NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21838 | 2i9h | 6912 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 0.418 12.174 4.799 2 2H MET 1 2H MET 1 0.111 13.534 3.799 3 3H MET 1 3H MET 1 0.527 12.026 3.095 4 HA MET 1 HA MET 1 -1.869 12.455 4.737 5 1HB MET 1 1HB MET 1 -3.078 12.592 2.589 6 2HB MET 1 2HB MET 1 -1.949 13.923 2.795 7 1HG MET 1 1HG MET 1 -0.346 12.788 1.342 8 2HG MET 1 2HG MET 1 -1.486 11.460 1.130 9 1HE MET 1 1HE MET 1 -0.143 12.697 -1.136 10 2HE MET 1 2HE MET 1 -1.234 13.499 -2.268 11 3HE MET 1 3HE MET 1 -1.548 11.839 -1.766 12 H VAL 2 H VAL 2 -3.554 10.843 3.525 13 HA VAL 2 HA VAL 2 -2.465 8.368 2.636 14 HB VAL 2 HB VAL 2 -1.897 8.269 5.063 15 1HG1 VAL 2 1HG1 VAL 2 -4.890 8.366 5.383 16 2HG1 VAL 2 2HG1 VAL 2 -3.696 9.478 6.051 17 3HG1 VAL 2 3HG1 VAL 2 -3.784 7.818 6.641 18 1HG2 VAL 2 1HG2 VAL 2 -3.962 6.175 4.588 19 2HG2 VAL 2 2HG2 VAL 2 -2.325 6.025 5.226 20 3HG2 VAL 2 3HG2 VAL 2 -2.578 6.285 3.500 21 H THR 3 H THR 3 -4.012 7.195 1.597 22 HA THR 3 HA THR 3 -6.816 7.568 2.265 23 HB THR 3 HB THR 3 -5.728 8.239 -0.476 24 HG1 THR 3 HG1 THR 3 -6.515 10.311 0.021 25 1HG2 THR 3 1HG2 THR 3 -8.559 8.167 0.530 26 2HG2 THR 3 2HG2 THR 3 -7.861 7.218 -0.780 27 3HG2 THR 3 3HG2 THR 3 -8.051 8.963 -0.958 28 H GLN 4 H GLN 4 -8.235 6.094 1.057 29 HA GLN 4 HA GLN 4 -6.848 3.564 0.478 30 1HB GLN 4 1HB GLN 4 -9.791 3.997 1.003 31 2HB GLN 4 2HB GLN 4 -8.929 2.465 0.981 32 1HG GLN 4 1HG GLN 4 -7.677 3.141 2.966 33 2HG GLN 4 2HG GLN 4 -8.543 4.672 2.991 34 1HE2 GLN 4 1HE2 GLN 4 -10.726 2.431 1.956 35 2HE2 GLN 4 2HE2 GLN 4 -11.435 2.006 3.470 36 H PHE 5 H PHE 5 -8.631 2.204 -1.006 37 HA PHE 5 HA PHE 5 -9.322 3.896 -3.291 38 1HB PHE 5 1HB PHE 5 -7.631 1.399 -3.434 39 2HB PHE 5 2HB PHE 5 -8.416 2.130 -4.840 40 HD1 PHE 5 HD1 PHE 5 -7.992 5.017 -4.130 41 HD2 PHE 5 HD2 PHE 5 -5.375 1.658 -3.995 42 HE1 PHE 5 HE1 PHE 5 -6.065 6.512 -4.475 43 HE2 PHE 5 HE2 PHE 5 -3.448 3.152 -4.338 44 HZ PHE 5 HZ PHE 5 -3.792 5.575 -4.581 45 H LYS 6 H LYS 6 -11.243 3.482 -4.113 46 HA LYS 6 HA LYS 6 -12.573 0.966 -3.352 47 1HB LYS 6 1HB LYS 6 -13.792 3.666 -3.965 48 2HB LYS 