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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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7062 |
1jy6 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H THR 12 H THR 12 20.912 -0.553 -26.133 2 HA THR 12 HA THR 12 18.449 -1.287 -24.810 3 HB THR 12 HB THR 12 21.198 -2.579 -25.180 4 HG1 THR 12 1HG THR 12 18.438 -3.025 -26.082 5 1HG2 THR 12 1HG2 THR 12 18.731 -3.472 -23.645 6 2HG2 THR 12 2HG2 THR 12 19.720 -4.674 -24.508 7 3HG2 THR 12 3HG2 THR 12 20.446 -3.687 -23.216 8 H ALA 13 H ALA 13 18.625 0.850 -23.523 9 HA ALA 13 HA ALA 13 19.381 0.105 -20.896 10 1HB ALA 13 1HB ALA 13 21.241 1.460 -20.508 11 2HB ALA 13 2HB ALA 13 21.574 0.849 -22.147 12 3HB ALA 13 3HB ALA 13 20.917 2.488 -21.925 13 H LEU 14 H LEU 14 19.162 2.280 -19.453 14 HA LEU 14 HA LEU 14 16.547 3.227 -20.063 15 2HB LEU 14 2HB LEU 14 17.693 2.699 -17.787 16 HG LEU 14 HG LEU 14 19.201 4.970 -18.379 17 1HD1 LEU 14 1HD1 LEU 14 17.072 5.708 -16.352 18 2HD1 LEU 14 2HD1 LEU 14 18.500 6.673 -16.794 19 3HD1 LEU 14 3HD1 LEU 14 17.220 6.378 -17.994 20 1HD2 LEU 14 1HD2 LEU 14 20.332 4.326 -16.554 21 2HD2 LEU 14 2HD2 LEU 14 18.888 4.370 -15.514 22 3HD2 LEU 14 3HD2 LEU 14 19.202 2.950 -16.540 23 H ASN 15 H ASN 15 15.884 5.383 -20.540 24 HA ASN 15 HA ASN 15 17.291 6.631 -22.462 25 2HB ASN 15 2HB ASN 15 14.961 7.204 -22.071 26 1HD2 ASN 15 1HD2 ASN 15 14.147 6.108 -20.276 27 2HD2 ASN 15 2HD2 ASN 15 13.936 6.865 -18.734 28 H THR 16 H THR 16 19.538 6.982 -21.969 29 HA THR 16 HA THR 16 20.041 8.888 -19.776 30 HB THR 16 HB THR 16 21.650 6.526 -20.862 31 HG1 THR 16 1HG THR 16 20.646 7.454 -18.261 32 1HG2 THR 16 1HG2 THR 16 22.450 8.737 -18.898 33 2HG2 THR 16 2HG2 THR 16 23.295 7.176 -19.030 34 3HG2 THR 16 3HG2 THR 16 23.288 8.303 -20.407 35 HA DPR 17 HA DPR 17 22.096 11.479 -22.538 36 1HB DPR 17 2HB DPR 17 20.504 13.686 -22.287 37 2HB DPR 17 3HB DPR 17 21.785 13.295 -21.156 38 1HG DPR 17 2HG DPR 17 18.863 13.013 -20.815 39 2HG DPR 17 3HG DPR 17 20.114 13.038 -19.589 40 1HD DPR 17 2HD DPR 17 18.721 10.731 -20.572 41 2HD DPR 17 3HD DPR 17 20.051 10.745 -19.432 42 H ALA 18 H ALA 18 21.777 10.162 -24.393 43 HA ALA 18 HA ALA 18 20.371 11.537 -26.379 44 1HB ALA 18 1HB ALA 18 20.908 9.552 -27.749 45 2HB ALA 18 2HB ALA 18 22.311 10.062 -26.779 46 3HB ALA 18 3HB ALA 18 21.347 8.652 -26.277 47 H VAL 19 H VAL 19 19.422 8.441 -27.044 48 HA VAL 19 HA VAL 19 16.850 8.751 -25.669 49 HB VAL 19 HB VAL 19 16.335 9.558 -27.776 50 1HG1 VAL 19 1HG1 VAL 19 18.299 7.521 -28.827 51 2HG1 VAL 19 2HG1 VAL 19 17.099 8.291 -29.892 52 3HG1 VAL 19 3HG1 VAL 19 18.296 9.289 -29.033 53 1HG2 VAL 19 1HG2 VAL 19 15.776 6.772 -28.604 54 2HG2 VAL 19 2HG2 VAL 19 15.217 7.211 -26.972 55 3HG2 VAL 19 3HG2 VAL 19 14.673 8.150 -28.382 56 H GLN 20 H GLN 20 16.673 7.044 -24.314 57 HA GLN 20 HA GLN 20 17.319 4.452 -25.438 58 2HB GLN 20 2HB GLN 20 18.073 4.307 -22.702 59 2HG GLN 20 2HG GLN 20 20.231 3.694 -23.593 60 1HE2 GLN 20 1HE2 GLN 20 20.401 2.783 -26.306 61 2HE2 GLN 20 2HE2 GLN 20 19.254 1.503 -26.525 62 H LYS 21 H LYS 21 16.601 2.717 -23.529 63 HA LYS 21 HA LYS 21 14.256 3.645 -22.136 64 2HB LYS 21 2HB LYS 21 12.877 1.778 -23.271 65 2HG LYS 21 2HG LYS 21 13.042 4.502 -23.680 66 2HD LYS 21 2HD LYS 21 13.171 3.223 -26.445 67 2HE LYS 21 2HE LYS 21 12.022 5.267 -26.672 68 1HZ LYS 21 1HZ LYS 21 13.757 6.285 -24.490 69 2HZ LYS 21 2HZ LYS 21 12.776 7.253 -25.357 70 H TRP 22 H TRP 22 14.132 2.596 -20.214 71 HA TRP 22 HA TRP 22 16.053 0.532 -19.701 72 2HB TRP 22 2HB TRP 22 14.080 2.096 -18.082 73 HD1 TRP 22 HD TRP 22 12.878 0.793 -16.171 74 HE1 TRP 22 1HE TRP 22 13.362 -1.216 -14.529 75 HE3 TRP 22 3HE TRP 22 17.456 -0.342 -18.069 76 HZ2 TRP 22 2HZ TRP 22 15.556 -3.014 -14.217 77 HZ3 TRP 22 3HZ TRP 22 18.704 -2.238 -17.038 78 HH2 TRP 22 HH TRP 22 17.824 -3.555 -15.176 79 H HIS 23 H HIS 23 15.677 -1.670 -19.672 80 HA HIS 23 HA HIS 23 12.890 -2.475 -20.084 81 2HB HIS 23 2HB HIS 23 15.276 -4.060 -21.024 82 HD1 HIS 23 1HD HIS 23 12.811 -3.390 -23.587 83 HD2 HIS 23 2HD HIS 23 13.137 -6.094 -20.398 84 HE1 HIS 23 1HE HIS 23 11.160 -5.273 -24.075 85 H PHE 24 H PHE 24 12.016 -3.611 -18.430 86 HA PHE 24 HA PHE 24 13.803 -5.322 -16.885 87 2HB PHE 24 2HB PHE 24 11.774 -3.266 -15.821 88 HD1 PHE 24 1HD PHE 24 11.165 -3.328 -13.569 89 HD2 PHE 24 2HD PHE 24 14.348 -5.792 -14.913 90 HE1 PHE 24 1HE PHE 24 11.224 -4.471 -11.335 91 HE2 PHE 24 2HE PHE 24 14.406 -6.935 -12.679 92 HZ PHE 24 HZ PHE 24 12.843 -6.260 -10.917 93 H VAL 25 H VAL 25 12.936 -7.334 -16.713 94 HA VAL 25 HA VAL 25 10.042 -7.558 -16.503 95 HB VAL 25 HB VAL 25 11.680 -9.066 -18.551 96 1HG1 VAL 25 1HG1 VAL 25 9.938 -10.446 -18.833 97 2HG1 VAL 25 2HG1 VAL 25 9.308 -9.805 -17.296 98 3HG1 VAL 25 3HG1 VAL 25 8.773 -9.099 -18.840 99 1HG2 VAL 25 1HG2 VAL 25 9.685 -6.805 -18.913 100 2HG2 VAL 25 2HG2 VAL 25 11.431 -6.756 -19.255 101 3HG2 VAL 25 3HG2 VAL 25 10.361 -7.793 -20.229 102 H LEU 26 H LEU 26 9.708 -8.693 -14.669 103 HA LEU 26 HA LEU 26 11.318 -11.073 -14.248 104 2HB LEU 26 2HB LEU 26 12.497 -9.220 -13.108 105 HG LEU 26 HG LEU 26 11.714 -8.179 -11.154 106 1HD1 LEU 26 1HD1 LEU 26 10.813 -7.341 -13.421 107 2HD1 LEU 26 2HD1 LEU 26 9.247 -7.982 -12.869 108 3HD1 LEU 26 3HD1 LEU 26 10.073 -6.718 -11.926 109 1HD2 LEU 26 1HD2 LEU 26 8.983 -9.318 -11.109 110 2HD2 LEU 26 2HD2 LEU 26 10.299 -10.427 -10.654 111 3HD2 LEU 26 3HD2 LEU 26 10.082 -8.894 -9.775 112 HA DPR 27 HA DPR 27 7.728 -12.246 -11.896 113 1HB DPR 27 2HB DPR 27 7.999 -14.943 -12.246 114 2HB DPR 27 3HB DPR 27 8.696 -14.077 -10.891 115 1HG DPR 27 2HG DPR 27 10.042 -15.157 -13.291 116 2HG DPR 27 3HG DPR 27 10.746 -14.681 -11.759 117 1HD DPR 27 2HD DPR 27 10.815 -13.199 -14.214 118 2HD DPR 27 3HD DPR 27 11.417 -12.672 -12.655 119 H GLY 28 H GLY 28 5.924 -11.608 -12.900 120 1HA GLY 28 1HA GLY 28 5.459 -12.853 -15.535 121 2HA GLY 28 2HA GLY 28 4.231 -12.909 -14.286 122 H TYR 29 H TYR 29 6.349 -10.090 -14.379 123 HA TYR 29 HA TYR 29 4.135 -8.553 -15.562 124 2HB TYR 29 2HB TYR 29 5.589 -6.772 -14.060 125 HD1 TYR 29 1HD TYR 29 4.085 -5.603 -12.731 126 HD2 TYR 29 2HD TYR 29 3.630 -9.839 -13.129 127 HE1 TYR 29 1HE TYR 29 1.941 -5.509 -11.367 128 HE2 TYR 29 2HE TYR 29 1.489 -9.730 -11.763 129 HH TYR 29 HH TYR 29 -0.298 -7.728 -11.375 130 H LYS 30 H LYS 30 4.596 -7.192 -17.259 131 HA LYS 30 HA LYS 30 7.444 -6.918 -17.931 132 2HB LYS 30 2HB LYS 30 6.345 -8.522 -19.427 133 2HG LYS 30 2HG LYS 30 4.638 -6.234 -20.460 134 2HD LYS 30 2HD LYS 30 5.150 -8.978 -21.209 135 2HE LYS 30 2HE LYS 30 2.203 -8.676 -21.129 136 1HZ LYS 30 1HZ LYS 30 2.958 -11.062 -20.069 137 2HZ LYS 30 2HZ LYS 30 2.689 -10.806 -21.656 138 H CYS 31 H CYS 31 7.923 -4.870 -17.265 139 HA CYS 31 HA CYS 31 6.098 -2.788 -18.225 140 2HB CYS 31 2HB CYS 31 7.791 -2.341 -15.802 141 H GLU 32 H GLU 32 7.105 -1.084 -19.350 142 HA GLU 32 HA GLU 32 9.995 -1.005 -19.265 143 2HB GLU 32 2HB GLU 32 8.552 -0.972 -21.938 144 2HG GLU 32 2HG GLU 32 11.344 -1.976 -21.572 145 HE2 GLU 32 HE GLU 32 9.123 -0.630 -24.333 146 H ILE 33 H ILE 33 10.819 1.092 -19.427 147 HA ILE 33 HA ILE 33 8.784 3.176 -19.589 148 HB ILE 33 HB ILE 33 11.583 3.087 -18.477 149 2HG1 ILE 33 2HG1 ILE 33 9.787 2.067 -17.117 150 1HG2 ILE 33 1HG2 ILE 33 11.010 5.470 -17.712 151 2HG2 ILE 33 2HG2 ILE 33 11.518 5.233 -19.402 152 3HG2 ILE 33 3HG2 ILE 33 9.795 5.455 -19.014 153 1HD1 ILE 33 1HD1 ILE 33 10.886 2.845 -15.298 154 2HD1 ILE 33 2HD1 ILE 33 11.649 4.070 -16.339 155 3HD1 ILE 33 3HD1 ILE 33 10.133 4.448 -15.484 156 H LEU 34 H LEU 34 9.219 5.137 -20.866 157 HA LEU 34 HA LEU 34 11.206 4.784 -22.961 158 2HB LEU 34 2HB LEU 34 8.292 5.293 -23.568 159 HG LEU 34 HG LEU 34 10.703 5.482 -25.198 160 1HD1 LEU 34 1HD1 LEU 34 10.282 4.051 -26.943 161 2HD1 LEU 34 2HD1 LEU 34 9.773 3.049 -25.563 162 3HD1 LEU 34 3HD1 LEU 34 8.553 3.893 -26.548 163 1HD2 LEU 34 1HD2 LEU 34 7.887 6.398 -25.213 164 2HD2 LEU 34 2HD2 LEU 34 9.392 7.279 -25.565 165 3HD2 LEU 34 3HD2 LEU 34 8.666 6.228 -26.805 166 H ALA 35 H ALA 35 12.199 6.692 -23.480 167 HA ALA 35 HA ALA 35 10.983 9.100 -22.310 168 1HB ALA 35 1HB ALA 35 13.924 8.835 -22.903 169 2HB ALA 35 2HB ALA 35 13.101 9.822 -21.671 170 3HB ALA 35 3HB ALA 35 13.255 8.062 -21.446 171 H THR 12 H THR 12 -9.004 0.031 -21.862 172 HA THR 12 HA THR 12 -11.145 -0.372 -19.877 173 HB THR 12 HB THR 12 -12.279 -1.697 -21.704 174 HG1 THR 12 1HG THR 12 -10.416 -2.199 -22.977 175 1HG2 THR 12 1HG2 THR 12 -11.466 1.133 -22.555 176 2HG2 THR 12 2HG2 THR 12 -12.821 0.203 -23.239 177 3HG2 THR 12 3HG2 THR 12 -12.869 0.729 -21.538 178 H ALA 13 H ALA 13 -11.315 -2.390 -18.891 179 HA ALA 13 HA ALA 13 -8.979 -4.114 -19.369 180 1HB ALA 13 1HB ALA 13 -10.511 -3.596 -16.787 181 2HB ALA 13 2HB ALA 13 -9.111 -4.679 -16.974 182 3HB ALA 13 3HB ALA 13 -8.915 -2.925 -17.199 183 H LEU 14 H LEU 14 -9.343 -6.308 -19.677 184 HA LEU 14 HA LEU 14 -12.171 -7.105 -19.621 185 2HB LEU 14 2HB LEU 14 -11.101 -8.796 -21.419 186 HG LEU 14 HG LEU 14 -13.070 -7.163 -21.718 187 1HD1 LEU 14 1HD1 LEU 14 -12.725 -5.111 -22.827 188 2HD1 LEU 14 2HD1 LEU 14 -11.554 -5.133 -21.486 189 3HD1 LEU 14 3HD1 LEU 14 -11.012 -5.475 -23.146 190 1HD2 LEU 14 1HD2 LEU 14 -13.256 -7.830 -23.879 191 2HD2 LEU 14 2HD2 LEU 14 -11.588 -7.364 -24.291 192 3HD2 LEU 14 3HD2 LEU 14 -11.897 -8.873 -23.399 193 H ASN 15 H ASN 15 -12.610 -8.581 -18.083 194 HA ASN 15 HA ASN 15 -10.362 -10.226 -17.225 195 2HB ASN 15 2HB ASN 15 -12.925 -9.602 -15.669 196 1HD2 ASN 15 1HD2 ASN 15 -12.916 -10.288 -13.573 197 2HD2 ASN 15 2HD2 ASN 15 -11.784 -11.428 -12.927 198 H THR 16 H THR 16 -10.712 -11.995 -18.704 199 HA THR 16 HA THR 16 -13.336 -13.313 -18.452 200 HB THR 16 HB THR 16 -11.374 -13.039 -20.780 201 HG1 THR 16 1HG THR 16 -13.023 -11.380 -20.396 202 1HG2 THR 16 1HG2 THR 16 -12.546 -14.666 -22.000 203 2HG2 THR 16 2HG2 THR 16 -12.596 -15.409 -20.384 204 3HG2 THR 16 3HG2 THR 16 -14.006 -14.508 -20.994 205 HA DPR 17 HA DPR 17 -11.312 -17.061 -17.578 206 1HB DPR 17 2HB DPR 17 -12.964 -17.852 -15.550 207 2HB DPR 17 3HB DPR 17 -13.300 -18.174 -17.239 208 1HG DPR 17 2HG DPR 17 -14.547 -16.179 -15.448 209 2HG DPR 17 3HG DPR 17 -15.137 -16.804 -16.976 210 1HD DPR 17 2HD DPR 17 -13.918 -14.248 -16.524 211 2HD DPR 17 3HD DPR 17 -14.401 -14.920 -18.069 212 H ALA 18 H ALA 18 -9.476 -17.446 -16.506 213 HA ALA 18 HA ALA 18 -9.268 -15.991 -13.958 214 1HB ALA 18 1HB ALA 18 -9.272 -18.666 -14.203 215 2HB ALA 18 2HB ALA 18 -7.552 -18.371 -14.552 216 3HB ALA 18 3HB ALA 18 -8.253 -17.825 -13.010 217 H VAL 19 H VAL 19 -8.713 -15.100 -16.805 218 HA VAL 19 HA VAL 19 -5.825 -14.655 -16.482 219 HB VAL 19 HB VAL 19 -7.301 -14.427 -19.085 220 1HG1 VAL 19 1HG1 VAL 19 -4.508 -14.401 -18.155 221 2HG1 VAL 19 2HG1 VAL 19 -4.793 -15.442 -19.571 222 3HG1 VAL 19 3HG1 VAL 19 -5.236 -13.719 -19.629 223 1HG2 VAL 19 1HG2 VAL 19 -6.146 -16.894 -19.268 224 2HG2 VAL 19 2HG2 VAL 19 -6.717 -16.903 -17.582 225 3HG2 VAL 19 3HG2 VAL 19 -7.865 -16.605 -18.908 226 H GLN 20 H GLN 20 -5.045 -12.497 -17.154 227 HA GLN 20 HA GLN 20 -7.182 -10.524 -16.958 228 2HB GLN 20 2HB GLN 20 -5.126 -9.152 -15.859 229 2HG GLN 20 2HG GLN 20 -6.022 -10.531 -13.630 230 1HE2 GLN 20 1HE2 GLN 20 -6.309 -8.833 -12.424 231 2HE2 GLN 20 2HE2 GLN 20 -7.144 -7.371 -12.835 232 H LYS 21 H LYS 21 -7.239 -9.096 -18.648 233 HA LYS 21 HA LYS 21 -4.740 -8.704 -20.131 234 2HB LYS 21 2HB LYS 21 -6.629 -8.517 -22.093 235 2HG LYS 21 2HG LYS 21 -5.511 -11.240 -21.438 236 2HD LYS 21 2HD LYS 21 -4.638 -10.249 -23.949 237 2HE LYS 21 2HE LYS 21 -6.577 -12.272 -22.907 238 1HZ LYS 21 1HZ LYS 21 -6.615 -11.478 -25.768 239 2HZ LYS 21 2HZ LYS 21 -7.495 -12.664 -25.081 240 H TRP 22 H TRP 22 -4.636 -6.808 -18.645 241 HA TRP 22 HA TRP 22 -6.377 -4.667 -19.665 242 2HB TRP 22 2HB TRP 22 -6.590 -5.586 -17.170 243 HD1 TRP 22 HD TRP 22 -3.523 -5.813 -16.796 244 HE1 TRP 22 1HE TRP 22 -2.127 -4.484 -14.993 245 HE3 TRP 22 3HE TRP 22 -6.907 -2.071 -16.170 246 HZ2 TRP 22 2HZ TRP 22 -2.584 -2.070 -13.541 247 HZ3 TRP 22 3HZ TRP 22 -6.355 -0.267 -14.542 248 HH2 TRP 22 HH TRP 22 -4.280 -0.226 -13.251 249 H HIS 23 H HIS 23 -5.300 -2.585 -19.901 250 HA HIS 23 HA HIS 23 -2.382 -2.799 -19.794 251 2HB HIS 23 2HB HIS 23 -3.033 -3.039 -22.098 252 HD1 HIS 23 1HD HIS 23 -5.828 -2.905 -22.022 253 HD2 HIS 23 2HD HIS 23 -3.705 0.605 -22.896 254 HE1 HIS 23 1HE HIS 23 -7.490 -1.325 -23.142 255 H PHE 24 H PHE 24 -1.396 -1.193 -18.651 256 HA PHE 24 HA PHE 24 -3.097 1.086 -17.930 257 2HB PHE 24 2HB PHE 24 -0.567 -0.008 -16.573 258 HD1 PHE 24 1HD PHE 24 -3.794 1.803 -16.129 259 HD2 PHE 24 2HD PHE 24 0.120 1.095 -14.651 260 HE1 PHE 24 1HE PHE 24 -4.111 3.613 -14.419 261 HE2 PHE 24 2HE PHE 24 -0.197 2.905 -12.942 262 HZ PHE 24 HZ PHE 24 -2.310 4.142 -12.846 263 H VAL 25 H VAL 25 -2.616 2.786 -19.262 264 HA VAL 25 HA VAL 25 0.234 3.432 -19.524 265 HB VAL 25 HB VAL 25 -0.169 4.152 -21.811 266 1HG1 VAL 25 1HG1 VAL 25 -0.623 1.331 -20.964 267 2HG1 VAL 25 2HG1 VAL 25 -0.939 1.726 -22.670 268 3HG1 VAL 25 3HG1 VAL 25 0.666 2.037 -21.966 269 1HG2 VAL 25 1HG2 VAL 25 -3.001 3.396 -21.167 270 2HG2 VAL 25 2HG2 VAL 25 -2.368 4.810 -22.044 271 3HG2 VAL 25 3HG2 VAL 25 -2.411 3.217 -22.836 272 H LEU 26 H LEU 26 0.343 5.087 -18.040 273 HA LEU 26 HA LEU 26 -1.189 7.448 -18.711 274 2HB LEU 26 2HB LEU 26 -2.459 5.977 -17.004 275 HG LEU 26 HG LEU 26 -2.022 6.368 -14.694 276 1HD1 LEU 26 1HD1 LEU 26 -0.739 4.532 -16.016 277 2HD1 LEU 26 2HD1 LEU 26 0.693 5.534 -15.674 278 3HD1 LEU 26 3HD1 LEU 26 -0.281 4.887 -14.332 279 1HD2 LEU 26 1HD2 LEU 26 -0.701 8.634 -15.481 280 2HD2 LEU 26 2HD2 LEU 26 -0.711 7.964 -13.832 281 3HD2 LEU 26 3HD2 LEU 26 0.636 7.594 -14.935 282 HA DPR 27 HA DPR 27 2.180 9.262 -16.351 283 1HB DPR 27 2HB DPR 27 1.875 11.827 -17.243 284 2HB DPR 27 3HB DPR 27 1.140 11.231 -15.767 285 1HG DPR 27 2HG DPR 27 -0.129 11.776 -18.382 286 2HG DPR 27 3HG DPR 27 -0.884 11.597 -16.810 287 1HD DPR 27 2HD DPR 27 -0.830 9.654 -18.919 288 2HD DPR 27 3HD DPR 27 -1.483 9.433 -17.309 289 H GLY 28 H GLY 28 2.930 7.602 -18.145 290 1HA GLY 28 1HA GLY 28 3.787 8.575 -20.598 291 2HA GLY 28 2HA GLY 28 5.064 8.936 -19.453 292 H TYR 29 H TYR 29 4.570 6.635 -17.668 293 HA TYR 29 HA TYR 29 6.019 4.682 -19.203 294 2HB TYR 29 2HB TYR 29 6.026 3.585 -16.906 295 HD1 TYR 29 1HD TYR 29 6.157 5.604 -14.535 296 HD2 TYR 29 2HD TYR 29 7.668 5.691 -18.536 297 HE1 TYR 29 1HE TYR 29 8.020 7.172 -13.805 298 HE2 TYR 29 2HE TYR 29 9.526 7.259 -17.793 299 HH TYR 29 HH TYR 29 10.104 8.703 -16.138 300 H LYS 30 H LYS 30 5.330 2.640 -19.850 301 HA LYS 30 HA LYS 30 2.439 2.211 -19.595 302 2HB LYS 30 2HB LYS 30 3.252 2.563 -21.891 303 2HG LYS 30 2HG LYS 30 4.920 0.078 -21.283 304 2HD LYS 30 2HD LYS 30 4.119 1.407 -23.895 305 2HE LYS 30 2HE LYS 30 6.153 -0.605 -24.286 306 1HZ LYS 30 1HZ LYS 30 6.713 2.216 -24.759 307 2HZ LYS 30 2HZ LYS 30 6.856 0.956 -25.781 308 H CYS 31 H CYS 31 1.715 0.497 -18.433 309 HA CYS 31 HA CYS 31 3.657 -1.620 -17.888 310 2HB CYS 31 2HB CYS 31 1.807 -1.123 -15.681 311 H GLU 32 H GLU 32 2.801 -3.508 -18.684 312 HA GLU 32 HA GLU 32 -0.082 -3.820 -18.449 313 2HB GLU 32 2HB GLU 32 0.138 -5.113 -20.718 314 2HG GLU 32 2HG GLU 32 -0.404 -2.370 -20.062 315 HE2 GLU 32 HE GLU 32 -0.276 -2.371 -23.434 316 H ILE 33 H ILE 33 -0.692 -5.760 -17.544 317 HA ILE 33 HA ILE 33 1.394 -7.826 -17.408 318 HB ILE 33 HB ILE 33 -0.561 -6.910 -15.304 319 2HG1 ILE 33 2HG1 ILE 33 2.322 -6.560 -15.796 320 1HG2 ILE 33 1HG2 ILE 33 -0.594 -9.340 -15.343 321 2HG2 ILE 33 2HG2 ILE 33 1.185 -9.387 -15.297 322 3HG2 ILE 33 3HG2 ILE 33 0.275 -8.751 -13.905 323 1HD1 ILE 33 1HD1 ILE 33 1.892 -4.489 -14.896 324 2HD1 ILE 33 2HD1 ILE 33 0.206 -4.918 -15.272 325 3HD1 ILE 33 3HD1 ILE 33 0.837 -5.148 -13.623 326 H LEU 34 H LEU 34 0.865 -9.598 -18.556 327 HA LEU 34 HA LEU 34 -2.004 -10.178 -18.819 328 2HB LEU 34 2HB LEU 34 -1.167 -11.338 -20.987 329 HG LEU 34 HG LEU 34 -2.427 -8.974 -20.664 330 1HD1 LEU 34 1HD1 LEU 34 0.066 -8.197 -22.190 331 2HD1 LEU 34 2HD1 LEU 34 -1.303 -7.164 -21.712 332 3HD1 LEU 34 3HD1 LEU 34 -0.199 -7.810 -20.474 333 1HD2 LEU 34 1HD2 LEU 34 -2.446 -10.765 -22.551 334 2HD2 LEU 34 2HD2 LEU 34 -2.981 -9.105 -22.906 335 3HD2 LEU 34 3HD2 LEU 34 -1.353 -9.638 -23.391 336 H ALA 35 H ALA 35 -1.414 -11.232 -16.624 337 HA ALA 35 HA ALA 35 -0.546 -13.970 -17.226 338 1HB ALA 35 1HB ALA 35 0.110 -12.479 -14.661 339 2HB ALA 35 2HB ALA 35 0.740 -14.051 -15.208 340 3HB ALA 35 3HB ALA 35 1.223 -12.558 -16.048 Start of MODEL 2 1 H THR 12 H THR 12 17.538 -4.095 -25.413 2 HA THR 12 HA THR 12 19.427 -2.026 -25.548 3 HB THR 12 HB THR 12 17.897 -0.087 -25.767 4 HG1 THR 12 1HG THR 12 15.971 -2.240 -26.292 5 1HG2 THR 12 1HG2 THR 12 16.724 -0.983 -28.097 6 2HG2 THR 12 2HG2 THR 12 18.407 -0.412 -28.002 7 3HG2 THR 12 3HG2 THR 12 18.054 -2.154 -27.924 8 H ALA 13 H ALA 13 20.072 -1.774 -23.508 9 HA ALA 13 HA ALA 13 18.014 -1.884 -21.432 10 1HB ALA 13 1HB ALA 13 20.442 -3.643 -21.746 11 2HB ALA 13 2HB ALA 13 19.876 -3.207 -20.116 12 3HB ALA 13 3HB ALA 13 18.793 -4.072 -21.232 13 H LEU 14 H LEU 14 18.508 0.529 -21.975 14 HA LEU 14 HA LEU 14 20.268 1.449 -19.922 15 2HB LEU 14 2HB LEU 14 21.186 2.935 -22.115 16 HG LEU 14 HG LEU 14 22.348 1.209 -20.072 17 1HD1 LEU 14 1HD1 LEU 14 23.611 1.199 -22.821 18 2HD1 LEU 14 2HD1 LEU 14 24.480 0.791 -21.322 19 3HD1 LEU 14 3HD1 LEU 14 23.098 -0.199 -21.847 20 1HD2 LEU 14 1HD2 LEU 14 22.904 3.358 -19.669 21 2HD2 LEU 14 2HD2 LEU 14 24.282 2.969 -20.727 22 3HD2 LEU 14 3HD2 LEU 14 22.861 3.812 -21.391 23 H ASN 15 H ASN 15 19.143 3.045 -18.957 24 HA ASN 15 HA ASN 15 17.515 4.703 -20.713 25 2HB ASN 15 2HB ASN 15 15.859 3.397 -19.602 26 1HD2 ASN 15 1HD2 ASN 15 15.515 4.209 -16.642 27 2HD2 ASN 15 2HD2 ASN 15 16.351 2.978 -15.757 28 H THR 16 H THR 16 19.820 5.832 -20.369 29 HA THR 16 HA THR 16 19.863 7.260 -17.803 30 HB THR 16 HB THR 16 21.934 6.531 -19.915 31 HG1 THR 16 1HG THR 16 21.542 5.080 -18.127 32 1HG2 THR 16 1HG2 THR 16 22.686 8.132 -17.475 33 2HG2 THR 16 2HG2 THR 16 23.490 8.048 -19.061 34 3HG2 THR 16 3HG2 THR 16 22.021 9.034 -18.860 35 HA DPR 17 HA DPR 17 19.833 11.116 -19.992 36 1HB DPR 17 2HB DPR 17 19.159 12.676 -17.852 37 2HB DPR 17 3HB DPR 17 20.817 12.356 -18.320 38 1HG DPR 17 2HG DPR 17 19.278 11.229 -16.060 39 2HG DPR 17 3HG DPR 17 21.014 11.262 -16.299 40 1HD DPR 17 2HD DPR 17 19.274 9.012 -16.665 41 2HD DPR 17 3HD DPR 17 20.991 9.077 -17.013 42 H ALA 18 H ALA 18 18.181 10.941 -21.404 43 HA ALA 18 HA ALA 18 15.537 10.704 -20.227 44 1HB ALA 18 1HB ALA 18 16.520 13.079 -21.840 45 2HB ALA 18 2HB ALA 18 14.795 12.651 -21.732 46 3HB ALA 18 3HB ALA 18 15.701 13.077 -20.259 47 H VAL 19 H VAL 19 17.534 11.152 -23.221 48 HA VAL 19 HA VAL 19 15.622 9.665 -24.769 49 HB VAL 19 HB VAL 19 16.918 11.609 -25.611 50 1HG1 VAL 19 1HG1 VAL 19 19.334 9.978 -26.126 51 2HG1 VAL 19 2HG1 VAL 19 19.175 11.701 -25.707 52 3HG1 VAL 19 3HG1 VAL 19 19.090 10.464 -24.431 53 1HG2 VAL 19 1HG2 VAL 19 17.879 9.981 -27.646 54 2HG2 VAL 19 2HG2 VAL 19 16.584 9.007 -26.907 55 3HG2 VAL 19 3HG2 VAL 19 16.232 10.643 -27.513 56 H GLN 20 H GLN 20 16.032 7.953 -22.817 57 HA GLN 20 HA GLN 20 17.562 5.911 -24.113 58 2HB GLN 20 2HB GLN 20 18.836 5.338 -22.018 59 2HG GLN 20 2HG GLN 20 20.455 7.267 -22.167 60 1HE2 GLN 20 1HE2 GLN 20 21.580 7.863 -24.299 61 2HE2 GLN 20 2HE2 GLN 20 21.611 6.641 -25.525 62 H LYS 21 H LYS 21 16.437 4.004 -23.969 63 HA LYS 21 HA LYS 21 14.462 3.829 -21.799 64 2HB LYS 21 2HB LYS 21 12.974 2.678 -23.309 65 2HG LYS 21 2HG LYS 21 14.090 5.356 -24.037 66 2HD LYS 21 2HD LYS 21 11.968 4.135 -25.825 67 2HE LYS 21 2HE LYS 21 13.985 6.211 -26.656 68 1HZ LYS 21 1HZ LYS 21 11.441 6.912 -27.348 69 2HZ LYS 21 2HZ LYS 21 12.480 6.119 -28.317 70 H TRP 22 H TRP 22 14.215 1.800 -20.761 71 HA TRP 22 HA TRP 22 16.154 -0.245 -21.555 72 2HB TRP 22 2HB TRP 22 16.974 1.308 -19.666 73 HD1 TRP 22 HD TRP 22 13.758 1.317 -18.789 74 HE1 TRP 22 1HE TRP 22 13.090 1.097 -16.246 75 HE3 TRP 22 3HE TRP 22 18.144 -0.761 -17.273 76 HZ2 TRP 22 2HZ TRP 22 14.440 0.102 -13.937 77 HZ3 TRP 22 3HZ TRP 22 18.387 -1.327 -14.858 78 HH2 TRP 22 HH TRP 22 16.625 -0.928 -13.212 79 H HIS 23 H HIS 23 15.561 -2.395 -20.475 80 HA HIS 23 HA HIS 23 12.645 -2.523 -20.293 81 2HB HIS 23 2HB HIS 23 14.046 -3.782 -22.096 82 HD1 HIS 23 1HD HIS 23 16.403 -4.738 -21.718 83 HD2 HIS 23 2HD HIS 23 13.445 -6.602 -19.400 84 HE1 HIS 23 1HE HIS 23 17.492 -6.808 -20.699 85 H PHE 24 H PHE 24 11.663 -3.243 -18.434 86 HA PHE 24 HA PHE 24 13.412 -4.437 -16.414 87 2HB PHE 24 2HB PHE 24 11.303 -2.215 -16.111 88 HD1 PHE 24 1HD PHE 24 14.239 -3.504 -14.190 89 HD2 PHE 24 2HD PHE 24 10.137 -2.420 -14.134 90 HE1 PHE 24 1HE PHE 24 14.160 -3.931 -11.719 91 HE2 PHE 24 2HE PHE 24 10.059 -2.846 -11.662 92 HZ PHE 24 HZ PHE 24 12.070 -3.597 -10.484 93 H VAL 25 H VAL 25 12.545 -6.523 -16.727 94 HA VAL 25 HA VAL 25 9.653 -6.728 -16.254 95 HB VAL 25 HB VAL 25 9.755 -8.837 -17.429 96 1HG1 VAL 25 1HG1 VAL 25 9.261 -7.215 -18.982 97 2HG1 VAL 25 2HG1 VAL 25 10.809 -6.365 -18.755 98 3HG1 VAL 25 3HG1 VAL 25 10.753 -7.878 -19.690 99 1HG2 VAL 25 1HG2 VAL 25 12.636 -8.526 -17.022 100 2HG2 VAL 25 2HG2 VAL 25 11.676 -9.988 -17.355 101 3HG2 VAL 25 3HG2 VAL 25 12.221 -8.955 -18.699 102 H LEU 26 H LEU 26 9.312 -7.050 -14.105 103 HA LEU 26 HA LEU 26 11.188 -8.838 -12.733 104 2HB LEU 26 2HB LEU 26 9.616 -7.630 -10.811 105 HG LEU 26 HG LEU 26 11.623 -5.911 -10.727 106 1HD1 LEU 26 1HD1 LEU 26 12.702 -7.319 -9.223 107 2HD1 LEU 26 2HD1 LEU 26 11.032 -7.934 -9.236 108 3HD1 LEU 26 3HD1 LEU 26 12.301 -8.786 -10.148 109 1HD2 LEU 26 1HD2 LEU 26 13.229 -8.032 -12.016 110 2HD2 LEU 26 2HD2 LEU 26 12.254 -7.027 -13.117 111 3HD2 LEU 26 3HD2 LEU 26 13.431 -6.263 -12.019 112 HA DPR 27 HA DPR 27 7.794 -11.362 -11.476 113 1HB DPR 27 2HB DPR 27 9.183 -13.714 -11.383 114 2HB DPR 27 3HB DPR 27 9.054 -12.622 -10.018 115 1HG DPR 27 2HG DPR 27 11.358 -13.082 -11.812 116 2HG DPR 27 3HG DPR 27 11.334 -12.341 -10.224 117 1HD DPR 27 2HD DPR 27 11.543 -10.990 -12.747 118 2HD DPR 27 3HD DPR 27 11.403 -10.244 -11.167 119 H GLY 28 H GLY 28 6.389 -11.253 -13.164 120 1HA GLY 28 1HA GLY 28 7.212 -12.673 -15.592 121 2HA GLY 28 2HA GLY 28 5.804 -13.264 -14.730 122 H TYR 29 H TYR 29 6.795 -9.813 -14.897 123 HA TYR 29 HA TYR 29 4.405 -9.328 -16.547 124 2HB TYR 29 2HB TYR 29 4.382 -7.137 -15.208 125 HD1 TYR 29 1HD TYR 29 2.792 -9.716 -15.302 126 HD2 TYR 29 2HD TYR 29 4.915 -7.812 -12.114 127 HE1 TYR 29 1HE TYR 29 1.254 -10.823 -13.608 128 HE2 TYR 29 2HE TYR 29 3.370 -8.925 -10.430 129 HH TYR 29 HH TYR 29 0.829 -9.825 -10.640 130 H LYS 30 H LYS 30 4.511 -7.394 -17.940 131 HA LYS 30 HA LYS 30 7.291 -6.846 -18.714 132 2HB LYS 30 2HB LYS 30 5.969 -6.204 -20.937 133 2HG LYS 30 2HG LYS 30 7.579 -8.325 -20.090 134 2HD LYS 30 2HD LYS 30 4.900 -9.334 -21.106 135 2HE LYS 30 2HE LYS 30 6.084 -11.539 -21.501 136 1HZ LYS 30 1HZ LYS 30 5.820 -9.473 -23.220 137 2HZ LYS 30 2HZ LYS 30 7.415 -9.768 -23.356 138 H CYS 31 H CYS 31 7.841 -4.987 -17.652 139 HA CYS 31 HA CYS 31 5.939 -2.776 -17.943 140 2HB CYS 31 2HB CYS 31 7.978 -2.747 -15.769 141 H GLU 32 H GLU 32 6.769 -1.760 -19.785 142 HA GLU 32 HA GLU 32 9.642 -1.267 -19.748 143 2HB GLU 32 2HB GLU 32 7.934 -0.921 -22.217 144 2HG GLU 32 2HG GLU 32 10.516 -2.285 -22.446 145 HE2 GLU 32 HE GLU 32 11.731 -0.432 -24.224 146 H ILE 33 H ILE 33 10.253 0.784 -19.224 147 HA ILE 33 HA ILE 33 8.231 2.880 -19.521 148 HB ILE 33 HB ILE 33 10.716 2.744 -17.810 149 2HG1 ILE 33 2HG1 ILE 33 8.715 1.254 -17.223 150 1HG2 ILE 33 1HG2 ILE 33 8.678 4.922 -18.251 151 2HG2 ILE 33 2HG2 ILE 33 9.615 4.801 -16.742 152 3HG2 ILE 33 3HG2 ILE 33 10.455 5.016 -18.296 153 1HD1 ILE 33 1HD1 ILE 33 10.504 1.996 -15.603 154 2HD1 ILE 33 2HD1 ILE 33 9.498 3.410 -15.208 155 3HD1 ILE 33 3HD1 ILE 33 8.910 1.770 -14.842 156 H LEU 34 H LEU 34 8.640 4.755 -20.710 157 HA LEU 34 HA LEU 34 11.243 4.896 -22.026 158 2HB LEU 34 2HB LEU 34 9.354 3.710 -23.382 159 HG LEU 34 HG LEU 34 8.624 6.620 -23.686 160 1HD1 LEU 34 1HD1 LEU 34 8.063 6.454 -25.861 161 2HD1 LEU 34 2HD1 LEU 34 9.314 5.189 -25.874 162 3HD1 LEU 34 3HD1 LEU 34 7.598 4.741 -25.728 163 1HD2 LEU 34 1HD2 LEU 34 6.320 5.287 -23.926 164 2HD2 LEU 34 2HD2 LEU 34 7.226 4.093 -22.965 165 3HD2 LEU 34 3HD2 LEU 34 7.008 5.750 -22.350 166 H ALA 35 H ALA 35 11.650 7.089 -22.967 167 HA ALA 35 HA ALA 35 10.214 9.094 -21.370 168 1HB ALA 35 1HB ALA 35 12.976 8.466 -21.610 169 2HB ALA 35 2HB ALA 35 12.731 10.018 -22.447 170 3HB ALA 35 3HB ALA 35 12.239 9.837 -20.746 171 H THR 12 H THR 12 -7.316 -1.813 -22.025 172 HA THR 12 HA THR 12 -10.180 -1.868 -21.330 173 HB THR 12 HB THR 12 -9.637 -1.111 -23.704 174 HG1 THR 12 1HG THR 12 -11.269 -2.592 -24.455 175 1HG2 THR 12 1HG2 THR 12 -8.765 -4.032 -24.005 176 2HG2 THR 12 2HG2 THR 12 -8.876 -2.815 -25.300 177 3HG2 THR 12 3HG2 THR 12 -7.635 -2.656 -24.034 178 H ALA 13 H ALA 13 -10.861 -3.630 -20.290 179 HA ALA 13 HA ALA 13 -9.115 -5.992 -20.457 180 1HB ALA 13 1HB ALA 13 -10.572 -6.281 -18.136 181 2HB ALA 13 2HB ALA 13 -8.924 -5.613 -18.229 182 3HB ALA 13 3HB ALA 13 -10.327 -4.519 -18.199 183 H LEU 14 H LEU 14 -10.217 -6.871 -22.286 184 HA LEU 14 HA LEU 14 -13.003 -7.612 -21.713 185 2HB LEU 14 2HB LEU 14 -12.433 -7.913 -24.464 186 HG LEU 14 HG LEU 14 -14.348 -6.493 -22.821 187 1HD1 LEU 14 1HD1 LEU 14 -12.931 -4.588 -23.910 188 2HD1 LEU 14 2HD1 LEU 14 -13.821 -5.030 -25.386 189 3HD1 LEU 14 3HD1 LEU 14 -14.709 -4.507 -23.935 190 1HD2 LEU 14 1HD2 LEU 14 -14.406 -7.409 -25.710 191 2HD2 LEU 14 2HD2 LEU 14 -14.899 -8.360 -24.288 192 3HD2 LEU 14 3HD2 LEU 14 -15.813 -6.903 -24.745 193 H ASN 15 H ASN 15 -13.662 -9.782 -22.227 194 HA ASN 15 HA ASN 15 -11.376 -11.567 -22.528 195 2HB ASN 15 2HB ASN 15 -12.172 -11.808 -20.244 196 1HD2 ASN 15 1HD2 ASN 15 -14.140 -13.058 -19.095 197 2HD2 ASN 15 2HD2 ASN 15 -15.668 -12.255 -19.256 198 H THR 16 H THR 16 -11.634 -12.200 -24.705 199 HA THR 16 HA THR 16 -14.282 -13.268 -25.428 200 HB THR 16 HB THR 16 -14.147 -11.225 -26.652 201 HG1 THR 16 1HG THR 16 -14.250 -12.319 -28.581 202 1HG2 THR 16 1HG2 THR 16 -11.668 -10.803 -26.097 203 2HG2 THR 16 2HG2 THR 16 -11.272 -11.917 -27.428 204 3HG2 THR 16 3HG2 THR 16 -12.146 -10.404 -27.766 205 HA DPR 17 HA DPR 17 -12.207 -16.813 -26.655 206 1HB DPR 17 2HB DPR 17 -12.478 -18.430 -24.468 207 2HB DPR 17 3HB DPR 17 -13.760 -18.172 -25.635 208 1HG DPR 17 2HG DPR 17 -13.490 -17.071 -22.905 209 2HG DPR 17 3HG DPR 17 -14.922 -17.178 -23.908 210 1HD DPR 17 2HD DPR 17 -13.353 -14.831 -23.404 211 2HD DPR 17 3HD DPR 17 -14.716 -14.966 -24.497 212 H ALA 18 H ALA 18 -10.271 -15.203 -26.570 213 HA ALA 18 HA ALA 18 -8.120 -16.727 -25.656 214 1HB ALA 18 1HB ALA 18 -6.786 -14.882 -26.400 215 2HB ALA 18 2HB ALA 18 -8.189 -14.960 -27.493 216 3HB ALA 18 3HB ALA 18 -8.135 -13.737 -26.201 217 H VAL 19 H VAL 19 -6.627 -14.366 -24.459 218 HA VAL 19 HA VAL 19 -7.664 -14.744 -21.749 219 HB VAL 19 HB VAL 19 -5.407 -14.091 -21.051 220 1HG1 VAL 19 1HG1 VAL 19 -5.414 -16.364 -21.110 221 2HG1 VAL 19 2HG1 VAL 19 -5.951 -16.431 -22.806 222 3HG1 VAL 19 3HG1 VAL 19 -4.245 -16.098 -22.425 223 1HG2 VAL 19 1HG2 VAL 19 -3.998 -14.374 -23.535 224 2HG2 VAL 19 2HG2 VAL 19 -5.213 -13.083 -23.702 225 3HG2 VAL 19 3HG2 VAL 19 -4.003 -13.005 -22.398 226 H GLN 20 H GLN 20 -7.452 -12.818 -20.252 227 HA GLN 20 HA GLN 20 -8.143 -10.430 -21.776 228 2HB GLN 20 2HB GLN 20 -8.929 -11.088 -18.905 229 2HG GLN 20 2HG GLN 20 -10.811 -9.387 -20.098 230 1HE2 GLN 20 1HE2 GLN 20 -7.906 -7.715 -19.418 231 2HE2 GLN 20 2HE2 GLN 20 -8.178 -7.350 -17.746 232 H LYS 21 H LYS 21 -6.503 -8.959 -21.833 233 HA LYS 21 HA LYS 21 -4.865 -8.727 -19.404 234 2HB LYS 21 2HB LYS 21 -3.640 -9.777 -21.281 235 2HG LYS 21 2HG LYS 21 -4.111 -7.087 -22.653 236 2HD LYS 21 2HD LYS 21 -2.401 -9.516 -23.307 237 2HE LYS 21 2HE LYS 21 -3.583 -7.432 -25.190 238 1HZ LYS 21 1HZ LYS 21 -1.786 -8.983 -26.565 239 2HZ LYS 21 2HZ LYS 21 -1.577 -7.414 -26.183 240 H TRP 22 H TRP 22 -4.673 -6.708 -18.510 241 HA TRP 22 HA TRP 22 -6.043 -4.561 -19.978 242 2HB TRP 22 2HB TRP 22 -6.968 -5.470 -17.744 243 HD1 TRP 22 HD TRP 22 -4.344 -6.305 -16.480 244 HE1 TRP 22 1HE TRP 22 -3.302 -5.335 -14.258 245 HE3 TRP 22 3HE TRP 22 -6.895 -1.907 -16.581 246 HZ2 TRP 22 2HZ TRP 22 -3.653 -2.892 -12.825 247 HZ3 TRP 22 3HZ TRP 22 -6.486 -0.285 -14.733 248 HH2 TRP 22 HH TRP 22 -4.930 -0.719 -12.899 249 H HIS 23 H HIS 23 -4.882 -2.679 -20.391 250 HA HIS 23 HA HIS 23 -2.146 -2.662 -19.340 251 2HB HIS 23 2HB HIS 23 -1.769 -2.952 -21.575 252 HD1 HIS 23 1HD HIS 23 -3.974 -4.114 -22.569 253 HD2 HIS 23 2HD HIS 23 -3.775 0.058 -22.960 254 HE1 HIS 23 1HE HIS 23 -5.729 -3.475 -24.307 255 H PHE 24 H PHE 24 -1.452 -0.840 -18.262 256 HA PHE 24 HA PHE 24 -3.311 1.431 -18.283 257 2HB PHE 24 2HB PHE 24 -1.712 0.095 -16.021 258 HD1 PHE 24 1HD PHE 24 -1.068 1.353 -14.207 259 HD2 PHE 24 2HD PHE 24 -4.230 2.789 -16.646 260 HE1 PHE 24 1HE PHE 24 -1.198 3.437 -12.813 261 HE2 PHE 24 2HE PHE 24 -4.359 4.872 -15.252 262 HZ PHE 24 HZ PHE 24 -2.842 5.172 -13.352 263 H VAL 25 H VAL 25 -2.167 2.827 -19.621 264 HA VAL 25 HA VAL 25 0.656 3.233 -18.955 265 HB VAL 25 HB VAL 25 -1.013 3.788 -21.404 266 1HG1 VAL 25 1HG1 VAL 25 1.546 4.450 -22.138 267 2HG1 VAL 25 2HG1 VAL 25 0.267 5.615 -21.719 268 3HG1 VAL 25 3HG1 VAL 25 1.456 5.118 -20.491 269 1HG2 VAL 25 1HG2 VAL 25 0.709 1.648 -20.565 270 2HG2 VAL 25 2HG2 VAL 25 -0.224 1.815 -22.072 271 3HG2 VAL 25 3HG2 VAL 25 1.433 2.459 -21.975 272 H LEU 26 H LEU 26 0.607 4.612 -17.182 273 HA LEU 26 HA LEU 26 -0.976 7.056 -17.521 274 2HB LEU 26 2HB LEU 26 0.281 6.276 -14.932 275 HG LEU 26 HG LEU 26 -1.762 7.131 -13.947 276 1HD1 LEU 26 1HD1 LEU 26 0.159 8.669 -15.317 277 2HD1 LEU 26 2HD1 LEU 26 -1.413 9.444 -15.628 278 3HD1 LEU 26 3HD1 LEU 26 -0.875 9.164 -13.955 279 1HD2 LEU 26 1HD2 LEU 26 -2.774 6.873 -16.672 280 2HD2 LEU 26 2HD2 LEU 26 -3.646 6.942 -15.122 281 3HD2 LEU 26 3HD2 LEU 26 -3.160 8.448 -15.939 282 HA DPR 27 HA DPR 27 2.638 9.503 -17.154 283 1HB DPR 27 2HB DPR 27 1.984 11.331 -19.078 284 2HB DPR 27 3HB DPR 27 1.471 11.471 -17.408 285 1HG DPR 27 2HG DPR 27 -0.112 10.670 -19.772 286 2HG DPR 27 3HG DPR 27 -0.678 11.220 -18.207 287 1HD DPR 27 2HD DPR 27 -0.647 8.517 -19.167 288 2HD DPR 27 3HD DPR 27 -1.103 9.055 -17.562 289 H GLY 28 H GLY 28 4.267 8.120 -17.732 290 1HA GLY 28 1HA GLY 28 4.536 7.685 -20.630 291 2HA GLY 28 2HA GLY 28 5.847 8.442 -19.746 292 H TYR 29 H TYR 29 3.664 5.923 -18.402 293 HA TYR 29 HA TYR 29 5.981 4.105 -18.366 294 2HB TYR 29 2HB TYR 29 4.360 3.304 -16.300 295 HD1 TYR 29 1HD TYR 29 6.051 2.846 -14.785 296 HD2 TYR 29 2HD TYR 29 5.881 6.733 -16.565 297 HE1 TYR 29 1HE TYR 29 8.032 3.587 -13.374 298 HE2 TYR 29 2HE TYR 29 7.863 7.460 -15.147 299 HH TYR 29 HH TYR 29 9.899 5.441 -13.727 300 H LYS 30 H LYS 30 5.702 2.320 -19.598 301 HA LYS 30 HA LYS 30 2.942 1.549 -20.205 302 2HB LYS 30 2HB LYS 30 5.488 0.762 -21.650 303 2HG LYS 30 2HG LYS 30 2.507 0.489 -22.207 304 2HD LYS 30 2HD LYS 30 4.730 -0.054 -24.216 305 2HE LYS 30 2HE LYS 30 2.136 0.607 -25.316 306 1HZ LYS 30 1HZ LYS 30 3.189 -2.126 -25.253 307 2HZ LYS 30 2HZ LYS 30 2.577 -1.294 -26.512 308 H CYS 31 H CYS 31 2.300 0.266 -18.496 309 HA CYS 31 HA CYS 31 4.059 -2.016 -17.952 310 2HB CYS 31 2HB CYS 31 2.009 -1.242 -15.950 311 H GLU 32 H GLU 32 3.219 -3.770 -19.039 312 HA GLU 32 HA GLU 32 0.308 -3.986 -19.038 313 2HB GLU 32 2HB GLU 32 2.312 -4.879 -21.156 314 2HG GLU 32 2HG GLU 32 -0.654 -5.047 -21.582 315 HE2 GLU 32 HE GLU 32 1.098 -8.027 -23.284 316 H ILE 33 H ILE 33 -0.591 -5.909 -18.286 317 HA ILE 33 HA ILE 33 1.334 -8.020 -17.603 318 HB ILE 33 HB ILE 33 -0.932 -6.892 -15.968 319 2HG1 ILE 33 2HG1 ILE 33 1.308 -5.772 -15.879 320 1HG2 ILE 33 1HG2 ILE 33 -1.337 -9.051 -15.432 321 2HG2 ILE 33 2HG2 ILE 33 0.277 -9.601 -15.944 322 3HG2 ILE 33 3HG2 ILE 33 0.067 -8.806 -14.366 323 1HD1 ILE 33 1HD1 ILE 33 -0.415 -6.114 -13.889 324 2HD1 ILE 33 2HD1 ILE 33 0.859 -7.175 -13.242 325 3HD1 ILE 33 3HD1 ILE 33 1.207 -5.458 -13.561 326 H LEU 34 H LEU 34 0.818 -10.057 -18.288 327 HA LEU 34 HA LEU 34 -1.764 -10.292 -19.655 328 2HB LEU 34 2HB LEU 34 0.450 -10.537 -20.895 329 HG LEU 34 HG LEU 34 1.083 -12.448 -19.004 330 1HD1 LEU 34 1HD1 LEU 34 0.085 -14.368 -19.511 331 2HD1 LEU 34 2HD1 LEU 34 -0.551 -13.719 -21.042 332 3HD1 LEU 34 3HD1 LEU 34 1.088 -14.411 -20.981 333 1HD2 LEU 34 1HD2 LEU 34 2.674 -11.268 -20.399 334 2HD2 LEU 34 2HD2 LEU 34 2.943 -13.024 -20.520 335 3HD2 LEU 34 3HD2 LEU 34 2.118 -12.156 -21.838 336 H ALA 35 H ALA 35 -3.234 -11.867 -19.071 337 HA ALA 35 HA ALA 35 -2.409 -13.555 -16.808 338 1HB ALA 35 1HB ALA 35 -4.833 -11.855 -17.300 339 2HB ALA 35 2HB ALA 35 -5.042 -13.383 -16.411 340 3HB ALA 35 3HB ALA 35 -3.928 -12.140 -15.795 Start of MODEL 3 1 H THR 12 H THR 12 22.651 -3.482 -20.981 2 HA THR 12 HA THR 12 20.173 -4.147 -19.639 3 HB THR 12 HB THR 12 22.780 -3.505 -18.168 4 HG1 THR 12 1HG THR 12 21.858 -5.551 -17.097 5 1HG2 THR 12 1HG2 THR 12 20.415 -4.138 -16.539 6 2HG2 THR 12 2HG2 THR 12 21.578 -2.804 -16.350 7 3HG2 THR 12 3HG2 THR 12 20.186 -2.623 -17.445 8 H ALA 13 H ALA 13 20.029 -2.571 -21.672 9 HA ALA 13 HA ALA 13 19.314 -0.088 -20.582 10 1HB ALA 13 1HB ALA 13 21.143 0.981 -22.347 11 2HB ALA 13 2HB ALA 13 21.356 0.899 -20.582 12 3HB ALA 13 3HB ALA 13 22.067 -0.357 -21.624 13 H LEU 14 H LEU 14 18.049 1.118 -22.087 14 HA LEU 14 HA LEU 14 17.747 -0.203 -24.692 15 2HB LEU 14 2HB LEU 14 15.318 1.047 -23.780 16 HG LEU 14 HG LEU 14 14.277 -1.064 -24.202 17 1HD1 LEU 14 1HD1 LEU 14 15.543 0.381 -26.111 18 2HD1 LEU 14 2HD1 LEU 14 16.266 -1.223 -26.384 19 3HD1 LEU 14 3HD1 LEU 14 14.498 -1.022 -26.442 20 1HD2 LEU 14 1HD2 LEU 14 15.956 -2.459 -23.016 21 2HD2 LEU 14 2HD2 LEU 14 15.450 -3.130 -24.585 22 3HD2 LEU 14 3HD2 LEU 14 17.025 -2.317 -24.432 23 H ASN 15 H ASN 15 19.423 1.462 -25.272 24 HA ASN 15 HA ASN 15 18.016 3.925 -25.897 25 2HB ASN 15 2HB ASN 15 20.888 3.699 -24.852 26 1HD2 ASN 15 1HD2 ASN 15 21.378 6.074 -24.015 27 2HD2 ASN 15 2HD2 ASN 15 21.256 7.305 -25.227 28 H THR 16 H THR 16 17.797 3.268 -28.120 29 HA THR 16 HA THR 16 20.337 3.120 -29.583 30 HB THR 16 HB THR 16 17.928 1.243 -29.838 31 HG1 THR 16 1HG THR 16 20.592 0.337 -29.562 32 1HG2 THR 16 1HG2 THR 16 19.246 0.085 -31.557 33 2HG2 THR 16 2HG2 THR 16 19.042 1.779 -32.065 34 3HG2 THR 16 3HG2 THR 16 20.586 1.241 -31.359 35 HA DPR 17 HA DPR 17 18.452 5.751 -32.405 36 1HB DPR 17 2HB DPR 17 19.697 8.105 -31.788 37 2HB DPR 17 3HB DPR 17 20.433 6.863 -32.782 38 1HG DPR 17 2HG DPR 17 21.011 7.570 -29.970 39 2HG DPR 17 3HG DPR 17 21.992 6.653 -31.096 40 1HD DPR 17 2HD DPR 17 20.410 5.602 -28.947 41 2HD DPR 17 3HD DPR 17 21.298 4.679 -30.142 42 H ALA 18 H ALA 18 16.501 5.151 -30.893 43 HA ALA 18 HA ALA 18 14.987 7.473 -30.749 44 1HB ALA 18 1HB ALA 18 14.132 5.353 -28.919 45 2HB ALA 18 2HB ALA 18 13.346 5.968 -30.393 46 3HB ALA 18 3HB ALA 18 14.605 4.715 -30.512 47 H VAL 19 H VAL 19 13.748 7.174 -28.109 48 HA VAL 19 HA VAL 19 15.520 8.892 -26.683 49 HB VAL 19 HB VAL 19 13.710 8.898 -25.016 50 1HG1 VAL 19 1HG1 VAL 19 12.089 9.206 -27.440 51 2HG1 VAL 19 2HG1 VAL 19 12.595 10.415 -26.237 52 3HG1 VAL 19 3HG1 VAL 19 13.691 9.970 -27.567 53 1HG2 VAL 19 1HG2 VAL 19 13.043 6.399 -26.195 54 2HG2 VAL 19 2HG2 VAL 19 12.256 7.220 -24.827 55 3HG2 VAL 19 3HG2 VAL 19 11.677 7.502 -26.487 56 H GLN 20 H GLN 20 15.662 8.352 -24.127 57 HA GLN 20 HA GLN 20 17.016 5.790 -24.091 58 2HB GLN 20 2HB GLN 20 18.287 7.828 -23.418 59 2HG GLN 20 2HG GLN 20 16.538 7.892 -20.930 60 1HE2 GLN 20 1HE2 GLN 20 16.697 10.877 -21.846 61 2HE2 GLN 20 2HE2 GLN 20 18.211 11.425 -21.209 62 H LYS 21 H LYS 21 15.832 4.078 -23.363 63 HA LYS 21 HA LYS 21 14.130 4.559 -21.027 64 2HB LYS 21 2HB LYS 21 12.649 4.540 -22.944 65 2HG LYS 21 2HG LYS 21 13.349 1.689 -23.594 66 2HD LYS 21 2HD LYS 21 12.753 3.931 -25.539 67 2HE LYS 21 2HE LYS 21 11.289 1.487 -25.962 68 1HZ LYS 21 1HZ LYS 21 12.245 3.114 -27.618 69 2HZ LYS 21 2HZ LYS 21 13.707 2.432 -27.394 70 H TRP 22 H TRP 22 13.836 2.660 -19.658 71 HA TRP 22 HA TRP 22 16.114 0.839 -19.949 72 2HB TRP 22 2HB TRP 22 16.070 0.545 -17.618 73 HD1 TRP 22 HD TRP 22 14.358 3.849 -17.019 74 HE1 TRP 22 1HE TRP 22 16.068 5.843 -16.773 75 HE3 TRP 22 3HE TRP 22 18.417 1.261 -18.655 76 HZ2 TRP 22 2HZ TRP 22 18.865 6.108 -17.280 77 HZ3 TRP 22 3HZ TRP 22 20.600 2.461 -18.749 78 HH2 TRP 22 HH TRP 22 20.862 4.802 -18.095 79 H HIS 23 H HIS 23 15.637 -1.475 -19.183 80 HA HIS 23 HA HIS 23 12.887 -2.188 -19.898 81 2HB HIS 23 2HB HIS 23 15.484 -3.442 -20.794 82 HD1 HIS 23 1HD HIS 23 12.484 -4.368 -22.665 83 HD2 HIS 23 2HD HIS 23 14.636 -5.941 -19.425 84 HE1 HIS 23 1HE HIS 23 11.751 -6.801 -22.433 85 H PHE 24 H PHE 24 11.880 -2.963 -18.117 86 HA PHE 24 HA PHE 24 13.517 -4.582 -16.293 87 2HB PHE 24 2HB PHE 24 11.058 -2.824 -15.716 88 HD1 PHE 24 1HD PHE 24 10.000 -3.989 -13.980 89 HD2 PHE 24 2HD PHE 24 14.209 -3.462 -13.859 90 HE1 PHE 24 1HE PHE 24 10.044 -4.880 -11.634 91 HE2 PHE 24 2HE PHE 24 14.252 -4.353 -11.513 92 HZ PHE 24 HZ PHE 24 12.170 -5.051 -10.429 93 H VAL 25 H VAL 25 12.971 -6.666 -16.892 94 HA VAL 25 HA VAL 25 10.088 -7.245 -16.915 95 HB VAL 25 HB VAL 25 12.340 -8.371 -18.580 96 1HG1 VAL 25 1HG1 VAL 25 11.301 -10.343 -18.637 97 2HG1 VAL 25 2HG1 VAL 25 9.985 -9.728 -17.609 98 3HG1 VAL 25 3HG1 VAL 25 9.895 -9.542 -19.376 99 1HG2 VAL 25 1HG2 VAL 25 11.290 -6.275 -19.374 100 2HG2 VAL 25 2HG2 VAL 25 10.987 -7.644 -20.470 101 3HG2 VAL 25 3HG2 VAL 25 9.705 -7.084 -19.370 102 H LEU 26 H LEU 26 9.402 -8.651 -15.374 103 HA LEU 26 HA LEU 26 11.490 -10.234 -14.043 104 2HB LEU 26 2HB LEU 26 9.710 -10.046 -12.101 105 HG LEU 26 HG LEU 26 11.620 -7.793 -12.783 106 1HD1 LEU 26 1HD1 LEU 26 11.372 -6.927 -10.627 107 2HD1 LEU 26 2HD1 LEU 26 9.706 -7.266 -11.154 108 3HD1 LEU 26 3HD1 LEU 26 10.529 -8.379 -10.035 109 1HD2 LEU 26 1HD2 LEU 26 13.292 -9.009 -11.932 110 2HD2 LEU 26 2HD2 LEU 26 12.295 -9.625 -10.592 111 3HD2 LEU 26 3HD2 LEU 26 12.220 -10.406 -12.191 112 HA DPR 27 HA DPR 27 9.045 -13.711 -14.799 113 1HB DPR 27 2HB DPR 27 10.383 -14.848 -16.892 114 2HB DPR 27 3HB DPR 27 10.899 -15.007 -15.225 115 1HG DPR 27 2HG DPR 27 12.050 -13.328 -17.368 116 2HG DPR 27 3HG DPR 27 12.778 -13.826 -15.853 117 1HD DPR 27 2HD DPR 27 11.684 -11.246 -16.465 118 2HD DPR 27 3HD DPR 27 12.306 -11.781 -14.916 119 H GLY 28 H GLY 28 6.988 -13.164 -15.317 120 1HA GLY 28 1HA GLY 28 6.491 -13.124 -18.203 121 2HA GLY 28 2HA GLY 28 5.323 -13.404 -16.926 122 H TYR 29 H TYR 29 6.007 -11.183 -15.191 123 HA TYR 29 HA TYR 29 4.393 -9.208 -16.213 124 2HB TYR 29 2HB TYR 29 6.156 -7.939 -14.451 125 HD1 TYR 29 1HD TYR 29 4.087 -11.043 -13.959 