 34 2HB CYS 34 1.806 0.754 -0.130 258 H THR 35 H THR 35 3.308 -2.224 1.654 259 HA THR 35 HA THR 35 1.660 -4.022 0.028 260 HB THR 35 HB THR 35 2.936 -4.541 2.724 261 HG1 THR 35 1HG THR 35 3.789 -5.680 0.265 262 1HG2 THR 35 1HG2 THR 35 1.639 -6.408 0.733 263 2HG2 THR 35 2HG2 THR 35 0.987 -5.949 2.308 264 3HG2 THR 35 3HG2 THR 35 2.467 -6.905 2.209 265 H CYS 36 H CYS 36 -0.458 -4.176 0.377 266 HA CYS 36 HA CYS 36 -1.622 -2.584 2.552 267 1HB CYS 36 1HB CYS 36 -2.154 -2.612 -0.122 268 2HB CYS 36 2HB CYS 36 -3.384 -3.715 0.483 269 H TYR 37 H TYR 37 -2.456 -3.568 4.251 270 HA TYR 37 HA TYR 37 -2.951 -6.463 4.121 271 1HB TYR 37 1HB TYR 37 -2.466 -4.694 6.530 272 2HB TYR 37 2HB TYR 37 -2.624 -6.445 6.547 273 HD1 TYR 37 1HD TYR 37 -0.780 -7.850 6.024 274 HD2 TYR 37 2HD TYR 37 -0.456 -3.636 5.471 275 HE1 TYR 37 1HE TYR 37 1.649 -8.080 5.723 276 HE2 TYR 37 2HE TYR 37 1.973 -3.861 5.171 277 HH TYR 37 HH TYR 37 3.506 -6.859 4.679 278 HA PRO 38 HA PRO 38 -7.237 -4.966 4.629 279 1HB PRO 38 1HB PRO 38 -7.894 -7.358 3.076 280 2HB PRO 38 2HB PRO 38 -8.177 -5.658 2.677 281 1HG PRO 38 1HG PRO 38 -6.370 -7.089 1.308 282 2HG PRO 38 2HG PRO 38 -6.069 -5.381 1.734 283 1HD PRO 38 1HD PRO 38 -5.146 -7.848 3.211 284 2HD PRO 38 2HD PRO 38 -4.164 -6.491 2.596 Start of MODEL 8 1 HN PCA 1 H PCA 1 -0.474 -11.318 -0.130 2 HA PCA 1 HA PCA 1 -2.352 -9.959 0.967 3 1HB PCA 1 1HB PCA 1 -1.417 -8.979 2.803 4 2HB PCA 1 2HB PCA 1 -0.726 -7.762 1.716 5 1HG PCA 1 1HG PCA 1 0.635 -9.730 3.224 6 2HG PCA 1 2HG PCA 1 1.320 -8.599 2.035 7 H ILE 2 H ILE 2 -2.270 -7.176 0.573 8 HA ILE 2 HA ILE 2 -2.208 -7.076 -2.320 9 HB ILE 2 HB ILE 2 -3.166 -5.115 -0.246 10 1HG1 ILE 2 1HG1 ILE 2 -4.545 -6.662 -2.453 11 2HG1 ILE 2 2HG1 ILE 2 -4.650 -6.988 -0.725 12 1HG2 ILE 2 1HG2 ILE 2 -3.911 -3.677 -2.131 13 2HG2 ILE 2 2HG2 ILE 2 -2.157 -3.756 -1.957 14 3HG2 ILE 2 3HG2 ILE 2 -2.964 -4.686 -3.225 15 1HD1 ILE 2 1HD1 ILE 2 -5.766 -4.838 -0.396 16 2HD1 ILE 2 2HD1 ILE 2 -5.675 -4.531 -2.131 17 3HD1 ILE 2 3HD1 ILE 2 -6.644 -5.873 -1.521 18 H ASP 3 H ASP 3 -0.216 -6.919 -3.112 19 HA ASP 3 HA ASP 3 1.479 -4.742 -2.132 20 1HB ASP 3 1HB ASP 3 3.272 -5.753 -3.480 21 2HB ASP 3 2HB ASP 3 2.595 -6.918 -2.350 22 H THR 4 H THR 4 1.506 -2.879 -3.216 23 HA THR 4 HA THR 4 -0.183 -2.611 -5.524 24 HB THR 4 HB THR 4 0.574 -0.179 -5.389 25 HG1 THR 4 1HG THR 4 1.885 0.408 -3.772 26 1HG2 THR 4 1HG2 THR 4 -0.818 0.289 -3.449 27 2HG2 THR 4 2HG2 THR 4 -0.675 -1.388 -2.919 28 3HG2 THR 4 3HG2 THR 4 -1.533 -1.006 -4.412 29 H ASN 5 H ASN 5 2.916 -3.619 -5.211 30 HA ASN 5 HA ASN 5 4.808 -3.659 -6.460 31 1HB ASN 5 1HB ASN 5 3.151 -4.535 -8.155 32 2HB ASN 5 2HB ASN 5 3.007 -2.892 -8.773 33 1HD2 ASN 5 1HD2 ASN 5 3.785 -3.446 -10.795 34 2HD2 ASN 5 2HD2 ASN 5 5.455 -3.831 -11.066 35 H VAL 6 H VAL 6 4.307 -1.441 -5.063 36 HA VAL 6 HA VAL 6 5.410 0.740 -6.701 37 HB VAL 6 HB VAL 6 3.231 0.922 -4.607 38 1HG1 VAL 6 1HG1 VAL 6 4.750 2.766 -4.246 39 2HG1 VAL 6 2HG1 VAL 6 4.754 3.150 -5.969 40 3HG1 VAL 6 3HG1 VAL 6 3.284 3.371 -5.020 41 1HG2 VAL 6 1HG2 VAL 6 3.274 1.689 -7.526 42 2HG2 VAL 6 2HG2 VAL 6 2.428 0.312 -6.819 43 3HG2 VAL 6 3HG2 VAL 6 1.932 1.955 -6.415 44 H LYS 7 H LYS 7 7.434 1.002 -5.953 45 HA LYS 7 HA LYS 7 8.306 0.368 -3.351 46 1HB LYS 7 1HB LYS 7 9.532 2.337 -5.296 47 2HB LYS 7 2HB LYS 7 10.343 1.594 -3.920 48 1HG LYS 7 1HG LYS 7 10.047 -0.610 -4.965 49 2HG LYS 7 2HG LYS 7 9.290 0.172 -6.355 50 1HD LYS 7 1HD LYS 7 11.424 1.523 -6.573 51 2HD LYS 7 2HD LYS 7 12.139 0.398 -5.414 52 1HE LYS 7 1HE LYS 7 12.654 -0.320 -7.660 53 2HE LYS 7 2HE LYS 7 11.543 -1.468 -6.913 54 1HZ LYS 7 1HZ LYS 7 10.801 0.677 -8.835 55 2HZ LYS 7 2HZ LYS 7 9.715 -0.394 -8.098 56 3HZ LYS 7 3HZ LYS 7 10.882 -0.984 -9.176 57 H CYS 8 H CYS 8 8.437 1.560 -1.511 58 HA CYS 8 HA CYS 8 6.651 3.881 -1.556 59 1HB CYS 8 1HB CYS 8 6.331 3.356 0.867 60 2HB CYS 8 2HB CYS 8 5.823 2.069 -0.222 61 H SER 9 H SER 9 7.381 5.829 -1.119 62 HA SER 9 HA SER 9 9.837 6.125 0.470 63 1HB SER 9 1HB SER 9 9.670 8.550 -0.349 64 2HB SER 9 2HB SER 9 10.053 7.337 -1.572 65 HG SER 9 HG SER 9 7.828 7.348 -2.159 66 H GLY 10 H GLY 10 6.934 5.539 1.150 67 1HA GLY 10 1HA GLY 10 6.723 6.593 3.661 68 2HA GLY 10 2HA GLY 10 5.945 7.781 2.618 69 H SER 11 H SER 11 4.957 5.706 4.678 70 HA SER 11 HA SER 11 3.504 3.753 3.214 71 1HB SER 11 1HB SER 11 2.998 4.755 6.025 72 2HB SER 11 2HB SER 11 2.438 3.229 5.338 73 HG SER 11 HG SER 11 5.092 4.030 5.954 74 H SER 12 H SER 12 2.862 7.052 4.016 75 HA SER 12 HA SER 12 0.064 6.882 4.306 76 1HB SER 12 1HB SER 12 1.730 9.295 3.569 77 2HB SER 12 2HB SER 12 0.096 9.315 4.231 78 HG SER 12 HG SER 12 0.863 8.510 6.153 79 H LYS 13 H LYS 13 2.062 7.787 1.466 80 HA LYS 13 HA LYS 13 -0.132 8.415 -0.190 81 1HB LYS 13 1HB LYS 13 1.392 7.982 -2.103 82 2HB LYS 13 2HB LYS 13 2.075 9.062 -0.896 83 1HG LYS 13 1HG LYS 13 3.652 7.540 -0.227 84 2HG LYS 13 2HG LYS 13 2.691 6.153 -0.740 85 1HD LYS 13 1HD LYS 13 4.642 6.457 -2.178 86 2HD LYS 13 2HD LYS 13 3.146 