6 2HB LYS 6 -14.704 2.205 -3.609 49 1HG LYS 6 1HG LYS 6 -12.795 3.589 -1.735 50 2HG LYS 6 2HG LYS 6 -14.557 3.664 -1.666 51 1HD LYS 6 1HD LYS 6 -14.639 1.242 -1.299 52 2HD LYS 6 2HD LYS 6 -12.877 1.176 -1.358 53 1HE LYS 6 1HE LYS 6 -12.759 2.648 0.592 54 2HE LYS 6 2HE LYS 6 -14.520 2.714 0.651 55 1HZ LYS 6 1HZ LYS 6 -14.530 0.303 1.007 56 2HZ LYS 6 2HZ LYS 6 -13.700 1.119 2.233 57 3HZ LYS 6 3HZ LYS 6 -12.838 0.296 1.032 58 H THR 7 H THR 7 -11.719 3.115 -5.953 59 HA THR 7 HA THR 7 -12.796 1.156 -7.864 60 HB THR 7 HB THR 7 -13.281 3.022 -9.417 61 HG1 THR 7 HG1 THR 7 -12.714 4.982 -8.952 62 1HG2 THR 7 1HG2 THR 7 -14.653 3.447 -6.775 63 2HG2 THR 7 2HG2 THR 7 -15.078 2.195 -7.941 64 3HG2 THR 7 3HG2 THR 7 -15.250 3.896 -8.371 65 H ALA 8 H ALA 8 -11.388 0.461 -9.369 66 HA ALA 8 HA ALA 8 -8.658 0.921 -9.129 67 1HB ALA 8 1HB ALA 8 -8.678 -0.030 -11.583 68 2HB ALA 8 2HB ALA 8 -10.371 -0.345 -11.208 69 3HB ALA 8 3HB ALA 8 -9.101 -1.050 -10.209 70 H SER 9 H SER 9 -11.054 2.721 -10.857 71 HA SER 9 HA SER 9 -9.434 4.007 -12.745 72 1HB SER 9 1HB SER 9 -11.882 4.144 -12.805 73 2HB SER 9 2HB SER 9 -11.878 5.068 -11.303 74 HG SER 9 HG SER 9 -10.564 5.899 -13.674 75 H GLU 10 H GLU 10 -9.526 4.273 -9.335 76 HA GLU 10 HA GLU 10 -8.335 6.902 -9.286 77 1HB GLU 10 1HB GLU 10 -9.021 5.006 -7.049 78 2HB GLU 10 2HB GLU 10 -8.390 6.631 -6.827 79 1HG GLU 10 1HG GLU 10 -10.373 7.554 -7.904 80 2HG GLU 10 2HG GLU 10 -11.005 5.926 -8.139 81 H PHE 11 H PHE 11 -7.509 3.821 -7.812 82 HA PHE 11 HA PHE 11 -4.862 4.350 -7.205 83 1HB PHE 11 1HB PHE 11 -6.229 2.369 -6.462 84 2HB PHE 11 2HB PHE 11 -5.947 1.655 -8.045 85 HD1 PHE 11 HD1 PHE 11 -5.141 -0.165 -6.325 86 HD2 PHE 11 HD2 PHE 11 -3.078 3.470 -7.134 87 HE1 PHE 11 HE1 PHE 11 -3.055 -1.163 -5.486 88 HE2 PHE 11 HE2 PHE 11 -0.991 2.473 -6.308 89 HZ PHE 11 HZ PHE 11 -0.978 0.157 -5.481 90 H ASP 12 H ASP 12 -6.305 3.480 -10.257 91 HA ASP 12 HA ASP 12 -4.110 2.528 -11.662 92 1HB ASP 12 1HB ASP 12 -6.403 2.518 -12.550 93 2HB ASP 12 2HB ASP 12 -6.358 4.272 -12.696 94 H SER 13 H SER 13 -5.010 5.828 -10.865 95 HA SER 13 HA SER 13 -2.936 6.985 -12.509 96 