126 HD2 TYR 29 2HD TYR 29 4.674 -6.915 -13.001 127 HE1 TYR 29 1HE TYR 29 2.044 -11.096 -12.447 128 HE2 TYR 29 2HE TYR 29 2.630 -6.982 -11.492 129 HH TYR 29 HH TYR 29 0.337 -9.091 -11.659 130 H LYS 30 H LYS 30 4.632 -7.572 -17.664 131 HA LYS 30 HA LYS 30 7.390 -6.944 -18.463 132 2HB LYS 30 2HB LYS 30 5.989 -6.213 -20.634 133 2HG LYS 30 2HG LYS 30 7.529 -8.563 -19.790 134 2HD LYS 30 2HD LYS 30 5.230 -9.526 -20.667 135 2HE LYS 30 2HE LYS 30 6.349 -9.496 -23.387 136 1HZ LYS 30 1HZ LYS 30 4.151 -9.676 -23.826 137 2HZ LYS 30 2HZ LYS 30 3.930 -9.887 -22.227 138 H CYS 31 H CYS 31 7.967 -5.048 -17.542 139 HA CYS 31 HA CYS 31 5.979 -2.905 -17.675 140 2HB CYS 31 2HB CYS 31 7.816 -2.630 -15.434 141 H GLU 32 H GLU 32 6.816 -1.527 -19.213 142 HA GLU 32 HA GLU 32 9.706 -1.138 -19.136 143 2HB GLU 32 2HB GLU 32 8.998 -2.174 -21.238 144 2HG GLU 32 2HG GLU 32 7.160 0.252 -21.520 145 HE2 GLU 32 HE GLU 32 5.850 -0.736 -24.191 146 H ILE 33 H ILE 33 10.511 0.970 -18.975 147 HA ILE 33 HA ILE 33 8.448 3.049 -18.731 148 HB ILE 33 HB ILE 33 11.074 2.715 -17.280 149 2HG1 ILE 33 2HG1 ILE 33 9.701 2.511 -15.283 150 1HG2 ILE 33 1HG2 ILE 33 9.303 5.078 -17.647 151 2HG2 ILE 33 2HG2 ILE 33 9.952 4.783 -16.016 152 3HG2 ILE 33 3HG2 ILE 33 11.062 4.981 -17.394 153 1HD1 ILE 33 1HD1 ILE 33 7.139 1.990 -16.523 154 2HD1 ILE 33 2HD1 ILE 33 7.534 3.155 -15.237 155 3HD1 ILE 33 3HD1 ILE 33 7.668 3.637 -16.945 156 H LEU 34 H LEU 34 8.398 4.204 -20.590 157 HA LEU 34 HA LEU 34 10.924 4.616 -21.989 158 2HB LEU 34 2HB LEU 34 8.049 5.032 -22.811 159 HG LEU 34 HG LEU 34 10.608 5.627 -24.261 160 1HD1 LEU 34 1HD1 LEU 34 9.561 3.771 -25.511 161 2HD1 LEU 34 2HD1 LEU 34 8.067 4.728 -25.648 162 3HD1 LEU 34 3HD1 LEU 34 9.564 5.301 -26.421 163 1HD2 LEU 34 1HD2 LEU 34 8.398 7.132 -25.194 164 2HD2 LEU 34 2HD2 LEU 34 8.285 7.077 -23.418 165 3HD2 LEU 34 3HD2 LEU 34 9.769 7.676 -24.198 166 H ALA 35 H ALA 35 11.793 6.670 -22.387 167 HA ALA 35 HA ALA 35 10.434 8.862 -20.977 168 1HB ALA 35 1HB ALA 35 12.273 8.166 -19.586 169 2HB ALA 35 2HB ALA 35 13.374 8.088 -20.981 170 3HB ALA 35 3HB ALA 35 12.770 9.662 -20.412 171 H THR 12 H THR 12 -8.364 2.046 -20.305 172 HA THR 12 HA THR 12 -10.944 1.399 -19.041 173 HB THR 12 HB THR 12 -11.728 0.788 -21.344 174 HG1 THR 12 1HG THR 12 -9.224 2.106 -22.096 175 1HG2 THR 12 1HG2 THR 12 -11.971 3.218 -20.529 176 2HG2 THR 12 2HG2 THR 12 -10.468 3.575 -21.413 177 3HG2 THR 12 3HG2 THR 12 -11.910 3.021 -22.297 178 H ALA 13 H ALA 13 -10.612 -0.369 -17.839 179 HA ALA 13 HA ALA 13 -8.942 -2.465 -19.048 180 1HB ALA 13 1HB ALA 13 -8.519 -1.160 -16.683 181 2HB ALA 13 2HB ALA 13 -9.505 -2.536 -16.134 182 3HB ALA 13 3HB ALA 13 -7.984 -2.824 -17.015 183 H LEU 14 H LEU 14 -9.737 -4.611 -19.055 184 HA LEU 14 HA LEU 14 -12.568 -4.825 -18.298 185 2HB LEU 14 2HB LEU 14 -12.382 -6.652 -20.238 186 HG LEU 14 HG LEU 14 -13.478 -4.032 -20.100 187 1HD1 LEU 14 1HD1 LEU 14 -13.334 -3.481 -22.586 188 2HD1 LEU 14 2HD1 LEU 14 -11.907 -3.112 -21.588 189 3HD1 LEU 14 3HD1 LEU 14 -11.915 -4.555 -22.629 190 1HD2 LEU 14 1HD2 LEU 14 -14.989 -4.951 -21.889 191 2HD2 LEU 14 2HD2 LEU 14 -13.964 -6.406 -21.911 192 3HD2 LEU 14 3HD2 LEU 14 -14.839 -5.957 -20.427 193 H ASN 15 H ASN 15 -12.926 -6.257 -16.696 194 HA ASN 15 HA ASN 15 -10.921 -8.356 -16.405 195 2HB ASN 15 2HB ASN 15 -10.725 -6.964 -14.457 196 1HD2 ASN 15 1HD2 ASN 15 -11.741 -6.004 -12.542 197 2HD2 ASN 15 2HD2 ASN 15 -13.267 -5.201 -12.701 198 H THR 16 H THR 16 -12.100 -9.981 -17.577 199 HA THR 16 HA THR 16 -14.673 -10.730 -16.358 200 HB THR 16 HB THR 16 -13.895 -10.263 -19.247 201 HG1 THR 16 1HG THR 16 -15.260 -8.899 -17.683 202 1HG2 THR 16 1HG2 THR 16 -14.843 -12.735 -18.743 203 2HG2 THR 16 2HG2 THR 16 -16.377 -11.849 -18.568 204 3HG2 THR 16 3HG2 THR 16 -15.477 -11.775 -20.102 205 HA DPR 17 HA DPR 17 -13.326 -14.883 -16.889 206 1HB DPR 17 2HB DPR 17 -14.664 -15.905 -14.737 207 2HB DPR 17 3HB DPR 17 -15.364 -15.804 -16.340 208 1HG DPR 17 2HG DPR 17 -15.911 -14.124 -13.970 209 2HG DPR 17 3HG DPR 17 -16.874 -14.322 -15.420 210 1HD DPR 17 2HD DPR 17 -15.197 -12.088 -14.767 211 2HD DPR 17 3HD DPR 17 -16.069 -12.342 -16.266 212 H ALA 18 H ALA 18 -12.045 -16.465 -15.636 213 HA ALA 18 HA ALA 18 -11.029 -15.647 -13.143 214 1HB ALA 18 1HB ALA 18 -9.223 -17.411 -14.513 215 2HB ALA 18 2HB ALA 18 -10.373 -17.793 -13.209 216 3HB ALA 18 3HB ALA 18 -10.890 -17.894 -14.910 217 H VAL 19 H VAL 19 -9.115 -16.079 -16.195 218 HA VAL 19 HA VAL 19 -7.187 -14.195 -15.289 219 HB VAL 19 HB VAL 19 -6.149 -14.622 -17.465 220 1HG1 VAL 19 1HG1 VAL 19 -6.254 -17.289 -17.185 221 2HG1 VAL 19 2HG1 VAL 19 -5.381 -16.235 -16.048 222 3HG1 VAL 19 3HG1 VAL 19 -7.014 -16.820 -15.646 223 1HG2 VAL 19 1HG2 VAL 19 -7.435 -15.096 -19.226 224 2HG2 VAL 19 2HG2 VAL 19 -7.671 -16.723 -18.543 225 3HG2 VAL 19 3HG2 VAL 19 -8.839 -15.428 -18.183 226 H GLN 20 H GLN 20 -6.946 -12.037 -15.788 227 HA GLN 20 HA GLN 20 -8.938 -10.972 -17.631 228 2HB GLN 20 2HB GLN 20 -9.668 -10.361 -15.409 229 2HG GLN 20 2HG GLN 20 -6.747 -9.978 -14.974 230 1HE2 GLN 20 1HE2 GLN 20 -7.755 -9.144 -12.187 231 2HE2 GLN 20 2HE2 GLN 20 -7.810 -7.415 -12.242 232 H LYS 21 H LYS 21 -8.279 -8.841 -18.636 233 HA LYS 21 HA LYS 21 -5.355 -8.597 -18.729 234 2HB LYS 21 2HB LYS 21 -7.160 -8.283 -21.136 235 2HG LYS 21 2HG LYS 21 -4.742 -8.961 -22.094 236 2HD LYS 21 2HD LYS 21 -4.324 -6.236 -21.554 237 2HE LYS 21 2HE LYS 21 -5.925 -7.658 -23.727 238 1HZ LYS 21 1HZ LYS 21 -4.853 -4.929 -23.997 239 2HZ LYS 21 2HZ LYS 21 -6.026 -5.648 -24.867 240 H TRP 22 H TRP 22 -4.763 -6.663 -17.925 241 HA TRP 22 HA TRP 22 -6.638 -4.435 -18.340 242 2HB TRP 22 2HB TRP 22 -6.693 -4.659 -16.073 243 HD1 TRP 22 HD TRP 22 -3.175 -5.897 -17.074 244 HE1 TRP 22 1HE TRP 22 -2.114 -7.389 -15.173 245 HE3 TRP 22 3HE TRP 22 -6.808 -5.014 -13.627 246 HZ2 TRP 22 2HZ TRP 22 -2.895 -8.018 -12.501 247 HZ3 TRP 22 3HZ TRP 22 -6.582 -6.106 -11.397 248 HH2 TRP 22 HH TRP 22 -4.710 -7.564 -10.810 249 H HIS 23 H HIS 23 -5.675 -2.396 -18.944 250 HA HIS 23 HA HIS 23 -2.855 -2.596 -19.689 251 2HB HIS 23 2HB HIS 23 -4.765 -2.823 -21.555 252 HD1 HIS 23 1HD HIS 23 -6.854 -1.304 -21.586 253 HD2 HIS 23 2HD HIS 23 -3.243 0.777 -22.064 254 HE1 HIS 23 1HE HIS 23 -7.482 1.061 -22.309 255 H PHE 24 H PHE 24 -1.915 -1.239 -18.220 256 HA PHE 24 HA PHE 24 -3.258 1.331 -17.782 257 2HB PHE 24 2HB PHE 24 -1.166 -0.295 -16.212 258 HD1 PHE 24 1HD PHE 24 -3.752 1.898 -14.820 259 HD2 PHE 24 2HD PHE 24 0.375 1.506 -15.732 260 HE1 PHE 24 1HE PHE 24 -3.245 3.895 -13.386 261 HE2 PHE 24 2HE PHE 24 0.881 3.503 -14.298 262 HZ PHE 24 HZ PHE 24 -0.935 4.674 -13.142 263 H VAL 25 H VAL 25 -2.398 2.996 -18.923 264 HA VAL 25 HA VAL 25 0.520 3.058 -19.173 265 HB VAL 25 HB VAL 25 0.341 3.793 -21.460 266 1HG1 VAL 25 1HG1 VAL 25 -1.281 1.256 -21.066 267 2HG1 VAL 25 2HG1 VAL 25 -0.357 1.715 -22.516 268 3HG1 VAL 25 3HG1 VAL 25 0.494 1.363 -20.993 269 1HG2 VAL 25 1HG2 VAL 25 -1.759 3.859 -22.685 270 2HG2 VAL 25 2HG2 VAL 25 -2.655 3.349 -21.234 271 3HG2 VAL 25 3HG2 VAL 25 -1.852 4.937 -21.272 272 H LEU 26 H LEU 26 1.441 5.115 -18.952 273 HA LEU 26 HA LEU 26 -0.478 7.287 -18.498 274 2HB LEU 26 2HB LEU 26 1.649 7.811 -16.808 275 HG LEU 26 HG LEU 26 -0.853 6.362 -15.919 276 1HD1 LEU 26 1HD1 LEU 26 -0.358 8.199 -14.016 277 2HD1 LEU 26 2HD1 LEU 26 0.302 6.545 -13.986 278 3HD1 LEU 26 3HD1 LEU 26 1.302 7.894 -14.577 279 1HD2 LEU 26 1HD2 LEU 26 -1.341 9.068 -15.593 280 2HD2 LEU 26 2HD2 LEU 26 -0.595 8.969 -17.205 281 3HD2 LEU 26 3HD2 LEU 26 -2.046 8.006 -16.835 282 HA DPR 27 HA DPR 27 2.118 9.381 -21.245 283 1HB DPR 27 2HB DPR 27 1.407 8.527 -23.741 284 2HB DPR 27 3HB DPR 27 0.463 9.679 -22.818 285 1HG DPR 27 2HG DPR 27 -0.088 6.821 -23.332 286 2HG DPR 27 3HG DPR 27 -1.190 8.072 -22.793 287 1HD DPR 27 2HD DPR 27 -0.004 6.018 -21.180 288 2HD DPR 27 3HD DPR 27 -1.013 7.338 -20.621 289 H GLY 28 H GLY 28 4.213 8.931 -20.705 290 1HA GLY 28 1HA GLY 28 5.637 7.437 -22.689 291 2HA GLY 28 2HA GLY 28 6.288 8.223 -21.265 292 H TYR 29 H TYR 29 4.419 6.868 -19.364 293 HA TYR 29 HA TYR 29 5.956 4.455 -19.070 294 2HB TYR 29 2HB TYR 29 4.223 4.401 -17.035 295 HD1 TYR 29 1HD TYR 29 5.851 7.632 -18.061 296 HD2 TYR 29 2HD TYR 29 5.775 4.349 -15.318 297 HE1 TYR 29 1HE TYR 29 7.737 8.693 -16.727 298 HE2 TYR 29 2HE TYR 29 7.661 5.423 -13.994 299 HH TYR 29 HH TYR 29 8.548 7.670 -13.628 300 H LYS 30 H LYS 30 5.426 2.594 -20.095 301 HA LYS 30 HA LYS 30 2.561 2.001 -20.330 302 2HB LYS 30 2HB LYS 30 4.710 1.825 -22.437 303 2HG LYS 30 2HG LYS 30 2.002 0.409 -22.437 304 2HD LYS 30 2HD LYS 30 2.863 -0.547 -24.595 305 2HE LYS 30 2HE LYS 30 2.872 2.507 -24.616 306 1HZ LYS 30 1HZ LYS 30 2.312 2.271 -26.838 307 2HZ LYS 30 2HZ LYS 30 3.328 1.008 -26.692 308 H CYS 31 H CYS 31 2.063 0.256 -19.129 309 HA CYS 31 HA CYS 31 4.082 -1.853 -18.987 310 2HB CYS 31 2HB CYS 31 2.448 -0.868 -16.640 311 H GLU 32 H GLU 32 3.202 -3.883 -19.404 312 HA GLU 32 HA GLU 32 0.297 -4.050 -19.289 313 2HB GLU 32 2HB GLU 32 1.918 -5.425 -21.456 314 2HG GLU 32 2HG GLU 32 -0.801 -4.462 -22.036 315 HE2 GLU 32 HE GLU 32 -1.192 -7.558 -21.436 316 H ILE 33 H ILE 33 -0.385 -5.714 -18.006 317 HA ILE 33 HA ILE 33 1.470 -7.967 -17.680 318 HB ILE 33 HB ILE 33 -0.042 -6.411 -15.599 319 2HG1 ILE 33 2HG1 ILE 33 2.398 -5.931 -16.382 320 1HG2 ILE 33 1HG2 ILE 33 -0.580 -8.788 -15.278 321 2HG2 ILE 33 2HG2 ILE 33 1.158 -9.173 -15.252 322 3HG2 ILE 33 3HG2 ILE 33 0.454 -8.153 -13.975 323 1HD1 ILE 33 1HD1 ILE 33 3.053 -5.635 -13.877 324 2HD1 ILE 33 2HD1 ILE 33 1.612 -4.768 -14.465 325 3HD1 ILE 33 3HD1 ILE 33 1.427 -6.268 -13.525 326 H LEU 34 H LEU 34 0.543 -10.032 -17.657 327 HA LEU 34 HA LEU 34 -2.367 -10.121 -17.916 328 2HB LEU 34 2HB LEU 34 -1.300 -10.031 -20.171 329 HG LEU 34 HG LEU 34 -0.117 -11.781 -21.119 330 1HD1 LEU 34 1HD1 LEU 34 1.900 -11.973 -19.919 331 2HD1 LEU 34 2HD1 LEU 34 1.194 -10.419 -19.417 332 3HD1 LEU 34 3HD1 LEU 34 1.078 -11.835 -18.346 333 1HD2 LEU 34 1HD2 LEU 34 -0.668 -13.525 -18.703 334 2HD2 LEU 34 2HD2 LEU 34 -1.579 -13.574 -20.232 335 3HD2 LEU 34 3HD2 LEU 34 0.149 -14.001 -20.212 336 H ALA 35 H ALA 35 -3.184 -12.432 -17.649 337 HA ALA 35 HA ALA 35 -1.370 -13.887 -15.847 338 1HB ALA 35 1HB ALA 35 -4.316 -14.118 -15.467 339 2HB ALA 35 2HB ALA 35 -3.008 -14.047 -14.262 340 3HB ALA 35 3HB ALA 35 -3.589 -12.552 -15.033 Start of MODEL 4 1 H THR 12 H THR 12 21.739 -4.436 -17.332 2 HA THR 12 HA THR 12 19.888 -3.384 -15.342 3 HB THR 12 HB THR 12 21.871 -1.913 -14.828 4 HG1 THR 12 1HG THR 12 23.206 -1.759 -16.587 5 1HG2 THR 12 1HG2 THR 12 23.509 -4.244 -14.953 6 2HG2 THR 12 2HG2 THR 12 22.582 -3.668 -13.547 7 3HG2 THR 12 3HG2 THR 12 21.853 -4.834 -14.677 8 H ALA 13 H ALA 13 19.681 -0.895 -15.303 9 HA ALA 13 HA ALA 13 18.848 -0.136 -18.005 10 1HB ALA 13 1HB ALA 13 17.084 0.935 -17.026 11 2HB ALA 13 2HB ALA 13 17.426 -0.187 -15.687 12 3HB ALA 13 3HB ALA 13 18.051 1.480 -15.634 13 H LEU 14 H LEU 14 19.752 1.607 -19.053 14 HA LEU 14 HA LEU 14 21.650 3.203 -17.483 15 2HB LEU 14 2HB LEU 14 22.998 3.283 -19.645 16 HG LEU 14 HG LEU 14 23.095 1.383 -17.547 17 1HD1 LEU 14 1HD1 LEU 14 23.965 -0.615 -18.636 18 2HD1 LEU 14 2HD1 LEU 14 22.287 -0.301 -19.139 19 3HD1 LEU 14 3HD1 LEU 14 23.632 0.092 -20.236 20 1HD2 LEU 14 1HD2 LEU 14 25.530 1.185 -18.683 21 2HD2 LEU 14 2HD2 LEU 14 24.948 2.673 -19.468 22 3HD2 LEU 14 3HD2 LEU 14 25.011 2.569 -17.692 23 H ASN 15 H ASN 15 22.176 5.333 -18.689 24 HA ASN 15 HA ASN 15 19.649 6.274 -19.791 25 2HB ASN 15 2HB ASN 15 20.600 8.583 -19.087 26 1HD2 ASN 15 1HD2 ASN 15 19.985 9.432 -17.063 27 2HD2 ASN 15 2HD2 ASN 15 19.016 8.529 -15.947 28 H THR 16 H THR 16 19.711 7.308 -21.847 29 HA THR 16 HA THR 16 22.383 7.681 -23.027 30 HB THR 16 HB THR 16 19.856 6.441 -24.231 31 HG1 THR 16 1HG THR 16 21.124 4.609 -23.957 32 1HG2 THR 16 1HG2 THR 16 20.747 6.692 -26.331 33 2HG2 THR 16 2HG2 THR 16 21.774 7.960 -25.621 34 3HG2 THR 16 3HG2 THR 16 22.383 6.294 -25.755 35 HA DPR 17 HA DPR 17 21.039 11.617 -24.076 36 1HB DPR 17 2HB DPR 17 21.853 13.140 -21.958 37 2HB DPR 17 3HB DPR 17 22.940 12.596 -23.221 38 1HG DPR 17 2HG DPR 17 22.667 11.595 -20.453 39 2HG DPR 17 3HG DPR 17 23.996 11.375 -21.574 40 1HD DPR 17 2HD DPR 17 21.992 9.441 -20.886 41 2HD DPR 17 3HD DPR 17 23.251 9.263 -22.092 42 H ALA 18 H ALA 18 19.069 12.430 -24.363 43 HA ALA 18 HA ALA 18 17.595 13.151 -22.011 44 1HB ALA 18 1HB ALA 18 16.104 13.228 -24.510 45 2HB ALA 18 2HB ALA 18 16.620 14.570 -23.460 46 3HB ALA 18 3HB ALA 18 17.721 13.947 -24.713 47 H VAL 19 H VAL 19 17.167 10.824 -24.769 48 HA VAL 19 HA VAL 19 15.032 9.537 -23.281 49 HB VAL 19 HB VAL 19 14.796 8.209 -25.354 50 1HG1 VAL 19 1HG1 VAL 19 14.596 11.183 -25.259 51 2HG1 VAL 19 2HG1 VAL 19 14.365 10.397 -26.840 52 3HG1 VAL 19 3HG1 VAL 19 13.328 9.952 -25.463 53 1HG2 VAL 19 1HG2 VAL 19 17.420 9.186 -25.879 54 2HG2 VAL 19 2HG2 VAL 19 16.434 8.073 -26.859 55 3HG2 VAL 19 3HG2 VAL 19 16.342 9.828 -27.142 56 H GLN 20 H GLN 20 15.211 7.582 -22.238 57 HA GLN 20 HA GLN 20 17.792 6.257 -22.532 58 2HB GLN 20 2HB GLN 20 17.727 7.457 -20.380 59 2HG GLN 20 2HG GLN 20 15.882 5.979 -18.847 60 1HE2 GLN 20 1HE2 GLN 20 14.534 7.345 -17.673 61 2HE2 GLN 20 2HE2 GLN 20 14.683 9.069 -17.709 62 H LYS 21 H LYS 21 17.729 3.882 -21.965 63 HA LYS 21 HA LYS 21 15.090 2.806 -22.662 64 2HB LYS 21 2HB LYS 21 17.718 1.364 -23.004 65 2HG LYS 21 2HG LYS 21 15.113 1.208 -24.578 66 2HD LYS 21 2HD LYS 21 16.573 -1.250 -24.462 67 2HE LYS 21 2HE LYS 21 17.062 -0.261 -26.981 68 1HZ LYS 21 1HZ LYS 21 14.417 -0.977 -27.026 69 2HZ LYS 21 2HZ LYS 21 15.670 -2.004 -27.187 70 H TRP 22 H TRP 22 14.102 2.525 -20.678 71 HA TRP 22 HA TRP 22 15.650 1.022 -18.686 72 2HB TRP 22 2HB TRP 22 13.156 2.678 -18.275 73 HD1 TRP 22 HD TRP 22 12.611 0.373 -16.590 74 HE1 TRP 22 1HE TRP 22 13.186 -0.014 -14.044 75 HE3 TRP 22 3HE TRP 22 16.329 3.835 -16.362 76 HZ2 TRP 22 2HZ TRP 22 15.089 1.145 -12.260 77 HZ3 TRP 22 3HZ TRP 22 17.494 4.145 -14.180 78 HH2 TRP 22 HH TRP 22 16.929 2.868 -12.174 79 H HIS 23 H HIS 23 15.201 -1.138 -18.683 80 HA HIS 23 HA HIS 23 12.504 -1.908 -19.531 81 2HB HIS 23 2HB HIS 23 15.182 -2.921 -20.225 82 HD1 HIS 23 1HD HIS 23 15.712 -4.937 -18.647 83 HD2 HIS 23 2HD HIS 23 12.104 -5.291 -20.759 84 HE1 HIS 23 1HE HIS 23 14.968 -7.363 -18.389 85 H PHE 24 H PHE 24 11.242 -2.997 -18.080 86 HA PHE 24 HA PHE 24 12.608 -4.127 -15.748 87 2HB PHE 24 2HB PHE 24 9.922 -2.645 -15.744 88 HD1 PHE 24 1HD PHE 24 12.992 -3.361 -13.732 89 HD2 PHE 24 2HD PHE 24 8.785 -2.806 -13.752 90 HE1 PHE 24 1HE PHE 24 12.912 -3.878 -11.277 91 HE2 PHE 24 2HE PHE 24 8.705 -3.323 -11.298 92 HZ PHE 24 HZ PHE 24 10.770 -3.853 -10.089 93 H VAL 25 H VAL 25 12.334 -6.300 -16.210 94 HA VAL 25 HA VAL 25 9.543 -7.153 -16.506 95 HB VAL 25 HB VAL 25 11.967 -8.110 -18.035 96 1HG1 VAL 25 1HG1 VAL 25 10.628 -9.850 -18.994 97 2HG1 VAL 25 2HG1 VAL 25 10.490 -9.983 -17.224 98 3HG1 VAL 25 3HG1 VAL 25 9.164 -9.262 -18.169 99 1HG2 VAL 25 1HG2 VAL 25 11.055 -7.160 -19.919 100 2HG2 VAL 25 2HG2 VAL 25 9.387 -7.275 -19.308 101 3HG2 VAL 25 3HG2 VAL 25 10.478 -6.013 -18.687 102 H LEU 26 H LEU 26 9.536 -7.481 -14.193 103 HA LEU 26 HA LEU 26 11.178 -9.791 -13.414 104 2HB LEU 26 2HB LEU 26 11.751 -7.525 -12.391 105 HG LEU 26 HG LEU 26 10.567 -6.844 -10.417 106 1HD1 LEU 26 1HD1 LEU 26 9.876 -6.006 -12.745 107 2HD1 LEU 26 2HD1 LEU 26 8.421 -7.007 -12.527 108 3HD1 LEU 26 3HD1 LEU 26 8.776 -5.693 -11.380 109 1HD2 LEU 26 1HD2 LEU 26 9.512 -9.393 -10.386 110 2HD2 LEU 26 2HD2 LEU 26 9.045 -8.049 -9.317 111 3HD2 LEU 26 3HD2 LEU 26 8.108 -8.380 -10.794 112 HA DPR 27 HA DPR 27 7.445 -11.242 -11.451 113 1HB DPR 27 2HB DPR 27 8.180 -13.869 -11.289 114 2HB DPR 27 3HB DPR 27 8.475 -12.710 -10.008 115 1HG DPR 27 2HG DPR 27 10.390 -13.861 -11.943 116 2HG DPR 27 3HG DPR 27 10.719 -13.055 -10.422 117 1HD DPR 27 2HD DPR 27 11.017 -11.947 -13.051 118 2HD DPR 27 3HD DPR 27 11.233 -11.107 -11.528 119 H GLY 28 H GLY 28 6.220 -10.633 -13.268 120 1HA GLY 28 1HA GLY 28 6.343 -12.313 -15.595 121 2HA GLY 28 2HA GLY 28 4.959 -12.663 -14.579 122 H TYR 29 H TYR 29 6.552 -9.453 -14.997 123 HA TYR 29 HA TYR 29 4.095 -8.542 -16.339 124 2HB TYR 29 2HB TYR 29 5.051 -6.330 -15.046 125 HD1 TYR 29 1HD TYR 29 2.941 -5.554 -14.458 126 HD2 TYR 29 2HD TYR 29 4.141 -9.455 -13.174 127 HE1 TYR 29 1HE TYR 29 0.787 -5.787 -13.127 128 HE2 TYR 29 2HE TYR 29 1.983 -9.675 -11.848 129 HH TYR 29 HH TYR 29 -0.335 -6.989 -11.721 130 H LYS 30 H LYS 30 4.342 -6.942 -17.971 131 HA LYS 30 HA LYS 30 7.123 -6.651 -18.868 132 2HB LYS 30 2HB LYS 30 5.827 -6.193 -21.123 133 2HG LYS 30 2HG LYS 30 6.307 -8.906 -19.816 134 2HD LYS 30 2HD LYS 30 6.245 -8.663 -22.791 135 2HE LYS 30 2HE LYS 30 6.686 -10.789 -21.411 136 1HZ LYS 30 1HZ LYS 30 3.793 -10.418 -20.860 137 2HZ LYS 30 2HZ LYS 30 4.544 -11.853 -20.691 138 H CYS 31 H CYS 31 7.566 -4.784 -17.607 139 HA CYS 31 HA CYS 31 5.922 -2.472 -18.336 140 2HB CYS 31 2HB CYS 31 6.451 -1.462 -16.278 141 H GLU 32 H GLU 32 6.954 -1.549 -20.102 142 HA GLU 32 HA GLU 32 9.849 -1.272 -19.858 143 2HB GLU 32 2HB GLU 32 9.309 -2.673 -21.761 144 2HG GLU 32 2HG GLU 32 7.947 -1.269 -23.644 145 HE2 GLU 32 HE GLU 32 5.208 -1.913 -22.915 146 H ILE 33 H ILE 33 10.780 0.788 -20.167 147 HA ILE 33 HA ILE 33 8.834 2.955 -20.561 148 HB ILE 33 HB ILE 33 11.171 2.797 -18.659 149 2HG1 ILE 33 2HG1 ILE 33 8.379 2.232 -18.391 150 1HG2 ILE 33 1HG2 ILE 33 10.304 5.148 -18.019 151 2HG2 ILE 33 2HG2 ILE 33 11.354 4.976 -19.446 152 3HG2 ILE 33 3HG2 ILE 33 9.596 5.162 -19.651 153 1HD1 ILE 33 1HD1 ILE 33 10.893 2.169 -16.764 154 2HD1 ILE 33 2HD1 ILE 33 9.358 2.154 -15.864 155 3HD1 ILE 33 3HD1 ILE 33 9.700 0.884 -17.062 156 H LEU 34 H LEU 34 9.142 3.766 -22.565 157 HA LEU 34 HA LEU 34 11.932 4.023 -23.449 158 2HB LEU 34 2HB LEU 34 9.973 4.089 -25.578 159 HG LEU 34 HG LEU 34 12.387 2.393 -24.954 160 1HD1 LEU 34 1HD1 LEU 34 10.124 1.640 -26.599 161 2HD1 LEU 34 2HD1 LEU 34 11.611 1.774 -27.567 162 3HD1 LEU 34 3HD1 LEU 34 11.568 0.705 -26.144 163 1HD2 LEU 34 1HD2 LEU 34 12.221 4.856 -26.059 164 2HD2 LEU 34 2HD2 LEU 34 13.502 3.677 -26.432 165 3HD2 LEU 34 3HD2 LEU 34 12.101 3.843 -27.518 166 H ALA 35 H ALA 35 11.922 6.066 -22.184 167 HA ALA 35 HA ALA 35 10.468 8.165 -23.647 168 1HB ALA 35 1HB ALA 35 9.580 8.093 -21.444 169 2HB ALA 35 2HB ALA 35 11.186 7.848 -20.716 170 3HB ALA 35 3HB ALA 35 10.760 9.426 -21.422 171 H THR 12 H THR 12 -7.351 1.157 -16.352 172 HA THR 12 HA THR 12 -9.886 0.379 -15.069 173 HB THR 12 HB THR 12 -9.267 1.406 -17.877 174 HG1 THR 12 1HG THR 12 -9.862 2.824 -16.009 175 1HG2 THR 12 1HG2 THR 12 -11.000 0.168 -18.705 176 2HG2 THR 12 2HG2 THR 12 -11.232 -0.603 -17.117 177 3HG2 THR 12 3HG2 THR 12 -12.068 0.922 -17.498 178 H ALA 13 H ALA 13 -10.121 -1.739 -14.776 179 HA ALA 13 HA ALA 13 -8.583 -3.485 -16.577 180 1HB ALA 13 1HB ALA 13 -9.381 -4.116 -13.717 181 2HB ALA 13 2HB ALA 13 -8.187 -4.950 -14.740 182 3HB ALA 13 3HB ALA 13 -7.845 -3.315 -14.126 183 H LEU 14 H LEU 14 -9.799 -4.806 -17.837 184 HA LEU 14 HA LEU 14 -12.575 -5.232 -16.976 185 2HB LEU 14 2HB LEU 14 -13.139 -5.397 -19.354 186 HG LEU 14 HG LEU 14 -11.910 -2.865 -18.338 187 1HD1 LEU 14 1HD1 LEU 14 -12.998 -2.014 -20.689 188 2HD1 LEU 14 2HD1 LEU 14 -11.260 -2.275 -20.403 189 3HD1 LEU 14 3HD1 LEU 14 -12.232 -3.543 -21.187 190 1HD2 LEU 14 1HD2 LEU 14 -14.465 -4.024 -18.323 191 2HD2 LEU 14 2HD2 LEU 14 -14.011 -2.381 -17.813 192 3HD2 LEU 14 3HD2 LEU 14 -14.555 -2.675 -19.481 193 H ASN 15 H ASN 15 -13.075 -7.285 -16.440 194 HA ASN 15 HA ASN 15 -11.232 -9.324 -17.400 195 2HB ASN 15 2HB ASN 15 -11.931 -10.653 -15.440 196 1HD2 ASN 15 1HD2 ASN 15 -12.565 -8.768 -13.132 197 2HD2 ASN 15 2HD2 ASN 15 -11.072 -7.962 -12.784 198 H THR 16 H THR 16 -12.278 -9.908 -19.384 199 HA THR 16 HA THR 16 -15.003 -10.977 -19.066 200 HB THR 16 HB THR 16 -15.089 -8.817 -20.271 201 HG1 THR 16 1HG THR 16 -15.996 -9.810 -22.231 202 1HG2 THR 16 1HG2 THR 16 -13.240 -10.131 -22.324 203 2HG2 THR 16 2HG2 THR 16 -13.901 -8.478 -22.374 204 3HG2 THR 16 3HG2 THR 16 -12.679 -8.913 -21.154 205 HA DPR 17 HA DPR 17 -13.631 -14.169 -21.813 206 1HB DPR 17 2HB DPR 17 -15.509 -16.017 -21.090 207 2HB DPR 17 3HB DPR 17 -15.735 -14.888 -22.410 208 1HG DPR 17 2HG DPR 17 -16.930 -14.842 -19.706 209 2HG DPR 17 3HG DPR 17 -17.451 -13.997 -21.150 210 1HD DPR 17 2HD DPR 17 -16.035 -12.876 -18.922 211 2HD DPR 17 3HD DPR 17 -16.454 -12.060 -20.416 212 H ALA 18 H ALA 18 -12.300 -15.962 -21.566 213 HA ALA 18 HA ALA 18 -12.163 -17.104 -18.932 214 1HB ALA 18 1HB ALA 18 -11.754 -18.755 -20.465 215 2HB ALA 18 2HB ALA 18 -11.057 -17.628 -21.653 216 3HB ALA 18 3HB ALA 18 -10.078 -18.187 -20.276 217 H VAL 19 H VAL 19 -9.618 -15.681 -21.107 218 HA VAL 19 HA VAL 19 -8.130 -14.920 -18.742 219 HB VAL 19 HB VAL 19 -7.588 -14.947 -21.705 220 1HG1 VAL 19 1HG1 VAL 19 -5.811 -13.822 -19.514 221 2HG1 VAL 19 2HG1 VAL 19 -5.297 -14.144 -21.187 222 3HG1 VAL 19 3HG1 VAL 19 -6.547 -12.919 -20.860 223 1HG2 VAL 19 1HG2 VAL 19 -5.573 -16.284 -20.301 224 2HG2 VAL 19 2HG2 VAL 19 -7.078 -16.725 -19.459 225 3HG2 VAL 19 3HG2 VAL 19 -6.917 -17.021 -21.207 226 H GLN 20 H GLN 20 -7.314 -12.695 -18.456 227 HA GLN 20 HA GLN 20 -9.177 -10.777 -19.626 228 2HB GLN 20 2HB GLN 20 -9.610 -11.189 -17.200 229 2HG GLN 20 2HG GLN 20 -6.964 -11.492 -16.845 230 1HE2 GLN 20 1HE2 GLN 20 -5.480 -10.320 -15.281 231 2HE2 GLN 20 2HE2 GLN 20 -5.135 -8.655 -15.612 232 H LYS 21 H LYS 21 -8.263 -8.461 -19.638 233 HA LYS 21 HA LYS 21 -5.359 -8.581 -20.075 234 2HB LYS 21 2HB LYS 21 -6.199 -6.556 -21.711 235 2HG LYS 21 2HG LYS 21 -6.340 -9.168 -23.049 236 2HD LYS 21 2HD LYS 21 -3.868 -8.001 -23.595 237 2HE LYS 21 2HE LYS 21 -6.141 -6.796 -25.079 238 1HZ LYS 21 1HZ LYS 21 -3.676 -8.270 -25.627 239 2HZ LYS 21 2HZ LYS 21 -4.846 -8.370 -26.756 240 H TRP 22 H TRP 22 -4.121 -6.929 -19.196 241 HA TRP 22 HA TRP 22 -5.643 -4.919 -17.680 242 2HB TRP 22 2HB TRP 22 -3.435 -6.729 -16.844 243 HD1 TRP 22 HD TRP 22 -1.296 -4.971 -16.871 244 HE1 TRP 22 1HE TRP 22 -0.510 -3.052 -15.240 245 HE3 TRP 22 3HE TRP 22 -5.757 -4.452 -14.485 246 HZ2 TRP 22 2HZ TRP 22 -1.811 -1.566 -13.180 247 HZ3 TRP 22 3HZ TRP 22 -5.913 -2.744 -12.676 248 HH2 TRP 22 HH TRP 22 -4.033 -1.329 -12.013 249 H HIS 23 H HIS 23 -5.451 -3.186 -19.107 250 HA HIS 23 HA HIS 23 -2.754 -2.643 -20.096 251 2HB HIS 23 2HB HIS 23 -4.655 -2.956 -21.730 252 HD1 HIS 23 1HD HIS 23 -7.102 -2.699 -20.687 253 HD2 HIS 23 2HD HIS 23 -5.132 0.893 -21.584 254 HE1 HIS 23 1HE HIS 23 -8.889 -0.879 -20.665 255 H PHE 24 H PHE 24 -1.769 -1.526 -18.421 256 HA PHE 24 HA PHE 24 -3.237 0.818 -17.442 257 2HB PHE 24 2HB PHE 24 -0.831 -0.699 -16.269 258 HD1 PHE 24 1HD PHE 24 0.035 0.061 -14.239 259 HD2 PHE 24 2HD PHE 24 -3.647 1.643 -15.631 260 HE1 PHE 24 1HE PHE 24 0.074 1.770 -12.400 261 HE2 PHE 24 2HE PHE 24 -3.609 3.352 -13.793 262 HZ PHE 24 HZ PHE 24 -1.749 3.395 -12.199 263 H VAL 25 H VAL 25 -2.490 2.792 -18.054 264 HA VAL 25 HA VAL 25 0.327 2.937 -18.875 265 HB VAL 25 HB VAL 25 -0.355 4.558 -20.578 266 1HG1 VAL 25 1HG1 VAL 25 -0.493 1.835 -20.731 267 2HG1 VAL 25 2HG1 VAL 25 -2.118 2.296 -21.294 268 3HG1 VAL 25 3HG1 VAL 25 -0.675 2.938 -22.116 269 1HG2 VAL 25 1HG2 VAL 25 -2.332 5.552 -19.824 270 2HG2 VAL 25 2HG2 VAL 25 -2.878 4.528 -21.174 271 3HG2 VAL 25 3HG2 VAL 25 -3.113 3.985 -19.494 272 H LEU 26 H LEU 26 1.512 4.597 -17.985 273 HA LEU 26 HA LEU 26 -0.004 6.613 -16.494 274 2HB LEU 26 2HB LEU 26 2.393 6.125 -15.100 275 HG LEU 26 HG LEU 26 -0.400 5.213 -14.357 276 1HD1 LEU 26 1HD1 LEU 26 1.338 5.988 -12.167 277 2HD1 LEU 26 2HD1 LEU 26 0.409 4.490 -12.418 278 3HD1 LEU 26 3HD1 LEU 26 2.038 4.654 -13.117 279 1HD2 LEU 26 1HD2 LEU 26 1.003 7.859 -13.931 280 2HD2 LEU 26 2HD2 LEU 26 -0.519 7.547 -14.801 281 3HD2 LEU 26 3HD2 LEU 26 -0.447 7.349 -13.033 282 HA DPR 27 HA DPR 27 2.650 9.302 -18.585 283 1HB DPR 27 2HB DPR 27 1.547 9.621 -21.066 284 2HB DPR 27 3HB DPR 27 0.925 10.413 -19.632 285 1HG DPR 27 2HG DPR 27 -0.182 8.097 -21.096 286 2HG DPR 27 3HG DPR 27 -0.980 9.154 -19.949 287 1HD DPR 27 2HD DPR 27 -0.026 6.493 -19.457 288 2HD DPR 27 3HD DPR 27 -0.719 7.592 -18.281 289 H GLY 28 H GLY 28 4.731 8.805 -18.857 290 1HA GLY 28 1HA GLY 28 5.463 7.687 -21.409 291 2HA GLY 28 2HA GLY 28 6.527 8.211 -20.118 292 H TYR 29 H TYR 29 5.309 6.627 -17.967 293 HA TYR 29 HA TYR 29 6.583 4.116 -18.598 294 2HB TYR 29 2HB TYR 29 5.741 3.830 -16.080 295 HD1 TYR 29 1HD TYR 29 7.344 6.939 -17.468 296 HD2 TYR 29 2HD TYR 29 7.695 3.555 -14.874 297 HE1 TYR 29 1HE TYR 29 9.700 7.656 -16.840 298 HE2 TYR 29 2HE TYR 29 10.050 4.283 -14.254 299 HH TYR 29 HH TYR 29 11.769 6.510 -16.017 300 H LYS 30 H LYS 30 5.476 2.520 -19.617 301 HA LYS 30 HA LYS 30 2.686 2.139 -18.787 302 2HB LYS 30 2HB LYS 30 2.246 1.385 -21.144 303 2HG LYS 30 2HG LYS 30 2.436 4.031 -20.066 304 2HD LYS 30 2HD LYS 30 3.904 3.691 -22.604 305 2HE LYS 30 2HE LYS 30 1.898 5.974 -22.501 306 1HZ LYS 30 1HZ LYS 30 2.543 6.196 -24.763 307 2HZ LYS 30 2HZ LYS 30 3.947 5.983 -23.967 308 H CYS 31 H CYS 31 2.004 -0.027 -18.534 309 HA CYS 31 HA CYS 31 4.044 -2.049 -18.990 310 2HB CYS 31 2HB CYS 31 2.676 -1.619 -16.326 311 H GLU 32 H GLU 32 3.112 -4.061 -19.572 312 HA GLU 32 HA GLU 32 0.212 -4.182 -19.378 313 2HB GLU 32 2HB GLU 32 1.856 -4.871 -21.855 314 2HG GLU 32 2HG GLU 32 -1.108 -5.129 -21.191 315 HE2 GLU 32 HE GLU 32 -1.820 -3.603 -23.067 316 H ILE 33 H ILE 33 -0.353 -5.986 -18.247 317 HA ILE 33 HA ILE 33 1.379 -8.335 -18.562 318 HB ILE 33 HB ILE 33 1.538 -6.962 -16.367 319 2HG1 ILE 33 2HG1 ILE 33 2.393 -8.822 -15.354 320 1HG2 ILE 33 1HG2 ILE 33 -0.863 -6.737 -15.977 321 2HG2 ILE 33 2HG2 ILE 33 -1.021 -8.505 -15.860 322 3HG2 ILE 33 3HG2 ILE 33 -0.074 -7.614 -14.645 323 1HD1 ILE 33 1HD1 ILE 33 1.325 -11.140 -15.700 324 2HD1 ILE 33 2HD1 ILE 33 0.397 -9.988 -14.712 325 3HD1 ILE 33 3HD1 ILE 33 -0.064 -10.279 -16.405 326 H LEU 34 H LEU 34 0.333 -10.118 -19.279 327 HA LEU 34 HA LEU 34 -2.594 -10.101 -19.001 328 2HB LEU 34 2HB LEU 34 -1.580 -9.707 -21.317 329 HG LEU 34 HG LEU 34 -1.074 -11.629 -22.660 330 1HD1 LEU 34 1HD1 LEU 34 1.135 -12.093 -21.963 331 2HD1 LEU 34 2HD1 LEU 34 0.766 -10.457 -21.368 332 3HD1 LEU 34 3HD1 LEU 34 0.733 -11.840 -20.247 333 1HD2 LEU 34 1HD2 LEU 34 -0.748 -13.563 -20.458 334 2HD2 LEU 34 2HD2 LEU 34 -2.430 -13.109 -20.823 335 3HD2 LEU 34 3HD2 LEU 34 -1.391 -13.781 -22.103 336 H ALA 35 H ALA 35 -3.608 -12.097 -18.486 337 HA ALA 35 HA ALA 35 -1.712 -14.093 -17.455 338 1HB ALA 35 1HB ALA 35 -3.234 -12.749 -15.856 339 2HB ALA 35 2HB ALA 35 -4.575 -13.698 -16.542 340 3HB ALA 35 3HB ALA 35 -3.242 -14.523 -15.700 Start of MODEL 5 1 H THR 12 H THR 12 19.437 -4.490 -16.653 2 HA THR 12 HA THR 12 17.352 -4.799 -18.573 3 HB THR 12 HB THR 12 15.939 -3.956 -16.765 4 HG1 THR 12 1HG THR 12 16.902 -1.738 -18.425 5 1HG2 THR 12 1HG2 THR 12 18.333 -2.370 -16.126 6 2HG2 THR 12 2HG2 THR 12 16.898 -1.334 -16.305 7 3HG2 THR 12 3HG2 THR 12 16.890 -2.669 -15.128 8 H ALA 13 H ALA 13 18.323 -4.247 -20.411 9 HA ALA 13 HA ALA 13 19.697 -1.722 -20.547 10 1HB ALA 13 1HB ALA 13 21.208 -4.294 -21.154 11 2HB ALA 13 2HB ALA 13 21.830 -2.630 -21.262 12 3HB ALA 13 3HB ALA 13 21.427 -3.327 -19.675 13 H LEU 14 H LEU 14 18.306 -1.014 -22.145 14 HA LEU 14 HA LEU 14 18.434 -2.541 -24.637 15 2HB LEU 14 2HB LEU 14 15.930 -1.445 -23.351 16 HG LEU 14 HG LEU 14 15.896 -1.176 -25.843 17 1HD1 LEU 14 1HD1 LEU 14 16.114 -4.199 -25.861 18 2HD1 LEU 14 2HD1 LEU 14 15.805 -3.150 -27.266 19 3HD1 LEU 14 3HD1 LEU 14 17.365 -3.060 -26.411 20 1HD2 LEU 14 1HD2 LEU 14 14.007 -3.049 -24.429 21 2HD2 LEU 14 2HD2 LEU 14 13.790 -1.335 -24.854 22 3HD2 LEU 14 3HD2 LEU 14 13.755 -2.579 -26.127 23 H ASN 15 H ASN 15 20.242 -0.735 -24.562 24 HA ASN 15 HA ASN 15 19.077 1.463 -26.027 25 2HB ASN 15 2HB ASN 15 19.312 2.364 -23.736 26 1HD2 ASN 15 1HD2 ASN 15 19.931 1.214 -22.019 27 2HD2 ASN 15 2HD2 ASN 15 21.567 0.888 -21.555 28 H THR 16 H THR 16 20.448 2.047 -27.776 29 HA THR 16 HA THR 16 23.210 1.064 -27.695 30 HB THR 16 HB THR 16 21.935 -0.663 -28.883 31 HG1 THR 16 1HG THR 16 23.618 -0.446 -30.301 32 1HG2 THR 16 1HG2 THR 16 20.735 -0.003 -31.027 33 2HG2 THR 16 2HG2 THR 16 19.906 0.556 -29.554 34 3HG2 THR 16 3HG2 THR 16 20.871 1.698 -30.520 35 HA DPR 17 HA DPR 17 23.977 5.021 -29.197 36 1HB DPR 17 2HB DPR 17 23.706 6.731 -27.083 37 2HB DPR 17 3HB DPR 17 25.106 5.702 -27.310 38 1HG DPR 17 2HG DPR 17 22.870 5.396 -25.400 39 2HG DPR 17 3HG DPR 17 24.454 4.649 -25.364 40 1HD DPR 17 2HD DPR 17 21.990 3.410 -26.151 41 2HD DPR 17 3HD DPR 17 23.591 2.699 -26.225 42 H ALA 18 H ALA 18 21.766 4.428 -30.357 43 HA ALA 18 HA ALA 18 20.619 6.720 -31.111 44 1HB ALA 18 1HB ALA 18 19.502 3.923 -30.799 45 2HB ALA 18 2HB ALA 18 18.524 5.234 -31.500 46 3HB ALA 18 3HB ALA 18 20.050 4.751 -32.276 47 H VAL 19 H VAL 19 18.972 4.566 -28.687 48 HA VAL 19 HA VAL 19 18.113 7.022 -27.327 49 HB VAL 19 HB VAL 19 15.966 5.896 -26.883 50 1HG1 VAL 19 1HG1 VAL 19 15.759 7.421 -28.611 51 2HG1 VAL 19 2HG1 VAL 19 16.858 6.521 -29.684 52 3HG1 VAL 19 3HG1 VAL 19 15.206 5.923 -29.398 53 1HG2 VAL 19 1HG2 VAL 19 17.327 3.606 -27.867 54 2HG2 VAL 19 2HG2 VAL 19 15.654 3.723 -27.269 55 3HG2 VAL 19 3HG2 VAL 19 15.999 3.953 -29.000 56 H GLN 20 H GLN 20 17.234 6.369 -25.013 57 HA GLN 20 HA GLN 20 19.039 4.320 -23.989 58 2HB GLN 20 2HB GLN 20 19.996 6.418 -23.322 59 2HG GLN 20 2HG GLN 20 17.297 7.234 -22.164 60 1HE2 GLN 20 1HE2 GLN 20 17.451 9.834 -22.632 61 2HE2 GLN 20 2HE2 GLN 20 18.806 10.577 -21.851 62 H LYS 21 H LYS 21 17.212 2.817 -24.174 63 HA LYS 21 HA LYS 21 15.077 3.387 -22.242 64 2HB LYS 21 2HB LYS 21 15.126 1.580 -24.676 65 2HG LYS 21 2HG LYS 21 13.261 1.806 -22.331 66 2HD LYS 21 2HD LYS 21 12.176 2.701 -24.613 67 2HE LYS 21 2HE LYS 21 13.025 0.348 -25.621 68 1HZ LYS 21 1HZ LYS 21 10.471 -0.716 -25.417 69 2HZ LYS 21 2HZ LYS 21 11.835 -1.356 -24.799 70 H TRP 22 H TRP 22 14.421 1.678 -20.779 71 HA TRP 22 HA TRP 22 16.475 -0.397 -20.454 72 2HB TRP 22 2HB TRP 22 17.131 0.866 -18.703 73 HD1 TRP 22 HD TRP 22 13.387 1.786 -19.139 74 HE1 TRP 22 1HE TRP 22 12.888 4.186 -18.162 75 HE3 TRP 22 3HE TRP 22 17.998 2.498 -17.117 76 HZ2 TRP 22 2HZ TRP 22 14.443 6.070 -16.688 77 HZ3 TRP 22 3HZ TRP 22 18.425 4.645 -15.926 78 HH2 TRP 22 HH TRP 22 16.737 6.398 -15.694 79 H HIS 23 H HIS 23 15.557 -2.405 -20.528 80 HA HIS 23 HA HIS 23 12.661 -2.521 -20.210 81 2HB HIS 23 2HB HIS 23 14.445 -4.688 -21.322 82 HD1 HIS 23 1HD HIS 23 10.980 -3.056 -21.669 83 HD2 HIS 23 2HD HIS 23 12.848 -6.801 -21.950 84 HE1 HIS 23 1HE HIS 23 9.129 -4.743 -22.153 85 H PHE 24 H PHE 24 11.880 -3.161 -18.271 86 HA PHE 24 HA PHE 24 13.585 -4.968 -16.705 87 2HB PHE 24 2HB PHE 24 11.722 -2.629 -16.060 88 HD1 PHE 24 1HD PHE 24 13.990 -4.282 -13.699 89 HD2 PHE 24 2HD PHE 24 9.940 -3.653 -14.796 90 HE1 PHE 24 1HE PHE 24 13.248 -5.202 -11.485 91 HE2 PHE 24 2HE PHE 24 9.197 -4.572 -12.582 92 HZ PHE 24 HZ PHE 24 10.860 -5.336 -10.953 93 H VAL 25 H VAL 25 12.740 -6.995 -17.069 94 HA VAL 25 HA VAL 25 9.875 -7.277 -16.509 95 HB VAL 25 HB VAL 25 9.752 -8.993 -18.243 96 1HG1 VAL 25 1HG1 VAL 25 9.365 -7.524 -19.965 97 2HG1 VAL 25 2HG1 VAL 25 9.492 -6.375 -18.611 98 3HG1 VAL 25 3HG1 VAL 25 10.881 -6.630 -19.694 99 1HG2 VAL 25 1HG2 VAL 25 12.616 -8.778 -18.189 100 2HG2 VAL 25 2HG2 VAL 25 11.594 -9.955 -19.049 101 3HG2 VAL 25 3HG2 VAL 25 12.036 -8.420 -19.834 102 H LEU 26 H LEU 26 9.533 -8.585 -14.793 103 HA LEU 26 HA LEU 26 11.049 -10.970 -14.467 104 2HB LEU 26 2HB LEU 26 12.547 -9.085 -13.598 105 HG LEU 26 HG LEU 26 10.507 -8.186 -12.121 106 1HD1 LEU 26 1HD1 LEU 26 10.222 -9.094 -10.053 107 2HD1 LEU 26 2HD1 LEU 26 10.642 -10.570 -10.954 108 3HD1 LEU 26 3HD1 LEU 26 11.879 -9.741 -9.979 109 1HD2 LEU 26 1HD2 LEU 26 13.356 -8.251 -11.092 110 2HD2 LEU 26 2HD2 LEU 26 12.765 -7.186 -12.389 111 3HD2 LEU 26 3HD2 LEU 26 12.108 -7.031 -10.743 112 HA DPR 27 HA DPR 27 7.861 -11.463 -11.328 113 1HB DPR 27 2HB DPR 27 8.045 -14.178 -11.074 114 2HB DPR 27 3HB DPR 27 8.907 -13.058 -10.037 115 1HG DPR 27 2HG DPR 27 9.954 -14.710 -12.254 116 2HG DPR 27 3HG DPR 27 10.834 -13.928 -10.956 117 1HD DPR 27 2HD DPR 27 10.650 -13.047 -13.679 118 2HD DPR 27 3HD DPR 27 11.433 -12.206 -12.356 119 H GLY 28 H GLY 28 6.960 -10.658 -13.558 120 1HA GLY 28 1HA GLY 28 5.889 -12.567 -15.301 121 2HA GLY 28 2HA GLY 28 4.701 -12.265 -14.046 122 H TYR 29 H TYR 29 5.332 -9.485 -13.496 123 HA TYR 29 HA TYR 29 3.920 -8.311 -15.697 124 2HB TYR 29 2HB TYR 29 4.431 -6.257 -14.075 125 HD1 TYR 29 1HD TYR 29 3.517 -9.618 -12.654 126 HD2 TYR 29 2HD TYR 29 2.243 -5.651 -13.625 127 HE1 TYR 29 1HE TYR 29 1.222 -10.107 -11.674 128 HE2 TYR 29 2HE TYR 29 -0.047 -6.153 -12.641 129 HH TYR 29 HH TYR 29 -0.669 -8.432 -10.598 130 H LYS 30 H LYS 30 4.696 -7.004 -17.315 131 HA LYS 30 HA LYS 30 7.575 -6.425 -17.198 132 2HB LYS 30 2HB LYS 30 7.080 -8.123 -18.873 133 2HG LYS 30 2HG LYS 30 5.473 -6.121 -20.463 134 2HD LYS 30 2HD LYS 30 5.447 -9.170 -20.241 135 2HE LYS 30 2HE LYS 30 3.798 -7.169 -21.760 136 1HZ LYS 30 1HZ LYS 30 3.795 -9.654 -23.104 137 2HZ LYS 30 2HZ LYS 30 4.085 -8.179 -23.730 138 H CYS 31 H CYS 31 8.003 -4.310 -16.914 139 HA CYS 31 HA CYS 31 5.978 -2.433 -17.896 140 2HB CYS 31 2HB CYS 31 6.696 -0.888 -16.177 141 H GLU 32 H GLU 32 6.648 -1.142 -19.583 142 HA GLU 32 HA GLU 32 9.535 -0.942 -19.958 143 2HB GLU 32 2HB GLU 32 8.536 -2.304 -21.728 144 2HG GLU 32 2HG GLU 32 6.802 0.116 -22.394 145 HE2 GLU 32 HE GLU 32 6.107 -1.384 -25.314 146 H ILE 33 H ILE 33 10.267 1.089 -19.521 147 HA ILE 33 HA ILE 33 8.441 3.305 -20.149 148 HB ILE 33 HB ILE 33 10.394 3.000 -17.869 149 2HG1 ILE 33 2HG1 ILE 33 7.696 2.262 -18.109 150 1HG2 ILE 33 1HG2 ILE 33 8.667 5.420 -18.367 151 2HG2 ILE 33 2HG2 ILE 33 10.039 5.228 -17.248 152 3HG2 ILE 33 3HG2 ILE 33 10.324 5.296 -19.004 153 1HD1 ILE 33 1HD1 ILE 33 9.538 2.773 -15.736 154 2HD1 ILE 33 2HD1 ILE 33 7.925 2.037 -15.571 155 3HD1 ILE 33 3HD1 ILE 33 9.184 1.216 -16.524 156 H LEU 34 H LEU 34 9.373 5.198 -21.087 157 HA LEU 34 HA LEU 34 11.979 4.639 -22.313 158 2HB LEU 34 2HB LEU 34 10.239 6.769 -23.399 159 HG LEU 34 HG LEU 34 12.268 4.924 -24.394 160 1HD1 LEU 34 1HD1 LEU 34 10.306 3.725 -25.270 161 2HD1 LEU 34 2HD1 LEU 34 9.758 5.219 -26.068 162 3HD1 LEU 34 3HD1 LEU 34 11.286 4.452 -26.565 163 1HD2 LEU 34 1HD2 LEU 34 11.622 6.876 -26.318 164 2HD2 LEU 34 2HD2 LEU 34 11.392 7.648 -24.731 165 3HD2 LEU 34 3HD2 LEU 34 12.954 6.898 -25.137 166 H ALA 35 H ALA 35 13.608 6.256 -22.311 167 HA ALA 35 HA ALA 35 13.080 8.436 -20.409 168 1HB ALA 35 1HB ALA 35 14.918 7.864 -19.219 169 2HB ALA 35 2HB ALA 35 14.787 6.289 -20.040 170 3HB ALA 35 3HB ALA 35 15.874 7.542 -20.686 171 H THR 12 H THR 12 -7.512 -0.585 -17.234 172 HA THR 12 HA THR 12 -9.815 -1.296 -15.538 173 HB THR 12 HB THR 12 -9.515 -1.034 -18.575 174 HG1 THR 12 1HG THR 12 -11.402 0.500 -17.810 175 1HG2 THR 12 1HG2 THR 12 -11.742 -1.775 -18.817 176 2HG2 THR 12 2HG2 THR 12 -11.156 -2.884 -17.556 177 3HG2 THR 12 3HG2 THR 12 -12.132 -1.464 -17.109 178 H ALA 13 H ALA 13 -10.037 -3.352 -14.900 179 HA ALA 13 HA ALA 13 -8.399 -5.334 -16.328 180 1HB ALA 13 1HB ALA 13 -8.325 -6.481 -14.042 181 2HB ALA 13 2HB ALA 13 -7.379 -4.981 -14.196 182 3HB ALA 13 3HB ALA 13 -8.952 -4.959 -13.366 183 H LEU 14 H LEU 14 -10.171 -5.850 -17.738 184 HA LEU 14 HA LEU 14 -12.333 -7.252 -16.328 185 2HB LEU 14 2HB LEU 14 -12.905 -5.027 -17.461 186 HG LEU 14 HG LEU 14 -13.396 -4.960 -19.749 187 1HD1 LEU 14 1HD1 LEU 14 -10.688 -6.305 -19.524 188 2HD1 LEU 14 2HD1 LEU 14 -11.260 -5.311 -20.886 189 3HD1 LEU 14 3HD1 LEU 14 -11.028 -4.574 -19.283 190 1HD2 LEU 14 1HD2 LEU 14 -13.515 -6.748 -21.246 191 2HD2 LEU 14 2HD2 LEU 14 -12.541 -7.813 -20.206 192 3HD2 LEU 14 3HD2 LEU 14 -14.209 -7.399 -19.742 193 H ASN 15 H ASN 15 -13.389 -8.953 -17.834 194 HA ASN 15 HA ASN 15 -11.438 -10.018 -19.683 195 2HB ASN 15 2HB ASN 15 -10.911 -11.235 -17.633 196 1HD2 ASN 15 1HD2 ASN 15 -11.682 -12.928 -16.093 197 2HD2 ASN 15 2HD2 ASN 15 -13.195 -12.676 -15.288 198 H THR 16 H THR 16 -12.494 -11.803 -21.067 199 HA THR 16 HA THR 16 -15.424 -11.710 -20.994 200 HB THR 16 HB THR 16 -15.450 -11.245 -23.426 201 HG1 THR 16 1HG THR 16 -12.554 -11.068 -22.971 202 1HG2 THR 16 1HG2 THR 16 -15.238 -9.221 -21.909 203 2HG2 THR 16 2HG2 THR 16 -13.470 -9.341 -22.068 204 3HG2 THR 16 3HG2 THR 16 -14.470 -8.983 -23.496 205 HA DPR 17 HA DPR 17 -14.939 -15.940 -21.580 206 1HB DPR 17 2HB DPR 17 -14.212 -16.974 -19.157 207 2HB DPR 17 3HB DPR 17 -15.852 -16.489 -19.538 208 1HG DPR 17 2HG DPR 17 -13.857 -15.109 -17.849 209 2HG DPR 17 3HG DPR 17 -15.594 -14.882 -17.905 210 1HD DPR 17 2HD DPR 17 -13.603 -13.170 -19.059 211 2HD DPR 17 3HD DPR 17 -15.341 -13.008 -19.212 212 H ALA 18 H ALA 18 -12.959 -14.934 -22.910 213 HA ALA 18 HA ALA 18 -11.150 -16.922 -23.161 214 1HB ALA 18 1HB ALA 18 -10.890 -15.452 -24.871 215 2HB ALA 18 2HB ALA 18 -11.312 -14.049 -23.860 216 3HB ALA 18 3HB ALA 18 -9.659 -14.710 -23.821 217 H VAL 19 H VAL 19 -9.749 -13.857 -21.968 218 HA VAL 19 HA VAL 19 -8.897 -15.145 -19.516 219 HB VAL 19 HB VAL 19 -7.268 -15.735 -21.354 220 1HG1 VAL 19 1HG1 VAL 19 -7.189 -12.785 -21.530 221 2HG1 VAL 19 2HG1 VAL 19 -5.598 -13.582 -21.514 222 3HG1 VAL 19 3HG1 VAL 19 -6.802 -14.022 -22.750 223 1HG2 VAL 19 1HG2 VAL 19 -6.878 -15.267 -18.709 224 2HG2 VAL 19 2HG2 VAL 19 -5.617 -15.871 -19.810 225 3HG2 VAL 19 3HG2 VAL 19 -5.696 -14.138 -19.413 226 H GLN 20 H GLN 20 -7.509 -13.440 -18.216 227 HA GLN 20 HA GLN 20 -8.876 -10.899 -18.621 228 2HB GLN 20 2HB GLN 20 -7.605 -11.901 -16.041 229 2HG GLN 20 2HG GLN 20 -9.904 -9.946 -16.359 230 1HE2 GLN 20 1HE2 GLN 20 -7.509 -8.516 -14.751 231 2HE2 GLN 20 2HE2 GLN 20 -7.808 -9.016 -13.119 232 H LYS 21 H LYS 21 -7.648 -9.204 -19.314 233 HA LYS 21 HA LYS 21 -4.792 -9.282 -18.644 234 2HB LYS 21 2HB LYS 21 -5.111 -9.969 -20.983 235 2HG LYS 21 2HG LYS 21 -6.017 -7.193 -21.705 236 2HD LYS 21 2HD LYS 21 -7.071 -9.736 -22.916 237 2HE LYS 21 2HE LYS 21 -6.176 -8.112 -24.942 238 1HZ LYS 21 1HZ LYS 21 -8.625 -7.107 -24.422 239 2HZ LYS 21 2HZ LYS 21 -8.377 -8.526 -25.181 240 H TRP 22 H TRP 22 -3.864 -7.309 -18.041 241 HA TRP 22 HA TRP 22 -5.798 -5.105 -17.800 242 2HB TRP 22 2HB TRP 22 -4.041 -6.388 -15.839 243 HD1 TRP 22 HD TRP 22 -1.687 -4.898 -16.063 244 HE1 TRP 22 1HE TRP 22 -0.951 -2.567 -15.070 245 HE3 TRP 22 3HE TRP 22 -6.389 -3.263 -15.024 246 HZ2 TRP 22 2HZ TRP 22 -2.385 -0.350 -13.986 247 HZ3 TRP 22 3HZ TRP 22 -6.633 -1.004 -13.998 248 HH2 TRP 22 HH TRP 22 -4.727 0.437 -13.480 249 H HIS 23 H HIS 23 -5.293 -3.691 -19.438 250 HA HIS 23 HA HIS 23 -2.436 -3.193 -19.866 251 2HB HIS 23 2HB HIS 23 -4.762 -3.250 -21.787 252 HD1 HIS 23 1HD