6.688 -3.077 87 1HE LYS 13 1HE LYS 13 4.697 8.993 -1.923 88 2HE LYS 13 2HE LYS 13 5.061 8.324 -3.510 89 1HZ LYS 13 1HZ LYS 13 3.609 10.002 -4.033 90 2HZ LYS 13 2HZ LYS 13 2.696 9.824 -2.618 91 3HZ LYS 13 3HZ LYS 13 2.522 8.705 -3.886 92 H CYS 14 H CYS 14 1.360 5.402 0.681 93 HA CYS 14 HA CYS 14 0.192 3.780 -1.319 94 1HB CYS 14 1HB CYS 14 0.959 2.874 1.449 95 2HB CYS 14 2HB CYS 14 0.967 1.940 -0.033 96 H VAL 15 H VAL 15 -0.600 4.160 2.125 97 HA VAL 15 HA VAL 15 -2.891 2.578 2.121 98 HB VAL 15 HB VAL 15 -1.892 3.123 4.201 99 1HG1 VAL 15 1HG1 VAL 15 -1.707 5.359 5.078 100 2HG1 VAL 15 2HG1 VAL 15 -0.874 5.205 3.527 101 3HG1 VAL 15 3HG1 VAL 15 -2.443 6.008 3.611 102 1HG2 VAL 15 1HG2 VAL 15 -3.752 4.016 5.515 103 2HG2 VAL 15 2HG2 VAL 15 -4.523 4.588 4.034 104 3HG2 VAL 15 3HG2 VAL 15 -4.317 2.858 4.308 105 H LYS 16 H LYS 16 -2.462 5.973 1.338 106 HA LYS 16 HA LYS 16 -5.181 6.706 1.281 107 1HB LYS 16 1HB LYS 16 -3.483 8.401 1.337 108 2HB LYS 16 2HB LYS 16 -2.768 7.810 -0.156 109 1HG LYS 16 1HG LYS 16 -4.739 8.506 -1.397 110 2HG LYS 16 2HG LYS 16 -5.495 9.066 0.096 111 1HD LYS 16 1HD LYS 16 -3.787 10.735 0.392 112 2HD LYS 16 2HD LYS 16 -2.882 10.109 -0.988 113 1HE LYS 16 1HE LYS 16 -4.669 10.749 -2.490 114 2HE LYS 16 2HE LYS 16 -5.659 11.279 -1.128 115 1HZ LYS 16 1HZ LYS 16 -3.026 12.452 -1.839 116 2HZ LYS 16 2HZ LYS 16 -4.095 13.011 -0.652 117 3HZ LYS 16 3HZ LYS 16 -4.519 13.118 -2.290 118 H ILE 17 H ILE 17 -2.986 5.686 -1.344 119 HA ILE 17 HA ILE 17 -5.132 5.867 -3.262 120 HB ILE 17 HB ILE 17 -2.736 6.439 -3.764 121 1HG1 ILE 17 1HG1 ILE 17 -2.926 5.798 -6.046 122 2HG1 ILE 17 2HG1 ILE 17 -3.838 4.347 -5.632 123 1HG2 ILE 17 1HG2 ILE 17 -1.629 4.563 -2.725 124 2HG2 ILE 17 2HG2 ILE 17 -2.428 3.449 -3.834 125 3HG2 ILE 17 3HG2 ILE 17 -1.248 4.606 -4.447 126 1HD1 ILE 17 1HD1 ILE 17 -4.830 7.170 -5.295 127 2HD1 ILE 17 2HD1 ILE 17 -5.249 6.083 -6.623 128 3HD1 ILE 17 3HD1 ILE 17 -5.738 5.687 -4.973 129 H CYS 18 H CYS 18 -3.657 3.420 -1.360 130 HA CYS 18 HA CYS 18 -4.406 1.148 -2.849 131 1HB CYS 18 1HB CYS 18 -2.772 1.203 -0.933 132 2HB CYS 18 2HB CYS 18 -4.140 1.302 0.164 133 H ILE 19 H ILE 19 -6.209 3.272 -0.786 134 HA ILE 19 HA ILE 19 -8.460 1.549 -0.452 135 HB ILE 19 HB ILE 19 -8.375 4.568 -0.269 136 1HG1 ILE 19 1HG1 ILE 19 -8.134 2.526 1.951 137 2HG1 ILE 19 2HG1 ILE 19 -6.791 3.453 1.289 138 1HG2 ILE 19 1HG2 ILE 19 -10.403 4.361 1.065 139 2HG2 ILE 19 2HG2 ILE 19 -10.634 3.659 -0.537 140 3HG2 ILE 19 3HG2 ILE 19 -10.373 2.611 0.859 141 1HD1 ILE 19 1HD1 ILE 19 -7.592 4.393 3.388 142 2HD1 ILE 19 2HD1 ILE 19 -7.832 5.515 2.047 143 3HD1 ILE 19 3HD1 ILE 19 -9.197 4.598 2.684 144 H ASP 20 H ASP 20 -7.529 4.036 -2.759 145 HA ASP 20 HA ASP 20 -10.124 4.152 -3.996 146 1HB ASP 20 1HB ASP 20 -8.472 6.065 -3.925 147 2HB ASP 20 2HB ASP 20 -7.506 5.186 -5.105 148 H ARG 21 H ARG 21 -7.008 2.683 -4.678 149 HA ARG 21 HA ARG 21 -7.671 1.545 -7.173 150 1HB ARG 21 1HB ARG 21 -5.585 1.026 -5.087 151 2HB ARG 21 2HB ARG 21 -5.756 -0.067 -6.444 152 1HG ARG 21 1HG ARG 21 -5.239 1.674 -7.999 153 2HG ARG 21 2HG ARG 21 -5.271 2.889 -6.712 154 1HD ARG 21 1HD ARG 21 -3.338 1.992 -5.693 155 2HD ARG 21 2HD ARG 21 -3.407 0.527 -6.673 156 HE ARG 21 HE ARG 21 -2.876 3.152 -7.913 157 1HH1 ARG 21 2HH1 ARG 21 -2.010 -0.194 -7.337 158 2HH1 ARG 21 1HH1 ARG 21 -0.633 -0.157 -8.393 159 1HH2 ARG 21 2HH2 ARG 21 -1.040 3.204 -9.291 160 2HH2 ARG 21 1HH2 ARG 21 -0.084 1.762 -9.497 161 H TYR 22 H TYR 22 -7.537 0.124 -3.895 162 HA TYR 22 HA TYR 22 -8.951 -2.202 -4.995 163 1HB TYR 22 1HB TYR 22 -7.232 -2.102 -2.514 164 2HB TYR 22 2HB TYR 22 -7.932 -3.539 -3.253 165 HD1 TYR 22 1HD TYR 22 -7.090 -4.312 -5.467 166 HD2 TYR 22 2HD TYR 22 -5.187 -1.181 -3.308 167 HE1 TYR 22 1HE TYR 22 -5.076 -4.598 -6.844 168 HE2 TYR 22 2HE TYR 22 -3.165 -1.456 -4.679 169 HH TYR 22 HH TYR 22 -2.104 -3.360 -6.031 170 H ASN 23 H ASN 23 -8.585 -1.828 -1.604 171 HA ASN 23 HA ASN 23 -11.258 -0.876 -1.107 172 1HB ASN 23 1HB ASN 23 -11.844 -3.079 -1.831 173 2HB ASN 23 2HB ASN 23 -10.569 -3.802 -0.860 174 1HD2 ASN 23 1HD2 ASN 23 -13.714 -2.289 -0.795 175 2HD2 ASN 23 2HD2 ASN 23 -14.170 -2.872 0.770 176 H THR 24 H THR 24 -8.113 -1.525 -0.048 177 HA THR 24 HA THR 24 -8.940 -1.876 2.733 178 HB THR 24 HB THR 24 -7.618 -3.721 2.004 179 HG1 THR 24 1HG THR 24 -6.063 -3.654 3.582 180 1HG2 THR 24 1HG2 THR 24 -5.535 -1.716 1.143 181 2HG2 THR 24 2HG2 THR 24 -6.553 -2.682 0.075 182 3HG2 THR 24 3HG2 THR 24 -5.358 -3.471 1.106 183 H ARG 25 H ARG 25 -7.299 -1.008 4.326 184 HA ARG 25 HA ARG 25 -6.634 1.758 3.640 185 1HB ARG 25 1HB ARG 25 -7.928 2.574 5.567 186 2HB ARG 25 2HB ARG 25 -8.967 1.777 4.396 187 1HG ARG 25 1HG ARG 25 -7.952 0.501 6.939 188 2HG ARG 25 2HG ARG 25 -9.536 1.251 6.748 189 1HD ARG 25 1HD ARG 25 -10.053 -0.374 4.960 190 2HD ARG 25 2HD ARG 25 -8.489 -1.143 5.225 191 HE ARG 25 HE ARG 25 -10.526 -0.999 7.352 192 1HH1 ARG 25 2HH1 ARG 25 -8.233 -2.821 5.425 193 2HH1 ARG 25 1HH1 ARG 25 -8.578 -4.334 6.197 194 