1HB SER 13 1HB SER 13 -3.672 9.126 -11.518 97 2HB SER 13 2HB SER 13 -5.025 8.208 -12.174 98 HG SER 13 HG SER 13 -5.662 7.681 -10.138 99 H ALA 14 H ALA 14 -3.459 6.275 -9.105 100 HA ALA 14 HA ALA 14 -1.459 7.658 -7.863 101 1HB ALA 14 1HB ALA 14 -1.927 6.376 -6.088 102 2HB ALA 14 2HB ALA 14 -1.610 4.877 -6.961 103 3HB ALA 14 3HB ALA 14 -3.175 5.676 -7.119 104 H ILE 15 H ILE 15 -1.104 4.485 -9.444 105 HA ILE 15 HA ILE 15 1.732 4.417 -8.992 106 HB ILE 15 HB ILE 15 1.728 2.389 -10.356 107 1HG1 ILE 15 1HG1 ILE 15 -1.202 3.031 -10.773 108 2HG1 ILE 15 2HG1 ILE 15 0.045 2.951 -12.013 109 1HG2 ILE 15 1HG2 ILE 15 1.113 2.397 -7.932 110 2HG2 ILE 15 2HG2 ILE 15 0.498 1.020 -8.847 111 3HG2 ILE 15 3HG2 ILE 15 -0.580 2.351 -8.425 112 1HD1 ILE 15 1HD1 ILE 15 -1.424 0.977 -11.970 113 2HD1 ILE 15 2HD1 ILE 15 -0.850 0.617 -10.342 114 3HD1 ILE 15 3HD1 ILE 15 0.274 0.583 -11.701 115 H ALA 16 H ALA 16 -0.311 4.839 -11.877 116 HA ALA 16 HA ALA 16 1.482 5.006 -13.875 117 1HB ALA 16 1HB ALA 16 -0.130 6.012 -15.105 118 2HB ALA 16 2HB ALA 16 -0.487 7.211 -13.861 119 3HB ALA 16 3HB ALA 16 -1.116 5.571 -13.710 120 H GLN 17 H GLN 17 3.498 5.785 -13.442 121 HA GLN 17 HA GLN 17 5.175 7.271 -12.988 122 1HB GLN 17 1HB GLN 17 3.310 9.028 -14.591 123 2HB GLN 17 2HB GLN 17 5.015 9.348 -14.310 124 1HG GLN 17 1HG GLN 17 5.603 7.302 -15.503 125 2HG GLN 17 2HG GLN 17 3.888 6.975 -15.782 126 1HE2 GLN 17 1HE2 GLN 17 6.589 8.108 -17.193 127 2HE2 GLN 17 2HE2 GLN 17 5.900 9.153 -18.383 128 H ASP 18 H ASP 18 4.929 7.442 -10.716 129 HA ASP 18 HA ASP 18 4.504 10.088 -9.816 130 1HB ASP 18 1HB ASP 18 2.131 9.164 -10.089 131 2HB ASP 18 2HB ASP 18 2.500 8.130 -8.711 132 H LYS 19 H LYS 19 6.630 8.275 -9.629 133 HA LYS 19 HA LYS 19 8.202 7.615 -8.119 134 1HB LYS 19 1HB LYS 19 6.343 8.972 -6.183 135 2HB LYS 19 2HB LYS 19 7.965 8.440 -5.788 136 1HG LYS 19 1HG LYS 19 8.095 10.756 -6.185 137 2HG LYS 19 2HG LYS 19 8.797 9.963 -7.596 138 1HD LYS 19 1HD LYS 19 6.790 10.332 -8.869 139 2HD LYS 19 2HD LYS 19 5.953 10.958 -7.448 140 1HE LYS 19 1HE LYS 19 7.527 12.831 -7.359 141 2HE LYS 19 2HE LYS 19 8.361 12.197 -8.778 142 1HZ LYS 19 1HZ LYS 19 5.840 13.625 -8.594 143 2HZ LYS 19 2HZ LYS 19 5.870 12.341 -9.694 144 3HZ LYS 19 3HZ LYS 19 6.986 13.604 -9.839 145 H LEU 20 H LEU 20 7.742 6.731 -5.421 146 HA LEU 20 HA LEU 20 6.588 4.126 -6.045 147 1HB LEU 20 1HB LEU 20 8.859 4.182 -5.141 148 2HB LEU 20 2HB LEU 20 8.281 5.044 -3.717 149 HG LEU 20 HG LEU 20 6.898 3.063 -3.135 150 1HD1 LEU 20 1HD1 LEU 20 7.499 2.284 -5.764 151 2HD1 LEU 20 2HD1 LEU 20 6.575 1.397 -4.553 152 3HD1 LEU 20 3HD1 LEU 20 8.310 1.131 -4.705 153 1HD2 LEU 20 1HD2 LEU 20 9.864 3.020 -3.290 154 2HD2 LEU 20 2HD2 LEU 20 9.035 1.552 -2.771 155 3HD2 LEU 20 3HD2 LEU 20 8.803 3.058 -1.882 156 H VAL 21 H VAL 21 4.563 3.786 -5.510 157 HA VAL 21 HA VAL 21 3.376 5.243 -3.263 158 HB VAL 21 HB VAL 21 2.023 3.601 -5.411 159 1HG1 VAL 21 1HG1 VAL 21 0.776 3.705 -3.291 160 2HG1 VAL 21 2HG1 VAL 21 -0.049 4.553 -4.599 161 3HG1 VAL 21 3HG1 VAL 21 0.824 5.466 -3.368 162 1HG2 VAL 21 1HG2 VAL 21 1.207 6.123 -5.860 163 2HG2 VAL 21 2HG2 VAL 21 2.597 5.392 -6.661 164 3HG2 VAL 21 3HG2 VAL 21 2.836 6.432 -5.258 165 H VAL 22 H VAL 22 2.921 4.243 -1.400 166 HA VAL 22 HA VAL 22 3.312 1.342 -1.265 167 HB VAL 22 HB VAL 22 3.136 3.340 0.997 168 1HG1 VAL 22 1HG1 VAL 22 2.493 0.995 1.550 169 2HG1 VAL 22 2HG1 VAL 22 3.913 1.576 2.421 170 3HG1 VAL 22 3HG1 VAL 22 4.105 0.486 1.048 171 1HG2 VAL 22 1HG2 VAL 22 5.136 3.325 -0.735 172 2HG2 VAL 22 2HG2 VAL 22 5.666 1.969 0.258 173 3HG2 VAL 22 3HG2 VAL 22 5.409 3.551 0.992 174 H VAL 23 H VAL 23 1.337 0.609 -2.011 175 HA VAL 23 HA VAL 23 -1.058 1.434 -0.536 176 HB VAL 23 HB VAL 23 -0.877 -0.247 -3.039 177 1HG1 VAL 23 1HG1 VAL 23 -2.912 -0.669 -1.818 178 2HG1 VAL 23 2HG1 VAL 23 -3.282 0.301 -3.244 179 3HG1 VAL 23 3HG1 VAL 23 -3.215 1.061 -1.655 180 1HG2 VAL 23 1HG2 VAL 23 -0.879 2.666 -2.601 181 2HG2 VAL 23 2HG2 VAL 23 -1.980 2.075 -3.842 182 3HG2 VAL 23 3HG2 VAL 23 -0.258 1.721 -3.953 183 H ASP 24 H ASP 24 -2.080 0.116 0.829 184 HA ASP 24 HA ASP 24 -0.986 -2.579 1.201 185 1HB ASP 24 1HB ASP 24 -0.921 -1.084 3.157 186 2HB ASP 24 2HB ASP 24 -2.677 -0.887 3.061 187 H PHE 25 H PHE 25 -2.182 -4.340 0.742 188 HA PHE 25 HA