HIS 23 -4.749 -1.648 -23.692 253 HD2 HIS 23 2HD HIS 23 -0.959 -2.022 -21.934 254 HE1 HIS 23 1HE HIS 23 -3.219 -0.029 -24.938 255 H PHE 24 H PHE 24 -2.139 -1.501 -18.403 256 HA PHE 24 HA PHE 24 -3.874 0.825 -18.857 257 2HB PHE 24 2HB PHE 24 -2.194 -0.048 -16.429 258 HD1 PHE 24 1HD PHE 24 -1.414 2.428 -16.549 259 HD2 PHE 24 2HD PHE 24 -5.412 1.254 -15.751 260 HE1 PHE 24 1HE PHE 24 -1.862 4.665 -15.502 261 HE2 PHE 24 2HE PHE 24 -5.861 3.490 -14.704 262 HZ PHE 24 HZ PHE 24 -4.081 5.169 -14.592 263 H VAL 25 H VAL 25 -2.925 2.759 -19.432 264 HA VAL 25 HA VAL 25 0.012 2.812 -19.376 265 HB VAL 25 HB VAL 25 0.014 3.920 -21.498 266 1HG1 VAL 25 1HG1 VAL 25 -0.540 1.270 -21.148 267 2HG1 VAL 25 2HG1 VAL 25 -1.860 1.756 -22.239 268 3HG1 VAL 25 3HG1 VAL 25 -0.166 2.027 -22.715 269 1HG2 VAL 25 1HG2 VAL 25 -2.377 4.939 -20.965 270 2HG2 VAL 25 2HG2 VAL 25 -1.808 4.733 -22.639 271 3HG2 VAL 25 3HG2 VAL 25 -2.927 3.546 -21.928 272 H LEU 26 H LEU 26 0.971 4.853 -18.905 273 HA LEU 26 HA LEU 26 -0.913 6.953 -18.139 274 2HB LEU 26 2HB LEU 26 1.318 6.724 -16.292 275 HG LEU 26 HG LEU 26 -1.686 6.702 -15.891 276 1HD1 LEU 26 1HD1 LEU 26 -1.029 5.645 -13.970 277 2HD1 LEU 26 2HD1 LEU 26 0.581 6.406 -13.963 278 3HD1 LEU 26 3HD1 LEU 26 -0.849 7.345 -13.472 279 1HD2 LEU 26 1HD2 LEU 26 -0.819 9.003 -14.772 280 2HD2 LEU 26 2HD2 LEU 26 0.357 8.834 -16.097 281 3HD2 LEU 26 3HD2 LEU 26 -1.386 8.864 -16.454 282 HA DPR 27 HA DPR 27 1.995 9.362 -20.238 283 1HB DPR 27 2HB DPR 27 1.475 9.003 -22.897 284 2HB DPR 27 3HB DPR 27 0.499 10.023 -21.858 285 1HG DPR 27 2HG DPR 27 -0.116 7.334 -22.923 286 2HG DPR 27 3HG DPR 27 -1.211 8.527 -22.256 287 1HD DPR 27 2HD DPR 27 -0.252 6.160 -20.951 288 2HD DPR 27 3HD DPR 27 -1.256 7.413 -20.247 289 H GLY 28 H GLY 28 4.064 8.870 -19.758 290 1HA GLY 28 1HA GLY 28 5.465 7.397 -21.821 291 2HA GLY 28 2HA GLY 28 6.151 8.238 -20.445 292 H TYR 29 H TYR 29 4.832 7.101 -18.254 293 HA TYR 29 HA TYR 29 6.114 4.529 -18.184 294 2HB TYR 29 2HB TYR 29 4.643 4.933 -15.830 295 HD1 TYR 29 1HD TYR 29 6.358 3.953 -14.573 296 HD2 TYR 29 2HD TYR 29 7.240 7.364 -16.999 297 HE1 TYR 29 1HE TYR 29 8.694 4.066 -13.576 298 HE2 TYR 29 2HE TYR 29 9.573 7.467 -15.995 299 HH TYR 29 HH TYR 29 10.463 6.407 -13.399 300 H LYS 30 H LYS 30 5.028 2.956 -19.350 301 HA LYS 30 HA LYS 30 2.279 2.459 -18.458 302 2HB LYS 30 2HB LYS 30 2.086 3.472 -20.631 303 2HG LYS 30 2HG LYS 30 3.913 1.277 -21.700 304 2HD LYS 30 2HD LYS 30 2.043 2.902 -22.987 305 2HE LYS 30 2HE LYS 30 4.420 4.486 -22.537 306 1HZ LYS 30 1HZ LYS 30 5.366 4.613 -24.579 307 2HZ LYS 30 2HZ LYS 30 4.745 3.131 -24.846 308 H CYS 31 H CYS 31 1.812 0.334 -17.951 309 HA CYS 31 HA CYS 31 3.910 -1.603 -18.577 310 2HB CYS 31 2HB CYS 31 2.530 -1.426 -15.893 311 H GLU 32 H GLU 32 3.063 -3.530 -19.378 312 HA GLU 32 HA GLU 32 0.173 -3.825 -19.100 313 2HB GLU 32 2HB GLU 32 0.736 -3.195 -21.405 314 2HG GLU 32 2HG GLU 32 2.449 -5.721 -21.466 315 HE2 GLU 32 HE GLU 32 3.502 -3.788 -24.402 316 H ILE 33 H ILE 33 -0.492 -5.716 -18.155 317 HA ILE 33 HA ILE 33 1.424 -7.939 -18.172 318 HB ILE 33 HB ILE 33 1.372 -6.642 -16.016 319 2HG1 ILE 33 2HG1 ILE 33 1.553 -8.601 -14.666 320 1HG2 ILE 33 1HG2 ILE 33 -1.002 -7.922 -14.978 321 2HG2 ILE 33 2HG2 ILE 33 -0.519 -6.209 -14.937 322 3HG2 ILE 33 3HG2 ILE 33 -1.405 -6.850 -16.341 323 1HD1 ILE 33 1HD1 ILE 33 0.684 -10.797 -15.412 324 2HD1 ILE 33 2HD1 ILE 33 -0.646 -9.631 -15.214 325 3HD1 ILE 33 3HD1 ILE 33 -0.046 -10.028 -16.842 326 H LEU 34 H LEU 34 0.581 -9.645 -19.228 327 HA LEU 34 HA LEU 34 -2.345 -9.826 -19.314 328 2HB LEU 34 2HB LEU 34 -1.058 -9.518 -21.445 329 HG LEU 34 HG LEU 34 0.474 -11.719 -20.556 330 1HD1 LEU 34 1HD1 LEU 34 -1.532 -13.042 -21.464 331 2HD1 LEU 34 2HD1 LEU 34 -0.971 -12.528 -23.073 332 3HD1 LEU 34 3HD1 LEU 34 0.095 -13.495 -22.027 333 1HD2 LEU 34 1HD2 LEU 34 0.418 -10.680 -23.388 334 2HD2 LEU 34 2HD2 LEU 34 1.044 -9.709 -22.034 335 3HD2 LEU 34 3HD2 LEU 34 1.801 -11.269 -22.435 336 H ALA 35 H ALA 35 -3.368 -11.875 -18.939 337 HA ALA 35 HA ALA 35 -1.639 -13.716 -17.431 338 1HB ALA 35 1HB ALA 35 -4.291 -14.141 -16.641 339 2HB ALA 35 2HB ALA 35 -3.044 -13.261 -15.728 340 3HB ALA 35 3HB ALA 35 -4.159 -12.373 -16.794 Start of MODEL 6 1 H THR 12 H THR 12 17.341 -3.533 -19.057 2 HA THR 12 HA THR 12 20.199 -2.820 -18.951 3 HB THR 12 HB THR 12 18.420 -3.597 -21.318 4 HG1 THR 12 1HG THR 12 20.326 -5.149 -21.399 5 1HG2 THR 12 1HG2 THR 12 20.355 -3.192 -22.746 6 2HG2 THR 12 2HG2 THR 12 20.051 -1.685 -21.848 7 3HG2 THR 12 3HG2 THR 12 21.366 -2.774 -21.343 8 H ALA 13 H ALA 13 20.745 -0.702 -19.177 9 HA ALA 13 HA ALA 13 18.684 1.137 -20.085 10 1HB ALA 13 1HB ALA 13 18.133 1.743 -17.989 11 2HB ALA 13 2HB ALA 13 19.415 0.720 -17.295 12 3HB ALA 13 3HB ALA 13 19.786 2.382 -17.814 13 H LEU 14 H LEU 14 19.554 2.891 -21.180 14 HA LEU 14 HA LEU 14 22.355 3.494 -20.834 15 2HB LEU 14 2HB LEU 14 22.555 1.703 -22.389 16 HG LEU 14 HG LEU 14 20.078 2.412 -23.439 17 1HD1 LEU 14 1HD1 LEU 14 21.020 2.597 -25.964 18 2HD1 LEU 14 2HD1 LEU 14 20.525 3.995 -24.980 19 3HD1 LEU 14 3HD1 LEU 14 22.246 3.554 -25.100 20 1HD2 LEU 14 1HD2 LEU 14 21.930 0.652 -25.001 21 2HD2 LEU 14 2HD2 LEU 14 21.491 0.200 -23.336 22 3HD2 LEU 14 3HD2 LEU 14 20.220 0.417 -24.565 23 H ASN 15 H ASN 15 21.392 5.453 -19.989 24 HA ASN 15 HA ASN 15 19.515 6.957 -21.183 25 2HB ASN 15 2HB ASN 15 21.369 8.867 -20.272 26 1HD2 ASN 15 1HD2 ASN 15 18.946 9.264 -20.444 27 2HD2 ASN 15 2HD2 ASN 15 18.019 9.117 -18.988 28 H THR 16 H THR 16 19.411 8.156 -23.105 29 HA THR 16 HA THR 16 21.969 8.738 -24.447 30 HB THR 16 HB THR 16 19.329 7.677 -25.577 31 HG1 THR 16 1HG THR 16 22.152 6.871 -25.498 32 1HG2 THR 16 1HG2 THR 16 21.697 9.022 -26.882 33 2HG2 THR 16 2HG2 THR 16 21.034 7.570 -27.670 34 3HG2 THR 16 3HG2 THR 16 19.995 8.990 -27.402 35 HA DPR 17 HA DPR 17 20.575 12.768 -24.927 36 1HB DPR 17 2HB DPR 17 22.036 14.050 -23.008 37 2HB DPR 17 3HB DPR 17 22.688 13.609 -24.573 38 1HG DPR 17 2HG DPR 17 23.162 12.343 -21.944 39 2HG DPR 17 3HG DPR 17 24.103 12.203 -23.416 40 1HD DPR 17 2HD DPR 17 22.279 10.261 -22.354 41 2HD DPR 17 3HD DPR 17 23.132 10.172 -23.883 42 H ALA 18 H ALA 18 18.560 13.439 -24.592 43 HA ALA 18 HA ALA 18 17.834 13.693 -21.763 44 1HB ALA 18 1HB ALA 18 16.267 14.935 -24.006 45 2HB ALA 18 2HB ALA 18 16.559 15.531 -22.354 46 3HB ALA 18 3HB ALA 18 17.846 15.637 -23.578 47 H VAL 19 H VAL 19 17.879 11.122 -23.214 48 HA VAL 19 HA VAL 19 14.984 10.610 -23.275 49 HB VAL 19 HB VAL 19 17.254 9.326 -24.800 50 1HG1 VAL 19 1HG1 VAL 19 16.037 7.483 -25.122 51 2HG1 VAL 19 2HG1 VAL 19 14.904 8.076 -23.884 52 3HG1 VAL 19 3HG1 VAL 19 14.616 8.441 -25.602 53 1HG2 VAL 19 1HG2 VAL 19 15.674 10.034 -26.743 54 2HG2 VAL 19 2HG2 VAL 19 14.966 11.141 -25.542 55 3HG2 VAL 19 3HG2 VAL 19 16.691 11.268 -25.960 56 H GLN 20 H GLN 20 14.182 9.122 -21.845 57 HA GLN 20 HA GLN 20 16.204 7.788 -20.222 58 2HB GLN 20 2HB GLN 20 13.419 7.942 -19.184 59 2HG GLN 20 2HG GLN 20 16.158 7.774 -18.211 60 1HE2 GLN 20 1HE2 GLN 20 13.592 9.183 -16.300 61 2HE2 GLN 20 2HE2 GLN 20 14.403 10.639 -15.831 62 H LYS 21 H LYS 21 16.077 5.539 -19.883 63 HA LYS 21 HA LYS 21 13.820 4.181 -21.156 64 2HB LYS 21 2HB LYS 21 15.703 4.261 -22.764 65 2HG LYS 21 2HG LYS 21 17.654 2.685 -22.184 66 2HD LYS 21 2HD LYS 21 17.232 5.469 -21.514 67 2HE LYS 21 2HE LYS 21 19.017 5.692 -19.779 68 1HZ LYS 21 1HZ LYS 21 17.016 3.851 -18.651 69 2HZ LYS 21 2HZ LYS 21 17.592 5.236 -18.017 70 H TRP 22 H TRP 22 14.319 1.595 -20.595 71 HA TRP 22 HA TRP 22 15.562 0.851 -18.312 72 2HB TRP 22 2HB TRP 22 13.037 2.323 -17.708 73 HD1 TRP 22 HD TRP 22 11.313 0.279 -17.115 74 HE1 TRP 22 1HE TRP 22 11.066 -1.392 -15.087 75 HE3 TRP 22 3HE TRP 22 15.973 1.050 -15.231 76 HZ2 TRP 22 2HZ TRP 22 12.807 -2.185 -12.971 77 HZ3 TRP 22 3HZ TRP 22 16.619 -0.212 -13.182 78 HH2 TRP 22 HH TRP 22 15.123 -1.785 -12.058 79 H HIS 23 H HIS 23 15.378 -1.372 -18.309 80 HA HIS 23 HA HIS 23 12.955 -2.466 -19.533 81 2HB HIS 23 2HB HIS 23 15.429 -4.012 -19.954 82 HD1 HIS 23 1HD HIS 23 15.369 -4.993 -22.463 83 HD2 HIS 23 2HD HIS 23 11.907 -2.999 -21.184 84 HE1 HIS 23 1HE HIS 23 13.519 -5.656 -24.092 85 H PHE 24 H PHE 24 11.866 -3.579 -17.996 86 HA PHE 24 HA PHE 24 13.475 -5.220 -16.181 87 2HB PHE 24 2HB PHE 24 11.030 -3.443 -15.592 88 HD1 PHE 24 1HD PHE 24 9.700 -5.068 -14.410 89 HD2 PHE 24 2HD PHE 24 13.734 -4.372 -13.290 90 HE1 PHE 24 1HE PHE 24 9.320 -6.313 -12.263 91 HE2 PHE 24 2HE PHE 24 13.353 -5.616 -11.144 92 HZ PHE 24 HZ PHE 24 11.151 -6.571 -10.657 93 H VAL 25 H VAL 25 13.000 -7.197 -17.161 94 HA VAL 25 HA VAL 25 10.160 -7.779 -17.573 95 HB VAL 25 HB VAL 25 10.980 -9.643 -18.937 96 1HG1 VAL 25 1HG1 VAL 25 10.646 -8.028 -20.467 97 2HG1 VAL 25 2HG1 VAL 25 11.497 -6.800 -19.499 98 3HG1 VAL 25 3HG1 VAL 25 12.422 -7.922 -20.525 99 1HG2 VAL 25 1HG2 VAL 25 13.045 -10.436 -18.656 100 2HG2 VAL 25 2HG2 VAL 25 13.690 -8.940 -19.374 101 3HG2 VAL 25 3HG2 VAL 25 13.470 -9.059 -17.611 102 H LEU 26 H LEU 26 9.104 -8.989 -16.090 103 HA LEU 26 HA LEU 26 10.746 -10.779 -14.442 104 2HB LEU 26 2HB LEU 26 8.493 -9.933 -12.953 105 HG LEU 26 HG LEU 26 10.077 -8.972 -11.392 106 1HD1 LEU 26 1HD1 LEU 26 9.857 -11.332 -11.219 107 2HD1 LEU 26 2HD1 LEU 26 10.946 -11.605 -12.600 108 3HD1 LEU 26 3HD1 LEU 26 11.590 -10.960 -11.072 109 1HD2 LEU 26 1HD2 LEU 26 11.507 -8.013 -13.354 110 2HD2 LEU 26 2HD2 LEU 26 12.285 -8.453 -11.814 111 3HD2 LEU 26 3HD2 LEU 26 12.393 -9.550 -13.212 112 HA DPR 27 HA DPR 27 7.860 -13.718 -15.752 113 1HB DPR 27 2HB DPR 27 8.583 -14.415 -18.294 114 2HB DPR 27 3HB DPR 27 9.423 -14.989 -16.867 115 1HG DPR 27 2HG DPR 27 10.267 -12.928 -18.811 116 2HG DPR 27 3HG DPR 27 11.243 -13.808 -17.651 117 1HD DPR 27 2HD DPR 27 10.337 -11.096 -17.425 118 2HD DPR 27 3HD DPR 27 11.213 -12.012 -16.216 119 H GLY 28 H GLY 28 5.737 -13.397 -15.864 120 1HA GLY 28 1HA GLY 28 4.653 -12.565 -18.395 121 2HA GLY 28 2HA GLY 28 3.778 -12.977 -16.934 122 H TYR 29 H TYR 29 5.868 -10.952 -15.569 123 HA TYR 29 HA TYR 29 4.112 -8.655 -15.980 124 2HB TYR 29 2HB TYR 29 6.301 -8.478 -13.996 125 HD1 TYR 29 1HD TYR 29 5.403 -6.481 -13.114 126 HD2 TYR 29 2HD TYR 29 2.896 -9.926 -13.504 127 HE1 TYR 29 1HE TYR 29 3.574 -5.310 -11.791 128 HE2 TYR 29 2HE TYR 29 1.076 -8.743 -12.181 129 HH TYR 29 HH TYR 29 0.553 -6.999 -11.005 130 H LYS 30 H LYS 30 4.843 -7.666 -17.884 131 HA LYS 30 HA LYS 30 7.683 -6.933 -17.896 132 2HB LYS 30 2HB LYS 30 5.674 -7.178 -20.151 133 2HG LYS 30 2HG LYS 30 8.587 -6.781 -20.679 134 2HD LYS 30 2HD LYS 30 7.532 -5.257 -22.467 135 2HE LYS 30 2HE LYS 30 6.151 -7.686 -23.149 136 1HZ LYS 30 1HZ LYS 30 8.460 -6.189 -23.974 137 2HZ LYS 30 2HZ LYS 30 8.658 -7.789 -24.207 138 H CYS 31 H CYS 31 8.257 -4.842 -17.572 139 HA CYS 31 HA CYS 31 6.192 -2.826 -17.994 140 2HB CYS 31 2HB CYS 31 7.956 -2.634 -15.578 141 H GLU 32 H GLU 32 7.041 -1.323 -19.391 142 HA GLU 32 HA GLU 32 9.909 -0.852 -19.189 143 2HB GLU 32 2HB GLU 32 9.424 -2.278 -21.172 144 2HG GLU 32 2HG GLU 32 8.076 0.028 -22.544 145 HE2 GLU 32 HE GLU 32 9.268 -1.321 -24.078 146 H ILE 33 H ILE 33 10.426 1.288 -18.923 147 HA ILE 33 HA ILE 33 8.243 3.195 -19.315 148 HB ILE 33 HB ILE 33 10.804 3.672 -17.813 149 2HG1 ILE 33 2HG1 ILE 33 9.787 2.910 -15.780 150 1HG2 ILE 33 1HG2 ILE 33 9.908 5.715 -17.745 151 2HG2 ILE 33 2HG2 ILE 33 8.320 5.139 -18.307 152 3HG2 ILE 33 3HG2 ILE 33 8.747 5.030 -16.582 153 1HD1 ILE 33 1HD1 ILE 33 7.568 2.358 -15.511 154 2HD1 ILE 33 2HD1 ILE 33 7.365 3.442 -16.907 155 3HD1 ILE 33 3HD1 ILE 33 7.432 1.681 -17.151 156 H LEU 34 H LEU 34 8.263 4.495 -21.064 157 HA LEU 34 HA LEU 34 10.872 4.914 -22.349 158 2HB LEU 34 2HB LEU 34 8.418 5.184 -23.967 159 HG LEU 34 HG LEU 34 11.219 4.505 -24.396 160 1HD1 LEU 34 1HD1 LEU 34 11.037 2.737 -25.950 161 2HD1 LEU 34 2HD1 LEU 34 10.135 2.214 -24.509 162 3HD1 LEU 34 3HD1 LEU 34 9.258 2.803 -25.942 163 1HD2 LEU 34 1HD2 LEU 34 9.603 6.313 -25.423 164 2HD2 LEU 34 2HD2 LEU 34 10.920 5.603 -26.386 165 3HD2 LEU 34 3HD2 LEU 34 9.252 5.017 -26.592 166 H ALA 35 H ALA 35 11.193 7.027 -23.364 167 HA ALA 35 HA ALA 35 9.690 9.075 -21.905 168 1HB ALA 35 1HB ALA 35 12.384 9.189 -23.324 169 2HB ALA 35 2HB ALA 35 11.647 10.496 -22.367 170 3HB ALA 35 3HB ALA 35 12.144 8.982 -21.573 171 H THR 12 H THR 12 -6.410 0.100 -18.888 172 HA THR 12 HA THR 12 -7.969 1.033 -16.601 173 HB THR 12 HB THR 12 -10.077 0.461 -17.734 174 HG1 THR 12 1HG THR 12 -8.108 -0.290 -19.770 175 1HG2 THR 12 1HG2 THR 12 -8.277 2.503 -18.800 176 2HG2 THR 12 2HG2 THR 12 -9.266 1.814 -20.112 177 3HG2 THR 12 3HG2 THR 12 -10.054 2.538 -18.688 178 H ALA 13 H ALA 13 -8.710 -0.602 -15.228 179 HA ALA 13 HA ALA 13 -7.728 -3.279 -15.945 180 1HB ALA 13 1HB ALA 13 -6.277 -3.041 -14.238 181 2HB ALA 13 2HB ALA 13 -7.043 -1.525 -13.708 182 3HB ALA 13 3HB ALA 13 -7.686 -3.088 -13.152 183 H LEU 14 H LEU 14 -9.633 -4.280 -16.520 184 HA LEU 14 HA LEU 14 -11.693 -4.301 -14.439 185 2HB LEU 14 2HB LEU 14 -12.565 -2.780 -16.003 186 HG LEU 14 HG LEU 14 -11.301 -4.450 -18.050 187 1HD1 LEU 14 1HD1 LEU 14 -13.836 -5.006 -18.176 188 2HD1 LEU 14 2HD1 LEU 14 -13.987 -3.366 -18.850 189 3HD1 LEU 14 3HD1 LEU 14 -12.957 -4.570 -19.661 190 1HD2 LEU 14 1HD2 LEU 14 -10.616 -2.435 -18.670 191 2HD2 LEU 14 2HD2 LEU 14 -12.291 -1.947 -19.019 192 3HD2 LEU 14 3HD2 LEU 14 -11.616 -1.709 -17.389 193 H ASN 15 H ASN 15 -13.268 -6.224 -14.880 194 HA ASN 15 HA ASN 15 -11.544 -8.481 -15.324 195 2HB ASN 15 2HB ASN 15 -14.215 -9.334 -14.731 196 1HD2 ASN 15 1HD2 ASN 15 -12.875 -8.076 -11.930 197 2HD2 ASN 15 2HD2 ASN 15 -11.920 -9.423 -11.410 198 H THR 16 H THR 16 -11.427 -9.188 -17.467 199 HA THR 16 HA THR 16 -13.917 -9.090 -19.041 200 HB THR 16 HB THR 16 -10.974 -8.804 -19.836 201 HG1 THR 16 1HG THR 16 -12.201 -6.952 -18.919 202 1HG2 THR 16 1HG2 THR 16 -12.331 -8.094 -22.058 203 2HG2 THR 16 2HG2 THR 16 -11.804 -9.774 -21.805 204 3HG2 THR 16 3HG2 THR 16 -13.482 -9.304 -21.445 205 HA DPR 17 HA DPR 17 -13.673 -13.335 -19.620 206 1HB DPR 17 2HB DPR 17 -15.571 -14.224 -17.866 207 2HB DPR 17 3HB DPR 17 -15.957 -13.559 -19.440 208 1HG DPR 17 2HG DPR 17 -16.251 -12.310 -16.778 209 2HG DPR 17 3HG DPR 17 -17.006 -11.855 -18.292 210 1HD DPR 17 2HD DPR 17 -14.796 -10.546 -17.016 211 2HD DPR 17 3HD DPR 17 -15.475 -10.164 -18.585 212 H ALA 18 H ALA 18 -12.403 -15.037 -19.113 213 HA ALA 18 HA ALA 18 -11.794 -15.341 -16.284 214 1HB ALA 18 1HB ALA 18 -11.340 -17.530 -16.795 215 2HB ALA 18 2HB ALA 18 -12.397 -17.163 -18.180 216 3HB ALA 18 3HB ALA 18 -10.628 -17.127 -18.376 217 H VAL 19 H VAL 19 -10.499 -14.010 -19.255 218 HA VAL 19 HA VAL 19 -7.812 -13.955 -18.103 219 HB VAL 19 HB VAL 19 -8.847 -13.297 -20.868 220 1HG1 VAL 19 1HG1 VAL 19 -5.941 -13.684 -20.185 221 2HG1 VAL 19 2HG1 VAL 19 -6.681 -12.827 -21.559 222 3HG1 VAL 19 3HG1 VAL 19 -6.714 -12.100 -19.935 223 1HG2 VAL 19 1HG2 VAL 19 -7.182 -15.665 -19.953 224 2HG2 VAL 19 2HG2 VAL 19 -8.941 -15.712 -20.221 225 3HG2 VAL 19 3HG2 VAL 19 -7.843 -15.372 -21.580 226 H GLN 20 H GLN 20 -7.335 -12.236 -16.844 227 HA GLN 20 HA GLN 20 -8.915 -9.858 -17.171 228 2HB GLN 20 2HB GLN 20 -6.644 -10.100 -15.194 229 2HG GLN 20 2HG GLN 20 -9.188 -9.247 -14.128 230 1HE2 GLN 20 1HE2 GLN 20 -8.946 -7.320 -12.977 231 2HE2 GLN 20 2HE2 GLN 20 -7.398 -6.616 -12.650 232 H LYS 21 H LYS 21 -8.142 -7.839 -17.879 233 HA LYS 21 HA LYS 21 -5.498 -7.960 -19.132 234 2HB LYS 21 2HB LYS 21 -7.392 -7.566 -20.641 235 2HG LYS 21 2HG LYS 21 -7.788 -5.011 -19.012 236 2HD LYS 21 2HD LYS 21 -8.728 -5.964 -21.687 237 2HE LYS 21 2HE LYS 21 -10.647 -4.132 -20.352 238 1HZ LYS 21 1HZ LYS 21 -11.898 -4.966 -22.011 239 2HZ LYS 21 2HZ LYS 21 -10.583 -5.743 -22.573 240 H TRP 22 H TRP 22 -3.926 -6.378 -18.717 241 HA TRP 22 HA TRP 22 -4.615 -4.481 -16.585 242 2HB TRP 22 2HB TRP 22 -1.867 -5.415 -16.458 243 HD1 TRP 22 HD TRP 22 -2.824 -7.068 -13.635 244 HE1 TRP 22 1HE TRP 22 -3.332 -5.657 -11.463 245 HE3 TRP 22 3HE TRP 22 -3.556 -2.648 -16.042 246 HZ2 TRP 22 2HZ TRP 22 -3.968 -2.912 -11.006 247 HZ3 TRP 22 3HZ TRP 22 -4.117 -0.652 -14.659 248 HH2 TRP 22 HH TRP 22 -4.325 -0.733 -12.225 249 H HIS 23 H HIS 23 -4.947 -3.133 -18.613 250 HA HIS 23 HA HIS 23 -2.444 -2.475 -19.938 251 2HB HIS 23 2HB HIS 23 -4.053 -1.071 -21.378 252 HD1 HIS 23 1HD HIS 23 -4.880 -4.751 -20.616 253 HD2 HIS 23 2HD HIS 23 -3.383 -2.327 -23.695 254 HE1 HIS 23 1HE HIS 23 -4.463 -6.296 -22.604 255 H PHE 24 H PHE 24 -1.266 -1.185 -18.536 256 HA PHE 24 HA PHE 24 -2.679 1.181 -17.528 257 2HB PHE 24 2HB PHE 24 -0.244 -0.447 -16.603 258 HD1 PHE 24 1HD PHE 24 -2.367 1.766 -14.576 259 HD2 PHE 24 2HD PHE 24 1.436 1.254 -16.388 260 HE1 PHE 24 1HE PHE 24 -1.469 3.685 -13.232 261 HE2 PHE 24 2HE PHE 24 2.334 3.175 -15.044 262 HZ PHE 24 HZ PHE 24 0.871 4.367 -13.482 263 H VAL 25 H VAL 25 -2.357 2.508 -19.383 264 HA VAL 25 HA VAL 25 0.456 3.251 -19.771 265 HB VAL 25 HB VAL 25 -0.109 3.653 -22.151 266 1HG1 VAL 25 1HG1 VAL 25 -0.547 0.974 -22.501 267 2HG1 VAL 25 2HG1 VAL 25 1.037 1.711 -22.161 268 3HG1 VAL 25 3HG1 VAL 25 0.073 1.018 -20.834 269 1HG2 VAL 25 1HG2 VAL 25 -2.218 3.611 -22.866 270 2HG2 VAL 25 2HG2 VAL 25 -2.337 1.889 -22.430 271 3HG2 VAL 25 3HG2 VAL 25 -2.767 3.140 -21.239 272 H LEU 26 H LEU 26 -0.097 4.837 -18.043 273 HA LEU 26 HA LEU 26 -1.704 7.035 -19.151 274 2HB LEU 26 2HB LEU 26 -2.494 5.777 -17.052 275 HG LEU 26 HG LEU 26 -0.101 6.199 -15.944 276 1HD1 LEU 26 1HD1 LEU 26 0.057 8.138 -14.608 277 2HD1 LEU 26 2HD1 LEU 26 -0.412 8.704 -16.229 278 3HD1 LEU 26 3HD1 LEU 26 -1.630 8.602 -14.936 279 1HD2 LEU 26 1HD2 LEU 26 -1.029 5.505 -13.973 280 2HD2 LEU 26 2HD2 LEU 26 -2.420 6.608 -14.104 281 3HD2 LEU 26 3HD2 LEU 26 -2.362 5.127 -15.092 282 HA DPR 27 HA DPR 27 1.651 9.695 -17.952 283 1HB DPR 27 2HB DPR 27 1.063 11.728 -19.682 284 2HB DPR 27 3HB DPR 27 0.434 11.648 -18.049 285 1HG DPR 27 2HG DPR 27 -0.958 11.099 -20.598 286 2HG DPR 27 3HG DPR 27 -1.646 11.440 -19.023 287 1HD DPR 27 2HD DPR 27 -1.456 8.876 -20.295 288 2HD DPR 27 3HD DPR 27 -2.038 9.201 -18.675 289 H GLY 28 H GLY 28 3.383 8.476 -18.567 290 1HA GLY 28 1HA GLY 28 3.824 8.277 -21.457 291 2HA GLY 28 2HA GLY 28 5.017 9.132 -20.500 292 H TYR 29 H TYR 29 3.120 6.388 -19.209 293 HA TYR 29 HA TYR 29 5.631 4.870 -19.071 294 2HB TYR 29 2HB TYR 29 3.899 3.657 -17.343 295 HD1 TYR 29 1HD TYR 29 4.706 7.324 -17.160 296 HD2 TYR 29 2HD TYR 29 5.421 3.399 -15.614 297 HE1 TYR 29 1HE TYR 29 6.259 8.295 -15.396 298 HE2 TYR 29 2HE TYR 29 6.972 4.383 -13.856 299 HH TYR 29 HH TYR 29 7.334 7.876 -13.523 300 H LYS 30 H LYS 30 5.601 2.580 -19.512 301 HA LYS 30 HA LYS 30 3.229 1.705 -20.999 302 2HB LYS 30 2HB LYS 30 5.890 0.791 -21.965 303 2HG LYS 30 2HG LYS 30 4.441 1.555 -24.131 304 2HD LYS 30 2HD LYS 30 3.313 -0.942 -23.066 305 2HE LYS 30 2HE LYS 30 5.422 -1.263 -25.040 306 1HZ LYS 30 1HZ LYS 30 2.461 -1.339 -25.287 307 2HZ LYS 30 2HZ LYS 30 3.511 -1.987 -26.350 308 H CYS 31 H CYS 31 2.470 0.515 -19.206 309 HA CYS 31 HA CYS 31 4.228 -1.719 -18.491 310 2HB CYS 31 2HB CYS 31 2.094 -0.861 -16.603 311 H GLU 32 H GLU 32 3.417 -3.633 -19.271 312 HA GLU 32 HA GLU 32 0.515 -3.794 -19.511 313 2HB GLU 32 2HB GLU 32 1.190 -5.450 -21.493 314 2HG GLU 32 2HG GLU 32 1.616 -2.633 -22.346 315 HE2 GLU 32 HE GLU 32 -1.477 -3.362 -22.481 316 H ILE 33 H ILE 33 -0.245 -5.302 -18.096 317 HA ILE 33 HA ILE 33 1.424 -7.683 -17.689 318 HB ILE 33 HB ILE 33 -0.125 -6.100 -15.640 319 2HG1 ILE 33 2HG1 ILE 33 2.451 -5.732 -16.549 320 1HG2 ILE 33 1HG2 ILE 33 -0.275 -8.673 -15.507 321 2HG2 ILE 33 2HG2 ILE 33 1.443 -8.601 -15.045 322 3HG2 ILE 33 3HG2 ILE 33 0.220 -7.770 -14.054 323 1HD1 ILE 33 1HD1 ILE 33 2.689 -4.276 -14.652 324 2HD1 ILE 33 2HD1 ILE 33 0.954 -4.277 -15.051 325 3HD1 ILE 33 3HD1 ILE 33 1.552 -5.242 -13.680 326 H LEU 34 H LEU 34 0.335 -9.675 -17.603 327 HA LEU 34 HA LEU 34 -2.532 -9.493 -18.222 328 2HB LEU 34 2HB LEU 34 -1.171 -10.039 -20.197 329 HG LEU 34 HG LEU 34 -0.074 -12.150 -18.449 330 1HD1 LEU 34 1HD1 LEU 34 0.058 -13.864 -20.148 331 2HD1 LEU 34 2HD1 LEU 34 -1.648 -13.469 -19.828 332 3HD1 LEU 34 3HD1 LEU 34 -0.851 -12.849 -21.293 333 1HD2 LEU 34 1HD2 LEU 34 0.948 -11.189 -21.121 334 2HD2 LEU 34 2HD2 LEU 34 1.164 -10.251 -19.624 335 3HD2 LEU 34 3HD2 LEU 34 1.857 -11.884 -19.758 336 H ALA 35 H ALA 35 -3.894 -10.763 -17.014 337 HA ALA 35 HA ALA 35 -2.622 -12.761 -15.286 338 1HB ALA 35 1HB ALA 35 -2.874 -11.122 -13.683 339 2HB ALA 35 2HB ALA 35 -4.231 -10.345 -14.532 340 3HB ALA 35 3HB ALA 35 -4.499 -11.845 -13.611 Start of MODEL 7 1 H THR 12 H THR 12 22.734 -3.036 -20.640 2 HA THR 12 HA THR 12 20.145 -2.125 -21.666 3 HB THR 12 HB THR 12 20.540 -4.573 -21.215 4 HG1 THR 12 1HG THR 12 18.659 -4.547 -19.555 5 1HG2 THR 12 1HG2 THR 12 20.406 -3.960 -18.260 6 2HG2 THR 12 2HG2 THR 12 21.043 -5.405 -19.081 7 3HG2 THR 12 3HG2 THR 12 22.002 -3.906 -19.046 8 H ALA 13 H ALA 13 20.833 0.133 -21.024 9 HA ALA 13 HA ALA 13 19.428 0.913 -18.794 10 1HB ALA 13 1HB ALA 13 22.082 -0.094 -18.155 11 2HB ALA 13 2HB ALA 13 21.939 1.629 -17.731 12 3HB ALA 13 3HB ALA 13 20.786 0.449 -17.063 13 H LEU 14 H LEU 14 18.902 2.184 -20.785 14 HA LEU 14 HA LEU 14 20.932 4.180 -21.427 15 2HB LEU 14 2HB LEU 14 19.028 4.736 -23.162 16 HG LEU 14 HG LEU 14 21.367 3.531 -23.517 17 1HD1 LEU 14 1HD1 LEU 14 19.593 1.285 -24.422 18 2HD1 LEU 14 2HD1 LEU 14 21.346 1.301 -24.112 19 3HD1 LEU 14 3HD1 LEU 14 20.201 1.328 -22.749 20 1HD2 LEU 14 1HD2 LEU 14 20.305 4.807 -25.235 21 2HD2 LEU 14 2HD2 LEU 14 20.754 3.230 -25.925 22 3HD2 LEU 14 3HD2 LEU 14 19.062 3.557 -25.478 23 H ASN 15 H ASN 15 20.933 6.051 -20.315 24 HA ASN 15 HA ASN 15 18.325 6.993 -19.415 25 2HB ASN 15 2HB ASN 15 19.763 6.173 -17.509 26 1HD2 ASN 15 1HD2 ASN 15 20.966 9.376 -17.457 27 2HD2 ASN 15 2HD2 ASN 15 22.660 9.041 -17.599 28 H THR 16 H THR 16 17.868 8.915 -20.496 29 HA THR 16 HA THR 16 20.161 10.612 -21.238 30 HB THR 16 HB THR 16 17.503 10.045 -22.650 31 HG1 THR 16 1HG THR 16 19.238 9.389 -24.261 32 1HG2 THR 16 1HG2 THR 16 18.278 11.549 -24.412 33 2HG2 THR 16 2HG2 THR 16 18.293 12.473 -22.890 34 3HG2 THR 16 3HG2 THR 16 19.815 11.834 -23.560 35 HA DPR 17 HA DPR 17 18.289 13.948 -19.274 36 1HB DPR 17 2HB DPR 17 20.093 14.347 -17.261 37 2HB DPR 17 3HB DPR 17 20.330 14.942 -18.892 38 1HG DPR 17 2HG DPR 17 21.621 12.646 -17.551 39 2HG DPR 17 3HG DPR 17 22.133 13.507 -18.988 40 1HD DPR 17 2HD DPR 17 20.858 10.939 -18.887 41 2HD DPR 17 3HD DPR 17 21.265 11.851 -20.327 42 H ALA 18 H ALA 18 16.296 13.336 -18.562 43 HA ALA 18 HA ALA 18 16.376 12.051 -15.919 44 1HB ALA 18 1HB ALA 18 14.064 13.794 -16.497 45 2HB ALA 18 2HB ALA 18 15.069 13.676 -15.033 46 3HB ALA 18 3HB ALA 18 15.617 14.657 -16.412 47 H VAL 19 H VAL 19 16.257 10.811 -18.590 48 HA VAL 19 HA VAL 19 13.573 9.649 -18.341 49 HB VAL 19 HB VAL 19 13.792 11.213 -20.276 50 1HG1 VAL 19 1HG1 VAL 19 15.466 11.107 -21.760 51 2HG1 VAL 19 2HG1 VAL 19 16.273 9.998 -20.626 52 3HG1 VAL 19 3HG1 VAL 19 15.284 9.347 -21.956 53 1HG2 VAL 19 1HG2 VAL 19 12.420 9.930 -21.587 54 2HG2 VAL 19 2HG2 VAL 19 13.451 8.485 -21.453 55 3HG2 VAL 19 3HG2 VAL 19 12.396 8.953 -20.100 56 H GLN 20 H GLN 20 13.637 7.504 -17.917 57 HA GLN 20 HA GLN 20 16.133 6.157 -18.603 58 2HB GLN 20 2HB GLN 20 14.402 4.952 -16.498 59 2HG GLN 20 2HG GLN 20 17.130 4.864 -17.369 60 1HE2 GLN 20 1HE2 GLN 20 18.254 3.997 -14.860 61 2HE2 GLN 20 2HE2 GLN 20 18.773 5.401 -13.990 62 H LYS 21 H LYS 21 15.973 4.540 -20.101 63 HA LYS 21 HA LYS 21 13.287 3.422 -20.526 64 2HB LYS 21 2HB LYS 21 13.959 4.828 -22.392 65 2HG LYS 21 2HG LYS 21 16.317 2.936 -22.783 66 2HD LYS 21 2HD LYS 21 15.085 4.527 -24.620 67 2HE LYS 21 2HE LYS 21 17.104 6.262 -23.136 68 1HZ LYS 21 1HZ LYS 21 15.957 7.099 -25.693 69 2HZ LYS 21 2HZ LYS 21 17.385 7.509 -25.028 70 H TRP 22 H TRP 22 14.343 2.150 -18.540 71 HA TRP 22 HA TRP 22 16.104 0.054 -19.540 72 2HB TRP 22 2HB TRP 22 16.542 1.294 -17.387 73 HD1 TRP 22 HD TRP 22 13.850 2.273 -16.637 74 HE1 TRP 22 1HE TRP 22 12.419 1.628 -14.516 75 HE3 TRP 22 3HE TRP 22 16.209 -2.140 -15.738 76 HZ2 TRP 22 2HZ TRP 22 12.434 -0.606 -12.739 77 HZ3 TRP 22 3HZ TRP 22 15.441 -3.492 -13.791 78 HH2 TRP 22 HH TRP 22 13.622 -2.790 -12.316 79 H HIS 23 H HIS 23 15.343 -1.986 -20.016 80 HA HIS 23 HA HIS 23 12.500 -2.419 -19.481 81 2HB HIS 23 2HB HIS 23 14.332 -3.149 -21.714 82 HD1 HIS 23 1HD HIS 23 14.729 -5.703 -21.574 83 HD2 HIS 23 2HD HIS 23 10.683 -4.603 -21.466 84 HE1 HIS 23 1HE HIS 23 13.395 -7.854 -21.894 85 H PHE 24 H PHE 24 12.106 -3.661 -17.724 86 HA PHE 24 HA PHE 24 13.875 -5.960 -17.321 87 2HB PHE 24 2HB PHE 24 12.705 -4.000 -15.254 88 HD1 PHE 24 1HD PHE 24 11.975 -5.331 -13.475 89 HD2 PHE 24 2HD PHE 24 15.720 -6.172 -15.284 90 HE1 PHE 24 1HE PHE 24 12.484 -6.982 -11.654 91 HE2 PHE 24 2HE PHE 24 16.229 -7.823 -13.464 92 HZ PHE 24 HZ PHE 24 14.605 -8.209 -11.671 93 H VAL 25 H VAL 25 12.597 -7.714 -17.705 94 HA VAL 25 HA VAL 25 9.881 -7.613 -16.581 95 HB VAL 25 HB VAL 25 9.154 -9.008 -18.378 96 1HG1 VAL 25 1HG1 VAL 25 9.318 -7.497 -20.222 97 2HG1 VAL 25 2HG1 VAL 25 9.359 -6.515 -18.738 98 3HG1 VAL 25 3HG1 VAL 25 10.864 -6.841 -19.632 99 1HG2 VAL 25 1HG2 VAL 25 10.794 -9.527 -20.281 100 2HG2 VAL 25 2HG2 VAL 25 12.084 -9.154 -19.112 101 3HG2 VAL 25 3HG2 VAL 25 10.946 -10.484 -18.788 102 H LEU 26 H LEU 26 9.582 -8.955 -14.884 103 HA LEU 26 HA LEU 26 11.461 -11.196 -14.639 104 2HB LEU 26 2HB LEU 26 9.966 -10.581 -12.246 105 HG LEU 26 HG LEU 26 12.907 -10.519 -12.947 106 1HD1 LEU 26 1HD1 LEU 26 11.976 -8.846 -11.102 107 2HD1 LEU 26 2HD1 LEU 26 12.030 -10.319 -10.104 108 3HD1 LEU 26 3HD1 LEU 26 13.509 -9.728 -10.899 109 1HD2 LEU 26 1HD2 LEU 26 12.910 -12.667 -12.403 110 2HD2 LEU 26 2HD2 LEU 26 12.161 -12.314 -10.827 111 3HD2 LEU 26 3HD2 LEU 26 11.138 -12.603 -12.255 112 HA DPR 27 HA DPR 27 8.099 -13.975 -14.264 113 1HB DPR 27 2HB DPR 27 9.148 -15.962 -15.818 114 2HB DPR 27 3HB DPR 27 9.485 -15.807 -14.106 115 1HG DPR 27 2HG DPR 27 11.228 -15.160 -16.404 116 2HG DPR 27 3HG DPR 27 11.672 -15.416 -14.727 117 1HD DPR 27 2HD DPR 27 11.467 -12.897 -16.082 118 2HD DPR 27 3HD DPR 27 11.796 -13.147 -14.380 119 H GLY 28 H GLY 28 6.424 -12.859 -15.198 120 1HA GLY 28 1HA GLY 28 6.427 -12.895 -18.141 121 2HA GLY 28 2HA GLY 28 5.102 -13.643 -17.271 122 H TYR 29 H TYR 29 6.972 -10.671 -16.392 123 HA TYR 29 HA TYR 29 4.477 -9.153 -16.750 124 2HB TYR 29 2HB TYR 29 5.850 -7.837 -14.768 125 HD1 TYR 29 1HD TYR 29 4.090 -7.317 -13.362 126 HD2 TYR 29 2HD TYR 29 4.590 -11.379 -14.607 127 HE1 TYR 29 1HE TYR 29 2.078 -8.000 -11.965 128 HE2 TYR 29 2HE TYR 29 2.576 -12.050 -13.207 129 HH TYR 29 HH TYR 29 0.334 -10.123 -12.241 130 H LYS 30 H LYS 30 4.663 -7.509 -18.183 131 HA LYS 30 HA LYS 30 7.384 -6.573 -18.757 132 2HB LYS 30 2HB LYS 30 6.235 -7.650 -20.641 133 2HG LYS 30 2HG LYS 30 4.271 -5.324 -20.546 134 2HD LYS 30 2HD LYS 30 4.956 -7.272 -22.515 135 2HE LYS 30 2HE LYS 30 2.092 -7.751 -22.204 136 1HZ LYS 30 1HZ LYS 30 4.483 -9.155 -22.925 137 2HZ LYS 30 2HZ LYS 30 3.481 -10.103 -22.060 138 H CYS 31 H CYS 31 7.782 -4.867 -17.413 139 HA CYS 31 HA CYS 31 5.793 -2.724 -17.518 140 2HB CYS 31 2HB CYS 31 7.391 -3.378 -15.043 141 H GLU 32 H GLU 32 6.915 -1.407 -18.982 142 HA GLU 32 HA GLU 32 9.655 -0.779 -18.196 143 2HB GLU 32 2HB GLU 32 9.548 -2.000 -20.354 144 2HG GLU 32 2HG GLU 32 8.591 -0.238 -22.225 145 HE2 GLU 32 HE GLU 32 7.171 -1.156 -23.356 146 H ILE 33 H ILE 33 10.283 1.440 -18.199 147 HA ILE 33 HA ILE 33 7.998 3.271 -18.358 148 HB ILE 33 HB ILE 33 10.565 3.421 -16.775 149 2HG1 ILE 33 2HG1 ILE 33 9.152 3.188 -14.824 150 1HG2 ILE 33 1HG2 ILE 33 10.286 5.642 -17.011 151 2HG2 ILE 33 2HG2 ILE 33 8.585 5.489 -17.513 152 3HG2 ILE 33 3HG2 ILE 33 9.015 5.413 -15.787 153 1HD1 ILE 33 1HD1 ILE 33 7.107 4.271 -16.002 154 2HD1 ILE 33 2HD1 ILE 33 6.802 2.651 -16.673 155 3HD1 ILE 33 3HD1 ILE 33 6.789 2.901 -14.911 156 H LEU 34 H LEU 34 7.904 4.347 -20.253 157 HA LEU 34 HA LEU 34 10.476 5.204 -21.390 158 2HB LEU 34 2HB LEU 34 9.066 5.122 -23.587 159 HG LEU 34 HG LEU 34 10.259 2.718 -22.214 160 1HD1 LEU 34 1HD1 LEU 34 9.132 1.327 -23.527 161 2HD1 LEU 34 2HD1 LEU 34 8.373 2.675 -24.408 162 3HD1 LEU 34 3HD1 LEU 34 9.962 2.060 -24.920 163 1HD2 LEU 34 1HD2 LEU 34 11.887 2.954 -24.138 164 2HD2 LEU 34 2HD2 LEU 34 11.096 4.506 -24.503 165 3HD2 LEU 34 3HD2 LEU 34 11.899 4.265 -22.934 166 H ALA 35 H ALA 35 9.917 7.000 -19.731 167 HA ALA 35 HA ALA 35 8.128 8.917 -21.063 168 1HB ALA 35 1HB ALA 35 8.825 9.115 -18.146 169 2HB ALA 35 2HB ALA 35 7.346 9.619 -19.001 170 3HB ALA 35 3HB ALA 35 7.632 7.896 -18.657 171 H THR 12 H THR 12 -10.354 -0.026 -20.043 172 HA THR 12 HA THR 12 -11.838 -0.243 -17.505 173 HB THR 12 HB THR 12 -12.463 -1.224 -20.333 174 HG1 THR 12 1HG THR 12 -14.032 0.364 -20.053 175 1HG2 THR 12 1HG2 THR 12 -14.579 -2.124 -19.248 176 2HG2 THR 12 2HG2 THR 12 -13.120 -3.048 -18.816 177 3HG2 THR 12 3HG2 THR 12 -13.809 -1.882 -17.661 178 H ALA 13 H ALA 13 -11.391 -1.912 -16.171 179 HA ALA 13 HA ALA 13 -9.504 -3.904 -17.233 180 1HB ALA 13 1HB ALA 13 -9.204 -2.053 -15.105 181 2HB ALA 13 2HB ALA 13 -9.439 -3.647 -14.349 182 3HB ALA 13 3HB ALA 13 -8.128 -3.406 -15.528 183 H LEU 14 H LEU 14 -9.985 -6.068 -16.897 184 HA LEU 14 HA LEU 14 -12.501 -6.562 -15.458 185 2HB LEU 14 2HB LEU 14 -11.404 -7.840 -17.961 186 HG LEU 14 HG LEU 14 -12.546 -9.523 -16.448 187 1HD1 LEU 14 1HD1 LEU 14 -15.043 -7.931 -17.076 188 2HD1 LEU 14 2HD1 LEU 14 -14.910 -9.414 -16.102 189 3HD1 LEU 14 3HD1 LEU 14 -14.197 -7.895 -15.510 190 1HD2 LEU 14 1HD2 LEU 14 -13.811 -8.888 -19.128 191 2HD2 LEU 14 2HD2 LEU 14 -12.363 -9.882 -18.838 192 3HD2 LEU 14 3HD2 LEU 14 -13.953 -10.435 -18.258 193 H ASN 15 H ASN 15 -12.386 -7.911 -13.733 194 HA ASN 15 HA ASN 15 -9.930 -9.473 -13.534 195 2HB ASN 15 2HB ASN 15 -11.572 -8.052 -11.381 196 1HD2 ASN 15 1HD2 ASN 15 -12.034 -9.464 -9.845 197 2HD2 ASN 15 2HD2 ASN 15 -10.922 -10.543 -9.071 198 H THR 16 H THR 16 -10.764 -11.496 -14.256 199 HA THR 16 HA THR 16 -13.118 -12.495 -12.790 200 HB THR 16 HB THR 16 -13.666 -12.185 -15.146 201 HG1 THR 16 1HG THR 16 -13.723 -14.596 -15.679 202 1HG2 THR 16 1HG2 THR 16 -10.882 -13.189 -15.525 203 2HG2 THR 16 2HG2 THR 16 -12.085 -13.919 -16.614 204 3HG2 THR 16 3HG2 THR 16 -11.863 -12.153 -16.590 205 HA DPR 17 HA DPR 17 -10.835 -15.920 -11.543 206 1HB DPR 17 2HB DPR 17 -10.725 -15.433 -8.856 207 2HB DPR 17 3HB DPR 17 -12.116 -16.152 -9.643 208 1HG DPR 17 2HG DPR 17 -11.782 -13.397 -8.625 209 2HG DPR 17 3HG DPR 17 -13.261 -14.252 -9.015 210 1HD DPR 17 2HD DPR 17 -11.979 -12.230 -10.596 211 2HD DPR 17 3HD DPR 17 -13.392 -13.167 -11.038 212 H ALA 18 H ALA 18 -8.772 -16.459 -11.838 213 HA ALA 18 HA ALA 18 -6.842 -14.633 -10.614 214 1HB ALA 18 1HB ALA 18 -5.367 -16.458 -10.542 215 2HB ALA 18 2HB ALA 18 -6.946 -17.214 -10.222 216 3HB ALA 18 3HB ALA 18 -6.218 -17.324 -11.843 217 H VAL 19 H VAL 19 -8.378 -13.920 -13.035 218 HA VAL 19 HA VAL 19 -6.135 -13.860 -14.934 219 HB VAL 19 HB VAL 19 -9.109 -14.083 -15.406 220 1HG1 VAL 19 1HG1 VAL 19 -7.290 -12.600 -16.961 221 2HG1 VAL 19 2HG1 VAL 19 -7.525 -14.135 -17.830 222 3HG1 VAL 19 3HG1 VAL 19 -8.930 -13.125 -17.413 223 1HG2 VAL 19 1HG2 VAL 19 -8.607 -16.148 -16.493 224 2HG2 VAL 19 2HG2 VAL 19 -6.856 -15.830 -16.439 225 3HG2 VAL 19 3HG2 VAL 19 -7.747 -16.163 -14.935 226 H GLN 20 H GLN 20 -5.207 -11.883 -14.602 227 HA GLN 20 HA GLN 20 -7.073 -9.640 -14.525 228 2HB GLN 20 2HB GLN 20 -4.880 -8.541 -13.401 229 2HG GLN 20 2HG GLN 20 -7.075 -10.225 -12.147 230 1HE2 GLN 20 1HE2 GLN 20 -6.975 -10.815 -10.117 231 2HE2 GLN 20 2HE2 GLN 20 -5.800 -10.329 -8.941 232 H LYS 21 H LYS 21 -7.090 -8.747 -16.551 233 HA LYS 21 HA LYS 21 -4.468 -8.397 -17.835 234 2HB LYS 21 2HB LYS 21 -6.154 -8.331 -19.936 235 2HG LYS 21 2HG LYS 21 -4.897 -10.755 -18.574 236 2HD LYS 21 2HD LYS 21 -5.733 -10.558 -21.495 237 2HE LYS 21 2HE LYS 21 -4.773 -12.769 -19.636 238 1HZ LYS 21 1HZ LYS 21 -5.265 -14.184 -21.674 239 2HZ LYS 21 2HZ LYS 21 -6.567 -13.768 -20.789 240 H TRP 22 H TRP 22 -4.332 -6.385 -16.558 241 HA TRP 22 HA TRP 22 -6.091 -4.311 -17.683 242 2HB TRP 22 2HB TRP 22 -6.371 -4.756 -15.247 243 HD1 TRP 22 HD TRP 22 -4.076 -6.304 -14.401 244 HE1 TRP 22 1HE TRP 22 -2.091 -5.637 -12.796 245 HE3 TRP 22 3HE TRP 22 -4.652 -1.279 -14.921 246 HZ2 TRP 22 2HZ TRP 22 -1.007 -3.137 -11.943 247 HZ3 TRP 22 3HZ TRP 22 -3.089 0.205 -13.668 248 HH2 TRP 22 HH TRP 22 -1.315 -0.649 -12.219 249 H HIS 23 H HIS 23 -5.075 -2.557 -18.676 250 HA HIS 23 HA HIS 23 -2.145 -2.657 -18.649 251 2HB HIS 23 2HB HIS 23 -3.955 -1.836 -20.939 252 HD1 HIS 23 1HD HIS 23 -2.603 -1.478 -23.195 253 HD2 HIS 23 2HD HIS 23 -0.263 -1.662 -19.719 254 HE1 HIS 23 1HE HIS 23 -0.301 -0.580 -23.834 255 H PHE 24 H PHE 24 -1.058 -0.765 -18.175 256 HA PHE 24 HA PHE 24 -2.769 1.590 -17.790 257 2HB PHE 24 2HB PHE 24 -0.250 0.625 -16.306 258 HD1 PHE 24 1HD PHE 24 0.826 2.815 -16.317 259 HD2 PHE 24 2HD PHE 24 -3.100 2.323 -14.785 260 HE1 PHE 24 1HE PHE 24 0.982 5.057 -15.200 261 HE2 PHE 24 2HE PHE 24 -2.945 4.566 -13.668 262 HZ PHE 24 HZ PHE 24 -0.906 5.905 -13.888 263 H VAL 25 H VAL 25 -2.314 2.472 -19.876 264 HA VAL 25 HA VAL 25 0.491 3.297 -20.182 265 HB VAL 25 HB VAL 25 -0.178 1.592 -21.811 266 1HG1 VAL 25 1HG1 VAL 25 -2.003 3.385 -23.297 267 2HG1 VAL 25 2HG1 VAL 25 -2.075 1.625 -23.039 268 3HG1 VAL 25 3HG1 VAL 25 -2.654 2.735 -21.773 269 1HG2 VAL 25 1HG2 VAL 25 1.499 3.132 -22.534 270 2HG2 VAL 25 2HG2 VAL 25 0.364 2.927 -23.889 271 3HG2 VAL 25 3HG2 VAL 25 0.289 4.391 -22.880 272 H LEU 26 H LEU 26 -0.473 5.042 -18.658 273 HA LEU 26 HA LEU 26 -1.808 7.056 -20.329 274 2HB LEU 26 2HB LEU 26 -3.055 6.050 -18.338 275 HG LEU 26 HG LEU 26 -1.049 6.403 -16.729 276 1HD1 LEU 26 1HD1 LEU 26 -2.015 8.988 -15.873 277 2HD1 LEU 26 2HD1 LEU 26 -0.357 8.454 -16.240 278 3HD1 LEU 26 3HD1 LEU 26 -1.405 9.064 -17.543 279 1HD2 LEU 26 1HD2 LEU 26 -3.841 7.307 -15.967 280 2HD2 LEU 26 2HD2 LEU 26 -3.247 5.630 -16.019 281 3HD2 LEU 26 3HD2 LEU 26 -2.569 6.777 -14.839 282 HA DPR 27 HA DPR 27 1.216 9.881 -18.614 283 1HB DPR 27 2HB DPR 27 0.784 11.927 -20.374 284 2HB DPR 27 3HB DPR 27 -0.029 11.806 -18.827 285 1HG DPR 27 2HG DPR 27 -1.098 11.267 -21.530 286 2HG DPR 27 3HG DPR 27 -1.975 11.565 -20.042 287 1HD DPR 27 2HD DPR 27 -1.572 9.027 -21.318 288 2HD DPR 27 3HD DPR 27 -2.347 9.312 -19.773 289 H GLY 28 H GLY 28 2.828 8.353 -19.172 290 1HA GLY 28 1HA GLY 28 3.648 8.217 -21.920 291 2HA GLY 28 2HA GLY 28 4.692 9.240 -20.956 292 H TYR 29 H TYR 29 2.909 6.136 -20.287 293 HA TYR 29 HA TYR 29 5.505 4.896 -19.732 294 2HB TYR 29 2HB TYR 29 4.177 3.836 -17.735 295 HD1 TYR 29 1HD TYR 29 2.908 6.551 -16.312 296 HD2 TYR 29 2HD TYR 29 6.662 5.342 -17.972 297 HE1 TYR 29 1HE TYR 29 4.112 8.230 -14.830 298 HE2 TYR 29 2HE TYR 29 7.853 7.025 -16.485 299 HH TYR 29 HH TYR 29 7.561 8.809 -15.198 300 H LYS 30 H LYS 30 5.640 2.705 -20.272 301 HA LYS 30 HA LYS 30 3.188 1.588 -21.445 302 2HB LYS 30 2HB LYS 30 5.287 0.326 -22.731 303 2HG LYS 30 2HG LYS 30 4.652 2.063 -24.597 304 2HD LYS 30 2HD LYS 30 2.133 0.799 -23.622 305 2HE LYS 30 2HE LYS 30 3.797 0.235 -26.115 306 1HZ LYS 30 1HZ LYS 30 2.054 -1.243 -26.143 307 2HZ LYS 30 2HZ LYS 30 1.067 -0.329 -25.226 308 H CYS 31 H CYS 31 2.790 0.788 -19.215 309 HA CYS 31 HA CYS 31 4.498 -1.531 -18.667 310 2HB CYS 31 2HB CYS 31 3.051 0.296 -16.746 311 H GLU 32 H GLU 32 3.399 -3.337 -19.364 312 HA GLU 32 HA GLU 32 0.522 -3.341 -18.873 313 2HB GLU 32 2HB GLU 32 2.019 -4.743 -21.132 314 2HG GLU 32 2HG GLU 32 -0.957 -4.279 -21.068 315 HE2 GLU 32 HE GLU 32 1.082 -5.222 -23.594 316 H ILE 33 H ILE 33 -0.399 -5.255 -17.987 317 HA ILE 33 HA ILE 33 1.592 -7.240 -17.133 318 HB ILE 33 HB ILE 33 -0.811 -6.177 -15.646 319 2HG1 ILE 33 2HG1 ILE 33 0.795 -5.313 -14.051 320 1HG2 ILE 33 1HG2 ILE 33 0.430 -7.692 -13.821 321 2HG2 ILE 33 2HG2 ILE 33 -0.867 -8.308 -14.873 322 3HG2 ILE 33 3HG2 ILE 33 0.836 -8.626 -15.282 323 1HD1 ILE 33 1HD1 ILE 33 2.541 -7.208 -14.963 324 2HD1 ILE 33 2HD1 ILE 33 3.128 -5.781 -15.851 325 3HD1 ILE 33 3HD1 ILE 33 3.049 -5.752 -14.074 326 H LEU 34 H LEU 34 1.200 -9.338 -17.680 327 HA LEU 34 HA LEU 34 -1.468 -9.893 -18.783 328 2HB LEU 34 2HB LEU 34 1.266 -10.651 -19.775 329 HG LEU 34 HG LEU 34 -0.832 -12.486 -19.773 330 1HD1 LEU 34 1HD1 LEU 34 -1.352 -12.611 -22.265 331 2HD1 LEU 34 2HD1 LEU 34 -2.193 -11.357 -21.323 332 3HD1 LEU 34 3HD1 LEU 34 -0.809 -10.919 -22.353 333 1HD2 LEU 34 1HD2 LEU 34 1.369 -13.235 -20.040 334 2HD2 LEU 34 2HD2 LEU 34 0.591 -13.588 -21.601 335 3HD2 LEU 34 3HD2 LEU 34 1.662 -12.175 -21.439 336 H ALA 35 H ALA 35 -2.052 -10.474 -16.545 337 HA ALA 35 HA ALA 35 -0.928 -13.098 -15.832 338 1HB ALA 35 1HB ALA 35 -1.635 -12.430 -13.474 339 2HB ALA 35 2HB ALA 35 -0.262 -11.524 -14.155 340 3HB ALA 35 3HB ALA 35 -1.880 -10.785 -14.107 Start of MODEL 8 1 H THR 12 H THR 12 21.781 -0.098 -14.332 2 HA THR 12 HA THR 12 19.573 -1.851 -15.195 3 HB THR 12 HB THR 12 19.519 -1.085 -12.771 4 HG1 THR 12 1HG THR 12 17.618 -1.410 -14.300 5 1HG2 THR 12 1HG2 THR 12 18.662 1.634 -13.699 6 2HG2 THR 12 2HG2 THR 12 19.460 1.158 -12.180 7 3HG2 THR 12 3HG2 THR 12 20.418 1.349 -13.668 8 H ALA 13 H ALA 13 20.672 -1.165 -17.358 9 HA ALA 13 HA ALA 13 18.984 0.907 -18.405 10 1HB ALA 13 1HB ALA 13 21.214 1.936 -19.451 11 2HB ALA 13 2HB ALA 13 20.592 2.481 -17.874 12 3HB ALA 13 3HB ALA 13 21.926 1.303 -17.947 13 H LEU 14 H LEU 14 18.342 0.278 -20.416 14 HA LEU 14 HA LEU 14 20.045 -1.711 -21.749 15 2HB LEU 14 2HB LEU 14 17.183 -1.700 -22.410 16 HG LEU 14 HG LEU 14 17.334 -4.033 -22.400 17 1HD1 LEU 14 1HD1 LEU 14 18.796 -2.735 -24.109 18 2HD1 LEU 14 2HD1 LEU 14 20.166 -3.414 -23.197 19 3HD1 LEU 14 3HD1 LEU 14 18.980 -4.499 -23.962 20 1HD2 LEU 14 1HD2 LEU 14 20.016 -4.110 -21.050 21 2HD2 LEU 14 2HD2 LEU 14 18.527 -3.978 -20.083 22 3HD2 LEU 14 3HD2 LEU 14 18.761 -5.369 -21.170 23 H ASN 15 H ASN 15 21.171 -0.519 -23.232 24 HA ASN 15 HA ASN 15 20.052 1.749 -24.435 25 2HB ASN 15 2HB ASN 15 22.239 0.486 -25.963 26 1HD2 ASN 15 1HD2 ASN 15 23.221 2.371 -23.326 27 2HD2 ASN 15 2HD2 ASN 15 23.270 3.930 -24.080 28 H THR 16 H THR 16 18.775 1.859 -26.307 29 HA THR 16 HA THR 16 18.799 -0.458 -28.106 30 HB THR 16 HB THR 16 16.372 0.882 -26.804 31 HG1 THR 16 1HG THR 16 17.420 -1.852 -27.020 32 1HG2 THR 16 1HG2 THR 16 15.065 0.073 -28.494 33 2HG2 THR 16 2HG2 THR 16 16.547 -0.297 -29.409 34 3HG2 THR 16 3HG2 THR 16 15.825 -1.528 -28.345 35 HA DPR 17 HA DPR 17 18.813 2.493 -31.218 36 1HB DPR 17 2HB DPR 17 21.475 2.693 -31.802 37 2HB DPR 17 3HB DPR 17 20.465 1.379 -32.372 38 1HG DPR 17 2HG DPR 17 22.486 1.362 -30.215 39 2HG DPR 17 3HG DPR 17 21.787 0.004 -31.075 40 1HD DPR 17 2HD DPR 17 21.133 0.875 -28.422 41 2HD DPR 