1HH2 ARG 25 2HH2 ARG 25 -11.005 -3.002 8.354 195 2HH2 ARG 25 1HH2 ARG 25 -10.168 -4.438 7.845 196 H GLY 26 H GLY 26 -5.403 -0.917 4.650 197 1HA GLY 26 1HA GLY 26 -3.879 0.319 6.856 198 2HA GLY 26 2HA GLY 26 -4.358 -1.374 6.887 199 H ALA 27 H ALA 27 -2.374 0.998 5.194 200 HA ALA 27 HA ALA 27 -0.830 -1.248 4.074 201 1HB ALA 27 1HB ALA 27 -1.055 1.555 2.986 202 2HB ALA 27 2HB ALA 27 -0.158 0.220 2.262 203 3HB ALA 27 3HB ALA 27 -1.919 0.147 2.368 204 H LYS 28 H LYS 28 1.338 -1.284 4.296 205 HA LYS 28 HA LYS 28 2.565 0.857 5.901 206 1HB LYS 28 1HB LYS 28 2.144 -1.048 7.354 207 2HB LYS 28 2HB LYS 28 2.910 -2.133 6.204 208 1HG LYS 28 1HG LYS 28 4.417 -1.751 8.005 209 2HG LYS 28 2HG LYS 28 5.047 -0.933 6.577 210 1HD LYS 28 1HD LYS 28 4.149 1.186 7.400 211 2HD LYS 28 2HD LYS 28 3.523 0.370 8.834 212 1HE LYS 28 1HE LYS 28 5.885 -0.331 9.335 213 2HE LYS 28 2HE LYS 28 6.406 0.728 8.025 214 1HZ LYS 28 1HZ LYS 28 5.232 2.561 9.241 215 2HZ LYS 28 2HZ LYS 28 6.606 1.947 10.020 216 3HZ LYS 28 3HZ LYS 28 5.060 1.497 10.553 217 H CYS 29 H CYS 29 4.451 1.617 5.138 218 HA CYS 29 HA CYS 29 5.717 0.417 2.839 219 1HB CYS 29 1HB CYS 29 5.744 2.847 3.103 220 2HB CYS 29 2HB CYS 29 6.555 2.694 4.656 221 H ILE 30 H ILE 30 6.765 -1.473 3.170 222 HA ILE 30 HA ILE 30 8.287 -1.727 5.664 223 HB ILE 30 HB ILE 30 6.272 -2.869 6.109 224 1HG1 ILE 30 1HG1 ILE 30 7.022 -5.229 6.370 225 2HG1 ILE 30 2HG1 ILE 30 8.411 -4.867 5.350 226 1HG2 ILE 30 1HG2 ILE 30 5.441 -3.100 3.824 227 2HG2 ILE 30 2HG2 ILE 30 6.601 -4.396 3.529 228 3HG2 ILE 30 3HG2 ILE 30 5.319 -4.616 4.718 229 1HD1 ILE 30 1HD1 ILE 30 9.027 -4.827 7.683 230 2HD1 ILE 30 2HD1 ILE 30 9.163 -3.212 6.990 231 3HD1 ILE 30 3HD1 ILE 30 7.786 -3.618 8.015 232 H ASN 31 H ASN 31 7.765 -3.610 2.644 233 HA ASN 31 HA ASN 31 10.548 -4.486 2.859 234 1HB ASN 31 1HB ASN 31 8.226 -5.506 1.217 235 2HB ASN 31 2HB ASN 31 9.870 -6.110 1.032 236 1HD2 ASN 31 1HD2 ASN 31 7.518 -7.564 1.839 237 2HD2 ASN 31 2HD2 ASN 31 7.848 -8.194 3.415 238 H GLY 32 H GLY 32 9.987 -1.813 2.046 239 1HA GLY 32 1HA GLY 32 11.160 -0.447 0.544 240 2HA GLY 32 2HA GLY 32 11.393 -1.838 -0.508 241 H ARG 33 H ARG 33 8.349 -2.243 0.079 242 HA ARG 33 HA ARG 33 7.344 -0.214 -1.776 243 1HB ARG 33 1HB ARG 33 6.177 -1.802 -3.085 244 2HB ARG 33 2HB ARG 33 7.837 -2.368 -2.959 245 1HG ARG 33 1HG ARG 33 7.284 -4.142 -1.632 246 2HG ARG 33 2HG ARG 33 5.837 -3.355 -0.992 247 1HD ARG 33 1HD ARG 33 5.118 -5.080 -2.443 248 2HD ARG 33 2HD ARG 33 4.828 -3.549 -3.266 249 HE ARG 33 HE ARG 33 6.904 -4.016 -4.546 250 1HH1 ARG 33 2HH1 ARG 33 5.298 -6.692 -2.950 251 2HH1 ARG 33 1HH1 ARG 33 5.755 -7.859 -4.156 252 1HH2 ARG 33 2HH2 ARG 33 7.554 -5.558 -6.115 253 2HH2 ARG 33 1HH2 ARG 33 7.084 -7.222 -5.927 254 H CYS 34 H CYS 34 4.907 -0.261 -1.856 255 HA CYS 34 HA CYS 34 3.888 -0.101 0.817 256 1HB CYS 34 1HB CYS 34 2.293 0.067 -1.737 257 2HB CYS 34 2HB CYS 34 1.888 0.754 -0.174 258 H THR 35 H THR 35 3.035 -1.714 1.944 259 HA THR 35 HA THR 35 1.788 -3.935 0.463 260 HB THR 35 HB THR 35 2.987 -4.078 3.233 261 HG1 THR 35 1HG THR 35 4.268 -3.881 0.969 262 1HG2 THR 35 1HG2 THR 35 1.262 -5.751 2.822 263 2HG2 THR 35 2HG2 THR 35 2.850 -6.519 2.847 264 3HG2 THR 35 3HG2 THR 35 2.042 -6.214 1.308 265 H CYS 36 H CYS 36 -0.330 -4.031 0.666 266 HA CYS 36 HA CYS 36 -1.621 -2.599 2.869 267 1HB CYS 36 1HB CYS 36 -2.833 -3.744 0.353 268 2HB CYS 36 2HB CYS 36 -3.646 -2.717 1.529 269 H TYR 37 H TYR 37 -2.457 -3.634 4.502 270 HA TYR 37 HA TYR 37 -2.902 -6.530 4.296 271 1HB TYR 37 1HB TYR 37 -2.709 -4.834 6.798 272 2HB TYR 37 2HB TYR 37 -2.706 -6.592 6.706 273 HD1 TYR 37 1HD TYR 37 -0.709 -3.550 6.260 274 HD2 TYR 37 2HD TYR 37 -0.706 -7.798 6.007 275 HE1 TYR 37 1HE TYR 37 1.747 -3.539 6.205 276 HE2 TYR 37 2HE TYR 37 1.753 -7.797 5.942 277 HH TYR 37 HH TYR 37 3.595 -6.261 5.354 278 HA PRO 38 HA PRO 38 -7.144 -4.835 4.169 279 1HB PRO 38 1HB PRO 38 -7.729 -7.403 2.866 280 2HB PRO 38 2HB PRO 38 -7.955 -5.760 2.255 281 1HG PRO 38 1HG PRO 38 -6.056 -7.339 1.238 282 2HG PRO 38 2HG PRO 38 -5.766 -5.600 1.487 283 1HD PRO 38 1HD PRO 38 -4.971 -7.902 3.255 284 2HD PRO 38 2HD PRO 38 -3.968 -6.562 2.647 Start of MODEL 9 1 HN PCA 1 H PCA 1 -1.485 -11.435 -0.002 2 HA PCA 1 HA PCA 1 -2.866 -9.511 0.763 3 1HB PCA 1 1HB PCA 1 -1.694 -8.810 2.607 4 2HB PCA 1 2HB PCA 1 -0.870 -7.703 1.496 5 1HG PCA 1 1HG PCA 1 0.271 -9.810 2.957 6 2HG PCA 1 2HG PCA 1 1.036 -8.874 1.650 7 H ILE 2 H ILE 2 -2.723 -7.056 0.043 8 HA ILE 2 HA ILE 2 -2.138 -7.092 -2.787 9 HB ILE 2 HB ILE 2 -3.350 -4.955 -1.027 10 1HG1 ILE 2 1HG1 ILE 2 -4.556 -6.700 -3.183 11 2HG1 ILE 2 2HG1 ILE 2 -4.752 -6.945 -1.451 12 1HG2 ILE 2 1HG2 ILE 2 -2.860 -4.909 -4.004 13 2HG2 ILE 2 2HG2 ILE 2 -3.900 -3.773 -3.143 14 3HG2 ILE 2 3HG2 ILE 2 -2.170 -3.824 -2.792 15 1HD1 ILE 2 1HD1 ILE 2 -6.709 -5.892 -2.390 16 2HD1 ILE 2 2HD1 ILE 2 -5.891 -4.782 -1.293 17 3HD1 ILE 2 3HD1 ILE 2 -5.724 -4.579 -3.036 18 H ASP 3 H ASP 3 0.099 -7.062 -3.025 19 HA ASP 3 HA ASP 3 1.334 -4.552 -2.125 20 1HB ASP 3 1HB ASP 3 3.469 -5.524 -2.241 21 2HB ASP 3 2HB ASP 3 2.475 -6.797 -1.547 22 H THR 4 H THR 4 1.834 -3.071 -3.601 23 HA THR 4 HA THR 4 0.803 -3.545 -6.259 24 HB THR 4 HB THR 4 1.356 -1.058 -6.520 25 HG1 THR 4 1HG THR 4 1.974 0.032 -4.732 26 1HG2 THR 4 1HG2 THR 4 -0.572 -1.896 -4.344 27 2HG2 THR 4 2HG2 THR 4 -0.910 -1.894 -6.074 28 3HG2 THR 4 3HG2 THR 4 -0.613 -0.372 -5.234 29 H ASN 5 H ASN 5 3.673 -4.183 -4.917 30 HA ASN 5 HA ASN 5 5.856 -4.256 -5.540 31 1HB ASN 5 1HB ASN 5 4.810 -5.666 -7.325 32 2HB ASN 5 2HB ASN 5 4.710 -4.234 -8.346 33 1HD2 ASN 5 1HD2 ASN 5 6.033 -5.009 -9.930 34 2HD2 ASN 5 2HD2 ASN 5 7.732 -5.267 -9.709 35 H VAL 6 H VAL 6 5.029 -1.851 -4.850 36 HA VAL 6 HA VAL 6 6.347 0.011 -6.703 37 HB VAL 6 HB VAL 6 3.758 0.407 -5.208 38 1HG1 VAL 6 1HG1 VAL 6 5.422 2.464 -6.673 39 2HG1 VAL 6 2HG1 VAL 6 3.780 2.725 -6.087 40 3HG1 VAL 6 3HG1 VAL 6 5.088 2.424 -4.942 41 1HG2 VAL 6 1HG2 VAL 6 3.524 -0.698 -7.357 42 2HG2 VAL 6 2HG2 VAL 6 2.859 0.933 -7.434 43 3HG2 VAL 6 3HG2 VAL 6 4.437 0.588 -8.143 44 H LYS 7 H LYS 7 8.115 0.661 -5.674 45 HA LYS 7 HA LYS 7 8.654 0.576 -2.979 46 1HB LYS 7 1HB LYS 7 10.496 2.097 -3.380 47 2HB LYS 7 2HB LYS 7 10.377 0.954 -4.703 48 1HG LYS 7 1HG LYS 7 9.431 3.814 -4.772 49 2HG LYS 7 2HG LYS 7 10.937 3.210 -5.459 50 1HD LYS 7 1HD LYS 7 9.381 1.608 -6.789 51 2HD LYS 7 2HD LYS 7 8.120 2.771 -6.376 52 1HE LYS 7 1HE LYS 7 8.847 3.578 -8.402 53 2HE LYS 7 2HE LYS 7 9.834 4.512 -7.279 54 1HZ LYS 7 1HZ LYS 7 11.195 3.665 -9.054 55 2HZ LYS 7 2HZ LYS 7 10.670 2.079 -8.762 56 3HZ LYS 7 3HZ LYS 7 11.627 2.879 -7.613 57 H CYS 8 H CYS 8 8.487 2.014 -1.263 58 HA CYS 8 HA CYS 8 5.974 3.412 -1.435 59 1HB CYS 8 1HB CYS 8 6.123 3.577 0.992 60 2HB CYS 8 2HB CYS 8 6.480 1.936 0.465 61 H SER 9 H SER 9 5.602 5.510 -1.428 62 HA SER 9 HA SER 9 7.878 7.336 -1.472 63 1HB SER 9 1HB SER 9 6.196 7.373 -3.332 64 2HB SER 9 2HB SER 9 4.971 7.867 -2.165 65 HG SER 9 HG SER 9 6.393 9.698 -1.717 66 H GLY 10 H GLY 10 7.338 6.307 1.032 67 1HA GLY 10 1HA GLY 10 7.533 7.616 3.053 68 2HA GLY 10 2HA GLY 10 6.326 8.707 2.401 69 H SER 11 H SER 11 5.778 5.365 2.029 70 HA SER 11 HA SER 11 4.370 3.828 2.871 71 1HB SER 11 1HB SER 11 3.968 3.691 5.264 72 2HB SER 11 2HB SER 11 5.659 4.046 4.937 73 HG SER 11 HG SER 11 4.884 6.352 5.267 74 H SER 12 H SER 12 3.323 7.073 3.937 75 HA SER 12 HA SER 12 0.645 6.361 4.402 76 1HB SER 12 1HB SER 12 1.804 8.380 5.295 77 2HB SER 12 2HB SER 12 1.704 9.099 3.691 78 HG SER 12 HG SER 12 -0.147 9.017 5.630 79 H LYS 13 H LYS 13 2.272 7.583 1.521 80 HA LYS 13 HA LYS 13 0.159 8.249 -0.112 81 1HB LYS 13 1HB LYS 13 2.662 8.328 -0.637 82 2HB LYS 13 2HB LYS 13 2.513 6.633 -1.078 83 1HG LYS 13 1HG LYS 13 2.403 7.890 -3.080 84 2HG LYS 13 2HG LYS 13 0.775 7.297 -2.744 85 1HD LYS 13 1HD LYS 13 0.693 9.611 -3.473 86 2HD LYS 13 2HD LYS 13 0.196 9.490 -1.784 87 1HE LYS 13 1HE LYS 13 2.360 10.249 -1.045 88 2HE LYS 13 2HE LYS 13 2.972 10.220 -2.698 89 1HZ LYS 13 1HZ LYS 13 0.733 11.955 -1.806 90 2HZ LYS 13 2HZ LYS 13 1.559 12.016 -3.284 91 3HZ LYS 13 3HZ LYS 13 2.352 12.455 -1.854 92 H CYS 14 H CYS 14 1.512 5.049 0.489 93 HA CYS 14 HA CYS 14 -0.129 3.657 -1.348 94 1HB CYS 14 1HB CYS 14 0.930 2.283 1.075 95 2HB CYS 14 2HB CYS 14 0.937 1.762 -0.604 96 H VAL 15 H VAL 15 -0.317 4.253 2.135 97 HA VAL 15 HA VAL 15 -2.521 2.669 2.769 98 HB VAL 15 HB VAL 15 -1.989 5.386 3.973 99 1HG1 VAL 15 1HG1 VAL 15 -4.050 4.333 4.696 100 2HG1 VAL 15 2HG1 VAL 15 -3.172 2.866 5.129 101 3HG1 VAL 15 3HG1 VAL 15 -2.879 4.362 6.016 102 1HG2 VAL 15 1HG2 VAL 15 -0.457 4.301 5.532 103 2HG2 VAL 15 2HG2 VAL 15 -0.636 2.783 4.653 104 3HG2 VAL 15 3HG2 VAL 15 0.115 4.170 3.867 105 H LYS 16 H LYS 16 -2.301 5.902 1.466 106 HA LYS 16 HA LYS 16 -5.087 6.481 1.662 107 1HB LYS 16 1HB LYS 16 -3.536 8.297 1.713 108 2HB LYS 16 2HB LYS 16 -2.791 7.785 0.207 109 1HG LYS 16 1HG LYS 16 -4.187 9.743 -0.114 110 2HG LYS 16 2HG LYS 16 -4.814 8.358 -1.007 111 1HD LYS 16 1HD LYS 16 -6.471 7.968 0.727 112 2HD LYS 16 2HD LYS 16 -5.822 9.312 1.670 113 1HE LYS 16 1HE LYS 16 -7.026 9.510 -1.086 114 2HE LYS 16 2HE LYS 16 -7.838 9.947 0.421 115 1HZ LYS 16 1HZ LYS 16 -5.679 11.331 -1.000 116 2HZ LYS 16 2HZ LYS 16 -5.713 11.438 0.691 117 3HZ LYS 16 3HZ LYS 16 -7.044 11.973 -0.217 118 H ILE 17 H ILE 17 -2.938 5.729 -1.081 119 HA ILE 17 HA ILE 17 -5.126 6.001 -2.908 120 HB ILE 17 HB ILE 17 -2.789 6.663 -3.437 121 1HG1 ILE 17 1HG1 ILE 17 -3.018 6.169 -5.754 122 2HG1 ILE 17 2HG1 ILE 17 -3.887 4.672 -5.416 123 1HG2 ILE 17 1HG2 ILE 17 -1.262 4.925 -4.304 124 2HG2 ILE 17 2HG2 ILE 17 -1.555 4.793 -2.567 125 3HG2 ILE 17 3HG2 ILE 17 -2.368 3.695 -3.688 126 1HD1 ILE 17 1HD1 ILE 17 -5.382 6.426 -6.228 127 2HD1 ILE 17 2HD1 ILE 17 -5.786 5.936 -4.578 128 3HD1 ILE 17 3HD1 ILE 17 -4.921 7.450 -4.866 129 H CYS 18 H CYS 18 -3.547 3.336 -1.339 130 HA CYS 18 HA CYS 18 -4.440 1.283 -3.050 131 1HB CYS 18 1HB CYS 18 -2.743 1.148 -1.136 132 2HB CYS 18 2HB CYS 18 -4.120 