PHE 25 -4.944 -3.950 -0.106 189 1HB PHE 25 1HB PHE 25 -2.889 -6.109 -0.561 190 2HB PHE 25 2HB PHE 25 -4.584 -6.326 -0.988 191 HD1 PHE 25 HD1 PHE 25 -2.137 -3.525 -1.422 192 HD2 PHE 25 HD2 PHE 25 -4.905 -6.205 -3.214 193 HE1 PHE 25 HE1 PHE 25 -1.678 -2.514 -3.613 194 HE2 PHE 25 HE2 PHE 25 -4.472 -5.186 -5.407 195 HZ PHE 25 HZ PHE 25 -2.860 -3.335 -5.613 196 H TYR 26 H TYR 26 -4.815 -3.740 2.529 197 HA TYR 26 HA TYR 26 -4.826 -5.961 4.147 198 1HB TYR 26 1HB TYR 26 -6.500 -4.633 5.549 199 2HB TYR 26 2HB TYR 26 -4.962 -3.852 5.197 200 HD1 TYR 26 HD1 TYR 26 -8.299 -4.146 3.501 201 HD2 TYR 26 HD2 TYR 26 -5.125 -1.596 4.739 202 HE1 TYR 26 HE1 TYR 26 -9.478 -2.222 2.545 203 HE2 TYR 26 HE2 TYR 26 -6.304 0.319 3.833 204 HH TYR 26 HH TYR 26 -8.131 0.607 1.861 205 H ALA 27 H ALA 27 -6.266 -7.546 4.693 206 HA ALA 27 HA ALA 27 -8.209 -8.278 2.773 207 1HB ALA 27 1HB ALA 27 -8.894 -9.978 4.506 208 2HB ALA 27 2HB ALA 27 -7.657 -9.285 5.554 209 3HB ALA 27 3HB ALA 27 -7.201 -10.023 4.019 210 H THR 28 H THR 28 -10.420 -8.117 2.784 211 HA THR 28 HA THR 28 -11.579 -5.898 3.999 212 HB THR 28 HB THR 28 -12.574 -6.807 2.037 213 HG1 THR 28 HG1 THR 28 -14.352 -7.359 4.174 214 1HG2 THR 28 1HG2 THR 28 -13.758 -8.960 2.015 215 2HG2 THR 28 2HG2 THR 28 -13.100 -9.316 3.612 216 3HG2 THR 28 3HG2 THR 28 -12.018 -9.143 2.230 217 H TRP 29 H TRP 29 -10.898 -8.981 5.261 218 HA TRP 29 HA TRP 29 -12.726 -8.609 7.524 219 1HB TRP 29 1HB TRP 29 -12.125 -11.072 7.971 220 2HB TRP 29 2HB TRP 29 -13.123 -10.731 6.552 221 HD1 TRP 29 HD1 TRP 29 -11.731 -10.664 4.138 222 HE1 TRP 29 HE1 TRP 29 -9.765 -12.129 3.365 223 HE3 TRP 29 HE3 TRP 29 -10.139 -12.382 8.693 224 HZ2 TRP 29 HZ2 TRP 29 -7.800 -13.776 4.520 225 HZ3 TRP 29 HZ3 TRP 29 -8.207 -13.884 8.770 226 HH2 TRP 29 HH2 TRP 29 -7.061 -14.577 6.725 227 H CYS 30 H CYS 30 -10.577 -10.768 8.621 228 HA CYS 30 HA CYS 30 -8.874 -10.765 10.098 229 1HB CYS 30 1HB CYS 30 -7.506 -10.027 8.278 230 2HB CYS 30 2HB CYS 30 -8.101 -8.377 8.428 231 HG CYS 30 HG CYS 30 -6.341 -9.595 10.682 232 H GLY 31 H GLY 31 -8.076 -9.724 12.031 233 1HA GLY 31 1HA GLY 31 -10.065 -7.934 13.166 