17 3HD DPR 17 20.353 -0.407 -29.326 42 H ALA 18 H ALA 18 19.103 4.678 -31.855 43 HA ALA 18 HA ALA 18 20.764 6.400 -30.464 44 1HB ALA 18 1HB ALA 18 18.349 7.723 -31.346 45 2HB ALA 18 2HB ALA 18 19.979 7.772 -32.059 46 3HB ALA 18 3HB ALA 18 18.833 6.498 -32.544 47 H VAL 19 H VAL 19 17.233 5.692 -29.987 48 HA VAL 19 HA VAL 19 17.203 7.264 -27.585 49 HB VAL 19 HB VAL 19 14.862 6.384 -27.457 50 1HG1 VAL 19 1HG1 VAL 19 14.520 8.318 -28.518 51 2HG1 VAL 19 2HG1 VAL 19 16.044 8.158 -29.424 52 3HG1 VAL 19 3HG1 VAL 19 14.553 7.416 -30.051 53 1HG2 VAL 19 1HG2 VAL 19 13.960 4.920 -28.985 54 2HG2 VAL 19 2HG2 VAL 19 15.144 5.333 -30.249 55 3HG2 VAL 19 3HG2 VAL 19 15.621 4.287 -28.890 56 H GLN 20 H GLN 20 16.594 6.362 -25.451 57 HA GLN 20 HA GLN 20 17.796 3.723 -25.162 58 2HB GLN 20 2HB GLN 20 19.017 5.505 -23.986 59 2HG GLN 20 2HG GLN 20 16.252 6.177 -23.030 60 1HE2 GLN 20 1HE2 GLN 20 17.409 8.420 -21.554 61 2HE2 GLN 20 2HE2 GLN 20 17.864 7.828 -19.991 62 H LYS 21 H LYS 21 16.772 2.151 -23.768 63 HA LYS 21 HA LYS 21 14.136 2.851 -22.767 64 2HB LYS 21 2HB LYS 21 14.621 0.704 -24.849 65 2HG LYS 21 2HG LYS 21 11.857 1.152 -23.968 66 2HD LYS 21 2HD LYS 21 12.835 -0.771 -25.372 67 2HE LYS 21 2HE LYS 21 13.797 -1.583 -22.591 68 1HZ LYS 21 1HZ LYS 21 14.475 -3.631 -23.960 69 2HZ LYS 21 2HZ LYS 21 12.915 -3.545 -23.501 70 H TRP 22 H TRP 22 14.015 2.139 -20.711 71 HA TRP 22 HA TRP 22 15.940 0.122 -19.879 72 2HB TRP 22 2HB TRP 22 14.343 2.244 -18.526 73 HD1 TRP 22 HD TRP 22 13.360 1.871 -16.136 74 HE1 TRP 22 1HE TRP 22 13.451 0.061 -14.219 75 HE3 TRP 22 3HE TRP 22 16.787 -1.122 -18.407 76 HZ2 TRP 22 2HZ TRP 22 14.915 -2.364 -13.874 77 HZ3 TRP 22 3HZ TRP 22 17.494 -3.191 -17.211 78 HH2 TRP 22 HH TRP 22 16.615 -3.831 -15.021 79 H HIS 23 H HIS 23 15.340 -1.975 -19.418 80 HA HIS 23 HA HIS 23 12.518 -2.583 -19.787 81 2HB HIS 23 2HB HIS 23 14.634 -4.685 -19.522 82 HD1 HIS 23 1HD HIS 23 14.006 -5.991 -22.238 83 HD2 HIS 23 2HD HIS 23 11.074 -4.511 -19.629 84 HE1 HIS 23 1HE HIS 23 11.845 -7.215 -22.824 85 H PHE 24 H PHE 24 11.210 -3.106 -18.098 86 HA PHE 24 HA PHE 24 12.563 -3.699 -15.559 87 2HB PHE 24 2HB PHE 24 9.860 -2.376 -16.212 88 HD1 PHE 24 1HD PHE 24 12.352 -2.970 -13.492 89 HD2 PHE 24 2HD PHE 24 8.312 -2.164 -14.515 90 HE1 PHE 24 1HE PHE 24 11.699 -3.172 -11.076 91 HE2 PHE 24 2HE PHE 24 7.660 -2.367 -12.100 92 HZ PHE 24 HZ PHE 24 9.362 -2.869 -10.409 93 H VAL 25 H VAL 25 12.558 -6.003 -16.037 94 HA VAL 25 HA VAL 25 9.874 -7.172 -16.172 95 HB VAL 25 HB VAL 25 11.114 -9.227 -16.832 96 1HG1 VAL 25 1HG1 VAL 25 11.888 -8.222 -19.105 97 2HG1 VAL 25 2HG1 VAL 25 10.175 -8.093 -18.638 98 3HG1 VAL 25 3HG1 VAL 25 11.255 -6.690 -18.454 99 1HG2 VAL 25 1HG2 VAL 25 13.354 -7.812 -15.893 100 2HG2 VAL 25 2HG2 VAL 25 13.338 -9.393 -16.713 101 3HG2 VAL 25 3HG2 VAL 25 13.558 -7.902 -17.660 102 H LEU 26 H LEU 26 9.030 -7.602 -14.198 103 HA LEU 26 HA LEU 26 10.657 -9.136 -12.366 104 2HB LEU 26 2HB LEU 26 11.105 -6.736 -11.846 105 HG LEU 26 HG LEU 26 9.557 -5.370 -10.712 106 1HD1 LEU 26 1HD1 LEU 26 7.985 -4.784 -12.381 107 2HD1 LEU 26 2HD1 LEU 26 9.396 -5.454 -13.236 108 3HD1 LEU 26 3HD1 LEU 26 7.931 -6.443 -13.023 109 1HD2 LEU 26 1HD2 LEU 26 7.620 -5.995 -9.710 110 2HD2 LEU 26 2HD2 LEU 26 7.214 -7.185 -10.970 111 3HD2 LEU 26 3HD2 LEU 26 8.424 -7.583 -9.727 112 HA DPR 27 HA DPR 27 6.594 -10.181 -10.841 113 1HB DPR 27 2HB DPR 27 7.273 -12.603 -9.773 114 2HB DPR 27 3HB DPR 27 7.294 -11.111 -8.855 115 1HG DPR 27 2HG DPR 27 9.572 -12.651 -9.941 116 2HG DPR 27 3HG DPR 27 9.573 -11.426 -8.688 117 1HD DPR 27 2HD DPR 27 10.422 -11.099 -11.409 118 2HD DPR 27 3HD DPR 27 10.312 -9.847 -10.187 119 H GLY 28 H GLY 28 5.409 -10.392 -12.666 120 1HA GLY 28 1HA GLY 28 6.139 -12.569 -14.460 121 2HA GLY 28 2HA GLY 28 4.607 -12.731 -13.625 122 H TYR 29 H TYR 29 6.063 -9.596 -14.599 123 HA TYR 29 HA TYR 29 4.043 -9.392 -16.719 124 2HB TYR 29 2HB TYR 29 3.489 -7.168 -15.829 125 HD1 TYR 29 1HD TYR 29 2.213 -9.740 -15.260 126 HD2 TYR 29 2HD TYR 29 4.150 -7.014 -12.593 127 HE1 TYR 29 1HE TYR 29 0.805 -10.615 -13.333 128 HE2 TYR 29 2HE TYR 29 2.737 -7.898 -10.675 129 HH TYR 29 HH TYR 29 0.826 -9.038 -10.226 130 H LYS 30 H LYS 30 4.555 -7.753 -18.371 131 HA LYS 30 HA LYS 30 7.444 -7.221 -18.459 132 2HB LYS 30 2HB LYS 30 5.644 -7.745 -20.837 133 2HG LYS 30 2HG LYS 30 8.681 -7.759 -20.515 134 2HD LYS 30 2HD LYS 30 6.896 -8.798 -22.545 135 2HE LYS 30 2HE LYS 30 7.540 -6.173 -23.180 136 1HZ LYS 30 1HZ LYS 30 9.526 -7.952 -24.493 137 2HZ LYS 30 2HZ LYS 30 9.279 -6.388 -24.867 138 H CYS 31 H CYS 31 7.708 -5.110 -17.923 139 HA CYS 31 HA CYS 31 5.811 -3.235 -19.138 140 2HB CYS 31 2HB CYS 31 7.233 -3.179 -16.487 141 H GLU 32 H GLU 32 6.752 -1.272 -20.053 142 HA GLU 32 HA GLU 32 9.647 -1.315 -20.244 143 2HB GLU 32 2HB GLU 32 9.516 -0.860 -22.695 144 2HG GLU 32 2HG GLU 32 8.172 -3.404 -21.685 145 HE2 GLU 32 HE GLU 32 10.444 -3.106 -24.164 146 H ILE 33 H ILE 33 10.604 0.779 -20.522 147 HA ILE 33 HA ILE 33 8.677 2.991 -20.392 148 HB ILE 33 HB ILE 33 11.205 2.631 -18.779 149 2HG1 ILE 33 2HG1 ILE 33 8.763 1.561 -18.250 150 1HG2 ILE 33 1HG2 ILE 33 9.852 5.029 -19.631 151 2HG2 ILE 33 2HG2 ILE 33 9.750 4.858 -17.862 152 3HG2 ILE 33 3HG2 ILE 33 11.337 4.842 -18.668 153 1HD1 ILE 33 1HD1 ILE 33 9.562 1.262 -16.014 154 2HD1 ILE 33 2HD1 ILE 33 11.025 1.357 -17.023 155 3HD1 ILE 33 3HD1 ILE 33 10.508 2.769 -16.070 156 H LEU 34 H LEU 34 8.982 4.559 -21.899 157 HA LEU 34 HA LEU 34 11.487 4.393 -23.419 158 2HB LEU 34 2HB LEU 34 10.054 5.633 -25.158 159 HG LEU 34 HG LEU 34 9.573 2.738 -24.446 160 1HD1 LEU 34 1HD1 LEU 34 8.238 4.408 -26.544 161 2HD1 LEU 34 2HD1 LEU 34 8.637 2.710 -26.898 162 3HD1 LEU 34 3HD1 LEU 34 7.578 3.108 -25.524 163 1HD2 LEU 34 1HD2 LEU 34 11.428 2.360 -25.597 164 2HD2 LEU 34 2HD2 LEU 34 10.759 3.200 -27.017 165 3HD2 LEU 34 3HD2 LEU 34 11.651 4.116 -25.779 166 H ALA 35 H ALA 35 12.281 6.529 -24.304 167 HA ALA 35 HA ALA 35 11.776 8.626 -22.304 168 1HB ALA 35 1HB ALA 35 14.066 7.439 -22.381 169 2HB ALA 35 2HB ALA 35 14.312 8.282 -23.929 170 3HB ALA 35 3HB ALA 35 14.068 9.218 -22.434 171 H THR 12 H THR 12 -8.697 -1.012 -22.098 172 HA THR 12 HA THR 12 -10.926 -2.825 -22.751 173 HB THR 12 HB THR 12 -8.060 -2.726 -23.814 174 HG1 THR 12 1HG THR 12 -10.021 -1.515 -24.724 175 1HG2 THR 12 1HG2 THR 12 -9.975 -5.009 -23.557 176 2HG2 THR 12 2HG2 THR 12 -9.351 -4.732 -25.202 177 3HG2 THR 12 3HG2 THR 12 -8.221 -5.034 -23.861 178 H ALA 13 H ALA 13 -11.278 -3.113 -20.474 179 HA ALA 13 HA ALA 13 -9.176 -4.792 -19.287 180 1HB ALA 13 1HB ALA 13 -9.461 -3.751 -17.218 181 2HB ALA 13 2HB ALA 13 -9.636 -2.379 -18.339 182 3HB ALA 13 3HB ALA 13 -11.081 -3.141 -17.631 183 H LEU 14 H LEU 14 -9.878 -6.868 -19.335 184 HA LEU 14 HA LEU 14 -12.661 -7.321 -18.541 185 2HB LEU 14 2HB LEU 14 -11.385 -8.989 -20.677 186 HG LEU 14 HG LEU 14 -14.165 -8.476 -19.718 187 1HD1 LEU 14 1HD1 LEU 14 -14.091 -7.634 -22.080 188 2HD1 LEU 14 2HD1 LEU 14 -13.620 -9.275 -22.587 189 3HD1 LEU 14 3HD1 LEU 14 -15.197 -9.002 -21.805 190 1HD2 LEU 14 1HD2 LEU 14 -13.470 -10.557 -19.045 191 2HD2 LEU 14 2HD2 LEU 14 -14.248 -10.955 -20.597 192 3HD2 LEU 14 3HD2 LEU 14 -12.475 -10.821 -20.498 193 H ASN 15 H ASN 15 -12.686 -8.508 -16.717 194 HA ASN 15 HA ASN 15 -10.408 -10.283 -16.324 195 2HB ASN 15 2HB ASN 15 -11.576 -10.028 -13.821 196 1HD2 ASN 15 1HD2 ASN 15 -9.615 -10.459 -13.074 197 2HD2 ASN 15 2HD2 ASN 15 -8.217 -9.447 -13.221 198 H THR 16 H THR 16 -11.594 -11.993 -17.546 199 HA THR 16 HA THR 16 -13.787 -13.148 -15.956 200 HB THR 16 HB THR 16 -13.531 -12.580 -18.923 201 HG1 THR 16 1HG THR 16 -15.892 -12.190 -18.308 202 1HG2 THR 16 1HG2 THR 16 -14.004 -15.130 -18.464 203 2HG2 THR 16 2HG2 THR 16 -15.549 -14.559 -17.789 204 3HG2 THR 16 3HG2 THR 16 -15.151 -14.240 -19.494 205 HA DPR 17 HA DPR 17 -11.924 -17.044 -16.883 206 1HB DPR 17 2HB DPR 17 -12.932 -18.378 -14.722 207 2HB DPR 17 3HB DPR 17 -13.749 -18.306 -16.270 208 1HG DPR 17 2HG DPR 17 -14.384 -16.861 -13.770 209 2HG DPR 17 3HG DPR 17 -15.404 -17.135 -15.169 210 1HD DPR 17 2HD DPR 17 -14.054 -14.700 -14.479 211 2HD DPR 17 3HD DPR 17 -14.978 -15.009 -15.935 212 H ALA 18 H ALA 18 -9.827 -17.407 -16.572 213 HA ALA 18 HA ALA 18 -8.846 -16.546 -13.940 214 1HB ALA 18 1HB ALA 18 -7.166 -18.513 -14.333 215 2HB ALA 18 2HB ALA 18 -8.801 -18.880 -13.735 216 3HB ALA 18 3HB ALA 18 -8.406 -19.123 -15.453 217 H VAL 19 H VAL 19 -9.060 -15.309 -16.748 218 HA VAL 19 HA VAL 19 -6.189 -15.045 -17.283 219 HB VAL 19 HB VAL 19 -7.674 -15.842 -19.103 220 1HG1 VAL 19 1HG1 VAL 19 -9.699 -14.905 -19.286 221 2HG1 VAL 19 2HG1 VAL 19 -9.226 -13.508 -18.289 222 3HG1 VAL 19 3HG1 VAL 19 -8.885 -13.511 -20.036 223 1HG2 VAL 19 1HG2 VAL 19 -6.496 -13.104 -19.673 224 2HG2 VAL 19 2HG2 VAL 19 -5.537 -14.595 -19.506 225 3HG2 VAL 19 3HG2 VAL 19 -6.728 -14.445 -20.821 226 H GLN 20 H GLN 20 -5.308 -12.885 -17.616 227 HA GLN 20 HA GLN 20 -6.998 -10.800 -16.496 228 2HB GLN 20 2HB GLN 20 -4.061 -11.055 -15.759 229 2HG GLN 20 2HG GLN 20 -6.262 -9.199 -15.182 230 1HE2 GLN 20 1HE2 GLN 20 -4.708 -8.152 -12.883 231 2HE2 GLN 20 2HE2 GLN 20 -5.256 -9.014 -11.484 232 H LYS 21 H LYS 21 -7.186 -9.223 -18.023 233 HA LYS 21 HA LYS 21 -4.784 -8.616 -19.595 234 2HB LYS 21 2HB LYS 21 -5.976 -9.712 -21.223 235 2HG LYS 21 2HG LYS 21 -8.572 -8.536 -20.127 236 2HD LYS 21 2HD LYS 21 -8.025 -9.629 -22.634 237 2HE LYS 21 2HE LYS 21 -9.726 -11.777 -21.608 238 1HZ LYS 21 1HZ LYS 21 -8.478 -12.978 -23.126 239 2HZ LYS 21 2HZ LYS 21 -8.278 -11.489 -23.754 240 H TRP 22 H TRP 22 -4.391 -6.972 -17.947 241 HA TRP 22 HA TRP 22 -6.301 -4.745 -18.142 242 2HB TRP 22 2HB TRP 22 -4.639 -5.802 -15.900 243 HD1 TRP 22 HD TRP 22 -3.113 -4.121 -14.624 244 HE1 TRP 22 1HE TRP 22 -3.038 -1.545 -14.055 245 HE3 TRP 22 3HE TRP 22 -7.326 -2.893 -17.194 246 HZ2 TRP 22 2HZ TRP 22 -4.711 0.667 -14.727 247 HZ3 TRP 22 3HZ TRP 22 -8.035 -0.502 -17.188 248 HH2 TRP 22 HH TRP 22 -6.802 1.249 -16.010 249 H HIS 23 H HIS 23 -5.416 -2.636 -18.555 250 HA HIS 23 HA HIS 23 -2.678 -2.757 -19.591 251 2HB HIS 23 2HB HIS 23 -4.481 -2.414 -21.279 252 HD1 HIS 23 1HD HIS 23 -6.895 -1.715 -21.049 253 HD2 HIS 23 2HD HIS 23 -4.225 1.284 -19.832 254 HE1 HIS 23 1HE HIS 23 -8.308 0.363 -20.600 255 H PHE 24 H PHE 24 -1.163 -1.352 -18.770 256 HA PHE 24 HA PHE 24 -2.191 0.628 -16.859 257 2HB PHE 24 2HB PHE 24 0.487 -0.887 -16.913 258 HD1 PHE 24 1HD PHE 24 1.886 0.848 -16.083 259 HD2 PHE 24 2HD PHE 24 -1.735 -0.085 -14.077 260 HE1 PHE 24 1HE PHE 24 2.603 2.259 -14.135 261 HE2 PHE 24 2HE PHE 24 -1.019 1.326 -12.128 262 HZ PHE 24 HZ PHE 24 1.141 2.481 -12.181 263 H VAL 25 H VAL 25 -2.187 2.462 -18.183 264 HA VAL 25 HA VAL 25 0.475 3.241 -19.130 265 HB VAL 25 HB VAL 25 -2.007 3.954 -20.652 266 1HG1 VAL 25 1HG1 VAL 25 0.716 3.423 -21.812 267 2HG1 VAL 25 2HG1 VAL 25 -0.567 4.521 -22.375 268 3HG1 VAL 25 3HG1 VAL 25 0.405 4.946 -20.946 269 1HG2 VAL 25 1HG2 VAL 25 -2.206 1.582 -20.598 270 2HG2 VAL 25 2HG2 VAL 25 -1.477 1.993 -22.169 271 3HG2 VAL 25 3HG2 VAL 25 -0.459 1.357 -20.854 272 H LEU 26 H LEU 26 0.273 4.173 -16.823 273 HA LEU 26 HA LEU 26 -1.156 6.734 -17.013 274 2HB LEU 26 2HB LEU 26 -2.201 5.271 -15.394 275 HG LEU 26 HG LEU 26 0.053 4.077 -14.755 276 1HD1 LEU 26 1HD1 LEU 26 0.021 6.459 -12.892 277 2HD1 LEU 26 2HD1 LEU 26 0.898 4.950 -12.544 278 3HD1 LEU 26 3HD1 LEU 26 1.328 5.920 -13.973 279 1HD2 LEU 26 1HD2 LEU 26 -2.241 4.713 -12.896 280 2HD2 LEU 26 2HD2 LEU 26 -1.982 3.263 -13.896 281 3HD2 LEU 26 3HD2 LEU 26 -0.953 3.559 -12.475 282 HA DPR 27 HA DPR 27 2.588 8.429 -15.233 283 1HB DPR 27 2HB DPR 27 2.051 11.050 -15.787 284 2HB DPR 27 3HB DPR 27 1.631 10.287 -14.267 285 1HG DPR 27 2HG DPR 27 -0.133 11.019 -16.523 286 2HG DPR 27 3HG DPR 27 -0.565 10.660 -14.863 287 1HD DPR 27 2HD DPR 27 -0.871 8.929 -17.129 288 2HD DPR 27 3HD DPR 27 -1.195 8.529 -15.453 289 H GLY 28 H GLY 28 4.229 7.741 -16.470 290 1HA GLY 28 1HA GLY 28 4.179 8.611 -19.269 291 2HA GLY 28 2HA GLY 28 5.522 9.128 -18.268 292 H TYR 29 H TYR 29 3.961 6.033 -17.555 293 HA TYR 29 HA TYR 29 6.318 4.682 -18.689 294 2HB TYR 29 2HB TYR 29 5.320 2.974 -16.810 295 HD1 TYR 29 1HD TYR 29 6.409 2.937 -14.499 296 HD2 TYR 29 2HD TYR 29 7.274 5.937 -17.424 297 HE1 TYR 29 1HE TYR 29 8.561 3.517 -13.278 298 HE2 TYR 29 2HE TYR 29 9.424 6.507 -16.193 299 HH TYR 29 HH TYR 29 10.839 5.838 -14.643 300 H LYS 30 H LYS 30 5.975 2.482 -19.521 301 HA LYS 30 HA LYS 30 3.191 2.056 -20.351 302 2HB LYS 30 2HB LYS 30 4.470 0.964 -22.415 303 2HG LYS 30 2HG LYS 30 4.431 3.934 -22.611 304 2HD LYS 30 2HD LYS 30 2.854 1.701 -23.977 305 2HE LYS 30 2HE LYS 30 3.309 4.343 -25.293 306 1HZ LYS 30 1HZ LYS 30 0.656 3.319 -25.161 307 2HZ LYS 30 2HZ LYS 30 1.591 3.539 -26.476 308 H CYS 31 H CYS 31 2.595 0.481 -18.896 309 HA CYS 31 HA CYS 31 4.322 -1.886 -18.885 310 2HB CYS 31 2HB CYS 31 3.661 -2.343 -16.613 311 H GLU 32 H GLU 32 3.195 -3.927 -19.017 312 HA GLU 32 HA GLU 32 0.324 -3.767 -19.272 313 2HB GLU 32 2HB GLU 32 1.035 -3.427 -21.573 314 2HG GLU 32 2HG GLU 32 3.273 -4.957 -20.863 315 HE2 GLU 32 HE GLU 32 3.353 -7.448 -20.905 316 H ILE 33 H ILE 33 -0.664 -5.552 -18.366 317 HA ILE 33 HA ILE 33 1.138 -7.749 -17.632 318 HB ILE 33 HB ILE 33 -1.321 -6.611 -16.321 319 2HG1 ILE 33 2HG1 ILE 33 0.970 -5.581 -15.952 320 1HG2 ILE 33 1HG2 ILE 33 -1.858 -8.598 -15.502 321 2HG2 ILE 33 2HG2 ILE 33 -0.501 -9.357 -16.371 322 3HG2 ILE 33 3HG2 ILE 33 -0.254 -8.698 -14.736 323 1HD1 ILE 33 1HD1 ILE 33 -0.500 -6.845 -13.593 324 2HD1 ILE 33 2HD1 ILE 33 0.690 -5.529 -13.461 325 3HD1 ILE 33 3HD1 ILE 33 -0.843 -5.258 -14.322 326 H LEU 34 H LEU 34 1.014 -9.134 -19.379 327 HA LEU 34 HA LEU 34 -1.691 -10.126 -19.946 328 2HB LEU 34 2HB LEU 34 -0.223 -10.539 -22.261 329 HG LEU 34 HG LEU 34 -2.059 -8.186 -21.738 330 1HD1 LEU 34 1HD1 LEU 34 -2.521 -8.443 -24.208 331 2HD1 LEU 34 2HD1 LEU 34 -0.908 -7.823 -23.780 332 3HD1 LEU 34 3HD1 LEU 34 -1.106 -9.520 -24.279 333 1HD2 LEU 34 1HD2 LEU 34 -3.354 -10.019 -21.116 334 2HD2 LEU 34 2HD2 LEU 34 -3.768 -9.777 -22.831 335 3HD2 LEU 34 3HD2 LEU 34 -2.642 -11.074 -22.361 336 H ALA 35 H ALA 35 -1.884 -12.205 -19.331 337 HA ALA 35 HA ALA 35 0.564 -13.834 -19.410 338 1HB ALA 35 1HB ALA 35 0.258 -14.119 -17.201 339 2HB ALA 35 2HB ALA 35 -1.277 -13.218 -17.249 340 3HB ALA 35 3HB ALA 35 -1.262 -14.967 -17.576 Start of MODEL 9 1 H THR 12 H THR 12 17.801 -3.240 -22.784 2 HA THR 12 HA THR 12 17.346 -4.753 -20.297 3 HB THR 12 HB THR 12 19.937 -3.654 -21.512 4 HG1 THR 12 1HG THR 12 18.665 -5.526 -22.537 5 1HG2 THR 12 1HG2 THR 12 21.039 -4.501 -19.675 6 2HG2 THR 12 2HG2 THR 12 19.462 -4.368 -18.862 7 3HG2 THR 12 3HG2 THR 12 19.963 -5.916 -19.582 8 H ALA 13 H ALA 13 17.449 -3.719 -18.303 9 HA ALA 13 HA ALA 13 16.825 -0.912 -18.452 10 1HB ALA 13 1HB ALA 13 16.513 -1.258 -15.952 11 2HB ALA 13 2HB ALA 13 15.488 -2.274 -16.994 12 3HB ALA 13 3HB ALA 13 16.931 -2.968 -16.215 13 H LEU 14 H LEU 14 19.103 -0.539 -19.424 14 HA LEU 14 HA LEU 14 20.918 -0.037 -17.171 15 2HB LEU 14 2HB LEU 14 22.494 -0.359 -19.460 16 HG LEU 14 HG LEU 14 23.395 -2.353 -18.413 17 1HD1 LEU 14 1HD1 LEU 14 24.356 -1.335 -16.582 18 2HD1 LEU 14 2HD1 LEU 14 23.749 0.068 -17.494 19 3HD1 LEU 14 3HD1 LEU 14 22.841 -0.540 -16.089 20 1HD2 LEU 14 1HD2 LEU 14 22.293 -3.717 -17.031 21 2HD2 LEU 14 2HD2 LEU 14 21.674 -2.371 -16.044 22 3HD2 LEU 14 3HD2 LEU 14 20.831 -2.838 -17.541 23 H ASN 15 H ASN 15 22.577 1.726 -17.784 24 HA ASN 15 HA ASN 15 21.060 3.778 -19.168 25 2HB ASN 15 2HB ASN 15 23.370 3.914 -17.165 26 1HD2 ASN 15 1HD2 ASN 15 23.009 6.305 -16.157 27 2HD2 ASN 15 2HD2 ASN 15 23.233 7.577 -17.310 28 H THR 16 H THR 16 21.702 3.758 -21.351 29 HA THR 16 HA THR 16 24.570 4.042 -21.862 30 HB THR 16 HB THR 16 22.762 1.799 -22.672 31 HG1 THR 16 1HG THR 16 25.631 2.410 -22.523 32 1HG2 THR 16 1HG2 THR 16 24.440 1.535 -24.707 33 2HG2 THR 16 2HG2 THR 16 22.983 2.535 -24.920 34 3HG2 THR 16 3HG2 THR 16 24.554 3.309 -24.607 35 HA DPR 17 HA DPR 17 23.276 6.515 -25.236 36 1HB DPR 17 2HB DPR 17 25.266 8.376 -25.023 37 2HB DPR 17 3HB DPR 17 25.424 6.907 -25.966 38 1HG DPR 17 2HG DPR 17 26.604 7.557 -23.334 39 2HG DPR 17 3HG DPR 17 27.074 6.307 -24.469 40 1HD DPR 17 2HD DPR 17 25.582 5.949 -22.046 41 2HD DPR 17 3HD DPR 17 25.952 4.721 -23.240 42 H ALA 18 H ALA 18 22.840 8.956 -25.565 43 HA ALA 18 HA ALA 18 22.501 10.532 -23.299 44 1HB ALA 18 1HB ALA 18 20.540 11.132 -25.334 45 2HB ALA 18 2HB ALA 18 22.031 12.012 -24.921 46 3HB ALA 18 3HB ALA 18 22.079 10.686 -26.108 47 H VAL 19 H VAL 19 20.014 8.653 -25.182 48 HA VAL 19 HA VAL 19 18.128 8.997 -23.040 49 HB VAL 19 HB VAL 19 16.666 7.668 -24.511 50 1HG1 VAL 19 1HG1 VAL 19 18.074 10.139 -25.430 51 2HG1 VAL 19 2HG1 VAL 19 16.985 9.325 -26.578 52 3HG1 VAL 19 3HG1 VAL 19 16.365 9.883 -25.006 53 1HG2 VAL 19 1HG2 VAL 19 18.866 6.480 -25.489 54 2HG2 VAL 19 2HG2 VAL 19 17.335 6.573 -26.394 55 3HG2 VAL 19 3HG2 VAL 19 18.646 7.729 -26.738 56 H GLN 20 H GLN 20 17.165 7.236 -21.819 57 HA GLN 20 HA GLN 20 19.002 4.975 -21.624 58 2HB GLN 20 2HB GLN 20 18.646 4.912 -19.247 59 2HG GLN 20 2HG GLN 20 19.641 7.260 -20.542 60 1HE2 GLN 20 1HE2 GLN 20 18.255 7.043 -17.266 61 2HE2 GLN 20 2HE2 GLN 20 17.607 8.649 -17.194 62 H LYS 21 H LYS 21 17.932 2.922 -20.748 63 HA LYS 21 HA LYS 21 15.142 2.813 -21.661 64 2HB LYS 21 2HB LYS 21 15.919 0.304 -22.121 65 2HG LYS 21 2HG LYS 21 15.576 2.713 -23.690 66 2HD LYS 21 2HD LYS 21 18.149 1.628 -24.084 67 2HE LYS 21 2HE LYS 21 16.558 -0.181 -25.347 68 1HZ LYS 21 1HZ LYS 21 16.134 2.087 -26.840 69 2HZ LYS 21 2HZ LYS 21 17.230 1.263 -27.718 70 H TRP 22 H TRP 22 13.673 1.743 -20.343 71 HA TRP 22 HA TRP 22 14.806 0.691 -17.840 72 2HB TRP 22 2HB TRP 22 12.690 1.482 -16.768 73 HD1 TRP 22 HD TRP 22 12.967 4.844 -18.089 74 HE1 TRP 22 1HE TRP 22 14.789 6.349 -16.912 75 HE3 TRP 22 3HE TRP 22 15.422 1.013 -15.820 76 HZ2 TRP 22 2HZ TRP 22 17.001 5.780 -15.201 77 HZ3 TRP 22 3HZ TRP 22 17.403 1.574 -14.414 78 HH2 TRP 22 HH TRP 22 18.200 3.861 -14.087 79 H HIS 23 H HIS 23 14.854 -1.355 -19.194 80 HA HIS 23 HA HIS 23 12.166 -2.431 -19.586 81 2HB HIS 23 2HB HIS 23 14.646 -3.792 -20.576 82 HD1 HIS 23 1HD HIS 23 13.983 -4.629 -23.190 83 HD2 HIS 23 2HD HIS 23 10.878 -3.909 -20.464 84 HE1 HIS 23 1HE HIS 23 11.937 -5.858 -24.094 85 H PHE 24 H PHE 24 11.519 -3.199 -17.591 86 HA PHE 24 HA PHE 24 13.373 -5.094 -16.329 87 2HB PHE 24 2HB PHE 24 11.147 -3.321 -15.155 88 HD1 PHE 24 1HD PHE 24 14.389 -4.674 -13.910 89 HD2 PHE 24 2HD PHE 24 10.181 -4.493 -13.401 90 HE1 PHE 24 1HE PHE 24 14.597 -5.928 -11.745 91 HE2 PHE 24 2HE PHE 24 10.387 -5.747 -11.237 92 HZ PHE 24 HZ PHE 24 12.594 -6.450 -10.435 93 H VAL 25 H VAL 25 12.700 -7.147 -16.756 94 HA VAL 25 HA VAL 25 9.806 -7.629 -16.565 95 HB VAL 25 HB VAL 25 10.267 -9.488 -18.224 96 1HG1 VAL 25 1HG1 VAL 25 10.781 -7.216 -19.913 97 2HG1 VAL 25 2HG1 VAL 25 9.259 -8.099 -19.646 98 3HG1 VAL 25 3HG1 VAL 25 9.694 -6.736 -18.588 99 1HG2 VAL 25 1HG2 VAL 25 12.695 -9.569 -18.063 100 2HG2 VAL 25 2HG2 VAL 25 12.209 -9.168 -19.727 101 3HG2 VAL 25 3HG2 VAL 25 12.816 -7.892 -18.645 102 H LEU 26 H LEU 26 9.570 -8.522 -14.560 103 HA LEU 26 HA LEU 26 11.351 -10.777 -13.963 104 2HB LEU 26 2HB LEU 26 11.837 -8.672 -12.659 105 HG LEU 26 HG LEU 26 10.535 -8.130 -10.735 106 1HD1 LEU 26 1HD1 LEU 26 8.821 -6.907 -11.706 107 2HD1 LEU 26 2HD1 LEU 26 9.918 -7.197 -13.077 108 3HD1 LEU 26 3HD1 LEU 26 8.444 -8.177 -12.895 109 1HD2 LEU 26 1HD2 LEU 26 9.038 -9.464 -9.771 110 2HD2 LEU 26 2HD2 LEU 26 8.101 -9.627 -11.275 111 3HD2 LEU 26 3HD2 LEU 26 9.490 -10.698 -10.971 112 HA DPR 27 HA DPR 27 7.685 -12.711 -12.398 113 1HB DPR 27 2HB DPR 27 8.463 -15.283 -12.901 114 2HB DPR 27 3HB DPR 27 8.799 -14.458 -11.392 115 1HG DPR 27 2HG DPR 27 10.641 -15.065 -13.624 116 2HG DPR 27 3HG DPR 27 11.025 -14.640 -11.968 117 1HD DPR 27 2HD DPR 27 11.191 -12.927 -14.263 118 2HD DPR 27 3HD DPR 27 11.463 -12.471 -12.594 119 H GLY 28 H GLY 28 6.138 -11.974 -13.782 120 1HA GLY 28 1HA GLY 28 6.217 -13.129 -16.480 121 2HA GLY 28 2HA GLY 28 4.824 -13.456 -15.467 122 H TYR 29 H TYR 29 6.596 -10.393 -15.134 123 HA TYR 29 HA TYR 29 4.239 -9.028 -16.218 124 2HB TYR 29 2HB TYR 29 5.629 -7.113 -14.934 125 HD1 TYR 29 1HD TYR 29 4.067 -6.226 -13.479 126 HD2 TYR 29 2HD TYR 29 4.681 -10.460 -13.498 127 HE1 TYR 29 1HE TYR 29 2.280 -6.500 -11.691 128 HE2 TYR 29 2HE TYR 29 2.892 -10.721 -11.710 129 HH TYR 29 HH TYR 29 1.562 -9.702 -10.337 130 H LYS 30 H LYS 30 4.599 -7.015 -17.474 131 HA LYS 30 HA LYS 30 7.208 -6.949 -18.792 132 2HB LYS 30 2HB LYS 30 5.420 -6.407 -20.842 133 2HG LYS 30 2HG LYS 30 6.055 -8.979 -21.352 134 2HD LYS 30 2HD LYS 30 8.585 -7.761 -21.512 135 2HE LYS 30 2HE LYS 30 6.248 -7.470 -23.460 136 1HZ LYS 30 1HZ LYS 30 8.674 -6.370 -23.677 137 2HZ LYS 30 2HZ LYS 30 8.994 -7.820 -24.346 138 H CYS 31 H CYS 31 7.906 -5.030 -17.924 139 HA CYS 31 HA CYS 31 6.023 -2.797 -18.097 140 2HB CYS 31 2HB CYS 31 8.492 -2.355 -16.582 141 H GLU 32 H GLU 32 6.534 -1.076 -19.464 142 HA GLU 32 HA GLU 32 9.226 -1.077 -20.563 143 2HB GLU 32 2HB GLU 32 6.825 -0.492 -22.319 144 2HG GLU 32 2HG GLU 32 9.350 0.013 -22.888 145 HE2 GLU 32 HE GLU 32 11.349 -1.265 -22.648 146 H ILE 33 H ILE 33 10.085 0.823 -19.825 147 HA ILE 33 HA ILE 33 8.372 3.198 -20.060 148 HB ILE 33 HB ILE 33 10.349 2.530 -17.877 149 2HG1 ILE 33 2HG1 ILE 33 8.016 1.430 -17.903 150 1HG2 ILE 33 1HG2 ILE 33 10.635 4.798 -18.037 151 2HG2 ILE 33 2HG2 ILE 33 8.991 5.079 -18.661 152 3HG2 ILE 33 3HG2 ILE 33 9.239 4.723 -16.934 153 1HD1 ILE 33 1HD1 ILE 33 9.603 1.784 -15.892 154 2HD1 ILE 33 2HD1 ILE 33 8.594 3.196 -15.494 155 3HD1 ILE 33 3HD1 ILE 33 7.876 1.568 -15.519 156 H LEU 34 H LEU 34 9.121 3.978 -22.012 157 HA LEU 34 HA LEU 34 12.031 4.264 -22.237 158 2HB LEU 34 2HB LEU 34 9.941 4.395 -24.413 159 HG LEU 34 HG LEU 34 11.743 3.975 -25.965 160 1HD1 LEU 34 1HD1 LEU 34 12.845 6.271 -24.401 161 2HD1 LEU 34 2HD1 LEU 34 12.497 6.126 -26.141 162 3HD1 LEU 34 3HD1 LEU 34 11.165 6.360 -24.984 163 1HD2 LEU 34 1HD2 LEU 34 13.241 2.641 -24.669 164 2HD2 LEU 34 2HD2 LEU 34 14.128 4.090 -25.204 165 3HD2 LEU 34 3HD2 LEU 34 13.539 3.975 -23.528 166 H ALA 35 H ALA 35 12.886 6.240 -21.902 167 HA ALA 35 HA ALA 35 11.064 8.529 -22.220 168 1HB ALA 35 1HB ALA 35 12.804 7.656 -20.009 169 2HB ALA 35 2HB ALA 35 13.071 9.347 -20.493 170 3HB ALA 35 3HB ALA 35 11.446 8.807 -20.008 171 H THR 12 H THR 12 -7.044 -0.673 -23.662 172 HA THR 12 HA THR 12 -9.141 -0.227 -21.640 173 HB THR 12 HB THR 12 -9.842 0.277 -24.026 174 HG1 THR 12 1HG THR 12 -10.842 -2.211 -22.828 175 1HG2 THR 12 1HG2 THR 12 -10.238 -2.424 -24.892 176 2HG2 THR 12 2HG2 THR 12 -9.255 -1.174 -25.689 177 3HG2 THR 12 3HG2 THR 12 -8.509 -2.269 -24.501 178 H ALA 13 H ALA 13 -9.942 -2.019 -20.526 179 HA ALA 13 HA ALA 13 -8.201 -4.368 -20.774 180 1HB ALA 13 1HB ALA 13 -9.893 -4.147 -18.378 181 2HB ALA 13 2HB ALA 13 -8.139 -4.411 -18.515 182 3HB ALA 13 3HB ALA 13 -8.797 -2.760 -18.588 183 H LEU 14 H LEU 14 -9.211 -5.681 -22.275 184 HA LEU 14 HA LEU 14 -12.023 -6.302 -21.692 185 2HB LEU 14 2HB LEU 14 -11.367 -7.025 -24.352 186 HG LEU 14 HG LEU 14 -12.945 -5.190 -24.991 187 1HD1 LEU 14 1HD1 LEU 14 -14.710 -6.535 -24.612 188 2HD1 LEU 14 2HD1 LEU 14 -13.472 -7.649 -23.983 189 3HD1 LEU 14 3HD1 LEU 14 -14.406 -6.629 -22.861 190 1HD2 LEU 14 1HD2 LEU 14 -13.980 -3.789 -23.447 191 2HD2 LEU 14 2HD2 LEU 14 -13.478 -4.780 -22.056 192 3HD2 LEU 14 3HD2 LEU 14 -12.279 -3.793 -22.925 193 H ASN 15 H ASN 15 -12.567 -8.437 -21.378 194 HA ASN 15 HA ASN 15 -10.293 -10.234 -21.353 195 2HB ASN 15 2HB ASN 15 -11.531 -10.069 -19.229 196 1HD2 ASN 15 1HD2 ASN 15 -13.741 -12.326 -19.518 197 2HD2 ASN 15 2HD2 ASN 15 -15.208 -11.420 -19.687 198 H THR 16 H THR 16 -10.223 -11.946 -22.845 199 HA THR 16 HA THR 16 -12.697 -12.468 -24.360 200 HB THR 16 HB THR 16 -10.958 -11.277 -25.695 201 HG1 THR 16 1HG THR 16 -12.310 -13.262 -26.406 202 1HG2 THR 16 1HG2 THR 16 -9.217 -13.753 -25.437 203 2HG2 THR 16 2HG2 THR 16 -8.772 -12.135 -26.031 204 3HG2 THR 16 3HG2 THR 16 -9.008 -12.409 -24.288 205 HA DPR 17 HA DPR 17 -12.274 -16.647 -23.463 206 1HB DPR 17 2HB DPR 17 -14.352 -16.976 -21.718 207 2HB DPR 17 3HB DPR 17 -14.559 -16.937 -23.458 208 1HG DPR 17 2HG DPR 17 -15.200 -14.846 -21.470 209 2HG DPR 17 3HG DPR 17 -15.774 -15.007 -23.118 210 1HD DPR 17 2HD DPR 17 -13.763 -13.194 -22.170 211 2HD DPR 17 3HD DPR 17 -14.254 -13.437 -23.835 212 H ALA 18 H ALA 18 -10.586 -17.521 -22.459 213 HA ALA 18 HA ALA 18 -10.527 -17.039 -19.569 214 1HB ALA 18 1HB ALA 18 -10.688 -19.394 -20.443 215 2HB ALA 18 2HB ALA 18 -9.101 -19.165 -21.215 216 3HB ALA 18 3HB ALA 18 -9.247 -19.095 -19.443 217 H VAL 19 H VAL 19 -9.651 -15.116 -21.727 218 HA VAL 19 HA VAL 19 -6.803 -15.028 -21.000 219 HB VAL 19 HB VAL 19 -8.236 -14.138 -23.507 220 1HG1 VAL 19 1HG1 VAL 19 -5.914 -13.478 -24.280 221 2HG1 VAL 19 2HG1 VAL 19 -6.648 -12.419 -23.053 222 3HG1 VAL 19 3HG1 VAL 19 -5.401 -13.598 -22.580 223 1HG2 VAL 19 1HG2 VAL 19 -6.832 -15.749 -24.643 224 2HG2 VAL 19 2HG2 VAL 19 -5.970 -16.124 -23.131 225 3HG2 VAL 19 3HG2 VAL 19 -7.686 -16.562 -23.310 226 H GLN 20 H GLN 20 -6.240 -13.378 -19.680 227 HA GLN 20 HA GLN 20 -8.105 -11.135 -19.594 228 2HB GLN 20 2HB GLN 20 -8.233 -12.171 -17.467 229 2HG GLN 20 2HG GLN 20 -5.734 -12.380 -16.318 230 1HE2 GLN 20 1HE2 GLN 20 -7.250 -13.609 -15.161 231 2HE2 GLN 20 2HE2 GLN 20 -7.652 -15.235 -15.602 232 H LYS 21 H LYS 21 -7.306 -9.186 -20.260 233 HA LYS 21 HA LYS 21 -4.391 -8.854 -20.155 234 2HB LYS 21 2HB LYS 21 -5.045 -7.347 -22.303 235 2HG LYS 21 2HG LYS 21 -4.638 -10.325 -22.682 236 2HD LYS 21 2HD LYS 21 -3.916 -7.769 -24.058 237 2HE LYS 21 2HE LYS 21 -1.795 -9.378 -23.181 238 1HZ LYS 21 1HZ LYS 21 -2.601 -11.059 -24.845 239 2HZ LYS 21 2HZ LYS 21 -2.307 -9.992 -26.039 240 H TRP 22 H TRP 22 -3.828 -7.208 -18.844 241 HA TRP 22 HA TRP 22 -5.812 -5.063 -18.500 242 2HB TRP 22 2HB TRP 22 -5.218 -4.850 -16.248 243 HD1 TRP 22 HD TRP 22 -4.036 -8.444 -16.060 244 HE1 TRP 22 1HE TRP 22 -5.972 -10.097 -15.367 245 HE3 TRP 22 3HE TRP 22 -7.812 -5.081 -16.600 246 HZ2 TRP 22 2HZ TRP 22 -8.802 -9.819 -15.129 247 HZ3 TRP 22 3HZ TRP 22 -10.133 -5.854 -16.117 248 HH2 TRP 22 HH TRP 22 -10.657 -8.132 -15.404 249 H HIS 23 H HIS 23 -5.129 -3.118 -19.294 250 HA HIS 23 HA HIS 23 -2.232 -2.795 -19.608 251 2HB HIS 23 2HB HIS 23 -3.688 -1.024 -21.320 252 HD1 HIS 23 1HD HIS 23 -2.635 -4.533 -22.332 253 HD2 HIS 23 2HD HIS 23 -1.169 -0.604 -22.436 254 HE1 HIS 23 1HE HIS 23 -0.539 -4.590 -23.786 255 H PHE 24 H PHE 24 -1.329 -1.234 -18.366 256 HA PHE 24 HA PHE 24 -3.129 0.884 -17.420 257 2HB PHE 24 2HB PHE 24 -0.694 -0.433 -16.076 258 HD1 PHE 24 1HD PHE 24 -3.719 1.682 -15.511 259 HD2 PHE 24 2HD PHE 24 0.160 0.586 -14.185 260 HE1 PHE 24 1HE PHE 24 -3.819 3.462 -13.745 261 HE2 PHE 24 2HE PHE 24 0.060 2.367 -12.418 262 HZ PHE 24 HZ PHE 24 -1.929 3.783 -12.220 263 H VAL 25 H VAL 25 -2.581 2.507 -18.893 264 HA VAL 25 HA VAL 25 0.280 3.098 -19.129 265 HB VAL 25 HB VAL 25 -2.011 4.103 -20.820 266 1HG1 VAL 25 1HG1 VAL 25 -0.474 5.127 -22.146 267 2HG1 VAL 25 2HG1 VAL 25 0.471 5.142 -20.638 268 3HG1 VAL 25 3HG1 VAL 25 0.767 3.883 -21.861 269 1HG2 VAL 25 1HG2 VAL 25 -2.103 2.162 -21.913 270 2HG2 VAL 25 2HG2 VAL 25 -0.343 2.180 -22.174 271 3HG2 VAL 25 3HG2 VAL 25 -1.017 1.458 -20.691 272 H LEU 26 H LEU 26 1.117 4.973 -18.295 273 HA LEU 26 HA LEU 26 -0.839 6.905 -17.264 274 2HB LEU 26 2HB LEU 26 1.170 7.207 -15.522 275 HG LEU 26 HG LEU 26 -1.023 5.130 -15.287 276 1HD1 LEU 26 1HD1 LEU 26 1.146 5.913 -13.411 277 2HD1 LEU 26 2HD1 LEU 26 -0.488 5.720 -12.731 278 3HD1 LEU 26 3HD1 LEU 26 0.281 4.368 -13.598 279 1HD2 LEU 26 1HD2 LEU 26 -2.358 6.895 -15.104 280 2HD2 LEU 26 2HD2 LEU 26 -1.519 7.296 -13.586 281 3HD2 LEU 26 3HD2 LEU 26 -0.978 8.019 -15.120 282 HA DPR 27 HA DPR 27 1.545 9.835 -19.348 283 1HB DPR 27 2HB DPR 27 0.304 10.020 -21.775 284 2HB DPR 27 3HB DPR 27 -0.311 10.787 -20.324 285 1HG DPR 27 2HG DPR 27 -1.298 8.364 -21.700 286 2HG DPR 27 3HG DPR 27 -2.122 9.375 -20.530 287 1HD DPR 27 2HD DPR 27 -0.938 6.808 -20.046 288 2HD DPR 27 3HD DPR 27 -1.660 7.870 -18.854 289 H GLY 28 H GLY 28 3.612 9.007 -19.404 290 1HA GLY 28 1HA GLY 28 4.339 8.071 -22.081 291 2HA GLY 28 2HA GLY 28 5.414 8.679 -20.838 292 H TYR 29 H TYR 29 4.181 7.041 -18.651 293 HA TYR 29 HA TYR 29 5.808 4.762 -18.937 294 2HB TYR 29 2HB TYR 29 3.927 4.273 -16.912 295 HD1 TYR 29 1HD TYR 29 5.168 3.744 -15.028 296 HD2 TYR 29 2HD TYR 29 6.463 6.983 -17.504 297 HE1 TYR 29 1HE TYR 29 7.224 4.050 -13.565 298 HE2 TYR 29 2HE TYR 29 8.515 7.279 -16.031 299 HH TYR 29 HH TYR 29 9.872 5.765 -14.514 300 H LYS 30 H LYS 30 5.417 3.058 -20.259 301 HA LYS 30 HA LYS 30 2.606 2.264 -20.578 302 2HB LYS 30 2HB LYS 30 4.932 2.298 -22.482 303 2HG LYS 30 2HG LYS 30 2.482 0.481 -22.566 304 2HD LYS 30 2HD LYS 30 3.860 -0.011 -24.893 305 2HE LYS 30 2HE LYS 30 1.673 2.105 -24.622 306 1HZ LYS 30 1HZ LYS 30 1.257 1.644 -26.827 307 2HZ LYS 30 2HZ LYS 30 2.868 1.405 -26.852 308 H CYS 31 H CYS 31 2.440 0.885 -18.790 309 HA CYS 31 HA CYS 31 4.280 -1.394 -18.885 310 2HB CYS 31 2HB CYS 31 2.809 -0.436 -16.429 311 H GLU 32 H GLU 32 3.285 -3.313 -19.423 312 HA GLU 32 HA GLU 32 0.387 -3.374 -19.090 313 2HB GLU 32 2HB GLU 32 0.817 -3.377 -21.440 314 2HG GLU 32 2HG GLU 32 2.378 -5.357 -22.295 315 HE2 GLU 32 HE GLU 32 4.797 -3.586 -20.684 316 H ILE 33 H ILE 33 -0.526 -5.160 -18.043 317 HA ILE 33 HA ILE 33 1.428 -7.098 -17.021 318 HB ILE 33 HB ILE 33 -1.224 -6.329 -15.806 319 2HG1 ILE 33 2HG1 ILE 33 -0.146 -4.813 -14.368 320 1HG2 ILE 33 1HG2 ILE 33 1.051 -8.111 -14.989 321 2HG2 ILE 33 2HG2 ILE 33 0.054 -7.306 -13.753 322 3HG2 ILE 33 3HG2 ILE 33 -0.704 -8.403 -14.933 323 1HD1 ILE 33 1HD1 ILE 33 2.497 -5.791 -15.545 324 2HD1 ILE 33 2HD1 ILE 33 2.316 -4.464 -14.373 325 3HD1 ILE 33 3HD1 ILE 33 1.902 -6.130 -13.902 326 H LEU 34 H LEU 34 1.218 -9.205 -17.598 327 HA LEU 34 HA LEU 34 -1.290 -9.919 -18.952 328 2HB LEU 34 2HB LEU 34 1.533 -10.844 -19.500 329 HG LEU 34 HG LEU 34 -1.075 -11.929 -20.407 330 1HD1 LEU 34 1HD1 LEU 34 -0.595 -12.203 -22.651 331 2HD1 LEU 34 2HD1 LEU 34 -0.018 -10.547 -22.346 332 3HD1 LEU 34 3HD1 LEU 34 1.144 -11.892 -22.431 333 1HD2 LEU 34 1HD2 LEU 34 0.166 -13.495 -19.264 334 2HD2 LEU 34 2HD2 LEU 34 0.601 -13.864 -20.949 335 3HD2 LEU 34 3HD2 LEU 34 1.714 -12.922 -19.929 336 H ALA 35 H ALA 35 -2.286 -11.875 -18.396 337 HA ALA 35 HA ALA 35 -1.064 -13.220 -16.083 338 1HB ALA 35 1HB ALA 35 -2.976 -12.887 -14.951 339 2HB ALA 35 2HB ALA 35 -3.524 -11.838 -16.280 340 3HB ALA 35 3HB ALA 35 -3.937 -13.569 -16.284 Start of MODEL 10 1 H THR 12 H THR 12 22.607 -2.882 -18.614 2 HA THR 12 HA THR 12 20.668 -3.860 -17.407 3 HB THR 12 HB THR 12 21.921 -2.103 -15.236 4 HG1 THR 12 1HG THR 12 22.520 -4.462 -15.789 5 1HG2 THR 12 1HG2 THR 12 19.846 -1.914 -14.299 6 2HG2 THR 12 2HG2 THR 12 19.124 -2.788 -15.672 7 3HG2 THR 12 3HG2 THR 12 19.741 -3.691 -14.268 8 H ALA 13 H ALA 13 20.705 -2.482 -19.598 9 HA ALA 13 HA ALA 13 18.630 -0.603 -19.245 10 1HB ALA 13 1HB ALA 13 20.237 0.988 -18.551 11 2HB ALA 13 2HB ALA 13 21.439 0.420 -19.734 12 3HB ALA 13 3HB ALA 13 20.007 1.323 -20.284 13 H LEU 14 H LEU 14 18.056 0.400 -21.461 14 HA LEU 14 HA LEU 14 19.159 -1.127 -23.674 15 2HB LEU 14 2HB LEU 14 16.194 -1.031 -23.512 16 HG LEU 14 HG LEU 14 18.245 -2.899 -24.667 17 1HD1 LEU 14 1HD1 LEU 14 15.474 -3.875 -24.790 18 2HD1 LEU 14 2HD1 LEU 14 16.999 -4.754 -24.524 19 3HD1 LEU 14 3HD1 LEU 14 16.201 -3.926 -23.166 20 1HD2 LEU 14 1HD2 LEU 14 16.668 -0.891 -25.732 21 2HD2 LEU 14 2HD2 LEU 14 17.493 -2.182 -26.638 22 3HD2 LEU 14 3HD2 LEU 14 15.790 -2.380 -26.160 23 H ASN 15 H ASN 15 20.054 1.186 -23.758 24 HA ASN 15 HA ASN 15 18.039 2.951 -24.891 25 2HB ASN 15 2HB ASN 15 19.285 3.939 -23.008 26 1HD2 ASN 15 1HD2 ASN 15 20.676 2.401 -22.078 27 2HD2 ASN 15 2HD2 ASN 15 22.380 2.393 -22.388 28 H THR 16 H THR 16 18.132 3.264 -27.127 29 HA THR 16 HA THR 16 20.719 2.848 -28.451 30 HB THR 16 HB THR 16 19.386 1.621 -30.259 31 HG1 THR 16 1HG THR 16 17.206 1.394 -29.812 32 1HG2 THR 16 1HG2 THR 16 20.078 0.623 -27.585 33 2HG2 THR 16 2HG2 THR 16 18.644 -0.215 -28.225 34 3HG2 THR 16 3HG2 THR 16 20.165 -0.223 -29.149 35 HA DPR 17 HA DPR 17 19.148 5.862 -31.302 36 1HB DPR 17 2HB DPR 17 21.575 6.641 -32.290 37 2HB DPR 17 3HB DPR 17 20.607 5.373 -33.015 38 1HG DPR 17 2HG DPR 17 23.052 5.130 -31.369 39 2HG DPR 17 3HG DPR 17 22.325 3.946 -32.438 40 1HD DPR 17 2HD DPR 17 22.195 3.981 -29.572 41 2HD DPR 17 3HD DPR 17 21.373 2.865 -30.645 42 H ALA 18 H ALA 18 18.263 7.366 -29.981 43 HA ALA 18 HA ALA 18 20.210 8.919 -28.446 44 1HB ALA 18 1HB ALA 18 18.010 10.393 -29.843 45 2HB ALA 18 2HB ALA 18 19.652 10.931 -29.414 46 3HB ALA 18 3HB ALA 18 19.402 9.872 -30.822 47 H VAL 19 H VAL 19 18.241 6.738 -27.841 48 HA VAL 19 HA VAL 19 16.322 8.286 -26.249 49 HB VAL 19 HB VAL 19 15.610 6.543 -28.002 50 1HG1 VAL 19 1HG1 VAL 19 17.288 4.906 -26.393 51 2HG1 VAL 19 2HG1 VAL 19 15.616 4.341 -26.161 52 3HG1 VAL 19 3HG1 VAL 19 16.304 4.434 -27.800 53 1HG2 VAL 19 1HG2 VAL 19 14.231 5.632 -25.625 54 2HG2 VAL 19 2HG2 VAL 19 14.510 7.388 -25.553 55 3HG2 VAL 19 3HG2 VAL 19 13.651 6.680 -26.942 56 H GLN 20 H GLN 20 15.753 7.078 -24.091 57 HA GLN 20 HA GLN 20 18.031 5.702 -23.009 58 2HB GLN 20 2HB GLN 20 18.883 7.722 -22.292 59 2HG GLN 20 2HG GLN 20 16.145 8.655 -22.862 60 1HE2 GLN 20 1HE2 GLN 20 17.444 11.347 -21.969 61 2HE2 GLN 20 2HE2 GLN 20 16.886 11.561 -20.343 62 H LYS 21 H LYS 21 16.215 4.067 -23.174 63 HA LYS 21 HA LYS 21 14.553 4.268 -20.768 64 2HB LYS 21 2HB LYS 21 12.633 3.502 -21.883 65 2HG LYS 21 2HG LYS 21 12.475 5.037 -23.948 66 2HD LYS 21 2HD LYS 21 12.978 5.769 -21.125 67 2HE LYS 21 2HE LYS 21 14.528 7.313 -22.619 68 1HZ LYS 21 1HZ LYS 21 12.076 7.773 -23.824 69 2HZ LYS 21 2HZ LYS 21 12.366 9.122 -22.958 70 H TRP 22 H TRP 22 14.309 2.339 -19.591 71 HA TRP 22 HA TRP 22 16.114 0.204 -20.490 72 2HB TRP 22 2HB TRP 22 17.007 0.865 -18.501 73 HD1 TRP 22 HD TRP 22 13.179 1.294 -17.892 74 HE1 TRP 22 1HE TRP 22 12.732 3.126 -16.046 75 HE3 TRP 22 3HE TRP 22 18.069 2.072 -16.732 76 HZ2 TRP 22 2HZ TRP 22 14.434 4.661 -14.346 77 HZ3 TRP 22 3HZ TRP 22 18.590 3.755 -14.968 78 HH2 TRP 22 HH TRP 22 16.866 5.027 -13.790 79 H HIS 23 H HIS 23 15.358 -2.041 -20.050 80 HA HIS 23 HA HIS 23 12.444 -2.191 -19.841 81 2HB HIS 23 2HB HIS 23 14.196 -3.068 -22.051 82 HD1 HIS 23 1HD HIS 23 10.808 -4.463 -22.213 83 HD2 HIS 23 2HD HIS 23 14.612 -5.842 -21.109 84 HE1 HIS 23 1HE HIS 23 10.674 -7.011 -22.214 85 H PHE 24 H PHE 24 12.049 -3.211 -17.941 86 HA PHE 24 HA PHE 24 13.831 -5.445 -17.266 87 2HB PHE 24 2HB PHE 24 12.185 -3.473 -15.572 88 HD1 PHE 24 1HD PHE 24 15.304 -5.067 -14.546 89 HD2 PHE 24 2HD PHE 24 11.076 -5.154 -14.196 90 HE1 PHE 24 1HE PHE 24 15.500 -6.576 -12.549 91 HE2 PHE 24 2HE PHE 24 11.272 -6.663 -12.200 92 HZ PHE 24 HZ PHE 24 13.482 -7.355 -11.400 93 H VAL 25 H VAL 25 12.915 -7.436 -16.805 94 HA VAL 25 HA VAL 25 9.976 -7.506 -16.842 95 HB VAL 25 HB VAL 25 11.790 -9.676 -17.883 96 1HG1 VAL 25 1HG1 VAL 25 9.212 -9.445 -19.158 97 2HG1 VAL 25 2HG1 VAL 25 9.897 -10.802 -18.232 98 3HG1 VAL 25 3HG1 VAL 25 9.011 -9.507 -17.390 99 1HG2 VAL 25 1HG2 VAL 25 10.776 -8.563 -20.150 100 2HG2 VAL 25 2HG2 VAL 25 11.034 -7.110 -19.155 101 3HG2 VAL 25 3HG2 VAL 25 12.392 -8.208 -19.496 102 H LEU 26 H LEU 26 8.959 -8.883 -15.345 103 HA LEU 26 HA LEU 26 10.776 -10.230 -13.478 104 2HB LEU 26 2HB LEU 26 8.389 -9.185 -12.206 105 HG LEU 26 HG LEU 26 11.343 -8.746 -11.693 106 1HD1 LEU 26 1HD1 LEU 26 9.299 -8.125 -9.616 107 2HD1 LEU 26 2HD1 LEU 26 10.899 -7.404 -9.912 108 3HD1 LEU 26 3HD1 LEU 26 9.519 -6.957 -10.942 109 1HD2 LEU 26 1HD2 LEU 26 9.283 -10.567 -10.429 110 2HD2 LEU 26 2HD2 LEU 26 10.787 -11.018 -11.269 111 3HD2 LEU 26 3HD2 LEU 26 10.861 -10.197 -9.691 112 HA DPR 27 HA DPR 27 8.070 -13.553 -13.974 113 1HB DPR 27 2HB DPR 27 9.179 -14.953 -16.043 114 2HB DPR 27 3HB DPR 27 9.794 -15.018 -14.404 115 1HG DPR 27 2HG DPR 27 10.912 -13.606 -16.748 116 2HG DPR 27 3HG DPR 27 11.704 -14.037 -15.245 117 1HD DPR 27 2HD DPR 27 10.757 -11.437 -16.003 118 2HD DPR 27 3HD DPR 27 11.443 -11.893 -14.456 119 H GLY 28 H GLY 28 6.013 -12.980 -14.414 120 1HA GLY 28 1HA GLY 28 5.345 -13.070 -17.264 121 2HA GLY 28 2HA GLY 28 4.245 -13.222 -15.908 122 H TYR 29 H TYR 29 5.427 -10.888 -14.426 123 HA TYR 29 HA TYR 29 3.893 -8.860 -15.781 124 2HB TYR 29 2HB TYR 29 4.915 -7.656 -13.591 125 HD1 TYR 29 1HD TYR 29 3.061 -7.003 -12.371 126 HD2 TYR 29 2HD TYR 29 3.284 -11.042 -13.766 127 HE1 TYR 29 1HE TYR 29 0.770 -7.481 -11.377 128 HE2 TYR 29 2HE TYR 29 0.991 -11.505 -12.768 129 HH TYR 29 HH TYR 29 -1.120 -9.766 -12.225 130 H LYS 30 H LYS 30 4.715 -7.437 -17.225 131 HA LYS 30 HA LYS 30 7.585 -6.846 -16.999 132 2HB LYS 30 2HB LYS 30 5.893 -7.507 -19.384 133 2HG LYS 30 2HG LYS 30 8.305 -6.522 -20.399 134 2HD LYS 30 2HD LYS 30 6.850 -4.630 -21.276 135 2HE LYS 30 2HE LYS 30 5.096 -6.225 -22.327 136 1HZ LYS 30 1HZ LYS 30 7.494 -7.609 -22.875 137 2HZ LYS 30 2HZ LYS 30 6.735 -6.514 -23.813 138 H CYS 31 H CYS 31 8.182 -4.701 -16.953 139 HA CYS 31 HA CYS 31 6.002 -2.787 -17.355 140 2HB CYS 31 2HB CYS 31 8.079 -2.120 -15.347 141 H GLU 32 H GLU 32 6.546 -1.230 -18.858 142 HA GLU 32 HA GLU 32 9.399 -0.826 -19.305 143 2HB GLU 32 2HB GLU 32 8.261 -0.299 -21.778 144 2HG GLU 32 2HG GLU 32 9.397 -2.933 -20.726 145 HE2 GLU 32 HE GLU 32 8.019 -3.766 -23.829 146 H ILE 33 H ILE 33 10.058 1.316 -19.416 147 HA ILE 33 HA ILE 33 7.911 3.313 -19.544 148 HB ILE 33 HB ILE 33 10.258 3.211 -17.651 149 2HG1 ILE 33 2HG1 ILE 33 8.141 1.890 -17.138 150 1HG2 ILE 33 1HG2 ILE 33 8.665 5.498 -18.647 151 2HG2 ILE 33 2HG2 ILE 33 8.885 5.409 -16.883 152 3HG2 ILE 33 3HG2 ILE 33 10.305 5.443 -17.957 153 1HD1 ILE 33 1HD1 ILE 33 9.128 4.139 -15.336 154 2HD1 ILE 33 2HD1 ILE 33 7.983 2.892 -14.785 155 3HD1 ILE 33 3HD1 ILE 33 9.619 2.428 -15.312 156 H LEU 34 H LEU 34 8.647 2.969 -21.914 157 HA LEU 34 HA LEU 34 11.105 4.487 -22.401 158 2HB LEU 34 2HB LEU 34 9.666 2.312 -23.830 159 HG LEU 34 HG LEU 34 10.992 4.583 -25.214 160 1HD1 LEU 34 1HD1 LEU 34 11.593 1.700 -25.922 161 2HD1 LEU 34 2HD1 LEU 34 11.904 3.098 -26.980 162 3HD1 LEU 34 3HD1 LEU 34 12.755 2.953 -25.423 163 1HD2 LEU 34 1HD2 LEU 34 8.815 4.395 -25.890 164 2HD2 LEU 34 2HD2 LEU 34 9.611 3.379 -27.115 165 3HD2 LEU 34 3HD2 LEU 34 8.795 2.623 -25.727 166 H ALA 35 H ALA 35 11.085 6.208 -23.993 167 HA ALA 35 HA ALA 35 8.402 7.210 -24.609 168 1HB ALA 35 1HB ALA 35 9.832 8.231 -22.530 169 2HB ALA 35 2HB ALA 35 10.465 9.222 -23.867 170 3HB ALA 35 3HB ALA 35 8.718 9.196 -23.529 171 H THR 