0.971 -0.066 133 H ILE 19 H ILE 19 -6.060 3.172 -0.622 134 HA ILE 19 HA ILE 19 -8.333 1.487 -0.332 135 HB ILE 19 HB ILE 19 -8.170 4.468 0.141 136 1HG1 ILE 19 1HG1 ILE 19 -7.777 2.192 2.096 137 2HG1 ILE 19 2HG1 ILE 19 -6.492 3.210 1.452 138 1HG2 ILE 19 1HG2 ILE 19 -10.456 3.620 -0.036 139 2HG2 ILE 19 2HG2 ILE 19 -10.108 2.417 1.204 140 3HG2 ILE 19 3HG2 ILE 19 -10.086 4.133 1.609 141 1HD1 ILE 19 1HD1 ILE 19 -8.792 4.154 3.147 142 2HD1 ILE 19 2HD1 ILE 19 -7.138 3.881 3.698 143 3HD1 ILE 19 3HD1 ILE 19 -7.479 5.153 2.523 144 H ASP 20 H ASP 20 -7.585 4.278 -2.370 145 HA ASP 20 HA ASP 20 -10.223 4.540 -3.411 146 1HB ASP 20 1HB ASP 20 -8.598 6.404 -3.383 147 2HB ASP 20 2HB ASP 20 -7.604 5.544 -4.555 148 H ARG 21 H ARG 21 -7.340 2.844 -4.401 149 HA ARG 21 HA ARG 21 -8.359 2.097 -6.965 150 1HB ARG 21 1HB ARG 21 -5.905 1.497 -5.375 151 2HB ARG 21 2HB ARG 21 -6.290 0.500 -6.768 152 1HG ARG 21 1HG ARG 21 -6.158 2.318 -8.242 153 2HG ARG 21 2HG ARG 21 -6.179 3.488 -6.921 154 1HD ARG 21 1HD ARG 21 -3.990 2.725 -6.198 155 2HD ARG 21 2HD ARG 21 -3.966 1.520 -7.492 156 HE ARG 21 HE ARG 21 -4.417 3.918 -8.744 157 1HH1 ARG 21 2HH1 ARG 21 -1.873 2.589 -6.732 158 2HH1 ARG 21 1HH1 ARG 21 -0.644 3.619 -7.399 159 1HH2 ARG 21 2HH2 ARG 21 -2.812 5.227 -9.633 160 2HH2 ARG 21 1HH2 ARG 21 -1.180 5.122 -9.051 161 H TYR 22 H TYR 22 -7.955 0.401 -3.847 162 HA TYR 22 HA TYR 22 -9.604 -1.737 -5.007 163 1HB TYR 22 1HB TYR 22 -7.486 -2.115 -2.883 164 2HB TYR 22 2HB TYR 22 -8.363 -3.371 -3.753 165 HD1 TYR 22 1HD TYR 22 -8.005 -3.486 -6.300 166 HD2 TYR 22 2HD TYR 22 -5.422 -1.374 -3.670 167 HE1 TYR 22 1HE TYR 22 -6.240 -3.544 -7.998 168 HE2 TYR 22 2HE TYR 22 -3.644 -1.425 -5.368 169 HH TYR 22 HH TYR 22 -3.033 -2.859 -7.349 170 H ASN 23 H ASN 23 -8.770 -2.291 -1.851 171 HA ASN 23 HA ASN 23 -10.745 -0.725 -0.510 172 1HB ASN 23 1HB ASN 23 -12.238 -2.391 -1.550 173 2HB ASN 23 2HB ASN 23 -11.282 -3.686 -0.832 174 1HD2 ASN 23 1HD2 ASN 23 -13.123 -4.460 0.243 175 2HD2 ASN 23 2HD2 ASN 23 -13.730 -3.676 1.669 176 H THR 24 H THR 24 -9.104 -0.200 0.874 177 HA THR 24 HA THR 24 -8.141 -2.360 2.608 178 HB THR 24 HB THR 24 -5.886 -1.320 2.635 179 HG1 THR 24 1HG THR 24 -6.953 0.735 1.653 180 1HG2 THR 24 1HG2 THR 24 -6.174 -3.209 1.172 181 2HG2 THR 24 2HG2 THR 24 -5.186 -2.007 0.338 182 3HG2 THR 24 3HG2 THR 24 -6.894 -2.187 -0.074 183 H ARG 25 H ARG 25 -7.598 -1.682 4.725 184 HA ARG 25 HA ARG 25 -8.385 1.075 5.360 185 1HB ARG 25 1HB ARG 25 -8.931 0.264 7.654 186 2HB ARG 25 2HB ARG 25 -9.980 -0.369 6.403 187 1HG ARG 25 1HG ARG 25 -7.645 -1.933 7.454 188 2HG ARG 25 2HG ARG 25 -9.226 -1.962 8.234 189 1HD ARG 25 1HD ARG 25 -8.495 -2.880 5.461 190 2HD ARG 25 2HD ARG 25 -9.153 -3.837 6.787 191 HE ARG 25 HE ARG 25 -10.913 -1.719 5.991 192 1HH1 ARG 25 2HH1 ARG 25 -9.906 -5.007 5.268 193 2HH1 ARG 25 1HH1 ARG 25 -11.376 -5.386 4.405 194 1HH2 ARG 25 2HH2 ARG 25 -12.821 -2.221 4.869 195 2HH2 ARG 25 1HH2 ARG 25 -13.029 -3.804 4.177 196 H GLY 26 H GLY 26 -5.793 -0.650 4.806 197 1HA GLY 26 1HA GLY 26 -4.065 1.048 6.243 198 2HA GLY 26 2HA GLY 26 -4.157 -0.517 7.042 199 H ALA 27 H ALA 27 -2.295 1.181 5.098 200 HA ALA 27 HA ALA 27 -1.182 -1.244 3.864 201 1HB ALA 27 1HB ALA 27 -2.167 0.161 2.099 202 2HB ALA 27 2HB ALA 27 -1.182 1.522 2.635 203 3HB ALA 27 3HB ALA 27 -0.408 0.086 1.961 204 H LYS 28 H LYS 28 1.215 -1.090 3.611 205 HA LYS 28 HA LYS 28 2.479 0.929 5.297 206 1HB LYS 28 1HB LYS 28 1.715 -0.968 6.776 207 2HB LYS 28 2HB LYS 28 2.800 -2.023 5.887 208 1HG LYS 28 1HG LYS 28 4.665 -0.466 6.566 209 2HG LYS 28 2HG LYS 28 3.505 0.294 7.658 210 1HD LYS 28 1HD LYS 28 3.098 -1.963 8.659 211 2HD LYS 28 2HD LYS 28 4.432 -2.575 7.679 212 1HE LYS 28 1HE LYS 28 5.379 -2.104 9.774 213 2HE LYS 28 2HE LYS 28 5.841 -0.746 8.745 214 1HZ LYS 28 1HZ LYS 28 4.143 0.597 9.720 215 2HZ LYS 28 2HZ LYS 28 5.042 -0.093 10.983 216 3HZ LYS 28 3HZ LYS 28 3.513 -0.716 10.590 217 H CYS 29 H CYS 29 4.727 1.026 5.097 218 HA CYS 29 HA CYS 29 5.808 -0.283 2.713 219 1HB CYS 29 1HB CYS 29 6.110 2.158 2.898 220 2HB CYS 29 2HB CYS 29 6.948 1.939 4.431 221 H ILE 30 H ILE 30 6.500 -2.291 3.225 222 HA ILE 30 HA ILE 30 7.560 -2.709 5.924 223 HB ILE 30 HB ILE 30 5.659 -4.089 5.426 224 1HG1 ILE 30 1HG1 ILE 30 6.652 -6.369 5.712 225 2HG1 ILE 30 2HG1 ILE 30 8.237 -5.659 5.420 226 1HG2 ILE 30 1HG2 ILE 30 7.192 -5.119 3.048 227 2HG2 ILE 30 2HG2 ILE 30 5.653 -5.755 3.631 228 3HG2 ILE 30 3HG2 ILE 30 5.749 -4.104 3.011 229 1HD1 ILE 30 1HD1 ILE 30 7.796 -5.960 7.797 230 2HD1 ILE 30 2HD1 ILE 30 7.984 -4.254 7.386 231 3HD1 ILE 30 3HD1 ILE 30 6.375 -4.923 7.666 232 H ASN 31 H ASN 31 8.281 -3.655 2.564 233 HA ASN 31 HA ASN 31 11.047 -4.181 3.434 234 1HB ASN 31 1HB ASN 31 9.596 -6.123 2.551 235 2HB ASN 31 2HB ASN 31 9.768 -5.367 0.972 236 1HD2 ASN 31 1HD2 ASN 31 11.669 -5.576 -0.130 237 2HD2 ASN 31 2HD2 ASN 31 12.993 -6.552 0.422 238 H GLY 32 H GLY 32 9.590 -1.726 2.436 239 1HA GLY 32 1HA GLY 32 10.874 0.090 1.509 240 2HA GLY 32 2HA GLY 32 11.572 -1.047 0.367 241 H ARG 33 H ARG 33 8.510 -1.994 0.372 242 HA ARG 33 HA ARG 33 7.584 0.109 -1.446 243 1HB ARG 33 1HB ARG 33 6.721 -1.507 -3.013 244 2HB ARG 33 2HB ARG 33 8.444 -1.768 -2.788 245 1HG ARG 33 1HG ARG 33 8.051 -3.693 -1.449 246 2HG ARG 33 2HG ARG 33 6.315 -3.369 -1.399 247 1HD ARG 33 1HD ARG 33 6.116 -3.751 -3.763 248 2HD ARG 33 2HD ARG 33 7.870 -3.903 -3.921 249 HE ARG 33 HE ARG 33 6.341 -5.811 -2.273 250 1HH1 ARG 33 2HH1 ARG 33 8.461 -5.132 -4.975 251 2HH1 ARG 33 1HH1 ARG 33 8.919 -6.785 -5.213 252 1HH2 ARG 33 2HH2 ARG 33 6.936 -8.014 -2.588 253 2HH2 ARG 33 1HH2 ARG 33 8.065 -8.418 -3.849 254 H CYS 34 H CYS 34 5.198 -0.254 -1.989 255 HA CYS 34 HA CYS 34 3.813 -0.146 0.509 256 1HB CYS 34 1HB CYS 34 2.625 -0.076 -2.269 257 2HB CYS 34 2HB CYS 34 1.891 0.525 -0.789 258 H THR 35 H THR 35 2.962 -1.776 1.553 259 HA THR 35 HA THR 35 1.731 -3.957 0.010 260 HB THR 35 HB THR 35 3.099 -4.196 2.700 261 HG1 THR 35 1HG THR 35 3.985 -4.412 0.126 262 1HG2 THR 35 1HG2 THR 35 1.205 -5.719 2.519 263 2HG2 THR 35 2HG2 THR 35 2.719 -6.621 2.404 264 3HG2 THR 35 3HG2 THR 35 1.781 -6.281 0.949 265 H CYS 36 H CYS 36 -0.377 -4.068 0.305 266 HA CYS 36 HA CYS 36 -1.583 -2.493 2.454 267 1HB CYS 36 1HB CYS 36 -2.920 -3.777 0.067 268 2HB CYS 36 2HB CYS 36 -3.599 -2.548 1.133 269 H TYR 37 H TYR 37 -2.807 -3.371 4.023 270 HA TYR 37 HA TYR 37 -3.193 -6.287 3.935 271 1HB TYR 37 1HB TYR 37 -2.769 -4.545 6.378 272 2HB TYR 37 2HB TYR 37 -3.027 -6.286 6.386 273 HD1 TYR 37 1HD TYR 37 -1.251 -7.810 5.800 274 HD2 TYR 37 2HD TYR 37 -0.645 -3.604 5.590 275 HE1 TYR 37 1HE TYR 37 1.177 -8.173 5.628 276 HE2 TYR 37 2HE TYR 37 1.779 -3.951 5.414 277 HH TYR 37 HH TYR 37 3.165 -7.004 4.813 278 HA PRO 38 HA PRO 38 -7.353 -4.343 3.947 279 1HB PRO 38 1HB PRO 38 -8.070 -6.675 2.334 280 2HB PRO 38 2HB PRO 38 -8.187 -4.960 1.928 281 1HG PRO 38 1HG PRO 38 -6.390 -6.588 0.740 282 2HG PRO 38 2HG PRO 38 -6.042 -4.878 1.073 283 1HD PRO 38 1HD PRO 38 -5.216 -7.311 2.620 284 2HD PRO 38 2HD PRO 38 -4.250 -5.894 2.152 Start of MODEL 10 1 HN PCA 1 H PCA 1 -2.833 -10.773 0.858 2 HA PCA 1 HA PCA 1 -2.731 -8.281 1.837 3 1HB PCA 1 1HB PCA 1 -0.680 -7.894 2.748 4 2HB PCA 1 2HB PCA 1 0.154 -8.534 1.321 5 1HG PCA 1 1HG PCA 1 -0.454 -9.826 3.842 6 2HG PCA 1 2HG PCA 1 0.608 -10.364 2.520 7 H ILE 2 H ILE 2 -2.369 -6.525 0.449 8 HA ILE 2 HA ILE 2 -2.247 -7.272 -2.385 9 HB ILE 2 HB ILE 2 -3.281 -4.777 -1.027 10 1HG1 ILE 2 1HG1 ILE 2 -4.760 -6.943 -2.538 11 2HG1 ILE 2 2HG1 ILE 2 -4.681 -6.821 -0.784 12 1HG2 ILE 2 1HG2 ILE 2 -4.094 -4.115 -3.255 13 2HG2 ILE 2 2HG2 ILE 2 -2.332 -4.178 -3.162 14 3HG2 ILE 2 3HG2 ILE 2 -3.223 -5.481 -3.956 15 1HD1 ILE 2 1HD1 ILE 2 -5.916 -4.809 -2.650 16 2HD1 ILE 2 2HD1 ILE 2 -6.776 -5.949 -1.615 17 3HD1 ILE 2 3HD1 ILE 2 -5.816 -4.656 -0.894 18 H ASP 3 H ASP 3 -0.315 -7.013 -3.317 19 HA ASP 3 HA ASP 3 1.407 -4.824 -2.406 20 1HB ASP 3 1HB ASP 3 1.987 -7.150 -4.254 21 2HB ASP 3 2HB ASP 3 3.137 -5.876 -3.876 22 H THR 4 H THR 4 1.635 -3.024 -3.555 23 HA THR 4 HA THR 4 0.320 -2.725 -6.097 24 HB THR 4 HB THR 4 1.472 -0.436 -6.007 25 HG1 THR 4 1HG THR 4 1.969 -0.226 -3.486 26 1HG2 THR 4 1HG2 THR 4 -0.855 -0.753 -5.337 27 2HG2 THR 4 2HG2 THR 4 -0.059 0.392 -4.257 28 3HG2 THR 4 3HG2 THR 4 -0.339 -1.271 -3.729 29 H ASN 5 H ASN 5 3.389 -3.547 -4.894 30 HA ASN 5 HA ASN 5 5.308 -4.297 -5.811 31 1HB ASN 5 1HB ASN 5 3.603 -5.391 -7.475 32 2HB ASN 5 2HB ASN 5 4.155 -4.145 -8.589 33 1HD2 ASN 5 1HD2 ASN 5 5.040 -7.001 -6.817 34 2HD2 ASN 5 2HD2 ASN 5 6.517 -7.311 -7.658 35 H VAL 6 H VAL 6 4.920 -1.769 -5.201 36 HA VAL 6 HA VAL 6 6.523 -0.240 -7.086 37 HB VAL 6 HB VAL 6 3.704 0.306 -6.254 38 1HG1 VAL 6 1HG1 VAL 6 5.703 2.456 -6.903 39 2HG1 VAL 6 2HG1 VAL 6 3.955 2.678 -6.816 40 3HG1 VAL 6 3HG1 VAL 6 4.856 2.220 -5.373 41 1HG2 VAL 6 1HG2 VAL 6 5.243 0.743 -8.808 42 2HG2 VAL 6 2HG2 VAL 6 4.105 -0.560 -8.474 43 3HG2 VAL 6 3HG2 VAL 6 3.534 1.105 -8.578 44 H LYS 7 H LYS 7 8.054 0.852 -6.013 45 HA LYS 7 HA LYS 7 8.334 0.761 -3.209 46 1HB LYS 7 1HB LYS 7 9.700 2.629 -5.153 47 2HB LYS 7 2HB LYS 7 10.244 2.237 -3.529 48 1HG LYS 7 1HG LYS 7 10.656 -0.056 -4.187 49 2HG LYS 7 2HG LYS 7 10.026 0.276 -5.804 50 1HD LYS 7 1HD LYS 7 12.479 1.498 -4.535 51 2HD LYS 7 2HD LYS 7 12.448 0.321 -5.849 52 1HE LYS 7 1HE LYS 7 11.301 1.935 -7.276 53 2HE LYS 7 2HE LYS 7 11.295 3.106 -5.961 54 1HZ LYS 7 1HZ LYS 7 13.749 3.016 -5.995 55 2HZ LYS 7 2HZ LYS 7 13.084 3.613 -7.437 56 3HZ LYS 7 3HZ LYS 7 13.673 2.024 -7.370 57 H CYS 8 H CYS 8 8.128 2.356 -1.652 58 HA CYS 8 HA CYS 8 6.347 4.586 -2.408 59 1HB CYS 8 1HB CYS 8 5.541 4.427 -0.028 60 2HB CYS 8 2HB CYS 8 5.161 3.026 -1.026 61 H SER 9 H SER 9 6.654 6.600 -1.391 62 HA SER 9 HA SER 9 9.326 7.209 -0.536 63 1HB SER 9 1HB SER 9 8.230 9.502 -0.112 64 2HB SER 9 2HB SER 9 8.246 8.915 -1.777 65 HG SER 9 HG SER 9 6.131 9.499 -0.188 66 H GLY 10 H GLY 10 6.159 6.918 0.924 67 1HA GLY 10 1HA GLY 10 7.379 6.335 3.493 68 2HA GLY 10 2HA GLY 10 6.291 