12 H THR 12 -8.295 -0.357 -22.254 172 HA THR 12 HA THR 12 -10.894 -0.733 -20.915 173 HB THR 12 HB THR 12 -9.966 -1.369 -23.762 174 HG1 THR 12 1HG THR 12 -10.751 0.816 -23.177 175 1HG2 THR 12 1HG2 THR 12 -12.760 -1.753 -23.496 176 2HG2 THR 12 2HG2 THR 12 -11.547 -3.024 -23.783 177 3HG2 THR 12 3HG2 THR 12 -12.051 -2.633 -22.120 178 H ALA 13 H ALA 13 -11.167 -2.518 -19.715 179 HA ALA 13 HA ALA 13 -8.997 -4.491 -19.860 180 1HB ALA 13 1HB ALA 13 -10.751 -3.429 -17.644 181 2HB ALA 13 2HB ALA 13 -10.024 -5.050 -17.508 182 3HB ALA 13 3HB ALA 13 -8.981 -3.619 -17.691 183 H LEU 14 H LEU 14 -9.592 -6.141 -21.192 184 HA LEU 14 HA LEU 14 -12.316 -7.176 -20.813 185 2HB LEU 14 2HB LEU 14 -11.300 -7.920 -23.359 186 HG LEU 14 HG LEU 14 -13.136 -6.508 -24.258 187 1HD1 LEU 14 1HD1 LEU 14 -13.353 -8.804 -22.529 188 2HD1 LEU 14 2HD1 LEU 14 -14.819 -7.802 -22.410 189 3HD1 LEU 14 3HD1 LEU 14 -14.273 -8.394 -23.997 190 1HD2 LEU 14 1HD2 LEU 14 -14.701 -5.789 -22.148 191 2HD2 LEU 14 2HD2 LEU 14 -13.077 -5.435 -21.513 192 3HD2 LEU 14 3HD2 LEU 14 -13.619 -4.689 -23.035 193 H ASN 15 H ASN 15 -12.524 -9.362 -20.420 194 HA ASN 15 HA ASN 15 -9.988 -10.727 -20.074 195 2HB ASN 15 2HB ASN 15 -11.410 -10.684 -18.072 196 1HD2 ASN 15 1HD2 ASN 15 -13.292 -12.789 -17.612 197 2HD2 ASN 15 2HD2 ASN 15 -14.836 -12.287 -18.219 198 H THR 16 H THR 16 -9.666 -11.438 -22.291 199 HA THR 16 HA THR 16 -11.701 -13.343 -23.247 200 HB THR 16 HB THR 16 -11.627 -11.273 -24.621 201 HG1 THR 16 1HG THR 16 -10.126 -13.529 -25.752 202 1HG2 THR 16 1HG2 THR 16 -9.529 -10.839 -25.962 203 2HG2 THR 16 2HG2 THR 16 -9.303 -10.515 -24.226 204 3HG2 THR 16 3HG2 THR 16 -8.672 -12.019 -24.940 205 HA DPR 17 HA DPR 17 -8.308 -15.979 -24.306 206 1HB DPR 17 2HB DPR 17 -9.739 -18.306 -24.354 207 2HB DPR 17 3HB DPR 17 -9.495 -17.301 -25.769 208 1HG DPR 17 2HG DPR 17 -11.924 -17.610 -24.112 209 2HG DPR 17 3HG DPR 17 -11.777 -16.967 -25.736 210 1HD DPR 17 2HD DPR 17 -12.126 -15.462 -23.318 211 2HD DPR 17 3HD DPR 17 -11.863 -14.817 -24.927 212 H ALA 18 H ALA 18 -7.002 -17.485 -23.172 213 HA ALA 18 HA ALA 18 -8.002 -18.445 -20.677 214 1HB ALA 18 1HB ALA 18 -6.021 -19.661 -20.604 215 2HB ALA 18 2HB ALA 18 -6.201 -19.410 -22.357 216 3HB ALA 18 3HB ALA 18 -5.084 -18.386 -21.422 217 H VAL 19 H VAL 19 -5.171 -16.303 -21.481 218 HA VAL 19 HA VAL 19 -5.412 -15.145 -18.829 219 HB VAL 19 HB VAL 19 -3.267 -14.086 -19.403 220 1HG1 VAL 19 1HG1 VAL 19 -2.347 -16.676 -20.098 221 2HG1 VAL 19 2HG1 VAL 19 -2.424 -15.933 -18.483 222 3HG1 VAL 19 3HG1 VAL 19 -3.793 -16.898 -19.084 223 1HG2 VAL 19 1HG2 VAL 19 -4.033 -14.494 -22.041 224 2HG2 VAL 19 2HG2 VAL 19 -2.430 -13.961 -21.478 225 3HG2 VAL 19 3HG2 VAL 19 -2.736 -15.687 -21.793 226 H GLN 20 H GLN 20 -5.197 -12.695 -18.651 227 HA GLN 20 HA GLN 20 -6.942 -11.548 -20.678 228 2HB GLN 20 2HB GLN 20 -7.633 -9.939 -18.985 229 2HG GLN 20 2HG GLN 20 -7.878 -12.797 -18.638 230 1HE2 GLN 20 1HE2 GLN 20 -8.989 -13.664 -16.646 231 2HE2 GLN 20 2HE2 GLN 20 -8.235 -13.370 -15.115 232 H LYS 21 H LYS 21 -6.562 -9.115 -21.104 233 HA LYS 21 HA LYS 21 -3.701 -8.501 -20.934 234 2HB LYS 21 2HB LYS 21 -4.103 -9.368 -23.164 235 2HG LYS 21 2HG LYS 21 -6.637 -8.128 -22.897 236 2HD LYS 21 2HD LYS 21 -4.909 -6.812 -25.041 237 2HE LYS 21 2HE LYS 21 -7.572 -5.778 -25.030 238 1HZ LYS 21 1HZ LYS 21 -7.166 -7.428 -27.231 239 2HZ LYS 21 2HZ LYS 21 -6.920 -5.819 -27.165 240 H TRP 22 H TRP 22 -3.851 -6.984 -19.302 241 HA TRP 22 HA TRP 22 -5.722 -4.773 -19.817 242 2HB TRP 22 2HB TRP 22 -4.724 -5.994 -17.253 243 HD1 TRP 22 HD TRP 22 -4.325 -4.344 -15.278 244 HE1 TRP 22 1HE TRP 22 -4.978 -1.884 -14.583 245 HE3 TRP 22 3HE TRP 22 -7.188 -3.384 -19.371 246 HZ2 TRP 22 2HZ TRP 22 -6.581 0.142 -15.793 247 HZ3 TRP 22 3HZ TRP 22 -8.261 -1.140 -19.536 248 HH2 TRP 22 HH TRP 22 -7.995 0.592 -17.834 249 H HIS 23 H HIS 23 -4.710 -2.947 -20.530 250 HA HIS 23 HA HIS 23 -1.860 -2.711 -19.920 251 2HB HIS 23 2HB HIS 23 -2.740 -2.815 -22.333 252 HD1 HIS 23 1HD HIS 23 -5.405 -1.811 -21.994 253 HD2 HIS 23 2HD HIS 23 -2.293 0.855 -22.890 254 HE1 HIS 23 1HE HIS 23 -6.509 0.280 -22.953 255 H PHE 24 H PHE 24 -1.065 -0.925 -18.818 256 HA PHE 24 HA PHE 24 -3.041 1.126 -18.129 257 2HB PHE 24 2HB PHE 24 -0.865 0.149 -16.228 258 HD1 PHE 24 1HD PHE 24 -4.580 0.472 -16.098 259 HD2 PHE 24 2HD PHE 24 -0.834 1.828 -14.636 260 HE1 PHE 24 1HE PHE 24 -5.758 1.922 -14.422 261 HE2 PHE 24 2HE PHE 24 -2.012 3.278 -12.960 262 HZ PHE 24 HZ PHE 24 -4.461 3.307 -12.873 263 H VAL 25 H VAL 25 -2.307 2.982 -19.061 264 HA VAL 25 HA VAL 25 0.559 3.543 -18.751 265 HB VAL 25 HB VAL 25 0.469 4.671 -20.937 266 1HG1 VAL 25 1HG1 VAL 25 -0.413 2.046 -21.834 267 2HG1 VAL 25 2HG1 VAL 25 1.209 2.779 -21.870 268 3HG1 VAL 25 3HG1 VAL 25 0.648 1.931 -20.409 269 1HG2 VAL 25 1HG2 VAL 25 -2.375 3.689 -20.881 270 2HG2 VAL 25 2HG2 VAL 25 -1.734 5.282 -21.349 271 3HG2 VAL 25 3HG2 VAL 25 -1.526 3.885 -22.433 272 H LEU 26 H LEU 26 0.320 4.848 -16.922 273 HA LEU 26 HA LEU 26 -1.546 7.088 -17.205 274 2HB LEU 26 2HB LEU 26 -0.658 7.182 -14.637 275 HG LEU 26 HG LEU 26 -2.932 5.399 -15.552 276 1HD1 LEU 26 1HD1 LEU 26 -3.472 6.705 -13.089 277 2HD1 LEU 26 2HD1 LEU 26 -3.272 4.965 -13.407 278 3HD1 LEU 26 3HD1 LEU 26 -1.863 5.958 -12.962 279 1HD2 LEU 26 1HD2 LEU 26 -4.319 7.478 -15.036 280 2HD2 LEU 26 2HD2 LEU 26 -2.789 8.383 -15.125 281 3HD2 LEU 26 3HD2 LEU 26 -3.374 7.481 -16.544 282 HA DPR 27 HA DPR 27 1.777 9.940 -16.706 283 1HB DPR 27 2HB DPR 27 0.709 11.926 -18.251 284 2HB DPR 27 3HB DPR 27 0.391 11.771 -16.535 285 1HG DPR 27 2HG DPR 27 -1.376 11.119 -18.813 286 2HG DPR 27 3HG DPR 27 -1.802 11.377 -17.133 287 1HD DPR 27 2HD DPR 27 -1.608 8.856 -18.487 288 2HD DPR 27 3HD DPR 27 -1.920 9.108 -16.780 289 H GLY 28 H GLY 28 3.285 8.554 -17.708 290 1HA GLY 28 1HA GLY 28 3.287 8.614 -20.621 291 2HA GLY 28 2HA GLY 28 4.606 9.454 -19.830 292 H TYR 29 H TYR 29 2.883 6.458 -18.753 293 HA TYR 29 HA TYR 29 5.455 5.052 -19.024 294 2HB TYR 29 2HB TYR 29 4.195 3.682 -17.081 295 HD1 TYR 29 1HD TYR 29 4.749 7.404 -17.004 296 HD2 TYR 29 2HD TYR 29 5.855 3.563 -15.477 297 HE1 TYR 29 1HE TYR 29 6.459 8.496 -15.473 298 HE2 TYR 29 2HE TYR 29 7.562 4.669 -13.952 299 HH TYR 29 HH TYR 29 8.324 6.548 -13.171 300 H LYS 30 H LYS 30 5.402 2.857 -19.725 301 HA LYS 30 HA LYS 30 2.795 2.020 -20.786 302 2HB LYS 30 2HB LYS 30 5.110 1.074 -22.308 303 2HG LYS 30 2HG LYS 30 2.389 1.398 -22.702 304 2HD LYS 30 2HD LYS 30 3.874 3.663 -24.108 305 2HE LYS 30 2HE LYS 30 1.246 2.281 -24.715 306 1HZ LYS 30 1HZ LYS 30 0.797 4.402 -26.024 307 2HZ LYS 30 2HZ LYS 30 0.530 4.502 -24.422 308 H CYS 31 H CYS 31 2.473 0.810 -18.815 309 HA CYS 31 HA CYS 31 4.340 -1.429 -18.545 310 2HB CYS 31 2HB CYS 31 2.337 -0.542 -16.473 311 H GLU 32 H GLU 32 3.559 -3.485 -18.999 312 HA GLU 32 HA GLU 32 0.677 -3.656 -19.420 313 2HB GLU 32 2HB GLU 32 2.658 -5.449 -20.843 314 2HG GLU 32 2HG GLU 32 -0.164 -4.423 -21.368 315 HE2 GLU 32 HE GLU 32 0.210 -7.083 -22.891 316 H ILE 33 H ILE 33 -0.425 -5.419 -18.506 317 HA ILE 33 HA ILE 33 1.265 -7.241 -16.937 318 HB ILE 33 HB ILE 33 -1.391 -5.999 -16.219 319 2HG1 ILE 33 2HG1 ILE 33 -0.190 -4.965 -14.390 320 1HG2 ILE 33 1HG2 ILE 33 -0.277 -8.529 -15.430 321 2HG2 ILE 33 2HG2 ILE 33 -0.325 -7.430 -14.031 322 3HG2 ILE 33 3HG2 ILE 33 -1.812 -7.766 -14.948 323 1HD1 ILE 33 1HD1 ILE 33 2.035 -5.356 -13.857 324 2HD1 ILE 33 2HD1 ILE 33 1.608 -6.962 -14.492 325 3HD1 ILE 33 3HD1 ILE 33 2.466 -5.796 -15.527 326 H LEU 34 H LEU 34 1.256 -9.207 -17.880 327 HA LEU 34 HA LEU 34 -1.274 -10.055 -19.110 328 2HB LEU 34 2HB LEU 34 1.102 -11.510 -19.947 329 HG LEU 34 HG LEU 34 -1.357 -10.843 -21.082 330 1HD1 LEU 34 1HD1 LEU 34 0.089 -8.662 -21.665 331 2HD1 LEU 34 2HD1 LEU 34 0.582 -9.702 -23.023 332 3HD1 LEU 34 3HD1 LEU 34 -1.141 -9.339 -22.761 333 1HD2 LEU 34 1HD2 LEU 34 1.130 -12.052 -22.317 334 2HD2 LEU 34 2HD2 LEU 34 -0.193 -12.907 -21.490 335 3HD2 LEU 34 3HD2 LEU 34 -0.492 -12.099 -23.047 336 H ALA 35 H ALA 35 -2.047 -10.775 -17.011 337 HA ALA 35 HA ALA 35 -0.643 -13.195 -16.104 338 1HB ALA 35 1HB ALA 35 -0.793 -11.096 -14.574 339 2HB ALA 35 2HB ALA 35 -2.512 -11.530 -14.404 340 3HB ALA 35 3HB ALA 35 -1.250 -12.675 -13.890 Start of MODEL 11 1 H THR 12 H THR 12 22.208 -4.079 -14.141 2 HA THR 12 HA THR 12 20.732 -5.484 -16.176 3 HB THR 12 HB THR 12 20.071 -5.719 -13.202 4 HG1 THR 12 1HG THR 12 20.944 -7.669 -13.781 5 1HG2 THR 12 1HG2 THR 12 17.850 -5.822 -13.724 6 2HG2 THR 12 2HG2 THR 12 18.219 -5.446 -15.424 7 3HG2 THR 12 3HG2 THR 12 18.209 -7.137 -14.868 8 H ALA 13 H ALA 13 21.377 -3.111 -16.746 9 HA ALA 13 HA ALA 13 18.963 -1.608 -16.443 10 1HB ALA 13 1HB ALA 13 21.322 -1.047 -14.760 11 2HB ALA 13 2HB ALA 13 20.740 0.362 -15.679 12 3HB ALA 13 3HB ALA 13 19.637 -0.503 -14.583 13 H LEU 14 H LEU 14 19.060 0.405 -17.830 14 HA LEU 14 HA LEU 14 21.185 0.202 -19.837 15 2HB LEU 14 2HB LEU 14 18.889 -0.918 -20.395 16 HG LEU 14 HG LEU 14 17.920 1.673 -20.081 17 1HD1 LEU 14 1HD1 LEU 14 19.179 1.700 -22.545 18 2HD1 LEU 14 2HD1 LEU 14 17.476 1.376 -22.950 19 3HD1 LEU 14 3HD1 LEU 14 17.905 2.815 -21.994 20 1HD2 LEU 14 1HD2 LEU 14 16.536 -0.266 -21.900 21 2HD2 LEU 14 2HD2 LEU 14 16.829 -0.707 -20.201 22 3HD2 LEU 14 3HD2 LEU 14 15.878 0.746 -20.592 23 H ASN 15 H ASN 15 21.974 2.165 -20.565 24 HA ASN 15 HA ASN 15 20.746 4.463 -19.265 25 2HB ASN 15 2HB ASN 15 23.079 5.518 -19.795 26 1HD2 ASN 15 1HD2 ASN 15 24.292 5.829 -18.017 27 2HD2 ASN 15 2HD2 ASN 15 24.116 4.966 -16.525 28 H THR 16 H THR 16 19.882 6.060 -20.629 29 HA THR 16 HA THR 16 20.678 5.960 -23.463 30 HB THR 16 HB THR 16 17.897 6.256 -22.214 31 HG1 THR 16 1HG THR 16 19.537 4.331 -23.580 32 1HG2 THR 16 1HG2 THR 16 17.526 7.532 -24.125 33 2HG2 THR 16 2HG2 THR 16 18.975 6.900 -24.944 34 3HG2 THR 16 3HG2 THR 16 17.485 5.928 -24.894 35 HA DPR 17 HA DPR 17 21.472 10.149 -22.955 36 1HB DPR 17 2HB DPR 17 23.949 10.299 -21.808 37 2HB DPR 17 3HB DPR 17 23.699 9.941 -23.506 38 1HG DPR 17 2HG DPR 17 24.458 8.104 -21.318 39 2HG DPR 17 3HG DPR 17 24.615 7.874 -23.048 40 1HD DPR 17 2HD DPR 17 22.632 6.708 -21.335 41 2HD DPR 17 3HD DPR 17 22.720 6.573 -23.081 42 H ALA 18 H ALA 18 21.279 12.043 -21.732 43 HA ALA 18 HA ALA 18 21.746 12.337 -19.112 44 1HB ALA 18 1HB ALA 18 20.480 13.773 -21.055 45 2HB ALA 18 2HB ALA 18 19.104 13.373 -19.999 46 3HB ALA 18 3HB ALA 18 20.511 14.240 -19.338 47 H VAL 19 H VAL 19 18.427 11.433 -20.296 48 HA VAL 19 HA VAL 19 17.756 10.422 -17.714 49 HB VAL 19 HB VAL 19 15.624 9.902 -18.749 50 1HG1 VAL 19 1HG1 VAL 19 16.721 12.426 -18.425 51 2HG1 VAL 19 2HG1 VAL 19 16.016 12.494 -20.058 52 3HG1 VAL 19 3HG1 VAL 19 14.997 12.054 -18.666 53 1HG2 VAL 19 1HG2 VAL 19 15.455 10.731 -21.262 54 2HG2 VAL 19 2HG2 VAL 19 17.175 10.271 -21.285 55 3HG2 VAL 19 3HG2 VAL 19 15.937 9.064 -20.866 56 H GLN 20 H GLN 20 16.924 8.151 -17.392 57 HA GLN 20 HA GLN 20 18.427 6.306 -19.076 58 2HB GLN 20 2HB GLN 20 18.589 4.931 -16.827 59 2HG GLN 20 2HG GLN 20 20.288 6.867 -18.116 60 1HE2 GLN 20 1HE2 GLN 20 20.501 5.750 -14.747 61 2HE2 GLN 20 2HE2 GLN 20 21.036 7.242 -14.051 62 H LYS 21 H LYS 21 17.552 3.980 -18.892 63 HA LYS 21 HA LYS 21 14.695 3.999 -18.249 64 2HB LYS 21 2HB LYS 21 15.821 2.782 -20.783 65 2HG LYS 21 2HG LYS 21 12.977 3.443 -19.880 66 2HD LYS 21 2HD LYS 21 14.161 2.184 -22.386 67 2HE LYS 21 2HE LYS 21 11.580 1.613 -21.013 68 1HZ LYS 21 1HZ LYS 21 11.639 2.137 -23.937 69 2HZ LYS 21 2HZ LYS 21 10.366 1.562 -23.098 70 H TRP 22 H TRP 22 13.848 1.943 -17.595 71 HA TRP 22 HA TRP 22 15.946 -0.046 -17.052 72 2HB TRP 22 2HB TRP 22 15.315 1.258 -15.033 73 HD1 TRP 22 HD TRP 22 12.995 2.789 -15.329 74 HE1 TRP 22 1HE TRP 22 10.513 2.444 -14.501 75 HE3 TRP 22 3HE TRP 22 13.411 -2.209 -14.496 76 HZ2 TRP 22 2HZ TRP 22 9.036 0.171 -13.610 77 HZ3 TRP 22 3HZ TRP 22 11.402 -3.417 -13.646 78 HH2 TRP 22 HH TRP 22 9.269 -2.307 -13.205 79 H HIS 23 H HIS 23 15.502 -1.718 -18.436 80 HA HIS 23 HA HIS 23 12.689 -2.263 -18.992 81 2HB HIS 23 2HB HIS 23 15.104 -3.352 -20.452 82 HD1 HIS 23 1HD HIS 23 12.658 -1.940 -22.663 83 HD2 HIS 23 2HD HIS 23 12.989 -5.554 -20.560 84 HE1 HIS 23 1HE HIS 23 11.074 -3.581 -23.808 85 H PHE 24 H PHE 24 11.831 -3.667 -17.529 86 HA PHE 24 HA PHE 24 13.488 -5.997 -16.860 87 2HB PHE 24 2HB PHE 24 11.274 -4.597 -15.246 88 HD1 PHE 24 1HD PHE 24 10.342 -6.757 -14.542 89 HD2 PHE 24 2HD PHE 24 14.415 -5.790 -13.850 90 HE1 PHE 24 1HE PHE 24 10.504 -8.629 -12.878 91 HE2 PHE 24 2HE PHE 24 14.577 -7.662 -12.185 92 HZ PHE 24 HZ PHE 24 12.619 -9.059 -11.719 93 H VAL 25 H VAL 25 12.593 -7.179 -18.680 94 HA VAL 25 HA VAL 25 9.770 -7.883 -18.257 95 HB VAL 25 HB VAL 25 10.299 -6.563 -20.323 96 1HG1 VAL 25 1HG1 VAL 25 11.387 -8.947 -21.697 97 2HG1 VAL 25 2HG1 VAL 25 11.789 -7.223 -21.889 98 3HG1 VAL 25 3HG1 VAL 25 12.498 -8.159 -20.551 99 1HG2 VAL 25 1HG2 VAL 25 8.739 -7.710 -21.615 100 2HG2 VAL 25 2HG2 VAL 25 9.340 -9.308 -21.112 101 3HG2 VAL 25 3HG2 VAL 25 8.399 -8.313 -19.975 102 H LEU 26 H LEU 26 10.681 -9.443 -16.649 103 HA LEU 26 HA LEU 26 11.663 -11.818 -18.067 104 2HB LEU 26 2HB LEU 26 13.484 -10.768 -16.828 105 HG LEU 26 HG LEU 26 11.689 -10.184 -14.812 106 1HD1 LEU 26 1HD1 LEU 26 13.501 -12.113 -13.452 107 2HD1 LEU 26 2HD1 LEU 26 11.863 -11.567 -13.020 108 3HD1 LEU 26 3HD1 LEU 26 12.088 -12.776 -14.308 109 1HD2 LEU 26 1HD2 LEU 26 14.030 -9.878 -13.518 110 2HD2 LEU 26 2HD2 LEU 26 14.631 -10.081 -15.181 111 3HD2 LEU 26 3HD2 LEU 26 13.466 -8.789 -14.808 112 HA DPR 27 HA DPR 27 8.999 -13.949 -15.166 113 1HB DPR 27 2HB DPR 27 8.922 -16.338 -16.491 114 2HB DPR 27 3HB DPR 27 10.077 -15.984 -15.222 115 1HG DPR 27 2HG DPR 27 10.510 -16.098 -18.144 116 2HG DPR 27 3HG DPR 27 11.696 -16.170 -16.855 117 1HD DPR 27 2HD DPR 27 11.116 -13.916 -18.532 118 2HD DPR 27 3HD DPR 27 12.217 -13.954 -17.168 119 H GLY 28 H GLY 28 7.255 -12.594 -15.520 120 1HA GLY 28 1HA GLY 28 5.838 -12.950 -18.036 121 2HA GLY 28 2HA GLY 28 5.022 -13.553 -16.607 122 H TYR 29 H TYR 29 7.227 -10.701 -16.798 123 HA TYR 29 HA TYR 29 4.892 -8.990 -16.292 124 2HB TYR 29 2HB TYR 29 7.027 -7.806 -14.963 125 HD1 TYR 29 1HD TYR 29 5.177 -11.008 -14.267 126 HD2 TYR 29 2HD TYR 29 6.072 -7.017 -13.011 127 HE1 TYR 29 1HE TYR 29 3.634 -11.284 -12.265 128 HE2 TYR 29 2HE TYR 29 4.526 -7.307 -11.012 129 HH TYR 29 HH TYR 29 3.232 -8.641 -9.921 130 H LYS 30 H LYS 30 4.713 -7.853 -18.184 131 HA LYS 30 HA LYS 30 7.206 -6.836 -19.342 132 2HB LYS 30 2HB LYS 30 5.820 -8.255 -20.803 133 2HG LYS 30 2HG LYS 30 3.762 -6.024 -20.815 134 2HD LYS 30 2HD LYS 30 2.361 -8.136 -21.503 135 2HE LYS 30 2HE LYS 30 3.681 -6.199 -22.978 136 1HZ LYS 30 1HZ LYS 30 5.512 -7.799 -23.391 137 2HZ LYS 30 2HZ LYS 30 4.470 -8.838 -24.091 138 H CYS 31 H CYS 31 7.579 -5.048 -17.991 139 HA CYS 31 HA CYS 31 5.596 -2.932 -18.350 140 2HB CYS 31 2HB CYS 31 6.972 -3.670 -15.761 141 H GLU 32 H GLU 32 6.627 -1.360 -19.533 142 HA GLU 32 HA GLU 32 9.463 -0.984 -18.962 143 2HB GLU 32 2HB GLU 32 9.637 -0.198 -21.381 144 2HG GLU 32 2HG GLU 32 9.055 -3.006 -20.488 145 HE2 GLU 32 HE GLU 32 7.623 -4.119 -22.899 146 H ILE 33 H ILE 33 9.931 0.991 -18.099 147 HA ILE 33 HA ILE 33 8.041 3.162 -18.693 148 HB ILE 33 HB ILE 33 9.517 2.573 -16.125 149 2HG1 ILE 33 2HG1 ILE 33 7.315 2.229 -15.162 150 1HG2 ILE 33 1HG2 ILE 33 8.124 5.013 -17.126 151 2HG2 ILE 33 2HG2 ILE 33 7.890 4.554 -15.422 152 3HG2 ILE 33 3HG2 ILE 33 9.531 4.849 -16.048 153 1HD1 ILE 33 1HD1 ILE 33 5.296 2.204 -16.508 154 2HD1 ILE 33 2HD1 ILE 33 6.091 3.776 -16.767 155 3HD1 ILE 33 3HD1 ILE 33 6.226 2.496 -17.998 156 H LEU 34 H LEU 34 8.903 5.167 -19.261 157 HA LEU 34 HA LEU 34 11.832 5.216 -19.477 158 2HB LEU 34 2HB LEU 34 10.813 4.790 -21.648 159 HG LEU 34 HG LEU 34 8.698 6.292 -21.085 160 1HD1 LEU 34 1HD1 LEU 34 10.234 8.291 -22.720 161 2HD1 LEU 34 2HD1 LEU 34 8.750 8.505 -21.763 162 3HD1 LEU 34 3HD1 LEU 34 10.318 8.321 -20.943 163 1HD2 LEU 34 1HD2 LEU 34 8.084 6.164 -23.332 164 2HD2 LEU 34 2HD2 LEU 34 9.754 6.390 -23.905 165 3HD2 LEU 34 3HD2 LEU 34 9.275 4.856 -23.141 166 H ALA 35 H ALA 35 12.846 7.255 -19.114 167 HA ALA 35 HA ALA 35 11.049 9.204 -17.841 168 1HB ALA 35 1HB ALA 35 13.833 9.363 -17.001 169 2HB ALA 35 2HB ALA 35 12.365 9.149 -16.016 170 3HB ALA 35 3HB ALA 35 13.175 7.732 -16.725 171 H THR 12 H THR 12 -5.912 -0.540 -18.061 172 HA THR 12 HA THR 12 -7.889 1.261 -16.820 173 HB THR 12 HB THR 12 -8.414 0.399 -19.175 174 HG1 THR 12 1HG THR 12 -10.040 -0.770 -17.044 175 1HG2 THR 12 1HG2 THR 12 -8.607 -2.242 -17.632 176 2HG2 THR 12 2HG2 THR 12 -9.238 -1.967 -19.274 177 3HG2 THR 12 3HG2 THR 12 -7.485 -1.907 -18.972 178 H ALA 13 H ALA 13 -9.477 0.059 -15.376 179 HA ALA 13 HA ALA 13 -7.927 -1.894 -13.818 180 1HB ALA 13 1HB ALA 13 -9.877 -0.924 -12.134 181 2HB ALA 13 2HB ALA 13 -8.212 -0.300 -12.230 182 3HB ALA 13 3HB ALA 13 -9.518 0.503 -13.134 183 H LEU 14 H LEU 14 -8.625 -3.795 -14.854 184 HA LEU 14 HA LEU 14 -11.512 -4.281 -14.600 185 2HB LEU 14 2HB LEU 14 -9.857 -5.666 -16.667 186 HG LEU 14 HG LEU 14 -12.259 -6.295 -16.322 187 1HD1 LEU 14 1HD1 LEU 14 -13.680 -4.631 -15.890 188 2HD1 LEU 14 2HD1 LEU 14 -12.590 -3.401 -16.574 189 3HD1 LEU 14 3HD1 LEU 14 -13.671 -4.326 -17.644 190 1HD2 LEU 14 1HD2 LEU 14 -11.265 -5.204 -18.947 191 2HD2 LEU 14 2HD2 LEU 14 -11.397 -6.893 -18.401 192 3HD2 LEU 14 3HD2 LEU 14 -12.865 -5.971 -18.808 193 H ASN 15 H ASN 15 -11.333 -5.193 -12.517 194 HA ASN 15 HA ASN 15 -9.673 -7.587 -12.444 195 2HB ASN 15 2HB ASN 15 -8.961 -6.103 -10.684 196 1HD2 ASN 15 1HD2 ASN 15 -11.546 -6.666 -8.649 197 2HD2 ASN 15 2HD2 ASN 15 -12.266 -5.091 -8.610 198 H THR 16 H THR 16 -11.657 -8.535 -13.662 199 HA THR 16 HA THR 16 -13.526 -9.582 -11.686 200 HB THR 16 HB THR 16 -14.642 -7.566 -12.618 201 HG1 THR 16 1HG THR 16 -16.190 -9.167 -12.406 202 1HG2 THR 16 1HG2 THR 16 -13.312 -8.150 -14.997 203 2HG2 THR 16 2HG2 THR 16 -14.952 -8.763 -15.321 204 3HG2 THR 16 3HG2 THR 16 -14.713 -7.059 -14.863 205 HA DPR 17 HA DPR 17 -13.786 -12.915 -14.588 206 1HB DPR 17 2HB DPR 17 -14.478 -14.840 -12.776 207 2HB DPR 17 3HB DPR 17 -15.655 -13.889 -13.660 208 1HG DPR 17 2HG DPR 17 -14.834 -13.657 -10.829 209 2HG DPR 17 3HG DPR 17 -16.271 -13.029 -11.610 210 1HD DPR 17 2HD DPR 17 -13.937 -11.541 -10.861 211 2HD DPR 17 3HD DPR 17 -15.325 -10.937 -11.744 212 H ALA 18 H ALA 18 -12.543 -14.853 -15.010 213 HA ALA 18 HA ALA 18 -10.583 -15.641 -13.161 214 1HB ALA 18 1HB ALA 18 -10.524 -15.989 -16.179 215 2HB ALA 18 2HB ALA 18 -9.797 -17.042 -14.941 216 3HB ALA 18 3HB ALA 18 -11.567 -16.955 -15.108 217 H VAL 19 H VAL 19 -10.372 -13.665 -16.207 218 HA VAL 19 HA VAL 19 -7.662 -13.003 -15.762 219 HB VAL 19 HB VAL 19 -8.798 -13.071 -17.954 220 1HG1 VAL 19 1HG1 VAL 19 -10.327 -10.764 -16.770 221 2HG1 VAL 19 2HG1 VAL 19 -10.058 -10.856 -18.527 222 3HG1 VAL 19 3HG1 VAL 19 -10.923 -12.167 -17.688 223 1HG2 VAL 19 1HG2 VAL 19 -6.679 -11.805 -17.575 224 2HG2 VAL 19 2HG2 VAL 19 -7.669 -11.157 -18.905 225 3HG2 VAL 19 3HG2 VAL 19 -7.647 -10.332 -17.328 226 H GLN 20 H GLN 20 -6.712 -11.195 -14.814 227 HA GLN 20 HA GLN 20 -8.351 -9.036 -13.974 228 2HB GLN 20 2HB GLN 20 -7.163 -10.913 -11.885 229 2HG GLN 20 2HG GLN 20 -8.791 -8.646 -10.941 230 1HE2 GLN 20 1HE2 GLN 20 -8.251 -8.188 -8.890 231 2HE2 GLN 20 2HE2 GLN 20 -6.973 -8.943 -7.997 232 H LYS 21 H LYS 21 -6.834 -7.893 -15.328 233 HA LYS 21 HA LYS 21 -4.311 -7.401 -13.948 234 2HB LYS 21 2HB LYS 21 -2.974 -7.681 -15.878 235 2HG LYS 21 2HG LYS 21 -3.528 -10.050 -16.622 236 2HD LYS 21 2HD LYS 21 -3.295 -9.154 -13.766 237 2HE LYS 21 2HE LYS 21 -3.497 -12.118 -14.353 238 1HZ LYS 21 1HZ LYS 21 -3.093 -10.462 -12.090 239 2HZ LYS 21 2HZ LYS 21 -4.433 -11.357 -11.852 240 H TRP 22 H TRP 22 -3.258 -5.341 -14.826 241 HA TRP 22 HA TRP 22 -5.410 -3.480 -15.576 242 2HB TRP 22 2HB TRP 22 -4.569 -1.890 -14.174 243 HD1 TRP 22 HD TRP 22 -2.708 -5.061 -12.823 244 HE1 TRP 22 1HE TRP 22 -3.651 -5.741 -10.454 245 HE3 TRP 22 3HE TRP 22 -6.302 -1.470 -12.642 246 HZ2 TRP 22 2HZ TRP 22 -5.747 -4.724 -8.808 247 HZ3 TRP 22 3HZ TRP 22 -7.755 -1.383 -10.617 248 HH2 TRP 22 HH TRP 22 -7.523 -2.935 -8.743 249 H HIS 23 H HIS 23 -5.176 -2.529 -17.561 250 HA HIS 23 HA HIS 23 -2.476 -2.547 -18.697 251 2HB HIS 23 2HB HIS 23 -5.017 -3.604 -19.769 252 HD1 HIS 23 1HD HIS 23 -6.133 -2.679 -21.792 253 HD2 HIS 23 2HD HIS 23 -2.019 -1.859 -21.765 254 HE1 HIS 23 1HE HIS 23 -5.644 -1.406 -23.948 255 H PHE 24 H PHE 24 -1.984 -0.407 -18.135 256 HA PHE 24 HA PHE 24 -3.737 1.581 -19.400 257 2HB PHE 24 2HB PHE 24 -1.990 1.793 -16.874 258 HD1 PHE 24 1HD PHE 24 -5.188 3.246 -16.632 259 HD2 PHE 24 2HD PHE 24 -1.288 3.984 -18.132 260 HE1 PHE 24 1HE PHE 24 -5.650 5.713 -16.618 261 HE2 PHE 24 2HE PHE 24 -1.749 6.451 -18.119 262 HZ PHE 24 HZ PHE 24 -3.925 7.287 -17.363 263 H VAL 25 H VAL 25 -2.675 2.224 -21.230 264 HA VAL 25 HA VAL 25 0.164 2.901 -20.893 265 HB VAL 25 HB VAL 25 0.036 0.886 -22.172 266 1HG1 VAL 25 1HG1 VAL 25 -1.236 0.867 -24.371 267 2HG1 VAL 25 2HG1 VAL 25 -2.228 0.809 -22.894 268 3HG1 VAL 25 3HG1 VAL 25 -2.069 2.333 -23.801 269 1HG2 VAL 25 1HG2 VAL 25 1.558 1.574 -23.671 270 2HG2 VAL 25 2HG2 VAL 25 0.388 2.627 -24.505 271 3HG2 VAL 25 3HG2 VAL 25 1.240 3.216 -23.057 272 H LEU 26 H LEU 26 -1.098 4.965 -20.199 273 HA LEU 26 HA LEU 26 -1.773 6.475 -22.627 274 2HB LEU 26 2HB LEU 26 -3.177 7.866 -21.252 275 HG LEU 26 HG LEU 26 -3.758 4.957 -20.628 276 1HD1 LEU 26 1HD1 LEU 26 -6.056 6.723 -20.834 277 2HD1 LEU 26 2HD1 LEU 26 -5.606 5.571 -19.554 278 3HD1 LEU 26 3HD1 LEU 26 -4.949 7.225 -19.535 279 1HD2 LEU 26 1HD2 LEU 26 -5.517 5.743 -22.586 280 2HD2 LEU 26 2HD2 LEU 26 -4.011 6.559 -23.071 281 3HD2 LEU 26 3HD2 LEU 26 -4.033 4.795 -22.840 282 HA DPR 27 HA DPR 27 0.903 9.652 -20.936 283 1HB DPR 27 2HB DPR 27 1.043 11.196 -23.187 284 2HB DPR 27 3HB DPR 27 -0.128 11.464 -21.911 285 1HG DPR 27 2HG DPR 27 -0.541 10.272 -24.585 286 2HG DPR 27 3HG DPR 27 -1.732 10.931 -23.481 287 1HD DPR 27 2HD DPR 27 -1.193 8.156 -23.967 288 2HD DPR 27 3HD DPR 27 -2.301 8.817 -22.781 289 H GLY 28 H GLY 28 2.675 8.366 -20.601 290 1HA GLY 28 1HA GLY 28 4.089 7.461 -22.983 291 2HA GLY 28 2HA GLY 28 4.902 8.674 -22.015 292 H TYR 29 H TYR 29 2.744 5.943 -20.990 293 HA TYR 29 HA TYR 29 5.064 4.742 -19.657 294 2HB TYR 29 2HB TYR 29 2.891 4.289 -17.968 295 HD1 TYR 29 1HD TYR 29 3.939 4.377 -15.909 296 HD2 TYR 29 2HD TYR 29 4.662 7.525 -18.715 297 HE1 TYR 29 1HE TYR 29 5.467 5.529 -14.235 298 HE2 TYR 29 2HE TYR 29 6.188 8.665 -17.031 299 HH TYR 29 HH TYR 29 7.387 8.296 -15.155 300 H LYS 30 H LYS 30 5.296 2.775 -20.609 301 HA LYS 30 HA LYS 30 2.833 1.357 -21.326 302 2HB LYS 30 2HB LYS 30 5.602 0.694 -22.323 303 2HG LYS 30 2HG LYS 30 2.779 -0.065 -22.920 304 2HD LYS 30 2HD LYS 30 3.840 1.389 -24.917 305 2HE LYS 30 2HE LYS 30 5.656 -0.810 -24.735 306 1HZ LYS 30 1HZ LYS 30 4.126 -2.138 -26.026 307 2HZ LYS 30 2HZ LYS 30 3.880 -0.948 -27.112 308 H CYS 31 H CYS 31 2.295 0.483 -19.296 309 HA CYS 31 HA CYS 31 4.260 -1.467 -18.336 310 2HB CYS 31 2HB CYS 31 2.328 0.066 -16.588 311 H GLU 32 H GLU 32 3.467 -3.514 -18.665 312 HA GLU 32 HA GLU 32 0.572 -3.813 -18.482 313 2HB GLU 32 2HB GLU 32 1.842 -5.802 -20.221 314 2HG GLU 32 2HG GLU 32 -0.484 -3.890 -20.251 315 HE2 GLU 32 HE GLU 32 -1.484 -5.512 -22.351 316 H ILE 33 H ILE 33 0.369 -4.756 -16.465 317 HA ILE 33 HA ILE 33 2.157 -7.011 -15.899 318 HB ILE 33 HB ILE 33 0.545 -5.265 -14.034 319 2HG1 ILE 33 2HG1 ILE 33 2.605 -4.272 -13.365 320 1HG2 ILE 33 1HG2 ILE 33 1.993 -7.825 -13.653 321 2HG2 ILE 33 2HG2 ILE 33 2.268 -6.565 -12.426 322 3HG2 ILE 33 3HG2 ILE 33 0.615 -7.132 -12.763 323 1HD1 ILE 33 1HD1 ILE 33 4.770 -4.905 -14.284 324 2HD1 ILE 33 2HD1 ILE 33 4.008 -6.365 -13.610 325 3HD1 ILE 33 3HD1 ILE 33 4.011 -6.093 -15.369 326 H LEU 34 H LEU 34 0.797 -8.267 -17.470 327 HA LEU 34 HA LEU 34 -1.735 -9.058 -16.209 328 2HB LEU 34 2HB LEU 34 -1.627 -7.982 -18.570 329 HG LEU 34 HG LEU 34 -0.157 -10.368 -19.121 330 1HD1 LEU 34 1HD1 LEU 34 -2.960 -10.727 -19.581 331 2HD1 LEU 34 2HD1 LEU 34 -2.120 -10.646 -21.148 332 3HD1 LEU 34 3HD1 LEU 34 -1.610 -11.835 -19.925 333 1HD2 LEU 34 1HD2 LEU 34 -0.713 -7.821 -20.273 334 2HD2 LEU 34 2HD2 LEU 34 0.590 -8.968 -20.667 335 3HD2 LEU 34 3HD2 LEU 34 -0.970 -9.064 -21.521 336 H ALA 35 H ALA 35 -2.258 -11.360 -16.207 337 HA ALA 35 HA ALA 35 0.121 -13.054 -16.507 338 1HB ALA 35 1HB ALA 35 -1.578 -12.526 -14.121 339 2HB ALA 35 2HB ALA 35 -1.190 -14.235 -14.435 340 3HB ALA 35 3HB ALA 35 0.120 -13.049 -14.224 Start of MODEL 12 1 H THR 12 H THR 12 19.525 -0.707 -11.564 2 HA THR 12 HA THR 12 17.824 1.481 -12.465 3 HB THR 12 HB THR 12 19.735 2.830 -12.008 4 HG1 THR 12 1HG THR 12 21.110 0.250 -12.286 5 1HG2 THR 12 1HG2 THR 12 18.960 1.231 -9.972 6 2HG2 THR 12 2HG2 THR 12 20.586 0.552 -10.216 7 3HG2 THR 12 3HG2 THR 12 20.392 2.278 -9.826 8 H ALA 13 H ALA 13 18.723 2.781 -14.406 9 HA ALA 13 HA ALA 13 19.166 0.814 -16.537 10 1HB ALA 13 1HB ALA 13 17.427 3.131 -16.190 11 2HB ALA 13 2HB ALA 13 18.426 3.282 -17.657 12 3HB ALA 13 3HB ALA 13 17.384 1.856 -17.432 13 H LEU 14 H LEU 14 20.502 1.682 -18.432 14 HA LEU 14 HA LEU 14 22.813 3.072 -17.296 15 2HB LEU 14 2HB LEU 14 23.259 0.855 -18.125 16 HG LEU 14 HG LEU 14 21.426 1.152 -20.081 17 1HD1 LEU 14 1HD1 LEU 14 22.194 1.814 -22.108 18 2HD1 LEU 14 2HD1 LEU 14 23.270 2.806 -21.095 19 3HD1 LEU 14 3HD1 LEU 14 23.859 1.275 -21.785 20 1HD2 LEU 14 1HD2 LEU 14 21.904 -0.993 -20.487 21 2HD2 LEU 14 2HD2 LEU 14 23.587 -0.635 -20.941 22 3HD2 LEU 14 3HD2 LEU 14 23.146 -0.811 -19.226 23 H ASN 15 H ASN 15 23.476 5.044 -18.057 24 HA ASN 15 HA ASN 15 21.759 6.160 -20.120 25 2HB ASN 15 2HB ASN 15 21.712 7.469 -18.066 26 1HD2 ASN 15 1HD2 ASN 15 22.754 6.345 -16.398 27 2HD2 ASN 15 2HD2 ASN 15 24.351 6.750 -15.863 28 H THR 16 H THR 16 22.922 5.471 -22.017 29 HA THR 16 HA THR 16 25.647 6.568 -22.236 30 HB THR 16 HB THR 16 26.078 4.528 -23.709 31 HG1 THR 16 1HG THR 16 24.367 3.030 -23.791 32 1HG2 THR 16 1HG2 THR 16 25.232 4.128 -20.801 33 2HG2 THR 16 2HG2 THR 16 25.898 2.800 -21.782 34 3HG2 THR 16 3HG2 THR 16 26.887 4.243 -21.449 35 HA DPR 17 HA DPR 17 24.478 7.652 -26.363 36 1HB DPR 17 2HB DPR 17 26.332 9.633 -26.689 37 2HB DPR 17 3HB DPR 17 26.626 7.963 -27.132 38 1HG DPR 17 2HG DPR 17 27.646 9.469 -24.802 39 2HG DPR 17 3HG DPR 17 28.246 7.973 -25.490 40 1HD DPR 17 2HD DPR 17 26.677 8.258 -23.106 41 2HD DPR 17 3HD DPR 17 27.177 6.756 -23.857 42 H ALA 18 H ALA 18 22.409 8.287 -25.647 43 HA ALA 18 HA ALA 18 22.167 10.766 -24.285 44 1HB ALA 18 1HB ALA 18 20.998 10.960 -27.026 45 2HB ALA 18 2HB ALA 18 21.668 12.230 -25.975 46 3HB ALA 18 3HB ALA 18 22.761 11.165 -26.891 47 H VAL 19 H VAL 19 21.345 7.916 -24.137 48 HA VAL 19 HA VAL 19 18.457 8.406 -24.100 49 HB VAL 19 HB VAL 19 18.271 5.925 -24.725 50 1HG1 VAL 19 1HG1 VAL 19 18.492 6.506 -27.209 51 2HG1 VAL 19 2HG1 VAL 19 17.411 7.528 -26.232 52 3HG1 VAL 19 3HG1 VAL 19 19.035 8.114 -26.670 53 1HG2 VAL 19 1HG2 VAL 19 20.917 6.379 -26.105 54 2HG2 VAL 19 2HG2 VAL 19 20.829 5.640 -24.489 55 3HG2 VAL 19 3HG2 VAL 19 20.019 4.861 -25.869 56 H GLN 20 H GLN 20 17.374 7.520 -22.309 57 HA GLN 20 HA GLN 20 18.974 5.914 -20.520 58 2HB GLN 20 2HB GLN 20 17.562 8.442 -19.566 59 2HG GLN 20 2HG GLN 20 19.564 7.597 -17.762 60 1HE2 GLN 20 1HE2 GLN 20 17.993 5.951 -16.096 61 2HE2 GLN 20 2HE2 GLN 20 16.610 6.841 -15.554 62 H LYS 21 H LYS 21 17.605 4.129 -20.854 63 HA LYS 21 HA LYS 21 14.910 4.489 -19.772 64 2HB LYS 21 2HB LYS 21 14.779 4.524 -22.245 65 2HG LYS 21 2HG LYS 21 15.098 1.915 -23.043 66 2HD LYS 21 2HD LYS 21 17.030 4.264 -23.115 67 2HE LYS 21 2HE LYS 21 17.857 1.629 -23.476 68 1HZ LYS 21 1HZ LYS 21 16.704 2.643 -25.956 69 2HZ LYS 21 2HZ LYS 21 18.170 1.946 -26.092 70 H TRP 22 H TRP 22 14.006 2.517 -18.830 71 HA TRP 22 HA TRP 22 16.100 0.544 -18.221 72 2HB TRP 22 2HB TRP 22 15.738 2.026 -16.314 73 HD1 TRP 22 HD TRP 22 13.391 3.609 -17.141 74 HE1 TRP 22 1HE TRP 22 11.031 3.770 -15.970 75 HE3 TRP 22 3HE TRP 22 13.759 -0.789 -14.615 76 HZ2 TRP 22 2HZ TRP 22 9.616 2.078 -14.160 77 HZ3 TRP 22 3HZ TRP 22 11.844 -1.461 -13.168 78 HH2 TRP 22 HH TRP 22 9.824 -0.108 -12.919 79 H HIS 23 H HIS 23 15.526 -1.502 -18.838 80 HA HIS 23 HA HIS 23 12.664 -1.959 -19.281 81 2HB HIS 23 2HB HIS 23 15.040 -3.069 -20.799 82 HD1 HIS 23 1HD HIS 23 12.865 -3.150 -23.297 83 HD2 HIS 23 2HD HIS 23 12.769 -5.258 -19.671 84 HE1 HIS 23 1HE HIS 23 11.411 -5.208 -23.704 85 H PHE 24 H PHE 24 11.977 -3.028 -17.468 86 HA PHE 24 HA PHE 24 13.594 -5.351 -16.683 87 2HB PHE 24 2HB PHE 24 11.793 -3.491 -15.017 88 HD1 PHE 24 1HD PHE 24 11.441 -3.991 -12.750 89 HD2 PHE 24 2HD PHE 24 14.203 -6.311 -14.985 90 HE1 PHE 24 1HE PHE 24 11.610 -5.621 -10.849 91 HE2 PHE 24 2HE PHE 24 14.372 -7.941 -13.084 92 HZ PHE 24 HZ PHE 24 13.074 -7.576 -11.038 93 H VAL 25 H VAL 25 12.535 -7.132 -17.448 94 HA VAL 25 HA VAL 25 9.611 -7.138 -17.149 95 HB VAL 25 HB VAL 25 10.281 -7.193 -19.456 96 1HG1 VAL 25 1HG1 VAL 25 12.350 -9.033 -18.456 97 2HG1 VAL 25 2HG1 VAL 25 11.579 -9.560 -19.971 98 3HG1 VAL 25 3HG1 VAL 25 12.355 -7.960 -19.875 99 1HG2 VAL 25 1HG2 VAL 25 9.676 -10.000 -19.485 100 2HG2 VAL 25 2HG2 VAL 25 8.756 -9.219 -18.177 101 3HG2 VAL 25 3HG2 VAL 25 8.614 -8.619 -19.847 102 H LEU 26 H LEU 26 8.650 -8.803 -16.002 103 HA LEU 26 HA LEU 26 10.484 -10.854 -14.980 104 2HB LEU 26 2HB LEU 26 9.363 -10.730 -12.824 105 HG LEU 26 HG LEU 26 11.148 -8.772 -13.745 106 1HD1 LEU 26 1HD1 LEU 26 9.514 -7.224 -11.851 107 2HD1 LEU 26 2HD1 LEU 26 10.402 -6.706 -13.303 108 3HD1 LEU 26 3HD1 LEU 26 8.784 -7.431 -13.462 109 1HD2 LEU 26 1HD2 LEU 26 11.090 -8.421 -11.027 110 2HD2 LEU 26 2HD2 LEU 26 10.359 -10.033 -11.213 111 3HD2 LEU 26 3HD2 LEU 26 11.974 -9.705 -11.886 112 HA DPR 27 HA DPR 27 7.419 -13.638 -16.190 113 1HB DPR 27 2HB DPR 27 8.269 -14.406 -18.672 114 2HB DPR 27 3HB DPR 27 8.958 -15.032 -17.186 115 1HG DPR 27 2HG DPR 27 10.094 -13.055 -19.068 116 2HG DPR 27 3HG DPR 27 10.913 -13.997 -17.838 117 1HD DPR 27 2HD DPR 27 10.203 -11.223 -17.684 118 2HD DPR 27 3HD DPR 27 10.917 -12.195 -16.412 119 H GLY 28 H GLY 28 5.547 -12.395 -16.135 120 1HA GLY 28 1HA GLY 28 4.622 -11.755 -18.853 121 2HA GLY 28 2HA GLY 28 3.621 -12.061 -17.447 122 H TYR 29 H TYR 29 5.553 -10.352 -15.736 123 HA TYR 29 HA TYR 29 4.144 -7.897 -16.144 124 2HB TYR 29 2HB TYR 29 6.216 -7.488 -14.308 125 HD1 TYR 29 1HD TYR 29 4.315 -6.072 -13.574 126 HD2 TYR 29 2HD TYR 29 4.178 -10.338 -13.272 127 HE1 TYR 29 1HE TYR 29 2.356 -5.902 -11.961 128 HE2 TYR 29 2HE TYR 29 2.221 -10.153 -11.660 129 HH TYR 29 HH TYR 29 0.361 -8.360 -11.286 130 H LYS 30 H LYS 30 4.703 -6.726 -17.954 131 HA LYS 30 HA LYS 30 7.577 -6.206 -18.284 132 2HB LYS 30 2HB LYS 30 5.378 -6.322 -20.368 133 2HG LYS 30 2HG LYS 30 8.312 -6.042 -21.000 134 2HD LYS 30 2HD LYS 30 7.187 -4.629 -22.879 135 2HE LYS 30 2HE LYS 30 6.989 -7.617 -22.490 136 1HZ LYS 30 1HZ LYS 30 6.010 -7.834 -24.657 137 2HZ LYS 30 2HZ LYS 30 5.005 -6.881 -23.803 138 H CYS 31 H CYS 31 8.116 -4.249 -17.492 139 HA CYS 31 HA CYS 31 6.196 -2.090 -17.969 140 2HB CYS 31 2HB CYS 31 7.944 -1.931 -15.569 141 H GLU 32 H GLU 32 7.280 -1.225 -19.777 142 HA GLU 32 HA GLU 32 10.086 -0.572 -19.312 143 2HB GLU 32 2HB GLU 32 9.951 -2.056 -21.189 144 2HG GLU 32 2HG GLU 32 7.461 -0.519 -21.756 145 HE2 GLU 32 HE GLU 32 6.910 -0.692 -24.635 146 H ILE 33 H ILE 33 10.612 1.575 -19.160 147 HA ILE 33 HA ILE 33 8.720 3.487 -20.324 148 HB ILE 33 HB ILE 33 9.911 3.555 -17.552 149 2HG1 ILE 33 2HG1 ILE 33 7.394 2.625 -18.616 150 1HG2 ILE 33 1HG2 ILE 33 8.032 5.683 -18.192 151 2HG2 ILE 33 2HG2 ILE 33 9.643 5.761 -17.438 152 3HG2 ILE 33 3HG2 ILE 33 9.490 5.745 -19.212 153 1HD1 ILE 33 1HD1 ILE 33 7.876 2.871 -15.676 154 2HD1 ILE 33 2HD1 ILE 33 7.376 1.456 -16.632 155 3HD1 ILE 33 3HD1 ILE 33 9.087 1.942 -16.592 156 H LEU 34 H LEU 34 9.707 4.831 -21.731 157 HA LEU 34 HA LEU 34 12.614 5.130 -21.422 158 2HB LEU 34 2HB LEU 34 11.837 3.822 -23.396 159 HG LEU 34 HG LEU 34 10.137 6.093 -23.864 160 1HD1 LEU 34 1HD1 LEU 34 12.510 5.919 -25.613 161 2HD1 LEU 34 2HD1 LEU 34 10.945 6.007 -26.457 162 3HD1 LEU 34 3HD1 LEU 34 11.403 7.277 -25.296 163 1HD2 LEU 34 1HD2 LEU 34 9.344 4.610 -25.750 164 2HD2 LEU 34 2HD2 LEU 34 10.612 3.458 -25.269 165 3HD2 LEU 34 3HD2 LEU 34 9.316 3.884 -24.124 166 H ALA 35 H ALA 35 13.496 7.204 -21.482 167 HA ALA 35 HA ALA 35 11.535 9.378 -21.727 168 1HB ALA 35 1HB ALA 35 12.207 8.774 -19.333 169 2HB ALA 35 2HB ALA 35 13.846 9.327 -19.756 170 3HB ALA 35 3HB ALA 35 12.480 10.465 -19.819 171 H THR 12 H THR 12 -6.867 0.626 -13.755 172 HA THR 12 HA THR 12 -9.494 -0.183 -12.701 173 HB THR 12 HB THR 12 -10.179 0.193 -15.134 174 HG1 THR 12 1HG THR 12 -7.908 -0.072 -15.885 175 1HG2 THR 12 1HG2 THR 12 -10.528 2.448 -14.779 176 2HG2 THR 12 2HG2 THR 12 -9.847 2.119 -13.168 177 3HG2 THR 12 3HG2 THR 12 -8.803 2.752 -14.463 178 H ALA 13 H ALA 13 -10.537 -2.056 -13.803 179 HA ALA 13 HA ALA 13 -8.495 -4.002 -14.633 180 1HB ALA 13 1HB ALA 13 -9.726 -5.708 -13.362 181 2HB ALA 13 2HB ALA 13 -9.211 -4.385 -12.287 182 3HB ALA 13 3HB ALA 13 -10.903 -4.484 -12.830 183 H LEU 14 H LEU 14 -8.875 -4.792 -16.639 184 HA LEU 14 HA LEU 14 -11.612 -4.499 -17.660 185 2HB LEU 14 2HB LEU 14 -10.215 -4.817 -19.890 186 HG LEU 14 HG LEU 14 -9.694 -2.285 -19.873 187 1HD1 LEU 14 1HD1 LEU 14 -12.211 -3.752 -20.049 188 2HD1 LEU 14 2HD1 LEU 14 -12.439 -2.035 -19.639 189 3HD1 LEU 14 3HD1 LEU 14 -11.539 -2.487 -21.106 190 1HD2 LEU 14 1HD2 LEU 14 -9.581 -1.821 -17.550 191 2HD2 LEU 14 2HD2 LEU 14 -11.064 -1.042 -18.155 192 3HD2 LEU 14 3HD2 LEU 14 -11.167 -2.571 -17.248 193 H ASN 15 H ASN 15 -12.674 -6.273 -18.555 194 HA ASN 15 HA ASN 15 -11.397 -8.789 -17.912 195 2HB ASN 15 2HB ASN 15 -13.684 -8.413 -17.019 196 1HD2 ASN 15 1HD2 ASN 15 -15.785 -9.577 -18.780 197 2HD2 ASN 15 2HD2 ASN 15 -16.457 -8.256 -19.676 198 H THR 16 H THR 16 -10.931 -10.329 -19.561 199 HA THR 16 HA THR 16 -11.879 -9.722 -22.266 200 HB THR 16 HB THR 16 -9.564 -8.719 -21.852 201 HG1 THR 16 1HG THR 16 -9.841 -11.073 -23.587 202 1HG2 THR 16 1HG2 THR 16 -9.052 -11.226 -20.632 203 2HG2 THR 16 2HG2 THR 16 -8.238 -11.317 -22.212 204 3HG2 THR 16 3HG2 THR 16 -7.835 -10.006 -21.078 205 HA DPR 17 HA DPR 17 -12.531 -13.960 -22.406 206 1HB DPR 17 2HB DPR 17 -15.025 -14.284 -21.336 207 2HB DPR 17 3HB DPR 17 -14.750 -13.711 -22.969 208 1HG DPR 17 2HG DPR 17 -15.576 -12.176 -20.582 209 2HG DPR 17 3HG DPR 17 -15.704 -11.731 -22.272 210 1HD DPR 17 2HD DPR 17 -13.770 -10.767 -20.386 211 2HD DPR 17 3HD DPR 17 -13.829 -10.412 -22.101 212 H ALA 18 H ALA 18 -12.526 -16.034 -21.393 213 HA ALA 18 HA ALA 18 -12.947 -16.503 -18.769 214 1HB ALA 18 1HB ALA 18 -10.735 -18.066 -19.305 215 2HB ALA 18 2HB ALA 18 -12.406 -18.462 -19.773 216 3HB ALA 18 3HB ALA 18 -11.319 -17.671 -20.940 217 H VAL 19 H VAL 19 -9.674 -15.721 -20.162 218 HA VAL 19 HA VAL 19 -8.647 -15.172 -17.559 219 HB VAL 19 HB VAL 19 -6.603 -14.721 -18.692 220 1HG1 VAL 19 1HG1 VAL 19 -6.225 -16.785 -19.803 221 2HG1 VAL 19 2HG1 VAL 19 -7.500 -17.102 -18.604 222 3HG1 VAL 19 3HG1 VAL 19 -7.924 -16.906 -20.321 223 1HG2 VAL 19 1HG2 VAL 19 -8.245 -14.569 -21.242 224 2HG2 VAL 19 2HG2 VAL 19 -7.362 -13.242 -20.450 225 3HG2 VAL 19 3HG2 VAL 19 -6.467 -14.596 -21.179 226 H GLN 20 H GLN 20 -7.596 -13.026 -17.021 227 HA GLN 20 HA GLN 20 -9.196 -10.867 -18.156 228 2HB GLN 20 2HB GLN 20 -9.384 -9.843 -15.964 229 2HG GLN 20 2HG GLN 20 -9.941 -12.844 -15.882 230 1HE2 GLN 20 1HE2 GLN 20 -11.954 -13.202 -14.520 231 2HE2 GLN 20 2HE2 GLN 20 -11.974 -12.500 -12.936 232 H LYS 21 H LYS 21 -8.128 -8.796 -18.359 233 HA LYS 21 HA LYS 21 -5.259 -8.843 -17.799 234 2HB LYS 21 2HB LYS 21 -5.714 -9.517 -20.187 235 2HG LYS 21 2HG LYS 21 -6.527 -6.584 -20.440 236 2HD LYS 21 2HD LYS 21 -6.926 -8.653 -22.585 237 2HE LYS 21 2HE LYS 21 -6.001 -5.742 -22.655 238 1HZ LYS 21 1HZ LYS 21 -6.127 -7.711 -24.630 239 2HZ LYS 21 2HZ LYS 21 -7.355 -6.687 -24.939 240 H TRP 22 H TRP 22 -4.533 -6.983 -16.863 241 HA TRP 22 HA TRP 22 -6.348 -4.673 -16.997 242 2HB TRP 22 2HB TRP 22 -6.767 -5.344 -14.854 243 HD1 TRP 22 HD TRP 22 -2.909 -5.494 -14.290 244 HE1 TRP 22 1HE TRP 22 -2.242 -7.714 -13.027 245 HE3 TRP 22 3HE TRP 22 -7.577 -7.511 -14.276 246 HZ2 TRP 22 2HZ TRP 22 -3.709 -10.011 -12.183 247 HZ3 TRP 22 3HZ TRP 22 -7.873 -9.746 -13.213 248 HH2 TRP 22 HH TRP 22 -6.033 -10.989 -12.190 249 H HIS 23 H HIS 23 -5.122 -3.640 -18.634 250 HA HIS 23 HA HIS 23 -2.310 -3.194 -17.963 251 2HB HIS 23 2HB HIS 23 -2.839 -4.328 -20.127 252 HD1 HIS 23 1HD HIS 23 -5.568 -3.903 -20.552 253 HD2 HIS 23 2HD HIS 23 -2.871 -1.091 -22.106 254 HE1 HIS 23 1HE HIS 23 -6.836 -2.618 -22.355 255 H PHE 24 H PHE 24 -1.618 -1.160 -17.437 256 HA PHE 24 HA PHE 24 -3.521 1.018 -17.939 257 2HB PHE 24 2HB PHE 24 -1.654 0.488 -15.550 258 HD1 PHE 24 1HD PHE 24 -0.908 2.432 -14.576 259 HD2 PHE 24 2HD PHE 24 -4.785 2.389 -16.301 260 HE1 PHE 24 1HE PHE 24 -1.276 4.794 -13.810 261 HE2 PHE 24 2HE PHE 24 -5.153 4.751 -15.535 262 HZ PHE 24 HZ PHE 24 -3.393 5.925 -14.298 263 H VAL 25 H VAL 25 -2.535 2.030 -19.677 264 HA VAL 25 HA VAL 25 0.336 2.542 -19.438 265 HB VAL 25 HB VAL 25 0.253 3.005 -21.810 266 1HG1 VAL 25 1HG1 VAL 25 0.239 0.820 -22.454 267 2HG1 VAL 25 2HG1 VAL 25 0.125 0.561 -20.697 268 3HG1 VAL 25 3HG1 VAL 25 -1.341 0.491 -21.704 269 1HG2 VAL 25 1HG2 VAL 25 -1.916 4.043 -22.026 270 2HG2 VAL 25 2HG2 VAL 25 -1.852 2.626 -23.101 271 3HG2 VAL 25 3HG2 VAL 25 -2.735 2.534 -21.558 272 H LEU 26 H LEU 26 1.160 4.629 -19.320 273 HA LEU 26 HA LEU 26 -0.852 6.766 -19.285 274 2HB LEU 26 2HB LEU 26 1.007 7.663 -17.535 275 HG LEU 26 HG LEU 26 -1.419 5.971 -16.894 276 1HD1 LEU 26 1HD1 LEU 26 0.124 7.695 -14.944 277 2HD1 LEU 26 2HD1 LEU 26 -1.267 6.636 -14.610 278 3HD1 LEU 26 3HD1 LEU 26 0.301 5.928 -15.067 279 1HD2 LEU 26 1HD2 LEU 26 -1.096 8.958 -16.598 280 2HD2 LEU 26 2HD2 LEU 26 -1.677 8.197 -18.099 281 3HD2 LEU 26 3HD2 LEU 26 -2.590 7.990 -16.585 282 HA DPR 27 HA DPR 27 1.851 8.608 -22.112 283 1HB DPR 27 2HB DPR 27 1.388 7.390 -24.515 284 2HB DPR 27 3HB DPR 27 0.317 8.596 -23.830 285 1HG DPR 27 2HG DPR 27 -0.049 5.666 -23.988 286 2HG DPR 27 3HG DPR 27 -1.252 6.909 -23.708 287 1HD DPR 27 2HD DPR 27 -0.101 5.163 -21.745 288 2HD DPR 27 3HD DPR 27 -1.217 6.481 -21.450 289 H GLY 28 H GLY 28 3.913 8.360 -21.362 290 1HA GLY 28 1HA GLY 28 5.590 6.760 -23.020 291 2HA GLY 28 2HA GLY 28 6.055 7.688 -21.607 292 H TYR 29 H TYR 29 4.121 6.421 -19.753 293 HA TYR 29 HA TYR 29 5.708 4.134 -19.096 294 2HB TYR 29 2HB TYR 29 3.473 4.177 -17.438 295 HD1 TYR 29 1HD TYR 29 4.691 3.755 -15.504 296 HD2 TYR 29 2HD TYR 29 5.768 7.109 -17.932 297 HE1 TYR 29 1HE TYR 29 6.426 4.454 -13.782 298 