7.721 3.443 69 H SER 11 H SER 11 5.606 5.714 5.084 70 HA SER 11 HA SER 11 4.230 3.536 4.022 71 1HB SER 11 1HB SER 11 3.027 3.567 6.269 72 2HB SER 11 2HB SER 11 4.787 3.514 6.337 73 HG SER 11 HG SER 11 3.801 5.079 7.775 74 H SER 12 H SER 12 3.281 6.863 4.334 75 HA SER 12 HA SER 12 0.464 6.424 4.302 76 1HB SER 12 1HB SER 12 1.390 8.423 5.326 77 2HB SER 12 2HB SER 12 2.062 8.936 3.780 78 HG SER 12 HG SER 12 -0.420 8.576 3.243 79 H LYS 13 H LYS 13 2.733 6.136 1.863 80 HA LYS 13 HA LYS 13 1.416 7.421 -0.282 81 1HB LYS 13 1HB LYS 13 3.790 6.765 -0.371 82 2HB LYS 13 2HB LYS 13 3.316 5.071 -0.361 83 1HG LYS 13 1HG LYS 13 3.905 5.884 -2.601 84 2HG LYS 13 2HG LYS 13 2.241 5.304 -2.499 85 1HD LYS 13 1HD LYS 13 1.474 7.637 -2.256 86 2HD LYS 13 2HD LYS 13 3.142 8.186 -2.441 87 1HE LYS 13 1HE LYS 13 1.658 6.547 -4.484 88 2HE LYS 13 2HE LYS 13 1.776 8.306 -4.527 89 1HZ LYS 13 1HZ LYS 13 4.156 8.135 -4.729 90 2HZ LYS 13 2HZ LYS 13 3.431 7.198 -5.944 91 3HZ LYS 13 3HZ LYS 13 4.096 6.447 -4.578 92 H CYS 14 H CYS 14 1.501 3.992 0.678 93 HA CYS 14 HA CYS 14 -0.399 3.280 -1.343 94 1HB CYS 14 1HB CYS 14 1.219 1.873 0.656 95 2HB CYS 14 2HB CYS 14 -0.346 1.134 0.327 96 H VAL 15 H VAL 15 -0.554 3.825 2.137 97 HA VAL 15 HA VAL 15 -2.962 2.518 2.627 98 HB VAL 15 HB VAL 15 -1.515 3.113 4.438 99 1HG1 VAL 15 1HG1 VAL 15 -1.168 5.403 5.151 100 2HG1 VAL 15 2HG1 VAL 15 -0.626 5.161 3.486 101 3HG1 VAL 15 3HG1 VAL 15 -2.154 5.980 3.805 102 1HG2 VAL 15 1HG2 VAL 15 -3.856 2.890 5.017 103 2HG2 VAL 15 2HG2 VAL 15 -3.100 4.142 6.007 104 3HG2 VAL 15 3HG2 VAL 15 -4.132 4.594 4.650 105 H LYS 16 H LYS 16 -2.427 5.687 1.243 106 HA LYS 16 HA LYS 16 -5.218 6.411 1.570 107 1HB LYS 16 1HB LYS 16 -4.613 8.468 0.320 108 2HB LYS 16 2HB LYS 16 -3.630 8.217 1.755 109 1HG LYS 16 1HG LYS 16 -1.758 7.583 0.483 110 2HG LYS 16 2HG LYS 16 -2.719 7.393 -0.982 111 1HD LYS 16 1HD LYS 16 -2.469 10.047 0.399 112 2HD LYS 16 2HD LYS 16 -1.255 9.495 -0.752 113 1HE LYS 16 1HE LYS 16 -2.706 10.779 -2.045 114 2HE LYS 16 2HE LYS 16 -3.225 9.124 -2.354 115 1HZ LYS 16 1HZ LYS 16 -4.955 9.503 -0.591 116 2HZ LYS 16 2HZ LYS 16 -5.158 10.399 -2.014 117 3HZ LYS 16 3HZ LYS 16 -4.533 11.148 -0.624 118 H ILE 17 H ILE 17 -3.061 5.327 -1.013 119 HA ILE 17 HA ILE 17 -5.087 5.821 -3.023 120 HB ILE 17 HB ILE 17 -2.680 6.250 -3.453 121 1HG1 ILE 17 1HG1 ILE 17 -2.724 5.502 -5.728 122 2HG1 ILE 17 2HG1 ILE 17 -3.796 4.166 -5.324 123 1HG2 ILE 17 1HG2 ILE 17 -2.466 3.251 -3.450 124 2HG2 ILE 17 2HG2 ILE 17 -1.213 4.359 -4.006 125 3HG2 ILE 17 3HG2 ILE 17 -1.703 4.358 -2.312 126 1HD1 ILE 17 1HD1 ILE 17 -5.587 5.723 -4.839 127 2HD1 ILE 17 2HD1 ILE 17 -4.518 7.083 -5.202 128 3HD1 ILE 17 3HD1 ILE 17 -4.972 5.953 -6.479 129 H CYS 18 H CYS 18 -3.829 3.156 -1.225 130 HA CYS 18 HA CYS 18 -4.743 1.015 -2.793 131 1HB CYS 18 1HB CYS 18 -3.231 0.976 -0.724 132 2HB CYS 18 2HB CYS 18 -4.706 1.017 0.227 133 H ILE 19 H ILE 19 -6.403 3.308 -0.859 134 HA ILE 19 HA ILE 19 -8.843 1.820 -0.594 135 HB ILE 19 HB ILE 19 -8.461 4.802 -0.280 136 1HG1 ILE 19 1HG1 ILE 19 -8.275 2.640 1.832 137 2HG1 ILE 19 2HG1 ILE 19 -6.905 3.520 1.162 138 1HG2 ILE 19 1HG2 ILE 19 -10.549 2.933 0.844 139 2HG2 ILE 19 2HG2 ILE 19 -10.446 4.669 1.135 140 3HG2 ILE 19 3HG2 ILE 19 -10.792 4.065 -0.487 141 1HD1 ILE 19 1HD1 ILE 19 -7.797 5.601 2.060 142 2HD1 ILE 19 2HD1 ILE 19 -9.177 4.724 2.724 143 3HD1 ILE 19 3HD1 ILE 19 -7.554 4.400 3.330 144 H ASP 20 H ASP 20 -7.449 3.975 -2.956 145 HA ASP 20 HA ASP 20 -10.035 4.609 -4.137 146 1HB ASP 20 1HB ASP 20 -8.303 6.348 -4.030 147 2HB ASP 20 2HB ASP 20 -7.220 5.341 -4.984 148 H ARG 21 H ARG 21 -7.339 2.509 -4.597 149 HA ARG 21 HA ARG 21 -8.183 1.712 -7.250 150 1HB ARG 21 1HB ARG 21 -5.923 0.626 -5.579 151 2HB ARG 21 2HB ARG 21 -6.130 0.507 -7.317 152 1HG ARG 21 1HG ARG 21 -5.898 2.946 -7.495 153 2HG ARG 21 2HG ARG 21 -5.596 3.011 -5.752 154 1HD ARG 21 1HD ARG 21 -3.499 3.065 -6.835 155 2HD ARG 21 2HD ARG 21 -3.673 1.460 -6.130 156 HE ARG 21 HE ARG 21 -4.638 1.248 -8.707 157 1HH1 ARG 21 2HH1 ARG 21 -1.555 2.121 -7.245 158 2HH1 ARG 21 1HH1 ARG 21 -0.630 1.494 -8.574 159 1HH2 ARG 21 2HH2 ARG 21 -3.401 0.438 -10.433 160 2HH2 ARG 21 1HH2 ARG 21 -1.663 0.544 -10.369 161 H TYR 22 H TYR 22 -7.891 0.340 -3.990 162 HA TYR 22 HA TYR 22 -9.239 -2.070 -4.977 163 1HB TYR 22 1HB TYR 22 -7.498 -1.774 -2.517 164 2HB TYR 22 2HB TYR 22 -8.194 -3.272 -3.128 165 HD1 TYR 22 1HD TYR 22 -7.396 -4.195 -5.303 166 HD2 TYR 22 2HD TYR 22 -5.487 -0.897 -3.418 167 HE1 TYR 22 1HE TYR 22 -5.427 -4.528 -6.729 168 HE2 TYR 22 2HE TYR 22 -3.510 -1.219 -4.842 169 HH TYR 22 HH TYR 22 -2.459 -3.109 -6.130 170 H ASN 23 H ASN 23 -9.058 -1.832 -1.608 171 HA ASN 23 HA ASN 23 -11.495 -0.371 -1.210 172 1HB ASN 23 1HB ASN 23 -12.941 -2.169 -0.554 173 2HB ASN 23 2HB ASN 23 -12.318 -2.543 -2.157 174 1HD2 ASN 23 1HD2 ASN 23 -12.390 -3.440 1.169 175 2HD2 ASN 23 2HD2 ASN 23 -11.560 -4.948 1.003 176 H THR 24 H THR 24 -8.615 -1.129 -0.063 177 HA THR 24 HA THR 24 -9.539 -1.502 2.699 178 HB THR 24 HB THR 24 -8.387 -3.498 2.038 179 HG1 THR 24 1HG THR 24 -7.005 -3.564 3.729 180 1HG2 THR 24 1HG2 THR 24 -6.084 -1.714 1.241 181 2HG2 THR 24 2HG2 THR 24 -7.112 -2.642 0.149 182 3HG2 THR 24 3HG2 THR 24 -6.046 -3.476 1.280 183 H ARG 25 H ARG 25 -8.678 -0.335 4.298 184 HA ARG 25 HA ARG 25 -7.174 2.047 3.513 185 1HB ARG 25 1HB ARG 25 -7.832 2.768 5.903 186 2HB ARG 25 2HB ARG 25 -9.081 2.723 4.671 187 1HG ARG 25 1HG ARG 25 -9.860 1.830 6.806 188 2HG ARG 25 2HG ARG 25 -9.905 0.613 5.536 189 1HD ARG 25 1HD ARG 25 -7.922 -0.440 6.384 190 2HD ARG 25 2HD ARG 25 -7.673 0.868 7.546 191 HE ARG 25 HE ARG 25 -10.171 -0.164 8.105 192 1HH1 ARG 25 2HH1 ARG 25 -6.897 -1.411 8.012 193 2HH1 ARG 25 1HH1 ARG 25 -7.186 -2.603 9.241 194 1HH2 ARG 25 2HH2 ARG 25 -10.528 -1.673 9.767 195 2HH2 ARG 25 1HH2 ARG 25 -9.238 -2.740 10.261 196 H GLY 26 H GLY 26 -6.279 -0.877 4.344 197 1HA GLY 26 1HA GLY 26 -4.352 -0.011 6.409 198 2HA GLY 26 2HA GLY 26 -4.925 -1.661 6.212 199 H ALA 27 H ALA 27 -2.574 0.638 5.319 200 HA ALA 27 HA ALA 27 -1.185 -1.450 3.824 201 1HB ALA 27 1HB ALA 27 -1.512 1.356 2.763 202 2HB ALA 27 2HB ALA 27 -0.543 0.076 2.033 203 3HB ALA 27 3HB ALA 27 -2.297 -0.086 2.118 204 H LYS 28 H LYS 28 0.984 -1.448 4.091 205 HA LYS 28 HA LYS 28 2.214 0.782 5.542 206 1HB LYS 28 1HB LYS 28 1.589 -0.856 7.240 207 2HB LYS 28 2HB LYS 28 2.384 -2.134 6.334 208 1HG LYS 28 1HG LYS 28 4.538 -0.899 6.644 209 2HG LYS 28 2HG LYS 28 3.679 0.196 7.727 210 1HD LYS 28 1HD LYS 28 3.130 -1.633 9.207 211 2HD LYS 28 2HD LYS 28 3.860 -2.793 8.096 212 1HE LYS 28 1HE LYS 28 6.040 -1.661 8.409 213 2HE LYS 28 2HE LYS 28 5.284 -0.593 9.592 214 1HZ LYS 28 1HZ LYS 28 6.464 -2.467 10.615 215 2HZ LYS 28 2HZ LYS 28 5.426 -3.552 9.826 216 3HZ LYS 28 3HZ LYS 28 4.812 -2.480 10.982 217 H CYS 29 H CYS 29 4.316 1.158 4.981 218 HA CYS 29 HA CYS 29 5.435 -0.286 2.753 219 1HB CYS 29 1HB CYS 29 6.406 2.021 4.439 220 2HB CYS 29 2HB CYS 29 7.368 1.319 3.150 221 H ILE 30 H ILE 30 7.084 -1.789 2.834 222 HA ILE 30 HA ILE 30 7.809 -2.619 5.568 223 HB ILE 30 HB ILE 30 6.145 -4.150 4.842 224 1HG1 ILE 30 1HG1 ILE 30 7.412 -6.303 4.741 225 2HG1 ILE 30 2HG1 ILE 30 8.894 -5.373 4.545 226 1HG2 ILE 30 1HG2 ILE 30 6.303 -5.461 2.778 227 2HG2 ILE 30 2HG2 ILE 30 6.178 -3.731 2.461 228 3HG2 ILE 30 3HG2 ILE 30 7.736 -4.543 2.315 229 1HD1 ILE 30 1HD1 ILE 30 8.544 -4.346 6.724 230 2HD1 ILE 30 2HD1 ILE 30 7.046 -5.256 6.918 231 3HD1 ILE 30 3HD1 ILE 30 8.589 -6.105 6.844 232 H ASN 31 H ASN 31 8.740 -3.162 2.163 233 HA ASN 31 HA ASN 31 11.543 -2.985 3.032 234 1HB ASN 31 1HB ASN 31 10.788 -5.368 2.588 235 2HB ASN 31 2HB ASN 31 10.537 -4.899 0.909 236 1HD2 ASN 31 1HD2 ASN 31 12.867 -5.522 3.403 237 2HD2 ASN 31 2HD2 ASN 31 14.254 -5.605 2.366 238 H GLY 32 H GLY 32 10.738 -0.748 2.335 239 1HA GLY 32 1HA GLY 32 11.137 0.982 0.871 240 2HA GLY 32 2HA GLY 32 11.778 -0.178 -0.284 241 H ARG 33 H ARG 33 9.268 -1.766 -0.075 242 HA ARG 33 HA ARG 33 7.569 -0.058 -1.748 243 1HB ARG 33 1HB ARG 33 8.261 -1.866 -3.067 244 2HB ARG 33 2HB ARG 33 8.139 -3.010 -1.733 245 1HG ARG 33 1HG ARG 33 5.723 -2.922 -1.848 246 2HG ARG 33 2HG ARG 33 5.810 -1.706 -3.127 247 1HD ARG 33 1HD ARG 33 5.429 -3.753 -4.228 248 2HD ARG 33 2HD ARG 33 7.141 -3.401 -4.458 249 HE ARG 33 HE ARG 33 6.480 -5.119 -2.205 250 1HH1 ARG 33 2HH1 ARG 33 7.614 -4.867 -5.513 251 2HH1 ARG 33 1HH1 ARG 33 8.184 -6.506 -5.590 252 1HH2 ARG 33 2HH2 ARG 33 7.260 -7.277 -2.288 253 2HH2 ARG 33 1HH2 ARG 33 8.007 -7.872 -3.738 254 H CYS 34 H CYS 34 5.303 -0.113 -1.423 255 HA CYS 34 HA CYS 34 4.597 -0.711 1.347 256 1HB CYS 34 1HB CYS 34 2.563 0.693 0.816 257 2HB CYS 34 2HB CYS 34 4.105 1.533 0.739 258 H THR 35 H THR 35 2.946 -2.018 1.940 259 HA THR 35 HA THR 35 1.543 -3.514 -0.167 260 HB THR 35 HB THR 35 2.758 -4.694 2.346 261 HG1 THR 35 1HG THR 35 3.500 -5.524 -0.231 262 1HG2 THR 35 1HG2 THR 35 0.687 -5.828 1.710 263 2HG2 THR 35 2HG2 THR 35 2.085 -6.860 1.403 264 3HG2 THR 35 3HG2 THR 35 1.291 -6.028 0.064 265 H CYS 36 H CYS 36 -0.582 -4.107 0.340 266 HA CYS 36 HA CYS 36 -1.731 -2.646 2.604 267 1HB CYS 36 1HB CYS 36 -3.156 -3.989 0.299 268 2HB CYS 36 2HB CYS 36 -3.857 -2.870 1.464 269 H TYR 37 H TYR 37 -2.354 -3.654 4.361 270 HA TYR 37 HA TYR 37 -2.766 -6.572 4.283 271 1HB TYR 37 1HB TYR 37 -1.842 -4.927 6.649 272 2HB TYR 37 2HB TYR 37 -1.965 -6.679 6.569 273 HD1 TYR 37 1HD TYR 37 0.019 -3.752 5.621 274 HD2 TYR 37 2HD TYR 37 -0.291 -7.989 5.371 275 HE1 TYR 37 1HE TYR 37 2.370 -3.876 4.916 276 HE2 TYR 37 2HE TYR 37 2.061 -8.123 4.662 277 HH TYR 37 HH TYR 37 4.217 -5.542 4.938 278 HA PRO 38 HA PRO 38 -6.817 -4.773 5.581 279 1HB PRO 38 1HB PRO 38 -7.840 -7.089 4.074 280 2HB PRO 38 2HB PRO 38 -8.245 -5.376 3.907 281 1HG PRO 38 1HG PRO 38 -6.803 -6.616 2.035 282 2HG PRO 38 2HG PRO 38 -6.432 -4.943 2.521 283 1HD PRO 38 1HD PRO 38 -5.109 -7.500 3.417 284 2HD PRO 38 2HD PRO 38 -4.355 -6.002 2.821
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