HE2 TYR 29 2HE TYR 29 7.499 7.796 -16.202 299 HH TYR 29 HH TYR 29 8.642 7.107 -14.431 300 H LYS 30 H LYS 30 5.456 2.236 -20.181 301 HA LYS 30 HA LYS 30 2.697 1.466 -20.834 302 2HB LYS 30 2HB LYS 30 4.206 -0.141 -22.406 303 2HG LYS 30 2HG LYS 30 3.868 2.570 -23.558 304 2HD LYS 30 2HD LYS 30 1.989 0.500 -24.412 305 2HE LYS 30 2HE LYS 30 3.775 0.767 -26.455 306 1HZ LYS 30 1HZ LYS 30 1.956 1.803 -27.226 307 2HZ LYS 30 2HZ LYS 30 1.352 1.970 -25.723 308 H CYS 31 H CYS 31 2.166 0.501 -18.847 309 HA CYS 31 HA CYS 31 3.870 -1.776 -18.144 310 2HB CYS 31 2HB CYS 31 1.914 -0.742 -16.170 311 H GLU 32 H GLU 32 2.925 -3.495 -19.251 312 HA GLU 32 HA GLU 32 0.067 -3.825 -18.782 313 2HB GLU 32 2HB GLU 32 0.224 -3.241 -21.096 314 2HG GLU 32 2HG GLU 32 2.805 -4.629 -20.903 315 HE2 GLU 32 HE GLU 32 2.931 -4.462 -23.850 316 H ILE 33 H ILE 33 -0.591 -5.879 -18.104 317 HA ILE 33 HA ILE 33 1.458 -7.969 -18.140 318 HB ILE 33 HB ILE 33 -0.138 -7.051 -15.751 319 2HG1 ILE 33 2HG1 ILE 33 2.595 -6.610 -16.687 320 1HG2 ILE 33 1HG2 ILE 33 1.329 -8.973 -14.685 321 2HG2 ILE 33 2HG2 ILE 33 -0.262 -9.308 -15.412 322 3HG2 ILE 33 3HG2 ILE 33 1.226 -9.647 -16.330 323 1HD1 ILE 33 1HD1 ILE 33 0.572 -5.128 -15.553 324 2HD1 ILE 33 2HD1 ILE 33 1.608 -5.437 -14.139 325 3HD1 ILE 33 3HD1 ILE 33 2.281 -4.633 -15.578 326 H LEU 34 H LEU 34 0.614 -10.130 -18.207 327 HA LEU 34 HA LEU 34 -2.246 -10.193 -18.878 328 2HB LEU 34 2HB LEU 34 -0.550 -12.276 -20.051 329 HG LEU 34 HG LEU 34 -3.013 -11.044 -20.669 330 1HD1 LEU 34 1HD1 LEU 34 -0.816 -10.224 -22.534 331 2HD1 LEU 34 2HD1 LEU 34 -2.426 -10.604 -23.188 332 3HD1 LEU 34 3HD1 LEU 34 -2.240 -9.317 -21.973 333 1HD2 LEU 34 1HD2 LEU 34 -1.304 -13.179 -21.926 334 2HD2 LEU 34 2HD2 LEU 34 -2.817 -13.335 -21.001 335 3HD2 LEU 34 3HD2 LEU 34 -2.850 -12.688 -22.659 336 H ALA 35 H ALA 35 -3.492 -11.542 -17.676 337 HA ALA 35 HA ALA 35 -2.049 -13.506 -16.028 338 1HB ALA 35 1HB ALA 35 -3.080 -12.714 -14.182 339 2HB ALA 35 2HB ALA 35 -3.464 -11.275 -15.158 340 3HB ALA 35 3HB ALA 35 -4.650 -12.593 -15.012 Start of MODEL 13 1 H THR 12 H THR 12 17.993 -4.492 -21.228 2 HA THR 12 HA THR 12 18.086 -2.810 -23.319 3 HB THR 12 HB THR 12 16.312 -1.085 -22.818 4 HG1 THR 12 1HG THR 12 15.975 -1.669 -20.584 5 1HG2 THR 12 1HG2 THR 12 15.766 -2.924 -24.471 6 2HG2 THR 12 2HG2 THR 12 15.139 -3.899 -23.121 7 3HG2 THR 12 3HG2 THR 12 14.338 -2.372 -23.563 8 H ALA 13 H ALA 13 19.909 -1.776 -22.839 9 HA ALA 13 HA ALA 13 20.068 -0.464 -20.245 10 1HB ALA 13 1HB ALA 13 21.589 -2.851 -21.072 11 2HB ALA 13 2HB ALA 13 22.616 -1.502 -20.532 12 3HB ALA 13 3HB ALA 13 21.355 -2.150 -19.453 13 H LEU 14 H LEU 14 19.501 1.167 -22.104 14 HA LEU 14 HA LEU 14 22.031 2.362 -22.866 15 2HB LEU 14 2HB LEU 14 20.180 2.513 -25.085 16 HG LEU 14 HG LEU 14 22.874 2.701 -24.858 17 1HD1 LEU 14 1HD1 LEU 14 22.603 0.012 -24.611 18 2HD1 LEU 14 2HD1 LEU 14 22.811 0.167 -26.373 19 3HD1 LEU 14 3HD1 LEU 14 24.044 0.825 -25.270 20 1HD2 LEU 14 1HD2 LEU 14 21.351 3.422 -26.727 21 2HD2 LEU 14 2HD2 LEU 14 22.950 2.824 -27.234 22 3HD2 LEU 14 3HD2 LEU 14 21.515 1.783 -27.402 23 H ASN 15 H ASN 15 21.052 3.521 -20.879 24 HA ASN 15 HA ASN 15 19.197 5.525 -21.904 25 2HB ASN 15 2HB ASN 15 18.076 4.206 -20.164 26 1HD2 ASN 15 1HD2 ASN 15 18.560 5.258 -17.402 27 2HD2 ASN 15 2HD2 ASN 15 19.767 4.230 -16.704 28 H THR 16 H THR 16 20.546 7.307 -22.308 29 HA THR 16 HA THR 16 22.252 8.182 -20.090 30 HB THR 16 HB THR 16 23.658 6.921 -21.743 31 HG1 THR 16 1HG THR 16 24.669 8.729 -20.767 32 1HG2 THR 16 1HG2 THR 16 22.007 8.211 -23.676 33 2HG2 THR 16 2HG2 THR 16 23.597 9.002 -23.800 34 3HG2 THR 16 3HG2 THR 16 23.464 7.239 -23.999 35 HA DPR 17 HA DPR 17 20.413 11.968 -20.939 36 1HB DPR 17 2HB DPR 17 17.982 11.886 -19.693 37 2HB DPR 17 3HB DPR 17 19.489 12.145 -18.838 38 1HG DPR 17 2HG DPR 17 17.818 9.708 -18.954 39 2HG DPR 17 3HG DPR 17 19.067 10.130 -17.799 40 1HD DPR 17 2HD DPR 17 19.297 8.275 -19.975 41 2HD DPR 17 3HD DPR 17 20.578 8.783 -18.891 42 H ALA 18 H ALA 18 20.449 11.642 -23.252 43 HA ALA 18 HA ALA 18 18.281 12.513 -24.522 44 1HB ALA 18 1HB ALA 18 19.154 11.171 -26.517 45 2HB ALA 18 2HB ALA 18 20.339 12.217 -25.698 46 3HB ALA 18 3HB ALA 18 20.343 10.462 -25.397 47 H VAL 19 H VAL 19 19.024 8.958 -24.266 48 HA VAL 19 HA VAL 19 16.128 8.511 -24.482 49 HB VAL 19 HB VAL 19 17.461 7.659 -26.350 50 1HG1 VAL 19 1HG1 VAL 19 19.489 6.791 -26.032 51 2HG1 VAL 19 2HG1 VAL 19 19.265 6.867 -24.268 52 3HG1 VAL 19 3HG1 VAL 19 18.758 5.417 -25.166 53 1HG2 VAL 19 1HG2 VAL 19 16.718 5.246 -26.192 54 2HG2 VAL 19 2HG2 VAL 19 16.216 5.589 -24.518 55 3HG2 VAL 19 3HG2 VAL 19 15.454 6.458 -25.872 56 H GLN 20 H GLN 20 15.174 6.881 -23.100 57 HA GLN 20 HA GLN 20 16.885 6.109 -20.883 58 2HB GLN 20 2HB GLN 20 15.725 8.044 -20.030 59 2HG GLN 20 2HG GLN 20 13.022 7.597 -20.016 60 1HE2 GLN 20 1HE2 GLN 20 13.558 8.128 -23.255 61 2HE2 GLN 20 2HE2 GLN 20 13.748 9.849 -23.271 62 H LYS 21 H LYS 21 16.884 4.036 -22.089 63 HA LYS 21 HA LYS 21 14.319 2.633 -21.805 64 2HB LYS 21 2HB LYS 21 14.882 2.799 -24.124 65 2HG LYS 21 2HG LYS 21 17.618 1.766 -23.254 66 2HD LYS 21 2HD LYS 21 18.103 1.905 -25.769 67 2HE LYS 21 2HE LYS 21 16.223 -0.179 -24.595 68 1HZ LYS 21 1HZ LYS 21 15.816 -0.449 -26.867 69 2HZ LYS 21 2HZ LYS 21 17.305 0.018 -27.332 70 H TRP 22 H TRP 22 14.924 2.359 -19.496 71 HA TRP 22 HA TRP 22 16.741 0.070 -19.247 72 2HB TRP 22 2HB TRP 22 17.839 2.218 -18.537 73 HD1 TRP 22 HD TRP 22 14.573 2.938 -17.739 74 HE1 TRP 22 1HE TRP 22 14.125 4.484 -15.647 75 HE3 TRP 22 3HE TRP 22 19.121 2.228 -15.578 76 HZ2 TRP 22 2HZ TRP 22 15.688 5.220 -13.376 77 HZ3 TRP 22 3HZ TRP 22 19.579 3.396 -13.424 78 HH2 TRP 22 HH TRP 22 17.950 4.851 -12.326 79 H HIS 23 H HIS 23 14.514 -0.960 -19.523 80 HA HIS 23 HA HIS 23 12.871 -0.639 -17.140 81 2HB HIS 23 2HB HIS 23 12.178 -0.741 -19.775 82 HD1 HIS 23 1HD HIS 23 12.937 -2.741 -21.242 83 HD2 HIS 23 2HD HIS 23 10.477 -3.822 -18.020 84 HE1 HIS 23 1HE HIS 23 12.239 -5.160 -21.656 85 H PHE 24 H PHE 24 11.756 -2.926 -16.539 86 HA PHE 24 HA PHE 24 13.867 -4.953 -16.533 87 2HB PHE 24 2HB PHE 24 12.451 -3.489 -14.298 88 HD1 PHE 24 1HD PHE 24 14.288 -6.742 -14.388 89 HD2 PHE 24 2HD PHE 24 10.949 -4.570 -12.924 90 HE1 PHE 24 1HE PHE 24 13.609 -8.720 -13.001 91 HE2 PHE 24 2HE PHE 24 10.271 -6.549 -11.537 92 HZ PHE 24 HZ PHE 24 11.609 -8.600 -11.592 93 H VAL 25 H VAL 25 13.078 -6.835 -17.339 94 HA VAL 25 HA VAL 25 10.178 -7.211 -17.236 95 HB VAL 25 HB VAL 25 11.476 -7.202 -19.408 96 1HG1 VAL 25 1HG1 VAL 25 13.271 -8.783 -18.180 97 2HG1 VAL 25 2HG1 VAL 25 12.253 -10.038 -18.926 98 3HG1 VAL 25 3HG1 VAL 25 13.017 -8.792 -19.942 99 1HG2 VAL 25 1HG2 VAL 25 10.085 -8.845 -20.398 100 2HG2 VAL 25 2HG2 VAL 25 10.021 -9.809 -18.903 101 3HG2 VAL 25 3HG2 VAL 25 9.184 -8.240 -18.987 102 H LEU 26 H LEU 26 9.290 -9.258 -16.545 103 HA LEU 26 HA LEU 26 11.016 -11.219 -15.410 104 2HB LEU 26 2HB LEU 26 9.278 -9.775 -13.428 105 HG LEU 26 HG LEU 26 10.901 -10.647 -11.785 106 1HD1 LEU 26 1HD1 LEU 26 8.755 -11.905 -12.793 107 2HD1 LEU 26 2HD1 LEU 26 10.005 -13.116 -13.171 108 3HD1 LEU 26 3HD1 LEU 26 9.763 -12.580 -11.491 109 1HD2 LEU 26 1HD2 LEU 26 12.031 -12.306 -14.052 110 2HD2 LEU 26 2HD2 LEU 26 12.812 -10.858 -13.371 111 3HD2 LEU 26 3HD2 LEU 26 12.553 -12.293 -12.350 112 HA DPR 27 HA DPR 27 7.445 -13.545 -16.080 113 1HB DPR 27 2HB DPR 27 7.819 -14.442 -18.634 114 2HB DPR 27 3HB DPR 27 8.613 -15.153 -17.243 115 1HG DPR 27 2HG DPR 27 9.746 -13.372 -19.314 116 2HG DPR 27 3HG DPR 27 10.585 -14.417 -18.186 117 1HD DPR 27 2HD DPR 27 10.308 -11.568 -18.005 118 2HD DPR 27 3HD DPR 27 11.047 -12.627 -16.820 119 H GLY 28 H GLY 28 5.367 -13.002 -16.223 120 1HA GLY 28 1HA GLY 28 4.443 -11.801 -18.675 121 2HA GLY 28 2HA GLY 28 3.498 -12.224 -17.260 122 H TYR 29 H TYR 29 5.132 -10.787 -15.284 123 HA TYR 29 HA TYR 29 3.962 -8.208 -15.631 124 2HB TYR 29 2HB TYR 29 5.705 -8.081 -13.478 125 HD1 TYR 29 1HD TYR 29 4.074 -6.940 -12.241 126 HD2 TYR 29 2HD TYR 29 3.208 -10.860 -13.720 127 HE1 TYR 29 1HE TYR 29 1.898 -6.963 -10.926 128 HE2 TYR 29 2HE TYR 29 1.035 -10.869 -12.401 129 HH TYR 29 HH TYR 29 0.415 -8.806 -9.937 130 H LYS 30 H LYS 30 4.844 -6.911 -17.213 131 HA LYS 30 HA LYS 30 7.710 -6.369 -16.910 132 2HB LYS 30 2HB LYS 30 7.200 -7.864 -18.885 133 2HG LYS 30 2HG LYS 30 5.818 -5.303 -19.807 134 2HD LYS 30 2HD LYS 30 7.487 -6.910 -21.374 135 2HE LYS 30 2HE LYS 30 4.704 -7.595 -22.301 136 1HZ LYS 30 1HZ LYS 30 6.367 -9.667 -22.723 137 2HZ LYS 30 2HZ LYS 30 6.159 -8.459 -23.795 138 H CYS 31 H CYS 31 8.284 -4.203 -16.956 139 HA CYS 31 HA CYS 31 6.111 -2.341 -17.551 140 2HB CYS 31 2HB CYS 31 7.627 -1.141 -15.528 141 H GLU 32 H GLU 32 7.028 -1.755 -19.569 142 HA GLU 32 HA GLU 32 9.829 -1.100 -19.606 143 2HB GLU 32 2HB GLU 32 8.848 -2.386 -21.479 144 2HG GLU 32 2HG GLU 32 7.494 -0.534 -23.035 145 HE2 GLU 32 HE GLU 32 6.712 -3.016 -23.687 146 H ILE 33 H ILE 33 10.642 1.013 -20.309 147 HA ILE 33 HA ILE 33 8.670 3.163 -20.140 148 HB ILE 33 HB ILE 33 11.177 2.905 -18.484 149 2HG1 ILE 33 2HG1 ILE 33 9.068 1.816 -17.665 150 1HG2 ILE 33 1HG2 ILE 33 10.660 5.201 -19.674 151 2HG2 ILE 33 2HG2 ILE 33 9.451 5.346 -18.377 152 3HG2 ILE 33 3HG2 ILE 33 11.171 5.137 -17.971 153 1HD1 ILE 33 1HD1 ILE 33 10.128 4.218 -16.107 154 2HD1 ILE 33 2HD1 ILE 33 9.149 2.907 -15.409 155 3HD1 ILE 33 3HD1 ILE 33 10.771 2.559 -16.054 156 H LEU 34 H LEU 34 8.932 3.071 -22.503 157 HA LEU 34 HA LEU 34 11.525 4.165 -23.341 158 2HB LEU 34 2HB LEU 34 9.565 2.318 -24.638 159 HG LEU 34 HG LEU 34 10.799 4.458 -26.077 160 1HD1 LEU 34 1HD1 LEU 34 12.523 2.223 -25.958 161 2HD1 LEU 34 2HD1 LEU 34 11.776 2.210 -27.573 162 3HD1 LEU 34 3HD1 LEU 34 12.645 3.656 -27.006 163 1HD2 LEU 34 1HD2 LEU 34 9.827 2.809 -27.992 164 2HD2 LEU 34 2HD2 LEU 34 8.965 2.189 -26.563 165 3HD2 LEU 34 3HD2 LEU 34 8.826 3.906 -27.012 166 H ALA 35 H ALA 35 11.557 5.999 -24.732 167 HA ALA 35 HA ALA 35 8.964 7.355 -24.976 168 1HB ALA 35 1HB ALA 35 9.760 8.726 -23.343 169 2HB ALA 35 2HB ALA 35 11.444 8.197 -23.581 170 3HB ALA 35 3HB ALA 35 10.735 9.421 -24.662 171 H THR 12 H THR 12 -10.065 0.267 -15.763 172 HA THR 12 HA THR 12 -12.716 -0.918 -16.256 173 HB THR 12 HB THR 12 -12.610 1.129 -17.549 174 HG1 THR 12 1HG THR 12 -11.675 -0.319 -19.668 175 1HG2 THR 12 1HG2 THR 12 -9.862 0.149 -18.490 176 2HG2 THR 12 2HG2 THR 12 -10.717 1.582 -19.109 177 3HG2 THR 12 3HG2 THR 12 -10.141 1.549 -17.426 178 H ALA 13 H ALA 13 -11.968 -2.962 -15.519 179 HA ALA 13 HA ALA 13 -9.995 -4.150 -17.350 180 1HB ALA 13 1HB ALA 13 -10.483 -5.526 -14.789 181 2HB ALA 13 2HB ALA 13 -8.947 -5.088 -15.577 182 3HB ALA 13 3HB ALA 13 -9.822 -3.885 -14.600 183 H LEU 14 H LEU 14 -10.485 -6.203 -18.242 184 HA LEU 14 HA LEU 14 -13.294 -6.983 -17.871 185 2HB LEU 14 2HB LEU 14 -11.547 -7.226 -20.325 186 HG LEU 14 HG LEU 14 -13.981 -8.593 -19.684 187 1HD1 LEU 14 1HD1 LEU 14 -14.521 -6.128 -20.954 188 2HD1 LEU 14 2HD1 LEU 14 -14.703 -7.395 -22.191 189 3HD1 LEU 14 3HD1 LEU 14 -15.630 -7.492 -20.675 190 1HD2 LEU 14 1HD2 LEU 14 -13.179 -9.968 -21.235 191 2HD2 LEU 14 2HD2 LEU 14 -13.193 -8.695 -22.479 192 3HD2 LEU 14 3HD2 LEU 14 -11.796 -8.857 -21.387 193 H ASN 15 H ASN 15 -13.379 -8.703 -16.522 194 HA ASN 15 HA ASN 15 -11.372 -10.764 -16.998 195 2HB ASN 15 2HB ASN 15 -12.355 -11.182 -14.391 196 1HD2 ASN 15 1HD2 ASN 15 -10.658 -11.915 -13.372 197 2HD2 ASN 15 2HD2 ASN 15 -9.003 -11.474 -13.632 198 H THR 16 H THR 16 -12.777 -11.989 -18.413 199 HA THR 16 HA THR 16 -15.167 -13.074 -17.077 200 HB THR 16 HB THR 16 -16.225 -13.055 -19.363 201 HG1 THR 16 1HG THR 16 -13.967 -11.342 -20.032 202 1HG2 THR 16 1HG2 THR 16 -16.977 -11.015 -18.611 203 2HG2 THR 16 2HG2 THR 16 -15.396 -10.607 -17.904 204 3HG2 THR 16 3HG2 THR 16 -15.695 -10.325 -19.636 205 HA DPR 17 HA DPR 17 -14.018 -16.922 -18.897 206 1HB DPR 17 2HB DPR 17 -15.199 -18.506 -17.009 207 2HB DPR 17 3HB DPR 17 -16.026 -17.959 -18.454 208 1HG DPR 17 2HG DPR 17 -16.333 -17.010 -15.670 209 2HG DPR 17 3HG DPR 17 -17.417 -16.794 -17.030 210 1HD DPR 17 2HD DPR 17 -15.638 -14.834 -15.925 211 2HD DPR 17 3HD DPR 17 -16.637 -14.656 -17.354 212 H ALA 18 H ALA 18 -11.836 -16.062 -18.403 213 HA ALA 18 HA ALA 18 -10.747 -16.473 -15.873 214 1HB ALA 18 1HB ALA 18 -11.107 -18.889 -17.440 215 2HB ALA 18 2HB ALA 18 -9.374 -18.570 -17.181 216 3HB ALA 18 3HB ALA 18 -10.473 -18.702 -15.787 217 H VAL 19 H VAL 19 -10.798 -14.535 -18.025 218 HA VAL 19 HA VAL 19 -7.958 -14.608 -18.781 219 HB VAL 19 HB VAL 19 -8.568 -13.350 -20.774 220 1HG1 VAL 19 1HG1 VAL 19 -8.443 -15.754 -20.990 221 2HG1 VAL 19 2HG1 VAL 19 -10.116 -15.935 -20.409 222 3HG1 VAL 19 3HG1 VAL 19 -9.798 -15.156 -21.977 223 1HG2 VAL 19 1HG2 VAL 19 -11.213 -13.266 -19.446 224 2HG2 VAL 19 2HG2 VAL 19 -10.451 -12.114 -20.569 225 3HG2 VAL 19 3HG2 VAL 19 -11.246 -13.577 -21.198 226 H GLN 20 H GLN 20 -6.721 -12.912 -18.097 227 HA GLN 20 HA GLN 20 -8.204 -10.642 -17.021 228 2HB GLN 20 2HB GLN 20 -5.606 -11.763 -15.887 229 2HG GLN 20 2HG GLN 20 -7.588 -9.971 -14.464 230 1HE2 GLN 20 1HE2 GLN 20 -6.952 -10.805 -12.538 231 2HE2 GLN 20 2HE2 GLN 20 -5.355 -10.661 -11.882 232 H LYS 21 H LYS 21 -7.905 -9.075 -18.576 233 HA LYS 21 HA LYS 21 -5.116 -8.542 -19.315 234 2HB LYS 21 2HB LYS 21 -6.134 -9.644 -21.205 235 2HG LYS 21 2HG LYS 21 -8.457 -8.021 -20.422 236 2HD LYS 21 2HD LYS 21 -8.165 -8.266 -23.406 237 2HE LYS 21 2HE LYS 21 -10.155 -7.347 -21.743 238 1HZ LYS 21 1HZ LYS 21 -9.824 -5.201 -21.219 239 2HZ LYS 21 2HZ LYS 21 -8.276 -5.315 -21.712 240 H TRP 22 H TRP 22 -4.716 -6.797 -18.005 241 HA TRP 22 HA TRP 22 -6.623 -4.573 -18.269 242 2HB TRP 22 2HB TRP 22 -5.472 -5.846 -15.883 243 HD1 TRP 22 HD TRP 22 -3.168 -4.282 -15.519 244 HE1 TRP 22 1HE TRP 22 -2.784 -1.937 -14.372 245 HE3 TRP 22 3HE TRP 22 -8.028 -2.801 -15.717 246 HZ2 TRP 22 2HZ TRP 22 -4.516 0.227 -13.692 247 HZ3 TRP 22 3HZ TRP 22 -8.597 -0.557 -14.790 248 HH2 TRP 22 HH TRP 22 -6.932 0.936 -13.803 249 H HIS 23 H HIS 23 -5.721 -2.838 -19.295 250 HA HIS 23 HA HIS 23 -2.793 -2.706 -19.283 251 2HB HIS 23 2HB HIS 23 -4.223 -3.142 -21.469 252 HD1 HIS 23 1HD HIS 23 -6.499 -1.933 -21.836 253 HD2 HIS 23 2HD HIS 23 -3.170 0.621 -21.870 254 HE1 HIS 23 1HE HIS 23 -7.321 0.302 -22.752 255 H PHE 24 H PHE 24 -1.907 -0.976 -18.264 256 HA PHE 24 HA PHE 24 -3.618 1.386 -17.961 257 2HB PHE 24 2HB PHE 24 -1.552 0.610 -15.885 258 HD1 PHE 24 1HD PHE 24 -5.127 1.498 -16.492 259 HD2 PHE 24 2HD PHE 24 -1.728 1.917 -13.988 260 HE1 PHE 24 1HE PHE 24 -6.369 3.167 -15.087 261 HE2 PHE 24 2HE PHE 24 -2.969 3.586 -12.583 262 HZ PHE 24 HZ PHE 24 -5.275 4.191 -13.149 263 H VAL 25 H VAL 25 -2.693 3.126 -18.924 264 HA VAL 25 HA VAL 25 0.244 3.234 -18.907 265 HB VAL 25 HB VAL 25 -1.723 3.838 -21.109 266 1HG1 VAL 25 1HG1 VAL 25 0.488 4.567 -22.328 267 2HG1 VAL 25 2HG1 VAL 25 -0.405 5.729 -21.317 268 3HG1 VAL 25 3HG1 VAL 25 1.046 4.922 -20.676 269 1HG2 VAL 25 1HG2 VAL 25 -0.658 2.176 -22.329 270 2HG2 VAL 25 2HG2 VAL 25 0.844 2.292 -21.380 271 3HG2 VAL 25 3HG2 VAL 25 -0.596 1.516 -20.677 272 H LEU 26 H LEU 26 0.371 4.560 -17.066 273 HA LEU 26 HA LEU 26 -1.007 7.139 -17.331 274 2HB LEU 26 2HB LEU 26 -0.282 7.110 -14.761 275 HG LEU 26 HG LEU 26 -2.712 5.613 -15.780 276 1HD1 LEU 26 1HD1 LEU 26 -2.811 7.011 -13.179 277 2HD1 LEU 26 2HD1 LEU 26 -3.501 5.448 -13.680 278 3HD1 LEU 26 3HD1 LEU 26 -1.781 5.560 -13.234 279 1HD2 LEU 26 1HD2 LEU 26 -3.897 7.765 -15.394 280 2HD2 LEU 26 2HD2 LEU 26 -2.320 8.541 -15.109 281 3HD2 LEU 26 3HD2 LEU 26 -2.690 7.835 -16.701 282 HA DPR 27 HA DPR 27 2.940 9.046 -16.531 283 1HB DPR 27 2HB DPR 27 2.298 11.512 -17.519 284 2HB DPR 27 3HB DPR 27 2.096 11.072 -15.835 285 1HG DPR 27 2HG DPR 27 0.036 11.364 -17.935 286 2HG DPR 27 3HG DPR 27 -0.165 11.348 -16.194 287 1HD DPR 27 2HD DPR 27 -0.749 9.205 -18.008 288 2HD DPR 27 3HD DPR 27 -0.839 9.151 -16.260 289 H GLY 28 H GLY 28 4.384 8.064 -17.825 290 1HA GLY 28 1HA GLY 28 3.956 8.371 -20.704 291 2HA GLY 28 2HA GLY 28 5.413 9.063 -20.019 292 H TYR 29 H TYR 29 3.674 6.043 -19.037 293 HA TYR 29 HA TYR 29 6.006 4.523 -19.975 294 2HB TYR 29 2HB TYR 29 5.817 3.266 -17.816 295 HD1 TYR 29 1HD TYR 29 7.504 5.588 -18.806 296 HD2 TYR 29 2HD TYR 29 5.006 5.162 -15.358 297 HE1 TYR 29 1HE TYR 29 8.904 7.313 -17.569 298 HE2 TYR 29 2HE TYR 29 6.414 6.888 -14.134 299 HH TYR 29 HH TYR 29 9.250 8.344 -15.706 300 H LYS 30 H LYS 30 5.565 2.255 -20.455 301 HA LYS 30 HA LYS 30 2.698 1.750 -20.855 302 2HB LYS 30 2HB LYS 30 4.016 0.309 -22.831 303 2HG LYS 30 2HG LYS 30 2.495 2.935 -22.759 304 2HD LYS 30 2HD LYS 30 2.344 2.372 -25.366 305 2HE LYS 30 2HE LYS 30 3.554 4.362 -23.922 306 1HZ LYS 30 1HZ LYS 30 5.795 4.085 -25.533 307 2HZ LYS 30 2HZ LYS 30 5.762 4.025 -23.906 308 H CYS 31 H CYS 31 2.193 0.327 -19.254 309 HA CYS 31 HA CYS 31 4.025 -1.943 -18.961 310 2HB CYS 31 2HB CYS 31 2.185 -0.991 -16.779 311 H GLU 32 H GLU 32 3.105 -3.939 -19.399 312 HA GLU 32 HA GLU 32 0.201 -4.051 -19.375 313 2HB GLU 32 2HB GLU 32 0.818 -5.739 -21.464 314 2HG GLU 32 2HG GLU 32 -0.425 -3.143 -21.087 315 HE2 GLU 32 HE GLU 32 -0.096 -2.043 -24.468 316 H ILE 33 H ILE 33 -0.375 -5.588 -17.905 317 HA ILE 33 HA ILE 33 1.479 -7.833 -17.545 318 HB ILE 33 HB ILE 33 -0.445 -6.447 -15.694 319 2HG1 ILE 33 2HG1 ILE 33 2.113 -5.857 -16.158 320 1HG2 ILE 33 1HG2 ILE 33 -0.825 -8.854 -15.458 321 2HG2 ILE 33 2HG2 ILE 33 0.920 -9.111 -15.218 322 3HG2 ILE 33 3HG2 ILE 33 -0.013 -8.176 -14.025 323 1HD1 ILE 33 1HD1 ILE 33 0.759 -4.622 -14.566 324 2HD1 ILE 33 2HD1 ILE 33 0.717 -6.008 -13.451 325 3HD1 ILE 33 3HD1 ILE 33 2.242 -5.133 -13.724 326 H LEU 34 H LEU 34 0.877 -9.545 -18.766 327 HA LEU 34 HA LEU 34 -2.003 -10.019 -19.044 328 2HB LEU 34 2HB LEU 34 -0.852 -9.649 -21.131 329 HG LEU 34 HG LEU 34 1.382 -10.802 -20.212 330 1HD1 LEU 34 1HD1 LEU 34 -0.268 -13.038 -20.654 331 2HD1 LEU 34 2HD1 LEU 34 0.911 -13.023 -21.987 332 3HD1 LEU 34 3HD1 LEU 34 1.476 -13.017 -20.299 333 1HD2 LEU 34 1HD2 LEU 34 1.545 -9.543 -22.151 334 2HD2 LEU 34 2HD2 LEU 34 1.960 -11.181 -22.713 335 3HD2 LEU 34 3HD2 LEU 34 0.335 -10.522 -23.016 336 H ALA 35 H ALA 35 -2.848 -12.147 -18.684 337 HA ALA 35 HA ALA 35 -1.044 -13.808 -17.057 338 1HB ALA 35 1HB ALA 35 -3.801 -12.777 -16.620 339 2HB ALA 35 2HB ALA 35 -3.542 -14.489 -16.204 340 3HB ALA 35 3HB ALA 35 -2.546 -13.227 -15.440 Start of MODEL 14 1 H THR 12 H THR 12 22.301 -2.732 -14.879 2 HA THR 12 HA THR 12 21.442 0.070 -14.787 3 HB THR 12 HB THR 12 23.622 0.427 -15.984 4 HG1 THR 12 1HG THR 12 24.540 -1.410 -16.829 5 1HG2 THR 12 1HG2 THR 12 23.425 -0.094 -13.334 6 2HG2 THR 12 2HG2 THR 12 24.355 -1.535 -13.813 7 3HG2 THR 12 3HG2 THR 12 25.008 0.091 -14.128 8 H ALA 13 H ALA 13 21.356 1.238 -16.928 9 HA ALA 13 HA ALA 13 19.931 -0.500 -18.814 10 1HB ALA 13 1HB ALA 13 19.583 2.285 -17.811 11 2HB ALA 13 2HB ALA 13 19.247 2.022 -19.539 12 3HB ALA 13 3HB ALA 13 18.364 1.087 -18.308 13 H LEU 14 H LEU 14 20.115 0.305 -21.179 14 HA LEU 14 HA LEU 14 22.949 0.890 -21.650 15 2HB LEU 14 2HB LEU 14 22.006 -0.020 -24.022 16 HG LEU 14 HG LEU 14 23.334 -1.383 -21.736 17 1HD1 LEU 14 1HD1 LEU 14 22.797 -3.500 -22.200 18 2HD1 LEU 14 2HD1 LEU 14 21.391 -2.823 -23.057 19 3HD1 LEU 14 3HD1 LEU 14 22.870 -3.233 -23.959 20 1HD2 LEU 14 1HD2 LEU 14 25.060 -0.793 -23.004 21 2HD2 LEU 14 2HD2 LEU 14 24.552 -2.044 -24.162 22 3HD2 LEU 14 3HD2 LEU 14 24.000 -0.365 -24.367 23 H ASN 15 H ASN 15 23.405 2.938 -22.228 24 HA ASN 15 HA ASN 15 21.264 4.609 -23.087 25 2HB ASN 15 2HB ASN 15 24.228 5.336 -23.047 26 1HD2 ASN 15 1HD2 ASN 15 23.760 7.459 -21.270 27 2HD2 ASN 15 2HD2 ASN 15 22.835 8.688 -22.068 28 H THR 16 H THR 16 20.697 4.750 -25.262 29 HA THR 16 HA THR 16 22.858 4.566 -27.240 30 HB THR 16 HB THR 16 20.276 2.951 -27.066 31 HG1 THR 16 1HG THR 16 21.989 1.677 -26.435 32 1HG2 THR 16 1HG2 THR 16 20.788 4.096 -29.423 33 2HG2 THR 16 2HG2 THR 16 22.114 2.910 -29.478 34 3HG2 THR 16 3HG2 THR 16 20.427 2.355 -29.348 35 HA DPR 17 HA DPR 17 20.494 7.458 -29.521 36 1HB DPR 17 2HB DPR 17 22.616 8.897 -30.468 37 2HB DPR 17 3HB DPR 17 21.970 7.488 -31.287 38 1HG DPR 17 2HG DPR 17 24.453 7.734 -29.701 39 2HG DPR 17 3HG DPR 17 24.008 6.496 -30.858 40 1HD DPR 17 2HD DPR 17 23.969 6.267 -27.999 41 2HD DPR 17 3HD DPR 17 23.416 5.071 -29.154 42 H ALA 18 H ALA 18 19.349 8.447 -27.893 43 HA ALA 18 HA ALA 18 20.904 10.452 -26.430 44 1HB ALA 18 1HB ALA 18 18.804 10.890 -28.439 45 2HB ALA 18 2HB ALA 18 18.435 11.655 -26.875 46 3HB ALA 18 3HB ALA 18 19.953 12.044 -27.720 47 H VAL 19 H VAL 19 17.403 9.541 -26.703 48 HA VAL 19 HA VAL 19 17.093 9.549 -23.900 49 HB VAL 19 HB VAL 19 15.371 10.005 -25.687 50 1HG1 VAL 19 1HG1 VAL 19 15.768 8.113 -27.152 51 2HG1 VAL 19 2HG1 VAL 19 15.352 6.973 -25.850 52 3HG1 VAL 19 3HG1 VAL 19 14.101 8.041 -26.530 53 1HG2 VAL 19 1HG2 VAL 19 14.840 9.690 -23.279 54 2HG2 VAL 19 2HG2 VAL 19 13.528 9.157 -24.357 55 3HG2 VAL 19 3HG2 VAL 19 14.591 7.955 -23.587 56 H GLN 20 H GLN 20 17.211 7.917 -22.388 57 HA GLN 20 HA GLN 20 18.258 5.417 -23.423 58 2HB GLN 20 2HB GLN 20 19.560 6.699 -21.685 59 2HG GLN 20 2HG GLN 20 17.102 6.007 -20.020 60 1HE2 GLN 20 1HE2 GLN 20 17.251 6.131 -17.817 61 2HE2 GLN 20 2HE2 GLN 20 18.743 6.044 -16.941 62 H LYS 21 H LYS 21 17.433 3.349 -22.589 63 HA LYS 21 HA LYS 21 14.806 3.550 -21.322 64 2HB LYS 21 2HB LYS 21 13.990 1.782 -22.923 65 2HG LYS 21 2HG LYS 21 14.409 4.653 -23.398 66 2HD LYS 21 2HD LYS 21 14.648 2.761 -25.685 67 2HE LYS 21 2HE LYS 21 12.903 5.245 -25.977 68 1HZ LYS 21 1HZ LYS 21 13.809 4.641 -28.037 69 2HZ LYS 21 2HZ LYS 21 13.748 3.040 -27.750 70 H TRP 22 H TRP 22 14.449 2.005 -19.761 71 HA TRP 22 HA TRP 22 16.534 -0.060 -19.538 72 2HB TRP 22 2HB TRP 22 16.452 1.946 -17.852 73 HD1 TRP 22 HD TRP 22 13.708 2.696 -17.479 74 HE1 TRP 22 1HE TRP 22 12.057 2.201 -15.481 75 HE3 TRP 22 3HE TRP 22 16.282 -1.288 -15.647 76 HZ2 TRP 22 2HZ TRP 22 12.014 0.243 -13.405 77 HZ3 TRP 22 3HZ TRP 22 15.367 -2.435 -13.632 78 HH2 TRP 22 HH TRP 22 13.310 -1.730 -12.517 79 H HIS 23 H HIS 23 15.714 -2.105 -19.707 80 HA HIS 23 HA HIS 23 12.825 -2.371 -19.556 81 2HB HIS 23 2HB HIS 23 14.382 -3.204 -21.484 82 HD1 HIS 23 1HD HIS 23 16.752 -4.156 -21.063 83 HD2 HIS 23 2HD HIS 23 13.664 -6.553 -19.540 84 HE1 HIS 23 1HE HIS 23 17.822 -6.385 -20.432 85 H PHE 24 H PHE 24 11.768 -3.542 -17.977 86 HA PHE 24 HA PHE 24 13.458 -5.043 -16.121 87 2HB PHE 24 2HB PHE 24 11.284 -2.940 -15.559 88 HD1 PHE 24 1HD PHE 24 9.854 -3.571 -13.862 89 HD2 PHE 24 2HD PHE 24 13.943 -4.678 -13.592 90 HE1 PHE 24 1HE PHE 24 9.444 -4.528 -11.578 91 HE2 PHE 24 2HE PHE 24 13.532 -5.635 -11.308 92 HZ PHE 24 HZ PHE 24 11.288 -5.549 -10.329 93 H VAL 25 H VAL 25 12.722 -7.067 -16.826 94 HA VAL 25 HA VAL 25 9.814 -7.456 -16.664 95 HB VAL 25 HB VAL 25 11.883 -9.103 -18.130 96 1HG1 VAL 25 1HG1 VAL 25 10.219 -10.492 -18.807 97 2HG1 VAL 25 2HG1 VAL 25 9.453 -9.939 -17.298 98 3HG1 VAL 25 3HG1 VAL 25 9.000 -9.194 -18.850 99 1HG2 VAL 25 1HG2 VAL 25 9.951 -7.626 -19.763 100 2HG2 VAL 25 2HG2 VAL 25 11.028 -6.560 -18.827 101 3HG2 VAL 25 3HG2 VAL 25 11.718 -7.775 -19.931 102 H LEU 26 H LEU 26 8.987 -9.039 -15.298 103 HA LEU 26 HA LEU 26 10.914 -10.721 -13.905 104 2HB LEU 26 2HB LEU 26 9.257 -9.975 -11.858 105 HG LEU 26 HG LEU 26 11.803 -8.457 -12.451 106 1HD1 LEU 26 1HD1 LEU 26 10.019 -8.741 -10.152 107 2HD1 LEU 26 2HD1 LEU 26 11.722 -9.083 -9.766 108 3HD1 LEU 26 3HD1 LEU 26 11.272 -7.524 -10.496 109 1HD2 LEU 26 1HD2 LEU 26 12.713 -10.518 -12.715 110 2HD2 LEU 26 2HD2 LEU 26 12.714 -10.466 -10.936 111 3HD2 LEU 26 3HD2 LEU 26 11.424 -11.334 -11.801 112 HA DPR 27 HA DPR 27 7.727 -13.605 -14.271 113 1HB DPR 27 2HB DPR 27 8.366 -14.886 -16.600 114 2HB DPR 27 3HB DPR 27 9.163 -15.216 -15.075 115 1HG DPR 27 2HG DPR 27 10.169 -13.696 -17.402 116 2HG DPR 27 3HG DPR 27 11.073 -14.392 -16.072 117 1HD DPR 27 2HD DPR 27 10.411 -11.625 -16.436 118 2HD DPR 27 3HD DPR 27 11.213 -12.337 -15.050 119 H GLY 28 H GLY 28 5.630 -13.196 -14.495 120 1HA GLY 28 1HA GLY 28 4.522 -12.938 -17.084 121 2HA GLY 28 2HA GLY 28 3.710 -12.679 -15.553 122 H TYR 29 H TYR 29 5.910 -10.639 -14.777 123 HA TYR 29 HA TYR 29 4.528 -8.371 -15.839 124 2HB TYR 29 2HB TYR 29 6.575 -7.335 -14.444 125 HD1 TYR 29 1HD TYR 29 4.646 -6.141 -13.559 126 HD2 TYR 29 2HD TYR 29 5.329 -10.243 -12.556 127 HE1 TYR 29 1HE TYR 29 2.947 -5.970 -11.675 128 HE2 TYR 29 2HE TYR 29 3.628 -10.059 -10.675 129 HH TYR 29 HH TYR 29 1.933 -6.991 -10.073 130 H LYS 30 H LYS 30 4.918 -7.599 -17.856 131 HA LYS 30 HA LYS 30 7.722 -7.325 -18.628 132 2HB LYS 30 2HB LYS 30 5.549 -8.604 -20.309 133 2HG LYS 30 2HG LYS 30 8.375 -8.284 -21.273 134 2HD LYS 30 2HD LYS 30 5.774 -9.026 -22.321 135 2HE LYS 30 2HE LYS 30 7.172 -6.678 -23.684 136 1HZ LYS 30 1HZ LYS 30 5.462 -8.786 -24.736 137 2HZ LYS 30 2HZ LYS 30 5.065 -7.275 -25.198 138 H CYS 31 H CYS 31 7.883 -5.128 -18.469 139 HA CYS 31 HA CYS 31 6.303 -3.618 -20.326 140 2HB CYS 31 2HB CYS 31 5.526 -3.713 -17.572 141 H GLU 32 H GLU 32 7.162 -1.237 -20.286 142 HA GLU 32 HA GLU 32 9.772 -1.035 -19.091 143 2HB GLU 32 2HB GLU 32 10.591 -0.166 -21.457 144 2HG GLU 32 2HG GLU 32 10.781 -2.645 -20.061 145 HE2 GLU 32 HE GLU 32 8.553 -3.057 -21.786 146 H ILE 33 H ILE 33 10.688 1.271 -19.458 147 HA ILE 33 HA ILE 33 8.526 3.181 -19.941 148 HB ILE 33 HB ILE 33 10.209 2.936 -17.460 149 2HG1 ILE 33 2HG1 ILE 33 7.943 1.791 -17.699 150 1HG2 ILE 33 1HG2 ILE 33 10.505 5.160 -17.578 151 2HG2 ILE 33 2HG2 ILE 33 9.207 5.382 -18.774 152 3HG2 ILE 33 3HG2 ILE 33 8.808 5.224 -17.047 153 1HD1 ILE 33 1HD1 ILE 33 8.949 2.257 -15.491 154 2HD1 ILE 33 2HD1 ILE 33 8.322 3.922 -15.544 155 3HD1 ILE 33 3HD1 ILE 33 7.194 2.549 -15.442 156 H LEU 34 H LEU 34 9.210 5.165 -20.832 157 HA LEU 34 HA LEU 34 12.051 5.183 -21.581 158 2HB LEU 34 2HB LEU 34 10.531 4.707 -23.448 159 HG LEU 34 HG LEU 34 8.786 6.568 -22.446 160 1HD1 LEU 34 1HD1 LEU 34 10.368 7.894 -24.661 161 2HD1 LEU 34 2HD1 LEU 34 8.736 8.401 -24.159 162 3HD1 LEU 34 3HD1 LEU 34 10.089 8.486 -23.005 163 1HD2 LEU 34 1HD2 LEU 34 8.214 6.408 -25.196 164 2HD2 LEU 34 2HD2 LEU 34 9.043 4.891 -24.777 165 3HD2 LEU 34 3HD2 LEU 34 7.583 5.384 -23.884 166 H ALA 35 H ALA 35 13.246 6.929 -20.978 167 HA ALA 35 HA ALA 35 11.730 9.194 -19.871 168 1HB ALA 35 1HB ALA 35 14.470 8.953 -18.913 169 2HB ALA 35 2HB ALA 35 12.950 9.019 -17.988 170 3HB ALA 35 3HB ALA 35 13.551 7.460 -18.603 171 H THR 12 H THR 12 -10.291 0.182 -20.131 172 HA THR 12 HA THR 12 -12.756 -1.381 -19.714 173 HB THR 12 HB THR 12 -10.739 -1.313 -22.010 174 HG1 THR 12 1HG THR 12 -12.756 -0.752 -23.083 175 1HG2 THR 12 1HG2 THR 12 -12.551 -3.020 -22.942 176 2HG2 THR 12 2HG2 THR 12 -11.209 -3.636 -21.948 177 3HG2 THR 12 3HG2 THR 12 -12.814 -3.385 -21.219 178 H ALA 13 H ALA 13 -12.632 -3.229 -18.569 179 HA ALA 13 HA ALA 13 -9.917 -4.180 -17.964 180 1HB ALA 13 1HB ALA 13 -12.184 -3.407 -16.201 181 2HB ALA 13 2HB ALA 13 -11.363 -4.928 -15.779 182 3HB ALA 13 3HB ALA 13 -10.434 -3.414 -15.879 183 H LEU 14 H LEU 14 -9.561 -6.257 -18.574 184 HA LEU 14 HA LEU 14 -11.952 -7.893 -19.068 185 2HB LEU 14 2HB LEU 14 -9.748 -8.954 -20.461 186 HG LEU 14 HG LEU 14 -10.921 -8.332 -22.499 187 1HD1 LEU 14 1HD1 LEU 14 -12.554 -9.456 -20.235 188 2HD1 LEU 14 2HD1 LEU 14 -13.231 -9.295 -21.873 189 3HD1 LEU 14 3HD1 LEU 14 -11.785 -10.297 -21.602 190 1HD2 LEU 14 1HD2 LEU 14 -12.751 -6.871 -22.627 191 2HD2 LEU 14 2HD2 LEU 14 -12.967 -6.839 -20.860 192 3HD2 LEU 14 3HD2 LEU 14 -11.568 -6.026 -21.600 193 H ASN 15 H ASN 15 -12.188 -9.716 -17.873 194 HA ASN 15 HA ASN 15 -9.856 -10.475 -16.300 195 2HB ASN 15 2HB ASN 15 -11.538 -11.483 -14.704 196 1HD2 ASN 15 1HD2 ASN 15 -13.129 -10.063 -13.366 197 2HD2 ASN 15 2HD2 ASN 15 -12.643 -8.419 -13.120 198 H THR 16 H THR 16 -9.115 -12.624 -16.538 199 HA THR 16 HA THR 16 -10.878 -14.499 -17.952 200 HB THR 16 HB THR 16 -9.353 -13.543 -19.635 201 HG1 THR 16 1HG THR 16 -8.105 -15.656 -19.926 202 1HG2 THR 16 1HG2 THR 16 -6.969 -14.645 -18.131 203 2HG2 THR 16 2HG2 THR 16 -7.021 -13.376 -19.378 204 3HG2 THR 16 3HG2 THR 16 -7.546 -13.013 -17.717 205 HA DPR 17 HA DPR 17 -9.669 -17.110 -14.758 206 1HB DPR 17 2HB DPR 17 -11.076 -16.341 -12.545 207 2HB DPR 17 3HB DPR 17 -11.783 -17.260 -13.858 208 1HG DPR 17 2HG DPR 17 -12.121 -14.396 -13.209 209 2HG DPR 17 3HG DPR 17 -13.120 -15.417 -14.225 210 1HD DPR 17 2HD DPR 17 -11.213 -13.461 -15.102 211 2HD DPR 17 3HD DPR 17 -12.127 -14.563 -16.115 212 H ALA 18 H ALA 18 -8.099 -17.635 -13.274 213 HA ALA 18 HA ALA 18 -7.201 -16.070 -11.272 214 1HB ALA 18 1HB ALA 18 -5.990 -17.966 -11.157 215 2HB ALA 18 2HB ALA 18 -6.203 -18.285 -12.895 216 3HB ALA 18 3HB ALA 18 -4.881 -17.231 -12.339 217 H VAL 19 H VAL 19 -5.392 -16.235 -14.418 218 HA VAL 19 HA VAL 19 -4.120 -13.764 -13.904 219 HB VAL 19 HB VAL 19 -3.202 -14.048 -16.126 220 1HG1 VAL 19 1HG1 VAL 19 -3.316 -16.827 -14.953 221 2HG1 VAL 19 2HG1 VAL 19 -1.949 -15.985 -15.721 222 3HG1 VAL 19 3HG1 VAL 19 -2.498 -15.496 -14.101 223 1HG2 VAL 19 1HG2 VAL 19 -4.538 -14.869 -17.725 224 2HG2 VAL 19 2HG2 VAL 19 -4.147 -16.483 -17.081 225 3HG2 VAL 19 3HG2 VAL 19 -5.619 -15.639 -16.538 226 H GLN 20 H GLN 20 -4.403 -11.723 -14.974 227 HA GLN 20 HA GLN 20 -7.015 -11.475 -16.245 228 2HB GLN 20 2HB GLN 20 -7.408 -9.375 -15.083 229 2HG GLN 20 2HG GLN 20 -6.868 -11.869 -13.609 230 1HE2 GLN 20 1HE2 GLN 20 -6.520 -12.159 -11.474 231 2HE2 GLN 20 2HE2 GLN 20 -5.950 -10.938 -10.386 232 H LYS 21 H LYS 21 -7.175 -9.816 -17.902 233 HA LYS 21 HA LYS 21 -4.531 -8.992 -18.878 234 2HB LYS 21 2HB LYS 21 -6.971 -9.269 -20.622 235 2HG LYS 21 2HG LYS 21 -4.743 -10.114 -22.002 236 2HD LYS 21 2HD LYS 21 -5.795 -7.268 -21.658 237 2HE LYS 21 2HE LYS 21 -3.975 -8.487 -23.787 238 1HZ LYS 21 1HZ LYS 21 -5.958 -6.713 -24.271 239 2HZ LYS 21 2HZ LYS 21 -4.716 -5.702 -23.967 240 H TRP 22 H TRP 22 -4.737 -7.164 -17.312 241 HA TRP 22 HA TRP 22 -6.578 -5.123 -18.358 242 2HB TRP 22 2HB TRP 22 -6.043 -6.048 -15.676 243 HD1 TRP 22 HD TRP 22 -3.536 -4.596 -15.321 244 HE1 TRP 22 1HE TRP 22 -3.120 -2.247 -14.195 245 HE3 TRP 22 3HE TRP 22 -8.308 -2.916 -15.838 246 HZ2 TRP 22 2HZ TRP 22 -4.795 0.000 -13.658 247 HZ3 TRP 22 3HZ TRP 22 -8.833 -0.634 -14.986 248 HH2 TRP 22 HH TRP 22 -7.170 0.809 -13.927 249 H HIS 23 H HIS 23 -5.620 -3.354 -19.300 250 HA HIS 23 HA HIS 23 -2.713 -3.221 -19.090 251 2HB HIS 23 2HB HIS 23 -4.641 -2.073 -21.128 252 HD1 HIS 23 1HD HIS 23 -0.997 -3.017 -21.579 253 HD2 HIS 23 2HD HIS 23 -3.414 0.411 -21.526 254 HE1 HIS 23 1HE HIS 23 0.461 -1.101 -22.422 255 H PHE 24 H PHE 24 -1.742 -0.966 -19.041 256 HA PHE 24 HA PHE 24 -3.466 1.061 -17.928 257 2HB PHE 24 2HB PHE 24 -1.020 -0.087 -16.454 258 HD1 PHE 24 1HD PHE 24 -0.263 1.047 -14.565 259 HD2 PHE 24 2HD PHE 24 -4.001 2.132 -16.254 260 HE1 PHE 24 1HE PHE 24 -0.393 3.018 -13.015 261 HE2 PHE 24 2HE PHE 24 -4.131 4.101 -14.704 262 HZ PHE 24 HZ PHE 24 -2.325 4.521 -13.102 263 H VAL 25 H VAL 25 -2.868 2.943 -18.884 264 HA VAL 25 HA VAL 25 -0.010 3.305 -19.434 265 HB VAL 25 HB VAL 25 -1.307 2.592 -21.456 266 1HG1 VAL 25 1HG1 VAL 25 -2.987 3.884 -22.412 267 2HG1 VAL 25 2HG1 VAL 25 -3.356 4.012 -20.675 268 3HG1 VAL 25 3HG1 VAL 25 -2.523 5.346 -21.508 269 1HG2 VAL 25 1HG2 VAL 25 0.803 4.101 -21.376 270 2HG2 VAL 25 2HG2 VAL 25 -0.121 3.999 -22.893 271 3HG2 VAL 25 3HG2 VAL 25 -0.310 5.413 -21.830 272 H LEU 26 H LEU 26 0.792 5.253 -18.761 273 HA LEU 26 HA LEU 26 -1.162 7.350 -18.173 274 2HB LEU 26 2HB LEU 26 0.365 7.787 -16.110 275 HG LEU 26 HG LEU 26 -1.523 5.417 -16.030 276 1HD1 LEU 26 1HD1 LEU 26 -0.512 5.291 -13.985 277 2HD1 LEU 26 2HD1 LEU 26 -0.136 7.030 -13.933 278 3HD1 LEU 26 3HD1 LEU 26 -1.795 6.469 -13.616 279 1HD2 LEU 26 1HD2 LEU 26 -2.006 8.370 -16.083 280 2HD2 LEU 26 2HD2 LEU 26 -2.913 7.047 -16.852 281 3HD2 LEU 26 3HD2 LEU 26 -3.069 7.333 -15.102 282 HA DPR 27 HA DPR 27 1.816 9.981 -19.870 283 1HB DPR 27 2HB DPR 27 0.687 10.492 -22.306 284 2HB DPR 27 3HB DPR 27 0.194 11.301 -20.833 285 1HG DPR 27 2HG DPR 27 -1.196 9.163 -22.327 286 2HG DPR 27 3HG DPR 27 -1.844 10.263 -21.127 287 1HD DPR 27 2HD DPR 27 -1.171 7.503 -20.738 288 2HD DPR 27 3HD DPR 27 -1.708 8.632 -19.512 289 H GLY 28 H GLY 28 3.834 9.360 -20.284 290 1HA GLY 28 1HA GLY 28 4.267 8.050 -22.844 291 2HA GLY 28 2HA GLY 28 5.474 8.701 -21.754 292 H TYR 29 H TYR 29 3.915 7.223 -19.449 293 HA TYR 29 HA TYR 29 5.545 4.877 -19.561 294 2HB TYR 29 2HB TYR 29 4.075 4.545 -17.361 295 HD1 TYR 29 1HD TYR 29 5.646 4.608 -15.666 296 HD2 TYR 29 2HD TYR 29 5.507 7.848 -18.456 297 HE1 TYR 29 1HE TYR 29 7.592 5.728 -14.474 298 HE2 TYR 29 2HE TYR 29 7.454 8.957 -17.254 299 HH TYR 29 HH TYR 29 8.561 7.827 -14.195 300 H LYS 30 H LYS 30 5.012 2.883 -20.308 301 HA LYS 30 HA LYS 30 2.151 2.284 -20.548 302 2HB LYS 30 2HB LYS 30 4.103 1.343 -22.630 303 2HG LYS 30 2HG LYS 30 1.124 1.672 -22.290 304 2HD LYS 30 2HD LYS 30 2.486 2.707 -24.571 305 2HE LYS 30 2HE LYS 30 1.232 -0.034 -25.023 306 1HZ LYS 30 1HZ LYS 30 0.269 1.536 -26.606 307 2HZ LYS 30 2HZ LYS 30 1.736 2.108 -27.021 308 H CYS 31 H CYS 31 2.073 0.999 -18.700 309 HA CYS 31 HA CYS 31 3.943 -1.254 -18.702 310 2HB CYS 31 2HB CYS 31 2.456 -0.899 -16.237 311 H GLU 32 H GLU 32 3.034 -3.393 -18.368 312 HA GLU 32 HA GLU 32 0.162 -3.554 -18.279 313 2HB GLU 32 2HB GLU 32 1.741 -4.849 -20.545 314 2HG GLU 32 2HG GLU 32 -1.273 -4.615 -20.133 315 HE2 GLU 32 HE GLU 32 -2.264 -6.150 -21.507 316 H ILE 33 H ILE 33 -0.596 -5.601 -17.482 317 HA ILE 33 HA ILE 33 1.566 -7.400 -16.633 318 HB ILE 33 HB ILE 33 -0.923 -6.921 -15.024 319 2HG1 ILE 33 2HG1 ILE 33 0.138 -5.231 -13.734 320 1HG2 ILE 33 1HG2 ILE 33 1.698 -8.306 -14.641 321 2HG2 ILE 33 2HG2 ILE 33 0.901 -7.573 -13.228 322 3HG2 ILE 33 3HG2 ILE 33 0.053 -8.811 -14.185 323 1HD1 ILE 33 1HD1 ILE 33 2.481 -6.238 -13.960 324 2HD1 ILE 33 2HD1 ILE 33 2.576 -5.442 -15.549 325 3HD1 ILE 33 3HD1 ILE 33 2.399 -4.463 -14.073 326 H LEU 34 H LEU 34 1.289 -8.785 -18.430 327 HA LEU 34 HA LEU 34 -1.346 -10.082 -18.519 328 2HB LEU 34 2HB LEU 34 -0.766 -8.810 -20.537 329 HG LEU 34 HG LEU 34 1.693 -10.479 -20.480 330 1HD1 LEU 34 1HD1 LEU 34 1.866 -10.507 -22.944 331 2HD1 LEU 34 2HD1 LEU 34 0.546 -11.532 -22.332 332 3HD1 LEU 34 3HD1 LEU 34 0.179 -9.946 -23.051 333 1HD2 LEU 34 1HD2 LEU 34 1.119 -7.776 -20.505 334 2HD2 LEU 34 2HD2 LEU 34 2.702 -8.522 -20.834 335 3HD2 LEU 34 3HD2 LEU 34 1.617 -8.105 -22.182 336 H ALA 35 H ALA 35 -1.460 -12.248 -18.101 337 HA ALA 35 HA ALA 35 1.051 -13.745 -18.115 338 1HB ALA 35 1HB ALA 35 0.181 -14.777 -15.895 339 2HB ALA 35 2HB ALA 35 0.952 -13.173 -15.830 340 3HB ALA 35 3HB ALA 35 -0.822 -13.311 -15.776 Start of MODEL 15 1 H THR 12 H THR 12 20.944 -3.928 -15.787 2 HA THR 12 HA THR 12 19.281 -4.785 -17.939 3 HB THR 12 HB THR 12 17.127 -4.485 -16.615 4 HG1 THR 12 1HG THR 12 18.399 -3.310 -14.882 5 1HG2 THR 12 1HG2 THR 12 18.567 -6.794 -16.837 6 2HG2 THR 12 2HG2 THR 12 18.628 -6.582 -15.071 7 3HG2 THR 12 3HG2 THR 12 17.057 -6.699 -15.900 8 H ALA 13 H ALA 13 20.366 -3.004 -18.914 9 HA ALA 13 HA ALA 13 18.925 -0.644 -18.827 10 1HB ALA 13 1HB ALA 13 21.047 0.693 -17.856 11 2HB ALA 13 2HB ALA 13 19.719 0.131 -16.813 12 3HB ALA 13 3HB ALA 13 21.227 -0.809 -16.919 13 H LEU 14 H LEU 14 19.195 0.132 -20.858 14 HA LEU 14 HA LEU 14 21.829 -0.293 -22.086 15 2HB LEU 14 2HB LEU 14 20.482 -1.890 -23.113 16 HG LEU 14 HG LEU 14 18.288 0.114 -22.960 17 1HD1 LEU 14 1HD1 LEU 14 17.888 0.092 -25.160 18 2HD1 LEU 14 2HD1 LEU 14 18.977 -1.288 -25.443 19 3HD1 LEU 14 3HD1 LEU 14 17.308 -1.570 -24.893 20 1HD2 LEU 14 1HD2 LEU 14 17.985 -1.625 -21.470 21 2HD2 LEU 14 2HD2 LEU 14 17.011 -2.155 -22.861 22 3HD2 LEU 14 3HD2 LEU 14 18.629 -2.846 -22.592 23 H ASN 15 H ASN 15 22.812 1.626 -22.384 24 HA ASN 15 HA ASN 15 21.093 3.941 -22.642 25 2HB ASN 15 2HB ASN 15 23.221 5.231 -22.220 26 1HD2 ASN 15 1HD2 ASN 15 24.254 5.368 -20.072 27 2HD2 ASN 15 2HD2 ASN 15 23.421 4.721 -18.698 28 H THR 16 H THR 16 20.542 3.437 -24.941 29 HA THR 16 HA THR 16 22.817 3.818 -26.775 30 HB THR 16 HB THR 16 21.234 1.637 -26.658 31 HG1 THR 16 1HG THR 16 22.276 1.424 -28.614 32 1HG2 THR 16 1HG2 THR 16 19.376 1.753 -28.192 33 2HG2 THR 16 2HG2 THR 16 19.150 3.135 -27.094 34 3HG2 THR 16 3HG2 THR 16 19.825 3.392 -28.721 35 HA DPR 17 HA DPR 17 20.723 7.093 -28.726 36 1HB DPR 17 2HB DPR 17 22.885 8.745 -28.984 37 2HB DPR 17 3HB DPR 17 22.481 7.504 -30.154 38 1HG DPR 17 2HG DPR 17 24.626 7.506 -28.120 39 2HG DPR 17 3HG DPR 17 24.468 6.503 -29.547 40 1HD DPR 17 2HD DPR 17 23.943 5.725 -26.838 41 2HD DPR 17 3HD DPR 17 23.675 4.760 -28.275 42 H ALA 18 H ALA 18 20.461 9.537 -28.420 43 HA ALA 18 HA ALA 18 21.242 10.737 -26.080 44 1HB ALA 18 1HB ALA 18 20.275 12.283 -27.436 45 2HB ALA 18 2HB ALA 18 19.147 11.101 -28.144 46 3HB ALA 18 3HB ALA 18 18.782 11.849 -26.571 47 H VAL 19 H VAL 19 17.865 9.521 -26.637 48 HA VAL 19 HA VAL 19 17.334 9.408 -23.877 49 HB VAL 19 HB VAL 19 15.305 8.166 -24.638 50 1HG1 VAL 19 1HG1 VAL 19 15.648 10.572 -26.409 51 2HG1 VAL 19 2HG1 VAL 19 14.254 10.081 -25.417 52 3HG1 VAL 19 3HG1 VAL 19 15.708 10.755 -24.640 53 1HG2 VAL 19 1HG2 VAL 19 16.578 7.147 -26.644 54 2HG2 VAL 19 2HG2 VAL 19 14.889 7.655 -26.886 55 3HG2 VAL 19 3HG2 VAL 19 16.221 8.683 -27.468 56 H GLN 20 H GLN 20 16.597 7.306 -22.763 57 HA GLN 20 HA GLN 20 18.302 5.110 -23.618 58 2HB GLN 20 2HB GLN 20 19.542 6.181 -21.834 59 2HG GLN 20 2HG GLN 20 17.092 7.062 -20.899 60 1HE2 GLN 20 1HE2 GLN 20 16.920 7.155 -18.260 61 2HE2 GLN 20 2HE2 GLN 20 16.487 5.630 -17.561 62 H LYS 21 H LYS 21 17.647 2.987 -22.460 63 HA LYS 21 HA LYS 21 14.734 3.024 -22.072 64 2HB LYS 21 2HB LYS 21 16.380 0.747 -23.205 65 2HG LYS 21 2HG LYS 21 13.408 1.339 -22.901 66 2HD LYS 21 2HD LYS 21 14.661 0.165 -25.178 67 2HE LYS 21 2HE LYS 21 13.522 -1.853 -23.215 68 1HZ LYS 21 1HZ LYS 21 13.561 -3.268 -25.393 69 2HZ LYS 21 2HZ LYS 21 12.230 -2.393 -25.048 70 H TRP 22 H TRP 22 13.873 1.868 -20.324 71 HA TRP 22 HA TRP 22 15.883 0.705 -18.520 72 2HB TRP 22 2HB TRP 22 14.003 2.904 -18.060 73 HD1 TRP 22 HD TRP 22 11.690 1.802 -17.095 74 HE1 TRP 22 1HE TRP 22 10.982 0.731 -14.790 75 HE3 TRP 22 3HE TRP 22 16.422 1.071 -15.382 76 HZ2 TRP 22 2HZ TRP 22 12.447 -0.279 -12.558 77 HZ3 TRP 22 3HZ TRP 22 16.695 0.037 -13.131 78 HH2 TRP 22 HH TRP 22 14.804 -0.630 -11.733 79 H HIS 23 H HIS 23 15.487 -1.462 -18.414 80 HA HIS 23 HA HIS 23 12.800 -2.374 -19.012 81 2HB HIS 23 2HB HIS 23 14.828 -4.405 -18.423 82 HD1 HIS 23 1HD HIS 23 12.830 -2.834 -21.308 83 HD2 HIS 23 2HD HIS 23 13.823 -6.584 -19.714 84 HE1 HIS 23 1HE HIS 23 11.589 -4.561 -22.719 85 H PHE 24 H PHE 24 11.632 -3.833 -17.595 86 HA PHE 24 HA PHE 24 12.633 -4.370 -14.994 87 2HB PHE 24 2HB PHE 24 10.625 -2.136 -15.580 88 HD1 PHE 24 1HD PHE 24 8.549 -2.484 -14.591 89 HD2 PHE 24 2HD PHE 24 12.053 -3.475 -12.413 90 HE1 PHE 24 1HE PHE 24 7.155 -2.932 -12.553 91 HE2 PHE 24 2HE PHE 24 10.660 -3.923 -10.374 92 HZ PHE 24 HZ PHE 24 8.228 -3.646 -10.468 93 H VAL 25 H VAL 25 12.016 -6.451 -16.137 94 HA VAL 25 HA VAL 25 9.116 -6.885 -15.939 95 HB VAL 25 HB VAL 25 9.424 -8.678 -17.542 96 1HG1 VAL 25 1HG1 VAL 25 10.879 -6.530 -18.967 97 2HG1 VAL 25 2HG1 VAL 25 9.313 -7.295 -19.328 98 3HG1 VAL 25 3HG1 VAL 25 9.414 -6.012 -18.099 99 1HG2 VAL 25 1HG2 VAL 25 11.412 -9.676 -17.719 100 2HG2 VAL 25 2HG2 VAL 25 11.980 -8.254 -18.626 101 3HG2 VAL 25 3HG2 VAL 25 12.224 -8.341 -16.866 102 H LEU 26 H LEU 26 8.770 -7.603 -13.871 103 HA LEU 26 HA LEU 26 10.462 -9.850 -13.023 104 2HB LEU 26 2HB LEU 26 11.049 -8.002 -11.672 105 HG LEU 26 HG LEU 26 8.897 -6.656 -12.052 106 1HD1 LEU 26 1HD1 LEU 26 7.813 -8.828 -10.551 107 2HD1 LEU 26 2HD1 LEU 26 7.641 -7.338 -9.592 108 3HD1 LEU 26 3HD1 LEU 26 6.979 -7.415 -11.243 109 1HD2 LEU 26 1HD2 LEU 26 10.750 -5.915 -10.628 110 2HD2 LEU 26 2HD2 LEU 26 9.172 -5.431 -9.962 111 3HD2 LEU 26 3HD2 LEU 26 10.052 -6.807 -9.254 112 HA DPR 27 HA DPR 27 6.610 -11.603 -11.588 113 1HB DPR 27 2HB DPR 27 7.494 -14.182 -11.384 114 2HB DPR 27 3HB DPR 27 7.531 -13.046 -10.049 115 1HG DPR 27 2HG DPR 27 9.767 -14.010 -11.726 116 2HG DPR 27 3HG DPR 27 9.828 -13.233 -10.157 117 1HD DPR 27 2HD DPR 27 10.407 -12.027 -12.694 118 2HD DPR 27 3HD DPR 27 10.355 -11.222 -11.138 119 H GLY 28 H GLY 28 5.561 -11.050 -13.514 120 1HA GLY 28 1HA GLY 28 6.113 -12.715 -15.819 121 2HA GLY 28 2HA GLY 28 4.585 -13.045 -15.027 122 H TYR 29 H TYR 29 6.125 -9.810 -15.064 123 HA TYR 29 HA TYR 29 3.914 -8.908 -16.783 124 2HB TYR 29 2HB TYR 29 4.653 -6.679 -15.503 125 HD1 TYR 29 1HD TYR 29 2.674 -5.912 -14.588 126 HD2 TYR 29 2HD TYR 29 3.859 -9.949 -13.818 127 HE1 TYR 29 1HE TYR 29 0.559 -6.281 -13.227 128 HE2 TYR 29 2HE TYR 29 1.741 -10.305 -12.459 129 HH TYR 29 HH TYR 29 0.083 -9.233 -11.401 130 H LYS 30 H LYS 30 4.434 -6.888 -18.076 131 HA LYS 30 HA LYS 30 7.271 -6.791 -18.792 132 2HB LYS 30 2HB LYS 30 5.954 -6.422 -21.202 133 2HG LYS 30 2HG LYS 30 7.294 -8.864 -19.958 134 2HD LYS 30 2HD LYS 30 6.720 -8.351 -22.911 135 2HE LYS 30 2HE LYS 30 7.266 -11.075 -22.398 136 1HZ LYS 30 1HZ LYS 30 9.316 -9.156 -23.311 137 2HZ LYS 30 2HZ LYS 30 9.038 -10.667 -23.853 138 H CYS 31 H CYS 31 7.940 -4.770 -18.332 139 HA CYS 31 HA CYS 31 6.095 -2.608 -19.033 140 2HB CYS 31 2HB CYS 31 6.761 -1.355 -17.086 141 H GLU 32 H GLU 32 7.042 -1.185 -20.465 142 HA GLU 32 HA GLU 32 9.934 -0.977 -20.386 143 2HB GLU 32 2HB GLU 32 8.279 -1.532 -22.886 144 2HG GLU 32 2HG GLU 32 11.189 -1.526 -23.201 145 HE2 GLU 32 HE GLU 32 8.860 0.894 -23.872 146 H ILE 33 H ILE 33 10.427 1.150 -20.103 147 HA ILE 33 HA ILE 33 8.503 3.100 -21.157 148 HB ILE 33 HB ILE 33 8.791 2.999 -18.698 149 2HG1 ILE 33 2HG1 ILE 33 7.980 5.027 -19.726 150 1HG2 ILE 33 1HG2 ILE 33 11.521 4.215 -19.048 151 2HG2 ILE 33 2HG2 ILE 33 10.775 3.499 -17.599 152 3HG2 ILE 33 3HG2 ILE 33 11.309 2.450 -18.935 153 1HD1 ILE 33 1HD1 ILE 33 8.898 4.950 -17.241 154 2HD1 ILE 33 2HD1 ILE 33 10.159 6.029 -17.886 155 3HD1 ILE 33 3HD1 ILE 33 8.448 6.510 -17.970 156 H LEU 34 H LEU 34 9.369 5.064 -22.143 157 HA LEU 34 HA LEU 34 12.094 4.658 -23.164 158 2HB LEU 34 2HB LEU 34 10.790 6.111 -25.103 159 HG LEU 34 HG LEU 34 10.819 4.154 -26.509 160 1HD1 LEU 34 1HD1 LEU 34 12.975 5.302 -25.823 161 2HD1 LEU 34 2HD1 LEU 34 13.244 3.930 -24.722 162 3HD1 LEU 34 3HD1 LEU 34 13.125 3.653 -26.477 163 1HD2 LEU 34 1HD2 LEU 34 11.563 2.389 -24.188 164 2HD2 LEU 34 2HD2 LEU 34 9.860 2.667 -24.625 165 3HD2 LEU 34 3HD2 LEU 34 10.975 1.944 -25.808 166 H ALA 35 H ALA 35 12.810 5.966 -21.334 167 HA ALA 35 HA ALA 35 12.034 8.786 -21.619 168 1HB ALA 35 1HB ALA 35 11.488 7.799 -19.436 169 2HB ALA 35 2HB ALA 35 13.172 7.257 -19.243 170 3HB ALA 35 3HB ALA 35 12.794 8.996 -19.265 171 H THR 12 H THR 12 -8.553 -2.099 -16.093 172 HA THR 12 HA THR 12 -8.191 -1.169 -13.328 173 HB THR 12 HB THR 12 -10.605 -0.962 -14.215 174 HG1 THR 12 1HG THR 12 -11.306 -2.107 -12.205 175 1HG2 THR 12 1HG2 THR 12 -10.771 -3.044 -15.539 176 2HG2 THR 12 2HG2 THR 12 -10.310 -4.010 -14.117 177 3HG2 THR 12 3HG2 THR 12 -11.870 -3.154 -14.144 178 H ALA 13 H ALA 13 -7.740 -2.792 -11.775 179 HA ALA 13 HA ALA 13 -6.516 -5.125 -13.016 180 1HB ALA 13 1HB ALA 13 -5.036 -5.047 -11.285 181 2HB ALA 13 2HB ALA 13 -5.622 -3.374 -11.121 182 3HB ALA 13 3HB ALA 13 -6.296 -4.658 -10.089 183 H LEU 14 H LEU 14 -8.821 -5.891 -13.522 184 HA LEU 14 HA LEU 14 -9.915 -7.217 -11.138 185 2HB LEU 14 2HB LEU 14 -11.907 -7.242 -13.042 186 HG LEU 14 HG LEU 14 -12.872 -5.238 -11.789 187 1HD1 LEU 14 1HD1 LEU 14 -12.073 -7.616 -10.090 188 2HD1 LEU 14 2HD1 LEU 14 -13.496 -6.563 -9.889 189 3HD1 LEU 14 3HD1 LEU 14 -13.373 -7.632 -11.308 190 1HD2 LEU 14 1HD2 LEU 14 -10.230 -4.921 -10.951 191 2HD2 LEU 14 2HD2 LEU 14 -11.666 -4.069 -10.332 192 3HD2 LEU 14 3HD2 LEU 14 -11.087 -5.545 -9.521 193 H ASN 15 H ASN 15 -9.727 -9.390 -11.085 194 HA ASN 15 HA ASN 15 -8.516 -10.686 -13.267 195 2HB ASN 15 2HB ASN 15 -9.908 -11.970 -10.862 196 1HD2 ASN 15 1HD2 ASN 15 -7.986 -13.599 -10.088 197 2HD2 ASN 15 2HD2 ASN 15 -7.538 -14.745 -11.307 198 H THR 16 H THR 16 -9.644 -11.374 -15.091 199 HA THR 16 HA THR 16 -12.507 -11.963 -14.763 200 HB THR 16 HB THR 16 -10.802 -11.051 -17.135 201 HG1 THR 16 1HG THR 16 -11.910 -9.136 -16.649 202 1HG2 THR 16 1HG2 THR 16 -13.162 -12.609 -17.271 203 2HG2 THR 16 2HG2 THR 16 -13.727 -10.928 -17.424 204 3HG2 THR 16 3HG2 THR 16 -12.517 -11.567 -18.563 205 HA DPR 17 HA DPR 17 -11.989 -16.034 -16.052 206 1HB DPR 17 2HB DPR 17 -12.705 -17.322 -13.751 207 2HB DPR 17 3HB DPR 17 -13.870 -16.698 -14.901 208 1HG DPR 17 2HG DPR 17 -13.102 -15.607 -12.263 209 2HG DPR 17 3HG DPR 17 -14.528 -15.260 -13.220 210 1HD DPR 17 2HD DPR 17 -12.215 -13.592 -12.921 211 2HD DPR 17 3HD DPR 17 -13.589 -13.300 -13.969 212 H ALA 18 H ALA 18 -10.236 -17.203 -16.499 213 HA ALA 18 HA ALA 18 -8.509 -17.836 -14.272 214 1HB ALA 18 1HB ALA 18 -8.820 -18.686 -17.144 215 2HB ALA 18 2HB ALA 18 -7.277 -18.991 -16.309 216 3HB ALA 18 3HB ALA 18 -8.788 -19.676 -15.665 217 H VAL 19 H VAL 19 -8.075 -16.373 -17.579 218 HA VAL 19 HA VAL 19 -5.575 -15.230 -16.750 219 HB VAL 19 HB VAL 19 -5.549 -14.344 -19.040 220 1HG1 VAL 19 1HG1 VAL 19 -5.152 -16.898 -18.264 221 2HG1 VAL 19 2HG1 VAL 19 -6.431 -17.151 -19.476 222 3HG1 VAL 19 3HG1 VAL 19 -4.917 -16.335 -19.936 223 1HG2 VAL 19 1HG2 VAL 19 -8.018 -13.955 -19.208 224 2HG2 VAL 19 2HG2 VAL 19 -7.313 -14.778 -20.618 225 3HG2 VAL 19 3HG2 VAL 19 -8.233 -15.709 -19.412 226 H GLN 20 H GLN 20 -5.106 -12.978 -16.536 227 HA GLN 20 HA GLN 20 -7.517 -11.391 -16.099 228 2HB GLN 20 2HB GLN 20 -6.134 -12.059 -14.032 229 2HG GLN 20 2HG GLN 20 -4.323 -9.765 -14.505 230 1HE2 GLN 20 1HE2 GLN 20 -2.230 -11.993 -14.757 231 2HE2 GLN 20 2HE2 GLN 20 -2.030 -12.597 -13.146 232 H LYS 21 H LYS 21 -7.120 -8.951 -16.333 233 HA LYS 21 HA LYS 21 -4.979 -8.423 -18.260 234 2HB LYS 21 2HB LYS 21 -7.433 -6.960 -18.856 235 2HG LYS 21 2HG LYS 21 -5.378 -8.653 -20.309 236 2HD LYS 21 2HD LYS 21 -8.136 -7.862 -21.225 237 2HE LYS 21 2HE LYS 21 -5.964 -8.219 -23.288 238 1HZ LYS 21 1HZ LYS 21 -8.165 -8.115 -24.118 239 2HZ LYS 21 2HZ LYS 21 -8.602 -6.882 -23.149 240 H TRP 22 H TRP 22 -3.668 -6.965 -17.309 241 HA TRP 22 HA TRP 22 -4.982 -4.802 -15.813 242 2HB TRP 22 2HB TRP 22 -2.706 -6.568 -15.020 243 HD1 TRP 22 HD TRP 22 -0.473 -5.216 -14.670 244 HE1 TRP 22 1HE TRP 22 0.306 -3.012 -13.446 245 HE3 TRP 22 3HE TRP 22 -5.148 -3.576 -13.522 246 HZ2 TRP 22 2HZ TRP 22 -1.090 -0.878 -12.164 247 HZ3 TRP 22 3HZ TRP 22 -5.351 -1.423 -12.283 248 HH2 TRP 22 HH TRP 22 -3.419 -0.087 -11.608 249 H HIS 23 H HIS 23 -4.902 -3.335 -17.564 250 HA HIS 23 HA HIS 23 -2.237 -2.898 -18.687 251 2HB HIS 23 2HB HIS 23 -4.946 -2.070 -19.770 252 HD1 HIS 23 1HD HIS 23 -4.156 -2.359 -22.711 253 HD2 HIS 23 2HD HIS 23 -1.771 -0.411 -19.862 254 HE1 HIS 23 1HE HIS 23 -2.643 -0.769 -24.012 255 H PHE 24 H PHE 24 -1.155 -1.378 -17.522 256 HA PHE 24 HA PHE 24 -2.707 0.988 -16.734 257 2HB PHE 24 2HB PHE 24 -0.079 0.102 -15.476 258 HD1 PHE 24 1HD PHE 24 -3.552 1.334 -14.920 259 HD2 PHE 24 2HD PHE 24 0.466 1.284 -13.553 260 HE1 PHE 24 1HE PHE 24 -4.124 3.045 -13.174 261 HE2 PHE 24 2HE PHE 24 -0.107 2.995 -11.808 262 HZ PHE 24 HZ PHE 24 -2.394 3.855 -11.640 263 H VAL 25 H VAL 25 -2.244 2.618 -18.146 264 HA VAL 25 HA VAL 25 0.594 2.974 -18.822 265 HB VAL 25 HB VAL 25 -0.589 2.111 -20.741 266 1HG1 VAL 25 1HG1 VAL 25 -2.536 3.089 -21.697 267 2HG1 VAL 25 2HG1 VAL 25 -2.868 2.911 -19.957 268 3HG1 VAL 25 3HG1 VAL 25 -2.442 4.505 -20.624 269 1HG2 VAL 25 1HG2 VAL 25 -0.517 4.677 -21.934 270 2HG2 VAL 25 2HG2 VAL 25 0.711 4.682 -20.645 271 3HG2 VAL 25 3HG2 VAL 25 0.762 3.438 -21.917 272 H LEU 26 H LEU 26 0.332 4.221 -16.674 273 HA LEU 26 HA LEU 26 -0.895 6.831 -17.201 274 2HB LEU 26 2HB LEU 26 -1.598 5.361 -15.225 275 HG LEU 26 HG LEU 26 -0.409 5.618 -13.161 276 1HD1 LEU 26 1HD1 LEU 26 1.652 4.615 -15.129 277 2HD1 LEU 26 2HD1 LEU 26 1.350 4.075 -13.459 278 3HD1 LEU 26 3HD1 LEU 26 0.167 3.712 -14.739 279 1HD2 LEU 26 1HD2 LEU 26 1.208 7.100 -12.750 280 2HD2 LEU 26 2HD2 LEU 26 2.128 6.638 -14.202 281 3HD2 LEU 26 3HD2 LEU 26 0.793 7.807 -14.330 282 HA DPR 27 HA DPR 27 3.053 8.618 -16.037 283 1HB DPR 27 2HB DPR 27 2.498 11.180 -16.811 284 2HB DPR 27 3HB DPR 27 2.252 10.598 -15.176 285 1HG DPR 27 2HG DPR 27 0.240 11.134 -17.275 286 2HG DPR 27 3HG DPR 27 0.006 10.969 -15.546 287 1HD DPR 27 2HD DPR 27 -0.601 9.013 -17.554 288 2HD DPR 27 3HD DPR 27 -0.726 8.807 -15.819 289 H GLY 28 H GLY 28 4.215 7.403 -17.510 290 1HA GLY 28 1HA GLY 28 3.922 8.027 -20.308 291 2HA GLY 28 2HA GLY 28 5.378 8.692 -19.593 292 H TYR 29 H TYR 29 3.828 5.672 -18.447 293 HA TYR 29 HA TYR 29 6.097 4.191 -19.598 294 2HB TYR 29 2HB TYR 29 4.600 3.354 -17.091 295 HD1 TYR 29 1HD TYR 29 7.500 4.118 -15.710 296 HD2 TYR 29 2HD TYR 29 6.120 1.578 -18.864 297 HE1 TYR 29 1HE TYR 29 9.515 2.603 -15.382 298 HE2 TYR 29 2HE TYR 29 8.139 0.071 -18.524 299 HH TYR 29 HH TYR 29 10.388 0.249 -17.646 300 H LYS 30 H LYS 30 5.327 2.931 -21.225 301 HA LYS 30 HA LYS 30 2.592 1.987 -21.068 302 2HB LYS 30 2HB LYS 30 3.190 2.883 -23.174 303 2HG LYS 30 2HG LYS 30 5.736 1.358 -22.714 304 2HD LYS 30 2HD LYS 30 6.060 1.770 -25.331 305 2HE LYS 30 2HE LYS 30 6.162 -0.453 -24.076 306 1HZ LYS 30 1HZ LYS 30 3.986 -1.755 -24.620 307 2HZ LYS 30 2HZ LYS 30 4.031 -0.840 -23.273 308 H CYS 31 H CYS 31 2.438 0.378 -19.529 309 HA CYS 31 HA CYS 31 4.123 -1.955 -20.065 310 2HB CYS 31 2HB CYS 31 3.523 -0.635 -17.437 311 H GLU 32 H GLU 32 2.951 -3.886 -20.215 312 HA GLU 32 HA GLU 32 0.237 -3.850 -19.219 313 2HB GLU 32 2HB GLU 32 -0.169 -3.193 -21.480 314 2HG GLU 32 2HG GLU 32 1.608 -5.489 -22.420 315 HE2 GLU 32 HE GLU 32 1.359 -3.573 -25.512 316 H ILE 33 H ILE 33 -0.546 -5.934 -18.619 317 HA ILE 33 HA ILE 33 1.380 -8.113 -19.005 318 HB ILE 33 HB ILE 33 1.591 -7.121 -16.756 319 2HG1 ILE 33 2HG1 ILE 33 2.022 -9.137 -15.824 320 1HG2 ILE 33 1HG2 ILE 33 -0.227 -7.478 -15.114 321 2HG2 ILE 33 2HG2 ILE 33 -0.660 -6.323 -16.397 322 3HG2 ILE 33 3HG2 ILE 33 -1.296 -7.985 -16.444 323 1HD1 ILE 33 1HD1 ILE 33 -0.724 -10.040 -16.802 324 2HD1 ILE 33 2HD1 ILE 33 0.422 -11.086 -15.931 325 3HD1 ILE 33 3HD1 ILE 33 -0.263 -9.653 -15.128 326 H LEU 34 H LEU 34 0.492 -9.854 -19.977 327 HA LEU 34 HA LEU 34 -2.385 -10.258 -19.609 328 2HB LEU 34 2HB LEU 34 -2.143 -9.110 -21.708 329 HG LEU 34 HG LEU 34 0.179 -10.785 -22.119 330 1HD1 LEU 34 1HD1 LEU 34 -1.910 -11.908 -23.434 331 2HD1 LEU 34 2HD1 LEU 34 -1.344 -10.739 -24.651 332 3HD1 LEU 34 3HD1 LEU 34 -0.222 -11.957 -23.998 333 1HD2 LEU 34 1HD2 LEU 34 0.731 -9.139 -23.770 334 2HD2 LEU 34 2HD2 LEU 34 -0.954 -8.572 -23.848 335 3HD2 LEU 34 3HD2 LEU 34 0.007 -8.308 -22.373 336 H ALA 35 H ALA 35 -3.060 -12.470 -19.704 337 HA ALA 35 HA ALA 35 -0.802 -14.352 -19.591 338 1HB ALA 35 1HB ALA 35 -3.144 -13.897 -17.770 339 2HB ALA 35 2HB ALA 35 -2.588 -15.570 -18.018 340 3HB ALA 35 3HB ALA 35 -1.466 -14.345 -17.380 Start of MODEL 16 1 H THR 12 H THR 12 21.373 -1.192 -16.569 2 HA THR 12 HA THR 12 19.604 -3.447 -16.611 3 HB THR 12 HB THR 12 21.473 -4.607 -15.598 4 HG1 THR 12 1HG THR 12 20.306 -5.072 -13.723 5 1HG2 THR 12 1HG2 THR 12 22.844 -3.736 -13.855 6 2HG2 THR 12 2HG2 THR 12 22.661 -2.341 -14.945 7 3HG2 THR 12 3HG2 THR 12 21.680 -2.448 -13.464 8 H ALA 13 H ALA 13 18.614 -1.127 -17.005 9 HA ALA 13 HA ALA 13 17.067 0.267 -16.231 10 1HB ALA 13 1HB ALA 13 15.963 -0.147 -14.189 11 2HB ALA 13 2HB ALA 13 16.580 -1.748 -14.664 12 3HB ALA 13 3HB ALA 13 17.430 -0.799 -13.421 13 H LEU 14 H LEU 14 19.058 1.652 -16.809 14 HA LEU 14 HA LEU 14 19.841 3.118 -14.389 15 2HB LEU 14 2HB LEU 14 21.968 3.635 -15.663 16 HG LEU 14 HG LEU 14 21.411 0.821 -14.720 17 1HD1 LEU 14 1HD1 LEU 14 24.135 1.894 -15.488 18 2HD1 LEU 14 2HD1 LEU 14 23.724 0.257 -14.924 19 3HD1 LEU 14 3HD1 LEU 14 23.158 0.817 -16.515 20 1HD2 LEU 14 1HD2 LEU 14 21.419 2.593 -13.022 21 2HD2 LEU 14 2HD2 LEU 14 22.779 1.465 -12.811 22 3HD2 LEU 14 3HD2 LEU 14 23.056 3.070 -13.528 23 H ASN 15 H ASN 15 20.380 5.452 -14.847 24 HA ASN 15 HA ASN 15 18.750 6.368 -17.085 25 2HB ASN 15 2HB ASN 15 18.220 8.386 -15.653 26 1HD2 ASN 15 1HD2 ASN 15 17.156 7.831 -13.141 27 2HD2 ASN 15 2HD2 ASN 15 15.924 6.622 -13.275 28 H THR 16 H THR 16 20.529 6.767 -18.519 29 HA THR 16 HA THR 16 22.427 8.809 -17.574 30 HB THR 16 HB THR 16 22.882 6.157 -18.981 31 HG1 THR 16 1HG THR 16 23.314 6.363 -16.705 32 1HG2 THR 16 1HG2 THR 16 24.959 6.847 -19.876 33 2HG2 THR 16 2HG2 THR 16 23.933 8.251 -20.255 34 3HG2 THR 16 3HG2 THR 16 25.024 8.299 -18.850 35 HA DPR 17 HA DPR 17 22.073 10.459 -21.660 36 1HB DPR 17 2HB DPR 17 22.804 13.012 -21.015 37 2HB DPR 17 3HB DPR 17 23.949 11.788 -21.525 38 1HG DPR 17 2HG DPR 17 23.462 12.854 -18.811 39 2HG DPR 17 3HG DPR 17 24.852 11.969 -19.411 40 1HD DPR 17 2HD DPR 17 22.739 10.938 -17.768 41 2HD DPR 17 3HD DPR 17 24.064 10.027 -18.464 42 H ALA 18 H ALA 18 20.906 12.526 -22.540 43 HA ALA 18 HA ALA 18 18.924 13.603 -20.871 44 1HB ALA 18 1HB ALA 18 18.676 14.958 -22.651 45 2HB ALA 18 2HB ALA 18 19.956 14.016 -23.453 46 3HB ALA 18 3HB ALA 18 18.246 13.592 -23.708 47 H VAL 19 H VAL 19 19.040 10.786 -23.100 48 HA VAL 19 HA VAL 19 16.269 10.186 -22.374 49 HB VAL 19 HB VAL 19 18.093 9.214 -24.576 50 1HG1 VAL 19 1HG1 VAL 19 15.401 8.349 -24.977 51 2HG1 VAL 19 2HG1 VAL 19 16.870 7.363 -24.783 52 3HG1 VAL 19 3HG1 VAL 19 15.914 7.825 -23.355 53 1HG2 VAL 19 1HG2 VAL 19 17.230 11.371 -25.094 54 2HG2 VAL 19 2HG2 VAL 19 16.245 10.204 -26.007 55 3HG2 VAL 19 3HG2 VAL 19 15.602 10.939 -24.519 56 H GLN 20 H GLN 20 15.738 8.411 -21.139 57 HA GLN 20 HA GLN 20 18.026 6.814 -20.281 58 2HB GLN 20 2HB GLN 20 17.001 6.600 -18.097 59 2HG GLN 20 2HG GLN 20 17.579 9.196 -19.273 60 1HE2 GLN 20 1HE2 GLN 20 16.342 10.891 -19.420 61 2HE2 GLN 20 2HE2 GLN 20 15.067 11.366 -18.348 62 H LYS 21 H LYS 21 17.601 4.511 -19.829 63 HA LYS 21 HA LYS 21 15.184 3.557 -21.199 64 2HB LYS 21 2HB LYS 21 16.634 1.587 -21.896 65 2HG LYS 21 2HG LYS 21 17.720 4.137 -23.100 66 2HD LYS 21 2HD LYS 21 16.309 2.075 -24.718 67 2HE LYS 21 2HE LYS 21 18.826 3.739 -24.837 68 1HZ LYS 21 1HZ LYS 21 19.842 1.870 -25.647 69 2HZ LYS 21 2HZ LYS 21 18.458 1.105 -26.038 70 H TRP 22 H TRP 22 13.843 2.826 -19.632 71 HA TRP 22 HA TRP 22 15.093 1.298 -17.451 72 2HB TRP 22 2HB TRP 22 12.838 3.256 -17.502 73 HD1 TRP 22 HD TRP 22 10.821 1.305 -17.161 74 HE1 TRP 22 1HE TRP 22 9.877 0.122 -14.999 75 HE3 TRP 22 3HE TRP 22 14.835 2.325 -14.212 76 HZ2 TRP 22 2HZ TRP 22 10.892 -0.246 -12.357 77 HZ3 TRP 22 3HZ TRP 22 14.778 1.518 -11.854 78 HH2 TRP 22 HH TRP 22 12.895 0.273 -10.916 79 H HIS 23 H HIS 23 14.944 -0.823 -18.145 80 HA HIS 23 HA HIS 23 12.264 -1.680 -18.953 81 2HB HIS 23 2HB HIS 23 13.799 -1.544 -20.901 82 HD1 HIS 23 1HD HIS 23 16.344 -1.149 -19.802 83 HD2 HIS 23 2HD HIS 23 15.098 -5.086 -20.537 84 HE1 HIS 23 1HE HIS 23 18.462 -2.571 -19.855 85 H PHE 24 H PHE 24 11.503 -2.779 -17.207 86 HA PHE 24 HA PHE 24 13.333 -4.754 -16.039 87 2HB PHE 24 2HB PHE 24 11.258 -2.867 -14.778 88 HD1 PHE 24 1HD PHE 24 9.874 -4.318 -13.504 89 HD2 PHE 24 2HD PHE 24 14.096 -4.636 -13.212 90 HE1 PHE 24 1HE PHE 24 9.623 -5.814 -11.505 91 HE2 PHE 24 2HE PHE 24 13.844 -6.132 -11.212 92 HZ PHE 24 HZ PHE 24 11.610 -6.703 -10.382 93 H VAL 25 H VAL 25 12.413 -6.382 -17.451 94 HA VAL 25 HA VAL 25 9.697 -7.125 -16.617 95 HB VAL 25 HB VAL 25 9.223 -7.864 -18.845 96 1HG1 VAL 25 1HG1 VAL 25 10.171 -5.340 -19.829 97 2HG1 VAL 25 2HG1 VAL 25 8.527 -5.803 -19.328 98 3HG1 VAL 25 3HG1 VAL 25 9.670 -5.149 -18.132 99 1HG2 VAL 25 1HG2 VAL 25 11.116 -8.685 -19.853 100 2HG2 VAL 25 2HG2 VAL 25 11.011 -7.098 -20.653 101 3HG2 VAL 25 3HG2 VAL 25 12.136 -7.337 -19.294 102 H LEU 26 H LEU 26 9.957 -8.850 -15.286 103 HA LEU 26 HA LEU 26 11.446 -11.100 -16.334 104 2HB LEU 26 2HB LEU 26 13.225 -10.098 -15.198 105 HG LEU 26 HG LEU 26 11.692 -8.559 -13.739 106 1HD1 LEU 26 1HD1 LEU 26 11.719 -11.111 -12.204 107 2HD1 LEU 26 2HD1 LEU 26 11.905 -9.595 -11.290 108 3HD1 LEU 26 3HD1 LEU 26 10.473 -9.845 -12.316 109 1HD2 LEU 26 1HD2 LEU 26 14.085 -8.314 -13.830 110 2HD2 LEU 26 2HD2 LEU 26 13.560 -8.232 -12.132 111 3HD2 LEU 26 3HD2 LEU 26 14.315 -9.717 -12.760 112 HA DPR 27 HA DPR 27 7.965 -12.939 -14.524 113 1HB DPR 27 2HB DPR 27 5.759 -12.162 -15.939 114 2HB DPR 27 3HB DPR 27 6.894 -13.366 -16.517 115 1HG DPR 27 2HG DPR 27 6.572 -10.557 -17.380 116 2HG DPR 27 3HG DPR 27 7.379 -11.874 -18.209 117 1HD DPR 27 2HD DPR 27 8.628 -9.729 -16.773 118 2HD DPR 27 3HD DPR 27 9.427 -11.107 -17.502 119 H GLY 28 H GLY 28 5.281 -12.379 -14.060 120 1HA GLY 28 1HA GLY 28 4.108 -11.528 -12.324 121 2HA GLY 28 2HA GLY 28 5.572 -10.797 -11.696 122 H TYR 29 H TYR 29 5.505 -9.841 -14.891 123 HA TYR 29 HA TYR 29 3.514 -8.032 -15.219 124 2HB TYR 29 2HB TYR 29 5.499 -6.135 -14.365 125 HD1 TYR 29 1HD TYR 29 4.075 -6.917 -11.308 126 HD2 TYR 29 2HD TYR 29 2.971 -5.446 -15.170 127 HE1 TYR 29 1HE TYR 29 2.012 -5.818 -10.308 128 HE2 TYR 29 2HE TYR 29 0.912 -4.351 -14.157 129 HH TYR 29 HH TYR 29 0.413 -3.467 -11.612 130 H LYS 30 H LYS 30 4.184 -6.152 -16.737 131 HA LYS 30 HA LYS 30 6.730 -6.624 -18.042 132 2HB LYS 30 2HB LYS 30 4.997 -6.510 -20.212 133 2HG LYS 30 2HG LYS 30 6.684 -8.593 -18.848 134 2HD LYS 30 2HD LYS 30 4.396 -9.591 -19.802 135 2HE LYS 30 2HE LYS 30 6.121 -9.400 -22.315 136 1HZ LYS 30 1HZ LYS 30 4.601 -11.344 -22.058 137 2HZ LYS 30 2HZ LYS 30 3.327 -10.336 -21.945 138 H CYS 31 H CYS 31 7.396 -4.561 -17.425 139 HA CYS 31 HA CYS 31 5.854 -2.417 -18.686 140 2HB CYS 31 2HB CYS 31 7.349 -1.955 -16.125 141 H GLU 32 H GLU 32 7.116 -1.143 -20.035 142 HA GLU 32 HA GLU 32 9.945 -1.032 -19.532 143 2HB GLU 32 2HB GLU 32 10.196 -2.828 -20.977 144 2HG GLU 32 2HG GLU 32 7.493 -2.014 -21.881 145 HE2 GLU 32 HE GLU 32 7.333 -2.357 -25.005 146 H ILE 33 H ILE 33 10.261 1.151 -19.463 147 HA ILE 33 HA ILE 33 8.664 2.801 -21.268 148 HB ILE 33 HB ILE 33 8.532 3.330 -18.914 149 2HG1 ILE 33 2HG1 ILE 33 8.288 5.172 -20.447 150 1HG2 ILE 33 1HG2 ILE 33 11.140 4.422 -18.431 151 2HG2 ILE 33 2HG2 ILE 33 10.251 3.174 -17.525 152 3HG2 ILE 33 3HG2 ILE 33 11.291 2.710 -18.893 153 1HD1 ILE 33 1HD1 ILE 33 9.479 5.460 -17.798 154 2HD1 ILE 33 2HD1 ILE 33 9.958 6.811 -18.854 155 3HD1 ILE 33 3HD1 ILE 33 8.235 6.460 -18.585 156 H LEU 34 H LEU 34 9.569 4.058 -22.880 157 HA LEU 34 HA LEU 34 12.483 3.813 -23.156 158 2HB LEU 34 2HB LEU 34 11.172 4.160 -25.685 159 HG LEU 34 HG LEU 34 12.246 2.056 -26.300 160 1HD1 LEU 34 1HD1 LEU 34 14.610 2.701 -25.837 161 2HD1 LEU 34 2HD1 LEU 34 13.601 4.032 -26.453 162 3HD1 LEU 34 3HD1 LEU 34 14.006 3.951 -24.723 163 1HD2 LEU 34 1HD2 LEU 34 11.819 1.074 -23.925 164 2HD2 LEU 34 2HD2 LEU 34 13.259 0.571 -24.844 165 3HD2 LEU 34 3HD2 LEU 34 13.411 1.776 -23.544 166 H ALA 35 H ALA 35 12.182 5.859 -21.751 167 HA ALA 35 HA ALA 35 11.804 8.120 -23.592 168 1HB ALA 35 1HB ALA 35 11.349 8.569 -20.691 169 2HB ALA 35 2HB ALA 35 10.457 9.191 -22.100 170 3HB ALA 35 3HB ALA 35 10.142 7.545 -21.502 171 H THR 12 H THR 12 -6.695 -1.419 -20.612 172 HA THR 12 HA THR 12 -9.627 -1.700 -20.585 173 HB THR 12 HB THR 12 -7.538 -3.198 -22.251 174 HG1 THR 12 1HG THR 12 -8.394 -0.978 -22.844 175 1HG2 THR 12 1HG2 THR 12 -9.621 -4.210 -23.317 176 2HG2 THR 12 2HG2 THR 12 -9.315 -4.788 -21.661 177 3HG2 THR 12 3HG2 THR 12 -10.565 -3.557 -21.957 178 H ALA 13 H ALA 13 -10.147 -2.408 -18.604 179 HA ALA 13 HA ALA 13 -8.477 -4.583 -17.538 180 1HB ALA 13 1HB ALA 13 -10.083 -2.617 -15.879 181 2HB ALA 13 2HB ALA 13 -8.780 -3.708 -15.352 182 3HB ALA 13 3HB ALA 13 -8.402 -2.292 -16.362 183 H LEU 14 H LEU 14 -9.770 -6.203 -18.566 184 HA LEU 14 HA LEU 14 -12.496 -6.342 -17.477 185 2HB LEU 14 2HB LEU 14 -11.400 -6.982 -20.191 186 HG LEU 14 HG LEU 14 -13.462 -8.535 -18.814 187 1HD1 LEU 14 1HD1 LEU 14 -14.942 -8.522 -20.929 188 2HD1 LEU 14 2HD1 LEU 14 -15.127 -7.204 -19.747 189 3HD1 LEU 14 3HD1 LEU 14 -14.211 -6.931 -21.248 190 1HD2 LEU 14 1HD2 LEU 14 -11.380 -9.173 -20.320 191 2HD2 LEU 14 2HD2 LEU 14 -12.849 -10.178 -20.276 192 3HD2 LEU 14 3HD2 LEU 14 -12.586 -9.043 -21.622 193 H ASN 15 H ASN 15 -13.034 -8.148 -16.315 194 HA ASN 15 HA ASN 15 -10.961 -10.197 -16.235 195 2HB ASN 15 2HB ASN 15 -12.977 -9.575 -14.022 196 1HD2 ASN 15 1HD2 ASN 15 -9.502 -9.987 -13.914 197 2HD2 ASN 15 2HD2 ASN 15 -9.461 -11.524 -13.117 198 H THR 16 H THR 16 -11.871 -11.710 -17.715 199 HA THR 16 HA THR 16 -14.639 -12.548 -17.145 200 HB THR 16 HB THR 16 -13.001 -12.451 -19.728 201 HG1 THR 16 1HG THR 16 -15.515 -11.337 -18.693 202 1HG2 THR 16 1HG2 THR 16 -14.718 -13.592 -20.857 203 2HG2 THR 16 2HG2 THR 16 -14.709 -14.487 -19.318 204 3HG2 THR 16 3HG2 THR 16 -15.924 -13.217 -19.603 205 HA DPR 17 HA DPR 17 -13.193 -16.485 -16.257 206 1HB DPR 17 2HB DPR 17 -13.007 -16.451 -13.531 207 2HB DPR 17 3HB DPR 17 -14.525 -16.644 -14.386 208 1HG DPR 17 2HG DPR 17 -13.481 -14.264 -12.977 209 2HG DPR 17 3HG DPR 17 -15.128 -14.621 -13.457 210 1HD DPR 17 2HD DPR 17 -13.318 -12.809 -14.748 211 2HD DPR 17 3HD DPR 17 -14.923 -13.253 -15.294 212 H ALA 18 H ALA 18 -11.308 -17.236 -16.977 213 HA ALA 18 HA ALA 18 -9.025 -16.598 -15.289 214 1HB ALA 18 1HB ALA 18 -7.960 -18.459 -16.459 215 2HB ALA 18 2HB ALA 18 -9.570 -18.957 -15.890 216 3HB ALA 18 3HB ALA 18 -9.319 -18.553 -17.605 217 H VAL 19 H VAL 19 -10.378 -14.627 -17.174 218 HA VAL 19 HA VAL 19 -8.116 -14.211 -19.000 219 HB VAL 19 HB VAL 19 -11.006 -13.338 -19.107 220 1HG1 VAL 19 1HG1 VAL 19 -8.690 -12.549 -20.904 221 2HG1 VAL 19 2HG1 VAL 19 -10.406 -12.292 -21.297 222 3HG1 VAL 19 3HG1 VAL 19 -9.684 -11.476 -19.889 223 1HG2 VAL 19 1HG2 VAL 19 -10.120 -14.605 -21.494 224 2HG2 VAL 19 2HG2 VAL 19 -9.579 -15.609 -20.127 225 3HG2 VAL 19 3HG2 VAL 19 -11.302 -15.196 -20.301 226 H GLN 20 H GLN 20 -6.631 -12.958 -17.954 227 HA GLN 20 HA GLN 20 -7.720 -10.666 -16.515 228 2HB GLN 20 2HB GLN 20 -4.891 -11.419 -16.008 229 2HG GLN 20 2HG GLN 20 -7.349 -10.700 -14.364 230 1HE2 GLN 20 1HE2 GLN 20 -5.799 -9.624 -12.298 231 2HE2 GLN 20 2HE2 GLN 20 -5.121 -10.906 -11.351 232 H LYS 21 H LYS 21 -7.583 -8.829 -17.728 233 HA LYS 21 HA LYS 21 -5.130 -8.488 -19.309 234 2HB LYS 21 2HB LYS 21 -7.980 -7.789 -20.067 235 2HG LYS 21 2HG LYS 21 -6.143 -6.039 -20.651 236 2HD LYS 21 2HD LYS 21 -5.143 -8.508 -22.024 237 2HE LYS 21 2HE LYS 21 -5.473 -5.823 -23.379 238 1HZ LYS 21 1HZ LYS 21 -3.577 -6.492 -24.808 239 2HZ LYS 21 2HZ LYS 21 -3.086 -6.140 -23.296 240 H TRP 22 H TRP 22 -3.903 -7.001 -18.284 241 HA TRP 22 HA TRP 22 -5.331 -4.723 -17.090 242 2HB TRP 22 2HB TRP 22 -3.024 -6.358 -16.143 243 HD1 TRP 22 HD TRP 22 -0.823 -4.863 -16.100 244 HE1 TRP 22 1HE TRP 22 -0.062 -2.590 -14.994 245 HE3 TRP 22 3HE TRP 22 -5.472 -3.407 -14.643 246 HZ2 TRP 22 2HZ TRP 22 -1.458 -0.486 -13.666 247 HZ3 TRP 22 3HZ TRP 22 -5.685 -1.229 -13.447 248 HH2 TRP 22 HH TRP 22 -3.774 0.213 -12.954 249 H HIS 23 H HIS 23 -5.281 -3.341 -18.897 250 HA HIS 23 HA HIS 23 -2.586 -2.767 -19.899 251 2HB HIS 23 2HB HIS 23 -5.199 -2.461 -21.402 252 HD1 HIS 23 1HD HIS 23 -2.567 -3.749 -23.460 253 HD2 HIS 23 2HD HIS 23 -3.616 0.071 -22.079 254 HE1 HIS 23 1HE HIS 23 -1.410 -2.084 -25.011 255 H PHE 24 H PHE 24 -2.030 -1.089 -18.506 256 HA PHE 24 HA PHE 24 -3.799 1.246 -18.674 257 2HB PHE 24 2HB PHE 24 -2.171 0.043 -16.362 258 HD1 PHE 24 1HD PHE 24 -0.846 1.751 -15.449 259 HD2 PHE 24 2HD PHE 24 -4.894 2.564 -16.431 260 HE1 PHE 24 1HE PHE 24 -0.682 3.970 -14.288 261 HE2 PHE 24 2HE PHE 24 -4.730 4.783 -15.270 262 HZ PHE 24 HZ PHE 24 -2.626 5.459 -14.212 263 H VAL 25 H VAL 25 -2.798 3.238 -19.034 264 HA VAL 25 HA VAL 25 0.122 3.099 -19.355 265 HB VAL 25 HB VAL 25 -1.133 3.210 -21.474 266 1HG1 VAL 25 1HG1 VAL 25 -3.124 4.385 -20.842 267 2HG1 VAL 25 2HG1 VAL 25 -2.191 5.808 -20.319 268 3HG1 VAL 25 3HG1 VAL 25 -2.272 5.382 -22.046 269 1HG2 VAL 25 1HG2 VAL 25 0.544 4.401 -22.362 270 2HG2 VAL 25 2HG2 VAL 25 0.038 5.888 -21.526 271 3HG2 VAL 25 3HG2 VAL 25 1.074 4.705 -20.690 272 H LEU 26 H LEU 26 1.309 4.532 -18.177 273 HA LEU 26 HA LEU 26 -0.179 6.750 -16.955 274 2HB LEU 26 2HB LEU 26 2.127 5.645 -15.482 275 HG LEU 26 HG LEU 26 -0.687 6.232 -14.532 276 1HD1 LEU 26 1HD1 LEU 26 0.109 5.055 -12.783 277 2HD1 LEU 26 2HD1 LEU 26 1.810 5.312 -13.238 278 3HD1 LEU 26 3HD1 LEU 26 0.914 6.591 -12.385 279 1HD2 LEU 26 1HD2 LEU 26 1.522 8.056 -15.191 280 2HD2 LEU 26 2HD2 LEU 26 -0.216 8.376 -14.974 281 3HD2 LEU 26 3HD2 LEU 26 0.854 8.271 -13.555 282 HA DPR 27 HA DPR 27 2.980 9.272 -18.463 283 1HB DPR 27 2HB DPR 27 1.880 10.247 -20.767 284 2HB DPR 27 3HB DPR 27 1.478 10.865 -19.177 285 1HG DPR 27 2HG DPR 27 -0.119 9.111 -20.943 286 2HG DPR 27 3HG DPR 27 -0.650 10.069 -19.576 287 1HD DPR 27 2HD DPR 27 -0.230 7.233 -19.622 288 2HD DPR 27 3HD DPR 27 -0.650 8.207 -18.228 289 H GLY 28 H GLY 28 4.895 8.377 -18.926 290 1HA GLY 28 1HA GLY 28 5.149 7.412 -21.685 291 2HA GLY 28 2HA GLY 28 6.444 7.908 -20.614 292 H TYR 29 H TYR 29 4.957 6.320 -18.348 293 HA TYR 29 HA TYR 29 6.391 3.872 -18.848 294 2HB TYR 29 2HB TYR 29 4.970 3.619 -16.470 295 HD1 TYR 29 1HD TYR 29 7.116 2.426 -16.145 296 HD2 TYR 29 2HD TYR 29 6.946 6.695 -16.376 297 HE1 TYR 29 1HE TYR 29 9.449 2.580 -15.147 298 HE2 TYR 29 2HE TYR 29 9.279 6.835 -15.377 299 HH TYR 29 HH TYR 29 11.156 3.906 -14.763 300 H LYS 30 H LYS 30 5.524 2.137 -19.859 301 HA LYS 30 HA LYS 30 2.601 1.876 -19.748 302 2HB LYS 30 2HB LYS 30 2.843 0.591 -21.866 303 2HG LYS 30 2HG LYS 30 3.450 3.472 -21.490 304 2HD LYS 30 2HD LYS 30 4.489 1.927 -23.857 305 2HE LYS 30 2HE LYS 30 2.540 4.021 -24.147 306 1HZ LYS 30 1HZ LYS 30 5.007 4.915 -25.427 307 2HZ LYS 30 2HZ LYS 30 3.737 5.798 -24.919 308 H CYS 31 H CYS 31 2.034 0.464 -18.177 309 HA CYS 31 HA CYS 31 3.777 -1.861 -17.831 310 2HB CYS 31 2HB CYS 31 2.706 -2.058 -15.586 311 H GLU 32 H GLU 32 2.939 -3.541 -19.040 312 HA GLU 32 HA GLU 32 0.068 -3.957 -18.787 313 2HB GLU 32 2HB GLU 32 1.657 -4.502 -21.328 314 2HG GLU 32 2HG GLU 32 -1.340 -4.119 -21.051 315 HE2 GLU 32 HE GLU 32 -0.822 -6.657 -23.680 316 H ILE 33 H ILE 33 -0.291 -5.857 -17.732 317 HA ILE 33 HA ILE 33 1.663 -8.004 -18.191 318 HB ILE 33 HB ILE 33 1.893 -7.070 -15.966 319 2HG1 ILE 33 2HG1 ILE 33 2.347 -9.421 -16.215 320 1HG2 ILE 33 1HG2 ILE 33 -0.939 -6.856 -16.077 321 2HG2 ILE 33 2HG2 ILE 33 -0.528 -7.929 -14.718 322 3HG2 ILE 33 3HG2 ILE 33 0.174 -6.296 -14.805 323 1HD1 ILE 33 1HD1 ILE 33 0.556 -9.315 -13.776 324 2HD1 ILE 33 2HD1 ILE 33 2.152 -10.081 -13.962 325 3HD1 ILE 33 3HD1 ILE 33 2.023 -8.309 -13.849 326 H LEU 34 H LEU 34 0.865 -9.870 -19.025 327 HA LEU 34 HA LEU 34 -2.064 -10.107 -19.052 328 2HB LEU 34 2HB LEU 34 -1.112 -11.717 -21.077 329 HG LEU 34 HG LEU 34 -2.559 -9.188 -20.922 330 1HD1 LEU 34 1HD1 LEU 34 -0.609 -9.597 -23.178 331 2HD1 LEU 34 2HD1 LEU 34 -2.137 -8.717 -23.425 332 3HD1 LEU 34 3HD1 LEU 34 -0.953 -8.129 -22.232 333 1HD2 LEU 34 1HD2 LEU 34 -3.493 -11.465 -21.405 334 2HD2 LEU 34 2HD2 LEU 34 -3.954 -10.203 -22.572 335 3HD2 LEU 34 3HD2 LEU 34 -2.696 -11.390 -22.995 336 H ALA 35 H ALA 35 -2.997 -12.120 -18.537 337 HA ALA 35 HA ALA 35 -1.093 -14.015 -17.339 338 1HB ALA 35 1HB ALA 35 -2.905 -14.566 -15.756 339 2HB ALA 35 2HB ALA 35 -2.496 -12.835 -15.683 340 3HB ALA 35 3HB ALA 35 -3.960 -13.367 -16.542 Start of MODEL 17 1 H THR 12 H THR 12 18.871 -4.058 -18.974 2 HA THR 12 HA THR 12 19.643 -3.801 -21.639 3 HB THR 12 HB THR 12 16.646 -3.838 -21.091 4 HG1 THR 12 1HG THR 12 16.946 -5.084 -23.161 5 1HG2 THR 12 1HG2 THR 12 16.340 -2.113 -22.559 6 2HG2 THR 12 2HG2 THR 12 18.097 -1.956 -22.793 7 3HG2 THR 12 3HG2 THR 12 17.164 -3.093 -23.795 8 H ALA 13 H ALA 13 21.023 -2.452 -20.264 9 HA ALA 13 HA ALA 13 19.669 0.048 -19.522 10 1HB ALA 13 1HB ALA 13 22.364 -1.017 -18.591 11 2HB ALA 13 2HB ALA 13 21.469 0.377 -17.939 12 3HB ALA 13 3HB ALA 13 20.836 -1.272 -17.715 13 H LEU 14 H LEU 14 19.718 0.418 -21.970 14 HA LEU 14 HA LEU 14 22.393 1.319 -22.776 15 2HB LEU 14 2HB LEU 14 21.345 -0.477 -24.127 16 HG LEU 14 HG LEU 14 19.030 1.146 -24.112 17 1HD1 LEU 14 1HD1 LEU 14 18.868 1.063 -26.796 18 2HD1 LEU 14 2HD1 LEU 14 19.384 2.503 -25.884 19 3HD1 LEU 14 3HD1 LEU 14 20.601 1.427 -26.613 20 1HD2 LEU 14 1HD2 LEU 14 19.188 -1.048 -26.091 21 2HD2 LEU 14 2HD2 LEU 14 19.630 -1.473 -24.420 22 3HD2 LEU 14 3HD2 LEU 14 18.033 -0.766 -24.766 23 H ASN 15 H ASN 15 21.750 3.147 -21.176 24 HA ASN 15 HA ASN 15 20.337 5.134 -22.769 25 2HB ASN 15 2HB ASN 15 18.826 4.667 -20.955 26 1HD2 ASN 15 1HD2 ASN 15 18.439 4.648 -18.602 27 2HD2 ASN 15 2HD2 ASN 15 19.586 3.862 -17.568 28 H THR 16 H THR 16 21.502 7.091 -22.972 29 HA THR 16 HA THR 16 23.679 7.585 -21.082 30 HB THR 16 HB THR 16 24.765 6.391 -22.919 31 HG1 THR 16 1HG THR 16 25.923 8.386 -23.804 32 1HG2 THR 16 1HG2 THR 16 23.000 6.724 -24.683 33 2HG2 THR 16 2HG2 THR 16 23.424 8.452 -24.749 34 3HG2 THR 16 3HG2 THR 16 24.609 7.224 -25.255 35 HA DPR 17 HA DPR 17 22.064 11.561 -21.349 36 1HB DPR 17 2HB DPR 17 19.742 11.560 -19.907 37 2HB DPR 17 3HB DPR 17 21.330 11.588 -19.166 38 1HG DPR 17 2HG DPR 17 19.424 9.339 -19.381 39 2HG DPR 17 3HG DPR 17 20.795 9.518 -18.304 40 1HD DPR 17 2HD DPR 17 20.670 7.900 -20.669 41 2HD DPR 17 3HD DPR 17 22.075 8.170 -19.656 42 H ALA 18 H ALA 18 21.845 10.904 -23.756 43 HA ALA 18 HA ALA 18 19.859 12.342 -24.850 44 1HB ALA 18 1HB ALA 18 20.978 11.653 -26.670 45 2HB ALA 18 2HB ALA 18 21.794 10.408 -25.694 46 3HB ALA 18 3HB ALA 18 20.256 10.033 -26.509 47 H VAL 19 H VAL 19 19.669 8.711 -24.767 48 HA VAL 19 HA VAL 19 16.773 9.044 -24.390 49 HB VAL 19 HB VAL 19 18.364 6.975 -25.912 50 1HG1 VAL 19 1HG1 VAL 19 15.689 6.456 -26.405 51 2HG1 VAL 19 2HG1 VAL 19 16.763 5.510 -25.348 52 3HG1 VAL 19 3HG1 VAL 19 15.725 6.778 -24.655 53 1HG2 VAL 19 1HG2 VAL 19 16.427 7.891 -27.597 54 2HG2 VAL 19 2HG2 VAL 19 16.757 9.352 -26.636 55 3HG2 VAL 19 3HG2 VAL 19 18.079 8.546 -27.513 56 H GLN 20 H GLN 20 15.721 7.635 -22.899 57 HA GLN 20 HA GLN 20 17.603 6.214 -21.180 58 2HB GLN 20 2HB GLN 20 15.039 7.420 -20.116 59 2HG GLN 20 2HG GLN 20 17.775 7.064 -18.818 60 1HE2 GLN 20 1HE2 GLN 20 17.862 7.944 -16.898 61 2HE2 GLN 20 2HE2 GLN 20 16.531 8.491 -15.933 62 H LYS 21 H LYS 21 17.234 4.183 -22.200 63 HA LYS 21 HA LYS 21 14.466 3.223 -22.003 64 2HB LYS 21 2HB LYS 21 15.352 1.486 -23.700 65 2HG LYS 21 2HG LYS 21 15.430 4.015 -25.174 66 2HD LYS 21 2HD LYS 21 13.238 3.128 -26.034 67 2HE LYS 21 2HE LYS 21 15.815 1.671 -26.066 68 1HZ LYS 21 1HZ LYS 21 14.811 -0.298 -27.109 69 2HZ LYS 21 2HZ LYS 21 14.335 -0.189 -25.555 70 H TRP 22 H TRP 22 14.349 2.376 -19.949 71 HA TRP 22 HA TRP 22 16.166 0.144 -19.443 72 2HB TRP 22 2HB TRP 22 16.950 2.274 -18.286 73 HD1 TRP 22 HD TRP 22 13.997 3.422 -18.229 74 HE1 TRP 22 1HE TRP 22 12.849 4.347 -16.039 75 HE3 TRP 22 3HE TRP 22 16.983 0.908 -14.971 76 HZ2 TRP 22 2HZ TRP 22 13.309 3.932 -13.254 77 HZ3 TRP 22 3HZ TRP 22 16.567 1.223 -12.533 78 HH2 TRP 22 HH TRP 22 14.804 2.674 -11.659 79 H HIS 23 H HIS 23 14.592 -1.435 -19.739 80 HA HIS 23 HA HIS 23 12.047 -1.007 -18.382 81 2HB HIS 23 2HB HIS 23 12.186 -1.591 -20.856 82 HD1 HIS 23 1HD HIS 23 13.564 -2.972 -22.406 83 HD2 HIS 23 2HD HIS 23 12.511 -5.087 -18.940 84 HE1 HIS 23 1HE HIS 23 14.509 -5.325 -22.690 85 H PHE 24 H PHE 24 11.081 -3.005 -17.291 86 HA PHE 24 HA PHE 24 13.209 -4.632 -16.104 87 2HB PHE 24 2HB PHE 24 10.987 -2.928 -14.897 88 HD1 PHE 24 1HD PHE 24 13.404 -5.403 -13.485 89 HD2 PHE 24 2HD PHE 24 9.412 -3.966 -13.570 90 HE1 PHE 24 1HE PHE 24 12.784 -7.018 -11.666 91 HE2 PHE 24 2HE PHE 24 8.792 -5.580 -11.752 92 HZ PHE 24 HZ PHE 24 10.486 -7.087 -10.821 93 H VAL 25 H VAL 25 12.817 -6.711 -16.697 94 HA VAL 25 HA VAL 25 10.015 -7.503 -17.018 95 HB VAL 25 HB VAL 25 11.630 -7.718 -18.919 96 1HG1 VAL 25 1HG1 VAL 25 12.849 -10.191 -18.053 97 2HG1 VAL 25 2HG1 VAL 25 13.612 -8.714 -18.690 98 3HG1 VAL 25 3HG1 VAL 25 13.287 -8.866 -16.947 99 1HG2 VAL 25 1HG2 VAL 25 9.946 -9.886 -17.791 100 2HG2 VAL 25 2HG2 VAL 25 9.868 -9.073 -19.371 101 3HG2 VAL 25 3HG2 VAL 25 11.064 -10.361 -19.091 102 H LEU 26 H LEU 26 9.150 -9.254 -15.867 103 HA LEU 26 HA LEU 26 10.880 -10.760 -14.130 104 2HB LEU 26 2HB LEU 26 8.661 -9.213 -12.824 105 HG LEU 26 HG LEU 26 9.989 -9.481 -10.792 106 1HD1 LEU 26 1HD1 LEU 26 9.599 -11.846 -10.407 107 2HD1 LEU 26 2HD1 LEU 26 8.263 -11.145 -11.351 108 3HD1 LEU 26 3HD1 LEU 26 9.498 -12.141 -12.160 109 1HD2 LEU 26 1HD2 LEU 26 12.210 -9.571 -11.924 110 2HD2 LEU 26 2HD2 LEU 26 11.977 -10.816 -10.673 111 3HD2 LEU 26 3HD2 LEU 26 11.852 -11.250 -12.395 112 HA DPR 27 HA DPR 27 7.751 -13.667 -14.744 113 1HB DPR 27 2HB DPR 27 8.748 -15.103 -16.846 114 2HB DPR 27 3HB DPR 27 9.281 -15.329 -15.192 115 1HG DPR 27 2HG DPR 27 10.673 -13.970 -17.418 116 2HG DPR 27 3HG DPR 27 11.338 -14.575 -15.914 117 1HD DPR 27 2HD DPR 27 10.777 -11.838 -16.564 118 2HD DPR 27 3HD DPR 27 11.332 -12.456 -15.021 119 H GLY 28 H GLY 28 5.715 -13.435 -15.395 120 1HA GLY 28 1HA GLY 28 5.244 -13.023 -18.215 121 2HA GLY 28 2HA GLY 28 4.055 -13.231 -16.944 122 H TYR 29 H TYR 29 5.396 -11.093 -15.226 123 HA TYR 29 HA TYR 29 3.888 -8.909 -16.237 124 2HB TYR 29 2HB TYR 29 5.408 -7.888 -14.224 125 HD1 TYR 29 1HD TYR 29 3.718 -7.056 -12.883 126 HD2 TYR 29 2HD TYR 29 3.585 -11.174 -14.037 127 HE1 TYR 29 1HE TYR 29 1.596 -7.377 -11.520 128 HE2 TYR 29 2HE TYR 29 1.463 -11.481 -12.669 129 HH TYR 29 HH TYR 29 0.011 -8.727 -10.954 130 H LYS 30 H LYS 30 4.517 -7.642 -17.913 131 HA LYS 30 HA LYS 30 7.385 -7.021 -18.069 132 2HB LYS 30 2HB LYS 30 7.072 -6.830 -20.516 133 2HG LYS 30 2HG LYS 30 6.085 -9.532 -19.506 134 2HD LYS 30 2HD LYS 30 8.124 -9.850 -21.403 135 2HE LYS 30 2HE LYS 30 5.545 -9.831 -22.722 136 1HZ LYS 30 1HZ LYS 30 7.668 -11.587 -22.210 137 2HZ LYS 30 2HZ LYS 30 6.305 -12.359 -21.762 138 H CYS 31 H CYS 31 7.913 -4.908 -17.839 139 HA CYS 31 HA CYS 31 5.771 -2.974 -18.323 140 2HB CYS 31 2HB CYS 31 7.515 -3.254 -15.895 141 H GLU 32 H GLU 32 6.441 -1.494 -19.842 142 HA GLU 32 HA GLU 32 9.328 -1.196 -20.143 143 2HB GLU 32 2HB GLU 32 8.161 -0.285 -22.522 144 2HG GLU 32 2HG GLU 32 10.087 -2.124 -21.749 145 HE2 GLU 32 HE GLU 32 8.773 -3.811 -20.676 146 H ILE 33 H ILE 33 10.204 0.878 -20.086 147 HA ILE 33 HA ILE 33 8.267 3.077 -19.943 148 HB ILE 33 HB ILE 33 10.615 2.542 -18.129 149 2HG1 ILE 33 2HG1 ILE 33 8.395 1.395 -17.689 150 1HG2 ILE 33 1HG2 ILE 33 9.203 5.072 -18.801 151 2HG2 ILE 33 2HG2 ILE 33 9.566 4.767 -17.085 152 3HG2 ILE 33 3HG2 ILE 33 10.882 4.790 -18.284 153 1HD1 ILE 33 1HD1 ILE 33 9.563 1.420 -15.709 154 2HD1 ILE 33 2HD1 ILE 33 9.948 3.152 -15.843 155 3HD1 ILE 33 3HD1 ILE 33 8.348 2.640 -15.256 156 H LEU 34 H LEU 34 8.766 4.861 -21.167 157 HA LEU 34 HA LEU 34 11.344 4.717 -22.568 158 2HB LEU 34 2HB LEU 34 9.979 6.247 -24.208 159 HG LEU 34 HG LEU 34 9.140 4.339 -25.483 160 1HD1 LEU 34 1HD1 LEU 34 11.524 4.911 -25.599 161 2HD1 LEU 34 2HD1 LEU 34 11.858 3.780 -24.267 162 3HD1 LEU 34 3HD1 LEU 34 11.247 3.168 -25.822 163 1HD2 LEU 34 1HD2 LEU 34 8.536 2.386 -24.603 164 2HD2 LEU 34 2HD2 LEU 34 10.079 2.213 -23.731 165 3HD2 LEU 34 3HD2 LEU 34 8.745 3.142 -23.005 166 H ALA 35 H ALA 35 12.078 7.007 -23.335 167 HA ALA 35 HA ALA 35 11.625 8.853 -21.090 168 1HB ALA 35 1HB ALA 35 14.133 9.162 -22.599 169 2HB ALA 35 2HB ALA 35 13.861 9.068 -20.842 170 3HB ALA 35 3HB ALA 35 13.983 7.576 -21.806 171 H THR 12 H THR 12 -7.821 -0.898 -19.208 172 HA THR 12 HA THR 12 -9.740 -0.275 -17.059 173 HB THR 12 HB THR 12 -10.067 -1.539 -19.817 174 HG1 THR 12 1HG THR 12 -12.005 0.174 -18.871 175 1HG2 THR 12 1HG2 THR 12 -11.306 -2.948 -18.113 176 2HG2 THR 12 2HG2 THR 12 -12.110 -1.469 -17.535 177 3HG2 THR 12 3HG2 THR 12 -12.399 -2.050 -19.192 178 H ALA 13 H ALA 13 -10.561 -2.082 -15.822 179 HA ALA 13 HA ALA 13 -8.665 -4.330 -15.844 180 1HB ALA 13 1HB ALA 13 -9.789 -2.639 -13.621 181 2HB ALA 13 2HB ALA 13 -9.404 -4.347 -13.302 182 3HB ALA 13 3HB ALA 13 -8.131 -3.238 -13.863 183 H LEU 14 H LEU 14 -9.968 -5.654 -17.187 184 HA LEU 14 HA LEU 14 -12.504 -6.432 -15.923 185 2HB LEU 14 2HB LEU 14 -12.141 -6.728 -18.859 186 HG LEU 14 HG LEU 14 -14.250 -7.444 -17.707 187 1HD1 LEU 14 1HD1 LEU 14 -14.729 -6.009 -15.991 188 2HD1 LEU 14 2HD1 LEU 14 -14.241 -4.564 -16.907 189 3HD1 LEU 14 3HD1 LEU 14 -15.798 -5.353 -17.254 190 1HD2 LEU 14 1HD2 LEU 14 -13.886 -6.181 -20.139 191 2HD2 LEU 14 2HD2 LEU 14 -15.334 -7.080 -19.621 192 3HD2 LEU 14 3HD2 LEU 14 -15.266 -5.312 -19.426 193 H ASN 15 H ASN 15 -13.162 -8.739 -16.649 194 HA ASN 15 HA ASN 15 -10.717 -10.323 -16.592 195 2HB ASN 15 2HB ASN 15 -13.534 -10.913 -15.549 196 1HD2 ASN 15 1HD2 ASN 15 -14.017 -12.932 -14.940 197 2HD2 ASN 15 2HD2 ASN 15 -13.030 -14.330 -15.207 198 H THR 16 H THR 16 -10.408 -11.764 -18.324 199 HA THR 16 HA THR 16 -12.699 -12.123 -20.145 200 HB THR 16 HB THR 16 -9.698 -11.796 -20.635 201 HG1 THR 16 1HG THR 16 -10.824 -9.817 -20.604 202 1HG2 THR 16 1HG2 THR 16 -11.951 -12.652 -22.520 203 2HG2 THR 16 2HG2 THR 16 -10.431 -11.923 -23.095 204 3HG2 THR 16 3HG2 THR 16 -10.403 -13.487 -22.245 205 HA DPR 17 HA DPR 17 -12.306 -16.365 -19.654 206 1HB DPR 17 2HB DPR 17 -14.177 -16.917 -17.740 207 2HB DPR 17 3HB DPR 17 -14.581 -16.634 -19.422 208 1HG DPR 17 2HG DPR 17 -14.938 -14.838 -17.101 209 2HG DPR 17 3HG DPR 17 -15.701 -14.760 -18.677 210 1HD DPR 17 2HD DPR 17 -13.550 -13.115 -17.730 211 2HD DPR 17 3HD DPR 17 -14.236 -13.118 -19.342 212 H ALA 18 H ALA 18 -10.689 -17.582 -18.926 213 HA ALA 18 HA ALA 18 -10.355 -17.807 -16.103 214 1HB ALA 18 1HB ALA 18 -8.736 -19.459 -16.657 215 2HB ALA 18 2HB ALA 18 -9.988 -19.593 -17.916 216 3HB ALA 18 3HB ALA 18 -8.456 -18.758 -18.269 217 H VAL 19 H VAL 19 -8.180 -16.641 -18.781 218 HA VAL 19 HA VAL 19 -6.692 -15.141 -16.775 219 HB VAL 19 HB VAL 19 -5.567 -16.664 -18.396 220 1HG1 VAL 19 1HG1 VAL 19 -6.467 -16.588 -20.476 221 2HG1 VAL 19 2HG1 VAL 19 -6.955 -14.882 -20.322 222 3HG1 VAL 19 3HG1 VAL 19 -5.267 -15.294 -20.713 223 1HG2 VAL 19 1HG2 VAL 19 -3.841 -15.366 -17.836 224 2HG2 VAL 19 2HG2 VAL 19 -4.177 -14.380 -19.278 225 3HG2 VAL 19 3HG2 VAL 19 -4.890 -13.936 -17.710 226 H GLN 20 H GLN 20 -6.415 -12.870 -16.878 227 HA GLN 20 HA GLN 20 -8.313 -11.586 -18.687 228 2HB GLN 20 2HB GLN 20 -8.997 -11.512 -16.275 229 2HG GLN 20 2HG GLN 20 -7.207 -9.433 -15.403 230 1HE2 GLN 20 1HE2 GLN 20 -5.913 -12.424 -14.629 231 2HE2 GLN 20 2HE2 GLN 20 -6.799 -12.782 -13.185 232 H LYS 21 H LYS 21 -7.709 -9.129 -19.000 233 HA LYS 21 HA LYS 21 -4.784 -8.943 -19.206 234 2HB LYS 21 2HB LYS 21 -6.513 -7.579 -21.224 235 2HG LYS 21 2HG LYS 21 -3.714 -8.350 -20.828 236 2HD LYS 21 2HD LYS 21 -4.986 -10.024 -22.660 237 2HE LYS 21 2HE LYS 21 -5.153 -7.758 -24.046 238 1HZ LYS 21 1HZ LYS 21 -3.079 -6.915 -24.320 239 2HZ LYS 21 2HZ LYS 21 -2.313 -8.303 -23.953 240 H TRP 22 H TRP 22 -3.850 -7.012 -18.556 241 HA TRP 22 HA TRP 22 -5.750 -4.997 -17.565 242 2HB TRP 22 2HB TRP 22 -4.366 -4.585 -15.698 243 HD1 TRP 22 HD TRP 22 -3.636 -8.349 -16.415 244 HE1 TRP 22 1HE TRP 22 -4.959 -9.889 -14.730 245 HE3 TRP 22 3HE TRP 22 -6.182 -4.576 -14.149 246 HZ2 TRP 22 2HZ TRP 22 -6.880 -9.368 -12.684 247 HZ3 TRP 22 3HZ TRP 22 -7.762 -5.177 -12.317 248 HH2 TRP 22 HH TRP 22 -8.130 -7.477 -11.577 249 H HIS 23 H HIS 23 -5.231 -2.822 -18.053 250 HA HIS 23 HA HIS 23 -2.813 -2.466 -19.661 251 2HB HIS 23 2HB HIS 23 -5.038 -0.756 -20.475 252 HD1 HIS 23 1HD HIS 23 -4.461 -3.607 -22.709 253 HD2 HIS 23 2HD HIS 23 -2.572 0.049 -21.897 254 HE1 HIS 23 1HE HIS 23 -2.901 -3.156 -24.677 255 H PHE 24 H PHE 24 -1.506 -1.193 -18.441 256 HA PHE 24 HA PHE 24 -2.795 1.087 -17.114 257 2HB PHE 24 2HB PHE 24 -0.399 -0.669 -16.305 258 HD1 PHE 24 1HD PHE 24 -2.795 1.307 -14.285 259 HD2 PHE 24 2HD PHE 24 1.224 0.875 -15.578 260 HE1 PHE 24 1HE PHE 24 -2.075 3.048 -12.628 261 HE2 PHE 24 2HE PHE 24 1.944 2.616 -13.920 262 HZ PHE 24 HZ PHE 24 0.286 3.682 -12.465 263 H VAL 25 H VAL 25 -2.353 2.571 -18.802 264 HA VAL 25 HA VAL 25 0.514 2.969 -19.320 265 HB VAL 25 HB VAL 25 -0.814 2.235 -21.262 266 1HG1 VAL 25 1HG1 VAL 25 -2.283 4.880 -21.037 267 2HG1 VAL 25 2HG1 VAL 25 -2.552 3.578 -22.222 268 3HG1 VAL 25 3HG1 VAL 25 -2.960 3.321 -20.508 269 1HG2 VAL 25 1HG2 VAL 25 0.669 3.389 -22.461 270 2HG2 VAL 25 2HG2 VAL 25 -0.312 4.864 -22.289 271 3HG2 VAL 25 3HG2 VAL 25 0.933 4.477 -21.077 272 H LEU 26 H LEU 26 1.370 4.764 -18.416 273 HA LEU 26 HA LEU 26 -0.503 6.947 -17.815 274 2HB LEU 26 2HB LEU 26 1.489 7.338 -16.042 275 HG LEU 26 HG LEU 26 0.160 6.144 -14.316 276 1HD1 LEU 26 1HD1 LEU 26 -0.523 8.330 -14.519 277 2HD1 LEU 26 2HD1 LEU 26 -1.081 8.121 -16.197 278 3HD1 LEU 26 3HD1 LEU 26 -2.041 7.460 -14.851 279 1HD2 LEU 26 1HD2 LEU 26 -1.327 4.551 -14.769 280 2HD2 LEU 26 2HD2 LEU 26 -2.124 5.540 -16.016 281 3HD2 LEU 26 3HD2 LEU 26 -0.698 4.562 -16.434 282 HA DPR 27 HA DPR 27 2.117 9.456 -20.150 283 1HB DPR 27 2HB DPR 27 1.037 9.335 -22.657 284 2HB DPR 27 3HB DPR 27 0.366 10.319 -21.371 285 1HG DPR 27 2HG DPR 27 -0.633 7.759 -22.458 286 2HG DPR 27 3HG DPR 27 -1.486 8.952 -21.498 287 1HD DPR 27 2HD DPR 27 -0.440 6.443 -20.583 288 2HD DPR 27 3HD DPR 27 -1.190 7.686 -19.601 289 H GLY 28 H GLY 28 4.210 8.875 -20.198 290 1HA GLY 28 1HA GLY 28 5.065 7.516 -22.589 291 2HA GLY 28 2HA GLY 28 6.064 8.156 -21.300 292 H TYR 29 H TYR 29 4.530 6.741 -19.134 293 HA TYR 29 HA TYR 29 6.024 4.328 -19.189 294 2HB TYR 29 2HB TYR 29 4.207 4.119 -17.122 295 HD1 TYR 29 1HD TYR 29 6.510 6.998 -17.878 296 HD2 TYR 29 2HD TYR 29 5.615 3.667 -15.347 297 HE1 TYR 29 1HE TYR 29 8.559 7.514 -16.462 298 HE2 TYR 29 2HE TYR 29 7.667 4.193 -13.941 299 HH TYR 29 HH TYR 29 9.277 5.594 -13.566 300 H LYS 30 H LYS 30 5.468 2.672 -20.538 301 HA LYS 30 HA LYS 30 2.611 1.984 -20.617 302 2HB LYS 30 2HB LYS 30 4.634 1.460 -22.808 303 2HG LYS 30 2HG LYS 30 1.683 1.036 -22.395 304 2HD LYS 30 2HD LYS 30 2.614 1.175 -25.231 305 2HE LYS 30 2HE LYS 30 0.118 2.520 -24.329 306 1HZ LYS 30 1HZ LYS 30 0.348 0.247 -26.188 307 2HZ LYS 30 2HZ LYS 30 -0.679 1.509 -26.254 308 H CYS 31 H CYS 31 2.529 0.494 -18.949 309 HA CYS 31 HA CYS 31 4.351 -1.780 -19.273 310 2HB CYS 31 2HB CYS 31 4.268 -2.148 -16.892 311 H GLU 32 H GLU 32 3.333 -3.757 -19.586 312 HA GLU 32 HA GLU 32 0.435 -3.719 -19.250 313 2HB GLU 32 2HB GLU 32 1.492 -5.850 -20.982 314 2HG GLU 32 2HG GLU 32 -0.484 -3.549 -21.345 315 HE2 GLU 32 HE GLU 32 0.612 -4.590 -24.627 316 H ILE 33 H ILE 33 -0.574 -5.447 -18.148 317 HA ILE 33 HA ILE 33 1.305 -7.329 -16.899 318 HB ILE 33 HB ILE 33 -1.146 -5.971 -15.784 319 2HG1 ILE 33 2HG1 ILE 33 0.504 -5.291 -14.007 320 1HG2 ILE 33 1HG2 ILE 33 -1.017 -7.339 -13.843 321 2HG2 ILE 33 2HG2 ILE 33 -1.068 -8.429 -15.249 322 3HG2 ILE 33 3HG2 ILE 33 0.473 -8.127 -14.412 323 1HD1 ILE 33 1HD1 ILE 33 2.653 -5.867 -16.053 324 2HD1 ILE 33 2HD1 ILE 33 2.814 -5.567 -14.307 325 3HD1 ILE 33 3HD1 ILE 33 2.193 -7.131 -14.887 326 H LEU 34 H LEU 34 1.139 -9.148 -18.145 327 HA LEU 34 HA LEU 34 -1.600 -10.107 -18.613 328 2HB LEU 34 2HB LEU 34 -0.418 -9.373 -20.658 329 HG LEU 34 HG LEU 34 1.521 -11.543 -19.885 330 1HD1 LEU 34 1HD1 LEU 34 1.385 -12.462 -21.906 331 2HD1 LEU 34 2HD1 LEU 34 0.303 -11.178 -22.500 332 3HD1 LEU 34 3HD1 LEU 34 2.068 -10.948 -22.547 333 1HD2 LEU 34 1HD2 LEU 34 1.634 -8.714 -20.108 334 2HD2 LEU 34 2HD2 LEU 34 2.942 -9.853 -19.709 335 3HD2 LEU 34 3HD2 LEU 34 2.645 -9.399 -21.404 336 H ALA 35 H ALA 35 -2.122 -12.069 -17.760 337 HA ALA 35 HA ALA 35 0.120 -13.607 -16.636 338 1HB ALA 35 1HB ALA 35 -2.151 -12.448 -15.377 339 2HB ALA 35 2HB ALA 35 -2.424 -14.206 -15.407 340 3HB ALA 35 3HB ALA 35 -0.948 -13.546 -14.663 Start of MODEL 18 1 H THR 12 H THR 12 18.874 -2.445 -19.187 2 HA THR 12 HA THR 12 21.092 -0.834 -18.830 3 HB THR 12 HB THR 12 18.965 0.411 -20.652 4 HG1 THR 12 1HG THR 12 21.820 -0.226 -20.913 5 1HG2 THR 12 1HG2 THR 12 21.556 1.770 -20.383 6 2HG2 THR 12 2HG2 THR 12 19.917 2.446 -20.216 7 3HG2 THR 12 3HG2 THR 12 20.713 1.684 -18.818 8 H ALA 13 H ALA 13 20.821 0.664 -17.119 9 HA ALA 13 HA ALA 13 18.127 0.840 -16.021 10 1HB ALA 13 1HB ALA 13 20.353 -0.775 -14.941 11 2HB ALA 13 2HB ALA 13 19.632 0.348 -13.763 12 3HB ALA 13 3HB ALA 13 18.610 -0.851 -14.591 13 H LEU 14 H LEU 14 18.769 3.001 -17.147 14 HA LEU 14 HA LEU 14 19.872 4.689 -15.046 15 2HB LEU 14 2HB LEU 14 21.091 5.956 -16.924 16 HG LEU 14 HG LEU 14 22.166 3.247 -16.089 17 1HD1 LEU 14 1HD1 LEU 14 23.305 4.164 -18.076 18 2HD1 LEU 14 2HD1 LEU 14 23.664 5.651 -17.166 19 3HD1 LEU 14 3HD1 LEU 14 24.365 4.099 -16.647 20 1HD2 LEU 14 1HD2 LEU 14 22.184 4.149 -14.048 21 2HD2 LEU 14 2HD2 LEU 14 23.506 5.179 -14.647 22 3HD2 LEU 14 3HD2 LEU 14 21.831 5.781 -14.665 23 H ASN 15 H ASN 15 18.896 6.726 -14.932 24 HA ASN 15 HA ASN 15 16.872 7.187 -16.975 25 2HB ASN 15 2HB ASN 15 15.651 6.432 -15.014 26 1HD2 ASN 15 1HD2 ASN 15 14.996 6.921 -12.763 27 2HD2 ASN 15 2HD2 ASN 15 16.227 7.264 -11.593 28 H THR 16 H THR 16 18.822 8.560 -17.760 29 HA THR 16 HA THR 16 18.692 11.189 -16.466 30 HB THR 16 HB THR 16 21.219 11.318 -16.880 31 HG1 THR 16 1HG THR 16 21.243 9.500 -18.390 32 1HG2 THR 16 1HG2 THR 16 21.856 10.080 -14.911 33 2HG2 THR 16 2HG2 THR 16 20.182 10.602 -14.604 34 3HG2 THR 16 3HG2 THR 16 20.513 8.929 -15.114 35 HA DPR 17 HA DPR 17 19.379 12.640 -20.607 36 1HB DPR 17 2HB DPR 17 18.414 15.166 -20.213 37 2HB DPR 17 3HB DPR 17 20.105 14.747 -20.028 38 1HG DPR 17 2HG DPR 17 18.088 15.278 -17.933 39 2HG DPR 17 3HG DPR 17 19.835 15.280 -17.800 40 1HD DPR 17 2HD DPR 17 18.048 13.223 -16.905 41 2HD DPR 17 3HD DPR 17 19.799 13.174 -16.878 42 H ALA 18 H ALA 18 18.003 13.113 -22.407 43 HA ALA 18 HA ALA 18 15.177 12.839 -21.682 44 1HB ALA 18 1HB ALA 18 16.574 13.867 -24.183 45 2HB ALA 18 2HB ALA 18 14.811 13.708 -24.005 46 3HB ALA 18 3HB ALA 18 15.713 14.835 -22.963 47 H VAL 19 H VAL 19 17.485 10.730 -21.943 48 HA VAL 19 HA VAL 19 16.033 9.028 -23.850 49 HB VAL 19 HB VAL 19 18.407 7.867 -23.847 50 1HG1 VAL 19 1HG1 VAL 19 17.246 8.686 -25.833 51 2HG1 VAL 19 2HG1 VAL 19 17.736 10.355 -25.455 52 3HG1 VAL 19 3HG1 VAL 19 18.966 9.144 -25.888 53 1HG2 VAL 19 1HG2 VAL 19 19.260 9.587 -22.165 54 2HG2 VAL 19 2HG2 VAL 19 20.263 9.318 -23.610 55 3HG2 VAL 19 3HG2 VAL 19 19.227 10.761 -23.502 56 H GLN 20 H GLN 20 14.659 7.964 -22.437 57 HA GLN 20 HA GLN 20 15.974 6.721 -20.153 58 2HB GLN 20 2HB GLN 20 13.038 6.628 -20.144 59 2HG GLN 20 2HG GLN 20 15.319 7.266 -18.337 60 1HE2 GLN 20 1HE2 GLN 20 13.554 7.434 -16.062 61 2HE2 GLN 20 2HE2 GLN 20 12.972 9.062 -15.955 62 H LYS 21 H LYS 21 16.475 4.599 -20.467 63 HA LYS 21 HA LYS 21 14.541 2.999 -21.985 64 2HB LYS 21 2HB LYS 21 16.278 3.359 -23.548 65 2HG LYS 21 2HG LYS 21 18.354 2.432 -21.530 66 2HD LYS 21 2HD LYS 21 19.867 3.689 -23.093 67 2HE LYS 21 2HE LYS 21 18.211 1.335 -23.919 68 1HZ LYS 21 1HZ LYS 21 18.708 3.019 -25.903 69 2HZ LYS 21 2HZ LYS 21 20.154 2.272 -25.886 70 H TRP 22 H TRP 22 13.737 2.633 -19.730 71 HA TRP 22 HA TRP 22 15.507 0.823 -18.246 72 2HB TRP 22 2HB TRP 22 13.602 2.900 -17.476 73 HD1 TRP 22 HD TRP 22 11.179 1.779 -16.981 74 HE1 TRP 22 1HE TRP 22 10.203 0.199 -15.105 75 HE3 TRP 22 3HE TRP 22 15.685 0.290 -15.153 76 HZ2 TRP 22 2HZ TRP 22 11.398 -1.457 -13.113 77 HZ3 TRP 22 3HZ TRP 22 15.691 -1.310 -13.241 78 HH2 TRP 22 HH TRP 22 13.645 -2.179 -12.226 79 H HIS 23 H HIS 23 15.157 -1.173 -19.243 80 HA HIS 23 HA HIS 23 12.358 -1.944 -19.593 81 2HB HIS 23 2HB HIS 23 14.787 -3.322 -20.752 82 HD1 HIS 23 1HD HIS 23 13.693 -3.978 -23.434 83 HD2 HIS 23 2HD HIS 23 11.312 -4.169 -19.985 84 HE1 HIS 23 1HE HIS 23 11.754 -5.540 -23.989 85 H PHE 24 H PHE 24 11.529 -3.056 -17.900 86 HA PHE 24 HA PHE 24 13.316 -4.994 -16.612 87 2HB PHE 24 2HB PHE 24 11.191 -3.085 -15.472 88 HD1 PHE 24 1HD PHE 24 10.354 -3.366 -13.302 89 HD2 PHE 24 2HD PHE 24 13.482 -5.891 -14.658 90 HE1 PHE 24 1HE PHE 24 10.089 -4.793 -11.254 91 HE2 PHE 24 2HE PHE 24 13.218 -7.319 -12.611 92 HZ PHE 24 HZ PHE 24 11.524 -6.753 -10.933 93 H VAL 25 H VAL 25 12.489 -7.047 -16.336 94 HA VAL 25 HA VAL 25 9.625 -7.364 -16.910 95 HB VAL 25 HB VAL 25 10.056 -9.258 -18.243 96 1HG1 VAL 25 1HG1 VAL 25 10.465 -6.975 -19.268 97 2HG1 VAL 25 2HG1 VAL 25 12.206 -7.291 -19.078 98 3HG1 VAL 25 3HG1 VAL 25 11.218 -8.348 -20.115 99 1HG2 VAL 25 1HG2 VAL 25 12.716 -9.205 -16.929 100 2HG2 VAL 25 2HG2 VAL 25 11.711 -10.582 -17.438 101 3HG2 VAL 25 3HG2 VAL 25 12.700 -9.710 -18.635 102 H LEU 26 H LEU 26 8.516 -8.478 -15.369 103 HA LEU 26 HA LEU 26 10.101 -10.139 -13.548 104 2HB LEU 26 2HB LEU 26 7.883 -8.852 -12.217 105 HG LEU 26 HG LEU 26 10.852 -8.567 -11.687 106 1HD1 LEU 26 1HD1 LEU 26 10.172 -7.988 -9.416 107 2HD1 LEU 26 2HD1 LEU 26 9.463 -6.865 -10.602 108 3HD1 LEU 26 3HD1 LEU 26 8.459 -8.143 -9.875 109 1HD2 LEU 26 1HD2 LEU 26 10.108 -10.328 -9.829 110 2HD2 LEU 26 2HD2 LEU 26 8.948 -10.782 -11.102 111 3HD2 LEU 26 3HD2 LEU 26 10.697 -10.820 -11.435 112 HA DPR 27 HA DPR 27 6.980 -12.995 -14.426 113 1HB DPR 27 2HB DPR 27 7.604 -14.054 -16.867 114 2HB DPR 27 3HB DPR 27 8.426 -14.507 -15.386 115 1HG DPR 27 2HG DPR 27 9.381 -12.773 -17.581 116 2HG DPR 27 3HG DPR 27 10.312 -13.572 -16.329 117 1HD DPR 27 2HD DPR 27 9.610 -10.792 -16.437 118 2HD DPR 27 3HD DPR 27 10.439 -11.614 -15.130 119 H GLY 28 H GLY 28 4.867 -12.651 -14.616 120 1HA GLY 28 1HA GLY 28 3.836 -11.978 -17.213 121 2HA GLY 28 2HA GLY 28 2.936 -12.227 -15.730 122 H TYR 29 H TYR 29 4.997 -10.212 -14.419 123 HA TYR 29 HA TYR 29 3.487 -7.839 -15.253 124 2HB TYR 29 2HB TYR 29 4.671 -7.137 -12.937 125 HD1 TYR 29 1HD TYR 29 2.589 -6.203 -12.327 126 HD2 TYR 29 2HD TYR 29 2.937 -10.439 -12.820 127 HE1 TYR 29 1HE TYR 29 0.263 -6.514 -11.350 128 HE2 TYR 29 2HE TYR 29 0.609 -10.736 -11.841 129 HH TYR 29 HH TYR 29 -0.906 -9.590 -10.426 130 H LYS 30 H LYS 30 4.695 -7.101 -17.034 131 HA LYS 30 HA LYS 30 7.433 -6.297 -16.340 132 2HB LYS 30 2HB LYS 30 7.592 -8.140 -17.879 133 2HG LYS 30 2HG LYS 30 5.301 -6.754 -19.172 134 2HD LYS 30 2HD LYS 30 7.774 -7.247 -20.671 135 2HE LYS 30 2HE LYS 30 5.224 -8.583 -21.698 136 1HZ LYS 30 1HZ LYS 30 7.039 -9.391 -23.328 137 2HZ LYS 30 2HZ LYS 30 6.458 -7.885 -23.540 138 H CYS 31 H CYS 31 8.086 -4.217 -17.025 139 HA CYS 31 HA CYS 31 5.939 -2.624 -18.215 140 2HB CYS 31 2HB CYS 31 6.300 -0.823 -16.730 141 H GLU 32 H GLU 32 6.659 -1.336 -19.920 142 HA GLU 32 HA GLU 32 9.553 -1.108 -20.183 143 2HB GLU 32 2HB GLU 32 7.646 -1.508 -22.523 144 2HG GLU 32 2HG GLU 32 10.629 -2.065 -22.401 145 HE2 GLU 32 HE GLU 32 10.572 -0.450 -24.916 146 H ILE 33 H ILE 33 10.310 0.949 -20.648 147 HA ILE 33 HA ILE 33 8.316 2.909 -21.522 148 HB ILE 33 HB ILE 33 8.625 2.978 -19.049 149 2HG1 ILE 33 2HG1 ILE 33 8.356 5.249 -18.992 150 1HG2 ILE 33 1HG2 ILE 33 10.686 3.884 -18.122 151 2HG2 ILE 33 2HG2 ILE 33 10.996 2.351 -18.972 152 3HG2 ILE 33 3HG2 ILE 33 11.430 3.898 -19.739 153 1HD1 ILE 33 1HD1 ILE 33 9.634 6.841 -20.443 154 2HD1 ILE 33 2HD1 ILE 33 10.702 5.871 -19.399 155 3HD1 ILE 33 3HD1 ILE 33 10.531 5.462 -21.123 156 H LEU 34 H LEU 34 8.971 3.889 -23.355 157 HA LEU 34 HA LEU 34 11.867 4.146 -23.750 158 2HB LEU 34 2HB LEU 34 10.886 2.246 -25.038 159 HG LEU 34 HG LEU 34 9.094 4.340 -26.047 160 1HD1 LEU 34 1HD1 LEU 34 9.137 3.516 -28.398 161 2HD1 LEU 34 2HD1 LEU 34 10.590 4.428 -27.923 162 3HD1 LEU 34 3HD1 LEU 34 10.648 2.652 -28.025 163 1HD2 LEU 34 1HD2 LEU 34 8.071 2.450 -25.133 164 2HD2 LEU 34 2HD2 LEU 34 7.914 2.218 -26.891 165 3HD2 LEU 34 3HD2 LEU 34 9.160 1.328 -25.983 166 H ALA 35 H ALA 35 12.372 5.880 -25.443 167 HA ALA 35 HA ALA 35 10.374 8.026 -25.197 168 1HB ALA 35 1HB ALA 35 12.031 8.956 -23.936 169 2HB ALA 35 2HB ALA 35 13.290 7.904 -24.627 170 3HB ALA 35 3HB ALA 35 12.741 9.341 -25.523 171 H THR 12 H THR 12 -9.213 -2.041 -22.024 172 HA THR 12 HA THR 12 -11.849 -2.742 -20.906 173 HB THR 12 HB THR 12 -10.400 -3.606 -23.448 174 HG1 THR 12 1HG THR 12 -12.993 -2.560 -22.569 175 1HG2 THR 12 1HG2 THR 12 -12.428 -5.081 -21.783 176 2HG2 THR 12 2HG2 THR 12 -12.750 -4.978 -23.531 177 3HG2 THR 12 3HG2 THR 12 -11.242 -5.722 -22.946 178 H ALA 13 H ALA 13 -12.035 -4.603 -19.666 179 HA ALA 13 HA ALA 13 -9.444 -5.803 -18.956 180 1HB ALA 13 1HB ALA 13 -9.964 -4.829 -16.958 181 2HB ALA 13 2HB ALA 13 -11.698 -4.713 -17.345 182 3HB ALA 13 3HB ALA 13 -11.012 -6.256 -16.778 183 H LEU 14 H LEU 14 -9.272 -7.861 -19.673 184 HA LEU 14 HA LEU 14 -11.773 -9.388 -19.894 185 2HB LEU 14 2HB LEU 14 -9.408 -10.211 -21.465 186 HG LEU 14 HG LEU 14 -12.069 -10.888 -21.551 187 1HD1 LEU 14 1HD1 LEU 14 -12.050 -8.410 -22.760 188 2HD1 LEU 14 2HD1 LEU 14 -11.950 -9.530 -24.140 189 3HD1 LEU 14 3HD1 LEU 14 -13.286 -9.672 -22.973 190 1HD2 LEU 14 1HD2 LEU 14 -9.834 -11.838 -22.619 191 2HD2 LEU 14 2HD2 LEU 14 -11.441 -12.325 -23.207 192 3HD2 LEU 14 3HD2 LEU 14 -10.507 -11.091 -24.086 193 H ASN 15 H ASN 15 -11.889 -10.504 -17.987 194 HA ASN 15 HA ASN 15 -9.464 -11.957 -17.271 195 2HB ASN 15 2HB ASN 15 -10.066 -11.768 -14.959 196 1HD2 ASN 15 1HD2 ASN 15 -8.456 -10.202 -15.270 197 2HD2 ASN 15 2HD2 ASN 15 -8.810 -8.508 -15.324 198 H THR 16 H THR 16 -10.170 -13.734 -18.731 199 HA THR 16 HA THR 16 -12.494 -15.204 -17.673 200 HB THR 16 HB THR 16 -11.495 -14.699 -20.507 201 HG1 THR 16 1HG THR 16 -13.420 -13.597 -20.425 202 1HG2 THR 16 1HG2 THR 16 -12.846 -16.452 -21.359 203 2HG2 THR 16 2HG2 THR 16 -12.080 -17.230 -19.954 204 3HG2 THR 16 3HG2 THR 16 -13.748 -16.622 -19.833 205 HA DPR 17 HA DPR 17 -10.053 -18.819 -17.718 206 1HB DPR 17 2HB DPR 17 -11.009 -19.865 -15.381 207 2HB DPR 17 3HB DPR 17 -11.771 -20.137 -16.935 208 1HG DPR 17 2HG DPR 17 -12.634 -18.364 -14.734 209 2HG DPR 17 3HG DPR 17 -13.570 -18.971 -16.085 210 1HD DPR 17 2HD DPR 17 -12.487 -16.331 -15.796 211 2HD DPR 17 3HD DPR 17 -13.321 -16.973 -17.196 212 H ALA 18 H ALA 18 -7.933 -18.476 -17.487 213 HA ALA 18 HA ALA 18 -7.167 -17.364 -14.883 214 1HB ALA 18 1HB ALA 18 -5.094 -19.073 -15.540 215 2HB ALA 18 2HB ALA 18 -6.390 -19.429 -14.372 216 3HB ALA 18 3HB ALA 18 -6.527 -19.994 -16.055 217 H VAL 19 H VAL 19 -7.612 -16.208 -17.628 218 HA VAL 19 HA VAL 19 -4.833 -15.475 -18.233 219 HB VAL 19 HB VAL 19 -7.325 -15.354 -19.944 220 1HG1 VAL 19 1HG1 VAL 19 -5.087 -13.757 -20.161 221 2HG1 VAL 19 2HG1 VAL 19 -4.710 -15.105 -21.261 222 3HG1 VAL 19 3HG1 VAL 19 -6.203 -14.164 -21.486 223 1HG2 VAL 19 1HG2 VAL 19 -5.442 -17.483 -19.401 224 2HG2 VAL 19 2HG2 VAL 19 -6.924 -17.504 -20.385 225 3HG2 VAL 19 3HG2 VAL 19 -5.376 -17.016 -21.117 226 H GLN 20 H GLN 20 -4.177 -13.418 -17.812 227 HA GLN 20 HA GLN 20 -6.313 -11.528 -17.196 228 2HB GLN 20 2HB GLN 20 -3.701 -10.885 -16.013 229 2HG GLN 20 2HG GLN 20 -6.211 -10.131 -15.485 230 1HE2 GLN 20 1HE2 GLN 20 -7.554 -10.344 -13.478 231 2HE2 GLN 20 2HE2 GLN 20 -8.044 -11.934 -12.992 232 H LYS 21 H LYS 21 -6.497 -10.286 -19.038 233 HA LYS 21 HA LYS 21 -3.980 -9.227 -20.123 234 2HB LYS 21 2HB LYS 21 -5.265 -9.006 -22.277 235 2HG LYS 21 2HG LYS 21 -4.540 -11.610 -20.950 236 2HD LYS 21 2HD LYS 21 -6.616 -12.047 -22.373 237 2HE LYS 21 2HE LYS 21 -4.751 -11.429 -24.703 238 1HZ LYS 21 1HZ LYS 21 -7.616 -11.418 -25.020 239 2HZ LYS 21 2HZ LYS 21 -6.488 -12.157 -25.933 240 H TRP 22 H TRP 22 -3.944 -7.457 -18.645 241 HA TRP 22 HA TRP 22 -6.130 -5.542 -19.105 242 2HB TRP 22 2HB TRP 22 -4.571 -6.213 -16.628 243 HD1 TRP 22 HD TRP 22 -3.705 -4.159 -15.281 244 HE1 TRP 22 1HE TRP 22 -4.381 -1.647 -14.835 245 HE3 TRP 22 3HE TRP 22 -7.751 -4.153 -18.361 246 HZ2 TRP 22 2HZ TRP 22 -6.484 0.023 -15.800 247 HZ3 TRP 22 3HZ TRP 22 -9.061 -2.041 -18.552 248 HH2 TRP 22 HH TRP 22 -8.485 -0.001 -17.335 249 H HIS 23 H HIS 23 -5.489 -3.350 -19.502 250 HA HIS 23 HA HIS 23 -2.611 -3.027 -19.937 251 2HB HIS 23 2HB HIS 23 -4.602 -1.645 -21.702 252 HD1 HIS 23 1HD HIS 23 -2.634 -3.449 -23.898 253 HD2 HIS 23 2HD HIS 23 -1.725 -0.315 -21.264 254 HE1 HIS 23 1HE HIS 23 -0.489 -2.378 -24.774 255 H PHE 24 H PHE 24 -1.758 -1.392 -18.755 256 HA PHE 24 HA PHE 24 -3.576 0.791 -18.026 257 2HB PHE 24 2HB PHE 24 -1.454 -0.713 -16.382 258 HD1 PHE 24 1HD PHE 24 -4.123 0.555 -14.494 259 HD2 PHE 24 2HD PHE 24 -0.426 1.716 -16.224 260 HE1 PHE 24 1HE PHE 24 -3.968 2.469 -12.878 261 HE2 PHE 24 2HE PHE 24 -0.272 3.632 -14.608 262 HZ PHE 24 HZ PHE 24 -2.045 3.985 -12.956 263 H VAL 25 H VAL 25 -2.587 2.881 -17.788 264 HA VAL 25 HA VAL 25 0.165 2.991 -18.813 265 HB VAL 25 HB VAL 25 -0.442 4.976 -20.065 266 1HG1 VAL 25 1HG1 VAL 25 -2.581 3.306 -21.130 267 2HG1 VAL 25 2HG1 VAL 25 -0.995 3.715 -21.828 268 3HG1 VAL 25 3HG1 VAL 25 -1.144 2.350 -20.695 269 1HG2 VAL 25 1HG2 VAL 25 -3.322 4.463 -19.263 270 2HG2 VAL 25 2HG2 VAL 25 -2.286 5.712 -18.534 271 3HG2 VAL 25 3HG2 VAL 25 -2.696 5.794 -20.264 272 H LEU 26 H LEU 26 1.550 4.436 -17.779 273 HA LEU 26 HA LEU 26 0.335 5.974 -15.595 274 2HB LEU 26 2HB LEU 26 3.065 4.885 -15.224 275 HG LEU 26 HG LEU 26 0.793 4.688 -13.265 276 1HD1 LEU 26 1HD1 LEU 26 2.866 3.505 -12.759 277 2HD1 LEU 26 2HD1 LEU 26 3.789 5.016 -12.939 278 3HD1 LEU 26 3HD1 LEU 26 2.604 4.849 -11.621 279 1HD2 LEU 26 1HD2 LEU 26 2.007 6.974 -12.460 280 2HD2 LEU 26 2HD2 LEU 26 2.073 7.171 -14.227 281 3HD2 LEU 26 3HD2 LEU 26 0.508 6.914 -13.419 282 HA DPR 27 HA DPR 27 2.523 9.238 -17.389 283 1HB DPR 27 2HB DPR 27 1.013 10.069 -19.511 284 2HB DPR 27 3HB DPR 27 0.624 10.457 -17.847 285 1HG DPR 27 2HG DPR 27 -0.663 8.492 -19.641 286 2HG DPR 27 3HG DPR 27 -1.281 9.194 -18.159 287 1HD DPR 27 2HD DPR 27 -0.201 6.558 -18.489 288 2HD DPR 27 3HD DPR 27 -0.710 7.300 -16.986 289 H GLY 28 H GLY 28 4.522 9.103 -18.169 290 1HA GLY 28 1HA GLY 28 4.788 8.491 -20.983 291 2HA GLY 28 2HA GLY 28 6.044 8.986 -19.866 292 H TYR 29 H TYR 29 4.768 6.726 -17.985 293 HA TYR 29 HA TYR 29 6.433 4.612 -19.147 294 2HB TYR 29 2HB TYR 29 5.965 3.831 -16.609 295 HD1 TYR 29 1HD TYR 29 8.184 3.352 -16.125 296 HD2 TYR 29 2HD TYR 29 7.144 7.326 -17.321 297 HE1 TYR 29 1HE TYR 29 10.581 4.105 -15.736 298 HE2 TYR 29 2HE TYR 29 9.545 8.065 -16.928 299 HH TYR 29 HH TYR 29 11.661 7.263 -16.727 300 H LYS 30 H LYS 30 5.398 2.979 -20.173 301 HA LYS 30 HA LYS 30 2.640 2.433 -19.335 302 2HB LYS 30 2HB LYS 30 4.059 2.125 -21.985 303 2HG LYS 30 2HG LYS 30 1.237 1.185 -21.319 304 2HD LYS 30 2HD LYS 30 1.869 -0.146 -23.536 305 2HE LYS 30 2HE LYS 30 0.470 2.279 -22.988 306 1HZ LYS 30 1HZ LYS 30 1.690 3.734 -24.214 307 2HZ LYS 30 2HZ LYS 30 2.502 2.585 -25.035 308 H CYS 31 H CYS 31 2.169 0.511 -18.379 309 HA CYS 31 HA CYS 31 4.251 -1.544 -18.549 310 2HB CYS 31 2HB CYS 31 2.579 -0.819 -16.135 311 H GLU 32 H GLU 32 3.486 -3.541 -19.232 312 HA GLU 32 HA GLU 32 0.585 -3.741 -19.444 313 2HB GLU 32 2HB GLU 32 1.790 -3.727 -21.614 314 2HG GLU 32 2HG GLU 32 3.036 -6.346 -20.663 315 HE2 GLU 32 HE GLU 32 5.111 -4.824 -22.995 316 H ILE 33 H ILE 33 -0.482 -5.535 -18.571 317 HA ILE 33 HA ILE 33 1.251 -7.348 -17.048 318 HB ILE 33 HB ILE 33 -1.652 -6.676 -16.573 319 2HG1 ILE 33 2HG1 ILE 33 -1.015 -5.129 -14.916 320 1HG2 ILE 33 1HG2 ILE 33 -1.451 -8.645 -15.469 321 2HG2 ILE 33 2HG2 ILE 33 0.314 -8.504 -15.296 322 3HG2 ILE 33 3HG2 ILE 33 -0.762 -7.582 -14.218 323 1HD1 ILE 33 1HD1 ILE 33 0.826 -5.608 -13.677 324 2HD1 ILE 33 2HD1 ILE 33 1.505 -6.641 -14.957 325 3HD1 ILE 33 3HD1 ILE 33 1.777 -4.882 -14.996 326 H LEU 34 H LEU 34 1.576 -8.422 -19.236 327 HA LEU 34 HA LEU 34 -0.729 -10.148 -19.816 328 2HB LEU 34 2HB LEU 34 1.516 -9.285 -21.644 329 HG LEU 34 HG LEU 34 -0.134 -11.511 -21.948 330 1HD1 LEU 34 1HD1 LEU 34 -1.715 -11.025 -23.668 331 2HD1 LEU 34 2HD1 LEU 34 -2.026 -9.907 -22.319 332 3HD1 LEU 34 3HD1 LEU 34 -1.174 -9.332 -23.773 333 1HD2 LEU 34 1HD2 LEU 34 0.645 -10.828 -24.517 334 2HD2 LEU 34 2HD2 LEU 34 1.837 -10.008 -23.482 335 3HD2 LEU 34 3HD2 LEU 34 1.589 -11.764 -23.335 336 H ALA 35 H ALA 35 -0.521 -12.275 -19.348 337 HA ALA 35 HA ALA 35 2.219 -13.243 -18.890 338 1HB ALA 35 1HB ALA 35 0.020 -13.074 -17.104 339 2HB ALA 35 2HB ALA 35 0.189 -14.795 -17.529 340 3HB ALA 35 3HB ALA 35 1.571 -13.907 -16.844 Start of MODEL 19 1 H THR 12 H THR 12 18.871 -4.058 -18.974 2 HA THR 12 HA THR 12 19.643 -3.801 -21.639 3 HB THR 12 HB THR 12 16.646 -3.838 -21.091 4 HG1 THR 12 1HG THR 12 16.946 -5.084 -23.161 5 1HG2 THR 12 1HG2 THR 12 16.340 -2.113 -22.559 6 2HG2 THR 12 2HG2 THR 12 18.097 -1.956 -22.793 7 3HG2 THR 12 3HG2 THR 12 17.164 -3.093 -23.795 8 H ALA 13 H ALA 13 21.023 -2.452 -20.264 9 HA ALA 13 HA ALA 13 19.669 0.048 -19.522 10 1HB ALA 13 1HB ALA 13 22.364 -1.017 -18.591 11 2HB ALA 13 2HB ALA 13 21.469 0.377 -17.939 12 3HB ALA 13 3HB ALA 13 20.836 -1.272 -17.715 13 H LEU 14 H LEU 14 19.718 0.418 -21.970 14 HA LEU 14 HA LEU 14 22.393 1.319 -22.776 15 2HB LEU 14 2HB LEU 14 21.345 -0.477 -24.127 16 HG LEU 14 HG LEU 14 19.030 1.146 -24.112 17 1HD1 LEU 14 1HD1 LEU 14 18.868 1.063 -26.796 18 2HD1 LEU 14 2HD1 LEU 14 19.384 2.503 -25.884 19 3HD1 LEU 14 3HD1 LEU 14 20.601 1.427 -26.613 20 1HD2 LEU 14 1HD2 LEU 14 19.188 -1.048 -26.091 21 2HD2 LEU 14 2HD2 LEU 14 19.630 -1.473 -24.420 22 3HD2 LEU 14 3HD2 LEU 14 18.033 -0.766 -24.766 23 H ASN 15 H ASN 15 21.750 3.147 -21.176 24 HA ASN 15 HA ASN 15 20.337 5.134 -22.769 25 2HB ASN 15 2HB ASN 15 18.826 4.667 -20.955 26 1HD2 ASN 15 1HD2 ASN 15 18.439 4.648 -18.602 27 2HD2 ASN 15 2HD2 ASN 15 19.586 3.862 -17.568 28 H THR 16 H THR 16 21.502 7.091 -22.972 29 HA THR 16 HA THR 16 23.679 7.585 -21.082 30 HB THR 16 HB THR 16 24.765 6.391 -22.919 31 HG1 THR 16 1HG THR 16 25.923 8.386 -23.804 32 1HG2 THR 16 1HG2 THR 16 23.000 6.724 -24.683 33 2HG2 THR 16 2HG2 THR 16 23.424 8.452 -24.749 34 3HG2 THR 16 3HG2 THR 16 24.609 7.224 -25.255 35 HA DPR 17 HA DPR 17 22.064 11.561 -21.349 36 1HB DPR 17 2HB DPR 17 19.742 11.560 -19.907 37 2HB DPR 17 3HB DPR 17 21.330 11.588 -19.166 38 1HG DPR 17 2HG DPR 17 19.424 9.339 -19.381 39 2HG DPR 17 3HG DPR 17 20.795 9.518 -18.304 40 1HD DPR 17 2HD DPR 17 20.670 7.900 -20.669 41 2HD DPR 17 3HD DPR 17 22.075 8.170 -19.656 42 H ALA 18 H ALA 18 21.845 10.904 -23.756 43 HA ALA 18 HA ALA 18 19.859 12.342 -24.850 44 1HB ALA 18 1HB ALA 18 20.978 11.653 -26.670 45 2HB ALA 18 2HB ALA 18 21.794 10.408 -25.694 46 3HB ALA 18 3HB ALA 18 20.256 10.033 -26.509 47 H VAL 19 H VAL 19 19.669 8.711 -24.767 48 HA VAL 19 HA VAL 19 16.773 9.044 -24.390 49 HB VAL 19 HB VAL 19 18.364 6.975 -25.912 50 1HG1 VAL 19 1HG1 VAL 19 15.689 6.456 -26.405 51 2HG1 VAL 19 2HG1 VAL 19 16.763 5.510 -25.348 52 3HG1 VAL 19 3HG1 VAL 19 15.725 6.778 -24.655 53 1HG2 VAL 19 1HG2 VAL 19 16.427 7.891 -27.597 54 2HG2 VAL 19 2HG2 VAL 19 16.757 9.352 -26.636 55 3HG2 VAL 19 3HG2 VAL 19 18.079 8.546 -27.513 56 H GLN 20 H GLN 20 15.721 7.635 -22.899 57 HA GLN 20 HA GLN 20 17.603 6.214 -21.180 58 2HB GLN 20 2HB GLN 20 15.039 7.420 -20.116 59 2HG GLN 20 2HG GLN 20 17.775 7.064 -18.818 60 1HE2 GLN 20 1HE2 GLN 20 17.862 7.944 -16.898 61 2HE2 GLN 20 2HE2 GLN 20 16.531 8.491 -15.933 62 H LYS 21 H LYS 21 17.234 4.183 -22.200 63 HA LYS 21 HA LYS 21 14.466 3.223 -22.003 64 2HB LYS 21 2HB LYS 21 15.352 1.486 -23.700 65 2HG LYS 21 2HG LYS 21 15.430 4.015 -25.174 66 2HD LYS 21 2HD LYS 21 13.238 3.128 -26.034 67 2HE LYS 21 2HE LYS 21 15.815 1.671 -26.066 68 1HZ LYS 21 1HZ LYS 21 14.811 -0.298 -27.109 69 2HZ LYS 21 2HZ LYS 21 14.335 -0.189 -25.555 70 H TRP 22 H TRP 22 14.349 2.376 -19.949 71 HA TRP 22 HA TRP 22 16.166 0.144 -19.443 72 2HB TRP 22 2HB TRP 22 16.950 2.274 -18.286 73 HD1 TRP 22 HD TRP 22 13.997 3.422 -18.229 74 HE1 TRP 22 1HE TRP 22 12.849 4.347 -16.039 75 HE3 TRP 22 3HE TRP 22 16.983 0.908 -14.971 76 HZ2 TRP 22 2HZ TRP 22 13.309 3.932 -13.254 77 HZ3 TRP 22 3HZ TRP 22 16.567 1.223 -12.533 78 HH2 TRP 22 HH TRP 22 14.804 2.674 -11.659 79 H HIS 23 H HIS 23 14.592 -1.435 -19.739 80 HA HIS 23 HA HIS 23 12.047 -1.007 -18.382 81 2HB HIS 23 2HB HIS 23 12.186 -1.591 -20.856 82 HD1 HIS 23 1HD HIS 23 13.564 -2.972 -22.406 83 HD2 HIS 23 2HD HIS 23 12.511 -5.087 -18.940 84 HE1 HIS 23 1HE HIS 23 14.509 -5.325 -22.690 85 H PHE 24 H PHE 24 11.081 -3.005 -17.291 86 HA PHE 24 HA PHE 24 13.209 -4.632 -16.104 87 2HB PHE 24 2HB PHE 24 10.987 -2.928 -14.897 88 HD1 PHE 24 1HD PHE 24 13.404 -5.403 -13.485 89 HD2 PHE 24 2HD PHE 24 9.412 -3.966 -13.570 90 HE1 PHE 24 1HE PHE 24 12.784 -7.018 -11.666 91 HE2 PHE 24 2HE PHE 24 8.792 -5.580 -11.752 92 HZ PHE 24 HZ PHE 24 10.486 -7.087 -10.821 93 H VAL 25 H VAL 25 12.817 -6.711 -16.697 94 HA VAL 25 HA VAL 25 10.015 -7.503 -17.018 95 HB VAL 25 HB VAL 25 11.630 -7.718 -18.919 96 1HG1 VAL 25 1HG1 VAL 25 12.849 -10.191 -18.053 97 2HG1 VAL 25 2HG1 VAL 25 13.612 -8.714 -18.690 98 3HG1 VAL 25 3HG1 VAL 25 13.287 -8.866 -16.947 99 1HG2 VAL 25 1HG2 VAL 25 9.946 -9.886 -17.791 100 2HG2 VAL 25 2HG2 VAL 25 9.868 -9.073 -19.371 101 3HG2 VAL 25 3HG2 VAL 25 11.064 -10.361 -19.091 102 H LEU 26 H LEU 26 9.150 -9.254 -15.867 103 HA LEU 26 HA LEU 26 10.880 -10.760 -14.130 104 2HB LEU 26 2HB LEU 26 8.661 -9.213 -12.824 105 HG LEU 26 HG LEU 26 9.989 -9.481 -10.792 106 1HD1 LEU 26 1HD1 LEU 26 9.599 -11.846 -10.407 107 2HD1 LEU 26 2HD1 LEU 26 8.263 -11.145 -11.351 108 3HD1 LEU 26 3HD1 LEU 26 9.498 -12.141 -12.160 109 1HD2 LEU 26 1HD2 LEU 26 12.210 -9.571 -11.924 110 2HD2 LEU 26 2HD2 LEU 26 11.977 -10.816 -10.673 111 3HD2 LEU 26 3HD2 LEU 26 11.852 -11.250 -12.395 112 HA DPR 27 HA DPR 27 7.751 -13.667 -14.744 113 1HB DPR 27 2HB DPR 27 8.748 -15.103 -16.846 114 2HB DPR 27 3HB DPR 27 9.281 -15.329 -15.192 115 1HG DPR 27 2HG DPR 27 10.673 -13.970 -17.418 116 2HG DPR 27 3HG DPR 27 11.338 -14.575 -15.914 117 1HD DPR 27 2HD DPR 27 10.777 -11.838 -16.564 118 2HD DPR 27 3HD DPR 27 11.332 -12.456 -15.021 119 H GLY 28 H GLY 28 5.715 -13.435 -15.395 120 1HA GLY 28 1HA GLY 28 5.244 -13.023 -18.215 121 2HA GLY 28 2HA GLY 28 4.055 -13.231 -16.944 122 H TYR 29 H TYR 29 5.396 -11.093 -15.226 123 HA TYR 29 HA TYR 29 3.888 -8.909 -16.237 124 2HB TYR 29 2HB TYR 29 5.408 -7.888 -14.224 125 HD1 TYR 29 1HD TYR 29 3.718 -7.056 -12.883 126 HD2 TYR 29 2HD TYR 29 3.585 -11.174 -14.037 127 HE1 TYR 29 1HE TYR 29 1.596 -7.377 -11.520 128 HE2 TYR 29 2HE TYR 29 1.463 -11.481 -12.669 129 HH TYR 29 HH TYR 29 0.011 -8.727 -10.954 130 H LYS 30 H LYS 30 4.517 -7.642 -17.913 131 HA LYS 30 HA LYS 30 7.385 -7.021 -18.069 132 2HB LYS 30 2HB LYS 30 7.072 -6.830 -20.516 133 2HG LYS 30 2HG LYS 30 6.085 -9.532 -19.506 134 2HD LYS 30 2HD LYS 30 8.124 -9.850 -21.403 135 2HE LYS 30 2HE LYS 30 5.545 -9.831 -22.722 136 1HZ LYS 30 1HZ LYS 30 7.668 -11.587 -22.210 137 2HZ LYS 30 2HZ LYS 30 6.305 -12.359 -21.762 138 H CYS 31 H CYS 31 7.913 -4.908 -17.839 139 HA CYS 31 HA CYS 31 5.771 -2.974 -18.323 140 2HB CYS 31 2HB CYS 31 7.515 -3.254 -15.895 141 H GLU 32 H GLU 32 6.441 -1.494 -19.842 142 HA GLU 32 HA GLU 32 9.328 -1.196 -20.143 143 2HB GLU 32 2HB GLU 32 8.161 -0.285 -22.522 144 2HG GLU 32 2HG GLU 32 10.087 -2.124 -21.749 145 HE2 GLU 32 HE GLU 32 8.773 -3.811 -20.676 146 H ILE 33 H ILE 33 10.204 0.878 -20.086 147 HA ILE 33 HA ILE 33 8.267 3.077 -19.943 148 HB ILE 33 HB ILE 33 10.615 2.542 -18.129 149 2HG1 ILE 33 2HG1 ILE 33 8.395 1.395 -17.689 150 1HG2 ILE 33 1HG2 ILE 33 9.203 5.072 -18.801 151 2HG2 ILE 33 2HG2 ILE 33 9.566 4.767 -17.085 152 3HG2 ILE 33 3HG2 ILE 33 10.882 4.790 -18.284 153 1HD1 ILE 33 1HD1 ILE 33 9.563 1.420 -15.709 154 2HD1 ILE 33 2HD1 ILE 33 9.948 3.152 -15.843 155 3HD1 ILE 33 3HD1 ILE 33 8.348 2.640 -15.256 156 H LEU 34 H LEU 34 8.766 4.861 -21.167 157 HA LEU 34 HA LEU 34 11.344 4.717 -22.568 158 2HB LEU 34 2HB LEU 34 9.979 6.247 -24.208 159 HG LEU 34 HG LEU 34 9.140 4.339 -25.483 160 1HD1 LEU 34 1HD1 LEU 34 11.524 4.911 -25.599 161 2HD1 LEU 34 2HD1 LEU 34 11.858 3.780 -24.267 162 3HD1 LEU 34 3HD1 LEU 34 11.247 3.168 -25.822 163 1HD2 LEU 34 1HD2 LEU 34 8.536 2.386 -24.603 164 2HD2 LEU 34 2HD2 LEU 34 10.079 2.213 -23.731 165 3HD2 LEU 34 3HD2 LEU 34 8.745 3.142 -23.005 166 H ALA 35 H ALA 35 12.078 7.007 -23.335 167 HA ALA 35 HA ALA 35 11.625 8.853 -21.090 168 1HB ALA 35 1HB ALA 35 14.133 9.162 -22.599 169 2HB ALA 35 2HB ALA 35 13.861 9.068 -20.842 170 3HB ALA 35 3HB ALA 35 13.983 7.576 -21.806 171 H THR 12 H THR 12 -7.821 -0.898 -19.208 172 HA THR 12 HA THR 12 -9.740 -0.275 -17.059 173 HB THR 12 HB THR 12 -10.067 -1.539 -19.817 174 HG1 THR 12 1HG THR 12 -12.005 0.174 -18.871 175 1HG2 THR 12 1HG2 THR 12 -11.306 -2.948 -18.113 176 2HG2 THR 12 2HG2 THR 12 -12.110 -1.469 -17.535 177 3HG2 THR 12 3HG2 THR 12 -12.399 -2.050 -19.192 178 H ALA 13 H ALA 13 -10.561 -2.082 -15.822 179 HA ALA 13 HA ALA 13 -8.665 -4.330 -15.844 180 1HB ALA 13 1HB ALA 13 -9.789 -2.639 -13.621 181 2HB ALA 13 2HB ALA 13 -9.404 -4.347 -13.302 182 3HB ALA 13 3HB ALA 13 -8.131 -3.238 -13.863 183 H LEU 14 H LEU 14 -9.968 -5.654 -17.187 184 HA LEU 14 HA LEU 14 -12.504 -6.432 -15.923 185 2HB LEU 14 2HB LEU 14 -12.141 -6.728 -18.859 186 HG LEU 14 HG LEU 14 -14.250 -7.444 -17.707 187 1HD1 LEU 14 1HD1 LEU 14 -14.729 -6.009 -15.991 188 2HD1 LEU 14 2HD1 LEU 14 -14.241 -4.564 -16.907 189 3HD1 LEU 14 3HD1 LEU 14 -15.798 -5.353 -17.254 190 1HD2 LEU 14 1HD2 LEU 14 -13.886 -6.181 -20.139 191 2HD2 LEU 14 2HD2 LEU 14 -15.334 -7.080 -19.621 192 3HD2 LEU 14 3HD2 LEU 14 -15.266 -5.312 -19.426 193 H ASN 15 H ASN 15 -13.162 -8.739 -16.649 194 HA ASN 15 HA ASN 15 -10.717 -10.323 -16.592 195 2HB ASN 15 2HB ASN 15 -13.534 -10.913 -15.549 196 1HD2 ASN 15 1HD2 ASN 15 -14.017 -12.932 -14.940 197 2HD2 ASN 15 2HD2 ASN 15 -13.030 -14.330 -15.207 198 H THR 16 H THR 16 -10.408 -11.764 -18.324 199 HA THR 16 HA THR 16 -12.699 -12.123 -20.145 200 HB THR 16 HB THR 16 -9.698 -11.796 -20.635 201 HG1 THR 16 1HG THR 16 -10.824 -9.817 -20.604 202 1HG2 THR 16 1HG2 THR 16 -11.951 -12.652 -22.520 203 2HG2 THR 16 2HG2 THR 16 -10.431 -11.923 -23.095 204 3HG2 THR 16 3HG2 THR 16 -10.403 -13.487 -22.245 205 HA DPR 17 HA DPR 17 -12.306 -16.365 -19.654 206 1HB DPR 17 2HB DPR 17 -14.177 -16.917 -17.740 207 2HB DPR 17 3HB DPR 17 -14.581 -16.634 -19.422 208 1HG DPR 17 2HG DPR 17 -14.938 -14.838 -17.101 209 2HG DPR 17 3HG DPR 17 -15.701 -14.760 -18.677 210 1HD DPR 17 2HD DPR 17 -13.550 -13.115 -17.730 211 2HD DPR 17 3HD DPR 17 -14.236 -13.118 -19.342 212 H ALA 18 H ALA 18 -10.689 -17.582 -18.926 213 HA ALA 18 HA ALA 18 -10.355 -17.807 -16.103 214 1HB ALA 18 1HB ALA 18 -8.736 -19.459 -16.657 215 2HB ALA 18 2HB ALA 18 -9.988 -19.593 -17.916 216 3HB ALA 18 3HB ALA 18 -8.456 -18.758 -18.269 217 H VAL 19 H VAL 19 -8.180 -16.641 -18.781 218 HA VAL 19 HA VAL 19 -6.692 -15.141 -16.775 219 HB VAL 19 HB VAL 19 -5.567 -16.664 -18.396 220 1HG1 VAL 19 1HG1 VAL 19 -6.467 -16.588 -20.476 221 2HG1 VAL 19 2HG1 VAL 19 -6.955 -14.882 -20.322 222 3HG1 VAL 19 3HG1 VAL 19 -5.267 -15.294 -20.713 223 1HG2 VAL 19 1HG2 VAL 19 -3.841 -15.366 -17.836 224 2HG2 VAL 19 2HG2 VAL 19 -4.177 -14.380 -19.278 225 3HG2 VAL 19 3HG2 VAL 19 -4.890 -13.936 -17.710 226 H GLN 20 H GLN 20 -6.415 -12.870 -16.878 227 HA GLN 20 HA GLN 20 -8.313 -11.586 -18.687 228 2HB GLN 20 2HB GLN 20 -8.997 -11.512 -16.275 229 2HG GLN 20 2HG GLN 20 -7.207 -9.433 -15.403 230 1HE2 GLN 20 1HE2 GLN 20 -5.913 -12.424 -14.629 231 2HE2 GLN 20 2HE2 GLN 20 -6.799 -12.782 -13.185 232 H LYS 21 H LYS 21 -7.709 -9.129 -19.000 233 HA LYS 21 HA LYS 21 -4.784 -8.943 -19.206 234 2HB LYS 21 2HB LYS 21 -6.513 -7.579 -21.224 235 2HG LYS 21 2HG LYS 21 -3.714 -8.350 -20.828 236 2HD LYS 21 2HD LYS 21 -4.986 -10.024 -22.660 237 2HE LYS 21 2HE LYS 21 -5.153 -7.758 -24.046 238 1HZ LYS 21 1HZ LYS 21 -3.079 -6.915 -24.320 239 2HZ LYS 21 2HZ LYS 21 -2.313 -8.303 -23.953 240 H TRP 22 H TRP 22 -3.850 -7.012 -18.556 241 HA TRP 22 HA TRP 22 -5.750 -4.997 -17.565 242 2HB TRP 22 2HB TRP 22 -4.366 -4.585 -15.698 243 HD1 TRP 22 HD TRP 22 -3.636 -8.349 -16.415 244 HE1 TRP 22 1HE TRP 22 -4.959 -9.889 -14.730 245 HE3 TRP 22 3HE TRP 22 -6.182 -4.576 -14.149 246 HZ2 TRP 22 2HZ TRP 22 -6.880 -9.368 -12.684 247 HZ3 TRP 22 3HZ TRP 22 -7.762 -5.177 -12.317 248 HH2 TRP 22 HH TRP 22 -8.130 -7.477 -11.577 249 H HIS 23 H HIS 23 -5.231 -2.822 -18.053 250 HA HIS 23 HA HIS 23 -2.813 -2.466 -19.661 251 2HB HIS 23 2HB HIS 23 -5.038 -0.756 -20.475 252 HD1 HIS 23 1HD HIS 23 -4.461 -3.607 -22.709 253 HD2 HIS 23 2HD HIS 23 -2.572 0.049 -21.897 254 HE1 HIS 23 1HE HIS 23 -2.901 -3.156 -24.677 255 H PHE 24 H PHE 24 -1.506 -1.193 -18.441 256 HA PHE 24 HA PHE 24 -2.795 1.087 -17.114 257 2HB PHE 24 2HB PHE 24 -0.399 -0.669 -16.305 258 HD1 PHE 24 1HD PHE 24 -2.795 1.307 -14.285 259 HD2 PHE 24 2HD PHE 24 1.224 0.875 -15.578 260 HE1 PHE 24 1HE PHE 24 -2.075 3.048 -12.628 261 HE2 PHE 24 2HE PHE 24 1.944 2.616 -13.920 262 HZ PHE 24 HZ PHE 24 0.286 3.682 -12.465 263 H VAL 25 H VAL 25 -2.353 2.571 -18.802 264 HA VAL 25 HA VAL 25 0.514 2.969 -19.320 265 HB VAL 25 HB VAL 25 -0.814 2.235 -21.262 266 1HG1 VAL 25 1HG1 VAL 25 -2.283 4.880 -21.037 267 2HG1 VAL 25 2HG1 VAL 25 -2.552 3.578 -22.222 268 3HG1 VAL 25 3HG1 VAL 25 -2.960 3.321 -20.508 269 1HG2 VAL 25 1HG2 VAL 25 0.669 3.389 -22.461 270 2HG2 VAL 25 2HG2 VAL 25 -0.312 4.864 -22.289 271 3HG2 VAL 25 3HG2 VAL 25 0.933 4.477 -21.077 272 H LEU 26 H LEU 26 1.370 4.764 -18.416 273 HA LEU 26 HA LEU 26 -0.503 6.947 -17.815 274 2HB LEU 26 2HB LEU 26 1.489 7.338 -16.042 275 HG LEU 26 HG LEU 26 0.160 6.144 -14.316 276 1HD1 LEU 26 1HD1 LEU 26 -0.523 8.330 -14.519 277 2HD1 LEU 26 2HD1 LEU 26 -1.081 8.121 -16.197 278 3HD1 LEU 26 3HD1 LEU 26 -2.041 7.460 -14.851 279 1HD2 LEU 26 1HD2 LEU 26 -1.327 4.551 -14.769 280 2HD2 LEU 26 2HD2 LEU 26 -2.124 5.540 -16.016 281 3HD2 LEU 26 3HD2 LEU 26 -0.698 4.562 -16.434 282 HA DPR 27 HA DPR 27 2.117 9.456 -20.150 283 1HB DPR 27 2HB DPR 27 1.037 9.335 -22.657 284 2HB DPR 27 3HB DPR 27 0.366 10.319 -21.371 285 1HG DPR 27 2HG DPR 27 -0.633 7.759 -22.458 286 2HG DPR 27 3HG DPR 27 -1.486 8.952 -21.498 287 1HD DPR 27 2HD DPR 27 -0.440 6.443 -20.583 288 2HD DPR 27 3HD DPR 27 -1.190 7.686 -19.601 289 H GLY 28 H GLY 28 4.210 8.875 -20.198 290 1HA GLY 28 1HA GLY 28 5.065 7.516 -22.589 291 2HA GLY 28 2HA GLY 28 6.064 8.156 -21.300 292 H TYR 29 H TYR 29 4.530 6.741 -19.134 293 HA TYR 29 HA TYR 29 6.024 4.328 -19.189 294 2HB TYR 29 2HB TYR 29 4.207 4.119 -17.122 295 HD1 TYR 29 1HD TYR 29 6.510 6.998 -17.878 296 HD2 TYR 29 2HD TYR 29 5.615 3.667 -15.347 297 HE1 TYR 29 1HE TYR 29 8.559 7.514 -16.462 298 HE2 TYR 29 2HE TYR 29 7.667 4.193 -13.941 299 HH TYR 29 HH TYR 29 9.277 5.594 -13.566 300 H LYS 30 H LYS 30 5.468 2.672 -20.538 301 HA LYS 30 HA LYS 30 2.611 1.984 -20.617 302 2HB LYS 30 2HB LYS 30 4.634 1.460 -22.808 303 2HG LYS 30 2HG LYS 30 1.683 1.036 -22.395 304 2HD LYS 30 2HD LYS 30 2.614 1.175 -25.231 305 2HE LYS 30 2HE LYS 30 0.118 2.520 -24.329 306 1HZ LYS 30 1HZ LYS 30 0.348 0.247 -26.188 307 2HZ LYS 30 2HZ LYS 30 -0.679 1.509 -26.254 308 H CYS 31 H CYS 31 2.529 0.494 -18.949 309 HA CYS 31 HA CYS 31 4.351 -1.780 -19.273 310 2HB CYS 31 2HB CYS 31 4.268 -2.148 -16.892 311 H GLU 32 H GLU 32 3.333 -3.757 -19.586 312 HA GLU 32 HA GLU 32 0.435 -3.719 -19.250 313 2HB GLU 32 2HB GLU 32 1.492 -5.850 -20.982 314 2HG GLU 32 2HG GLU 32 -0.484 -3.549 -21.345 315 HE2 GLU 32 HE GLU 32 0.612 -4.590 -24.627 316 H ILE 33 H ILE 33 -0.574 -5.447 -18.148 317 HA ILE 33 HA ILE 33 1.305 -7.329 -16.899 318 HB ILE 33 HB ILE 33 -1.146 -5.971 -15.784 319 2HG1 ILE 33 2HG1 ILE 33 0.504 -5.291 -14.007 320 1HG2 ILE 33 1HG2 ILE 33 -1.017 -7.339 -13.843 321 2HG2 ILE 33 2HG2 ILE 33 -1.068 -8.429 -15.249 322 3HG2 ILE 33 3HG2 ILE 33 0.473 -8.127 -14.412 323 1HD1 ILE 33 1HD1 ILE 33 2.653 -5.867 -16.053 324 2HD1 ILE 33 2HD1 ILE 33 2.814 -5.567 -14.307 325 3HD1 ILE 33 3HD1 ILE 33 2.193 -7.131 -14.887 326 H LEU 34 H LEU 34 1.139 -9.148 -18.145 327 HA LEU 34 HA LEU 34 -1.600 -10.107 -18.613 328 2HB LEU 34 2HB LEU 34 -0.418 -9.373 -20.658 329 HG LEU 34 HG LEU 34 1.521 -11.543 -19.885 330 1HD1 LEU 34 1HD1 LEU 34 1.385 -12.462 -21.906 331 2HD1 LEU 34 2HD1 LEU 34 0.303 -11.178 -22.500 332 3HD1 LEU 34 3HD1 LEU 34 2.068 -10.948 -22.547 333 1HD2 LEU 34 1HD2 LEU 34 1.634 -8.714 -20.108 334 2HD2 LEU 34 2HD2 LEU 34 2.942 -9.853 -19.709 335 3HD2 LEU 34 3HD2 LEU 34 2.645 -9.399 -21.404 336 H ALA 35 H ALA 35 -2.122 -12.069 -17.760 337 HA ALA 35 HA ALA 35 0.120 -13.607 -16.636 338 1HB ALA 35 1HB ALA 35 -2.151 -12.448 -15.377 339 2HB ALA 35 2HB ALA 35 -2.424 -14.206 -15.407 340 3HB ALA 35 3HB ALA 35 -0.948 -13.546 -14.663
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