234 2HA GLY 31 2HA GLY 31 -8.774 -8.747 14.037 235 HA PRO 32 HA PRO 32 -6.527 -4.957 14.084 236 1HB PRO 32 1HB PRO 32 -3.957 -5.794 14.089 237 2HB PRO 32 2HB PRO 32 -5.029 -6.020 15.477 238 1HG PRO 32 1HG PRO 32 -4.252 -7.975 13.347 239 2HG PRO 32 2HG PRO 32 -4.382 -8.221 15.098 240 1HD PRO 32 1HD PRO 32 -6.319 -8.982 13.346 241 2HD PRO 32 2HD PRO 32 -6.665 -8.490 15.016 242 H CYS 33 H CYS 33 -7.479 -5.057 11.643 243 HA CYS 33 HA CYS 33 -5.198 -4.845 9.794 244 1HB CYS 33 1HB CYS 33 -6.858 -5.055 7.986 245 2HB CYS 33 2HB CYS 33 -6.912 -6.436 9.088 246 HG CYS 33 HG CYS 33 -9.271 -4.943 8.356 247 H LYS 34 H LYS 34 -7.653 -3.053 11.417 248 HA LYS 34 HA LYS 34 -7.531 -0.792 9.610 249 1HB LYS 34 1HB LYS 34 -8.892 -1.101 12.292 250 2HB LYS 34 2HB LYS 34 -9.069 0.280 11.217 251 1HG LYS 34 1HG LYS 34 -10.060 -1.169 9.517 252 2HG LYS 34 2HG LYS 34 -9.889 -2.552 10.600 253 1HD LYS 34 1HD LYS 34 -11.358 -1.452 12.226 254 2HD LYS 34 2HD LYS 34 -11.536 -0.080 11.130 255 1HE LYS 34 1HE LYS 34 -13.453 -1.579 10.975 256 2HE LYS 34 2HE LYS 34 -12.556 -1.536 9.458 257 1HZ LYS 34 1HZ LYS 34 -11.541 -3.599 11.089 258 2HZ LYS 34 2HZ LYS 34 -12.282 -3.716 9.572 259 3HZ LYS 34 3HZ LYS 34 -13.221 -3.765 10.977 260 H MET 35 H MET 35 -5.971 -1.868 12.502 261 HA MET 35 HA MET 35 -5.122 0.614 13.530 262 1HB MET 35 1HB MET 35 -5.009 -1.456 14.832 263 2HB MET 35 2HB MET 35 -3.805 -2.102 13.725 264 1HG MET 35 1HG MET 35 -2.253 -0.332 14.379 265 2HG MET 35 2HG MET 35 -3.460 0.310 15.492 266 1HE MET 35 1HE MET 35 -2.711 -3.473 14.731 267 2HE MET 35 2HE MET 35 -1.508 -3.845 15.968 268 3HE MET 35 3HE MET 35 -1.113 -2.731 14.660 269 H ILE 36 H ILE 36 -4.274 -0.970 10.670 270 HA ILE 36 HA ILE 36 -1.581 0.020 10.487 271 HB ILE 36 HB ILE 36 -3.378 -1.296 8.454 272 1HG1 ILE 36 1HG1 ILE 36 -1.717 -3.185 8.802 273 2HG1 ILE 36 2HG1 ILE 36 -1.117 -2.282 10.187 274 1HG2 ILE 36 1HG2 ILE 36 -0.909 -1.641 7.463 275 2HG2 ILE 36 2HG2 ILE 36 -0.723 -0.053 8.212 276 3HG2 ILE 36 3HG2 ILE 36 -1.975 -0.316 7.000 277 1HD1 ILE 36 1HD1 ILE 36 -4.020 -2.847 10.046 278 2HD1 ILE 36 2HD1 ILE 36 -2.957 -2.710 11.445 279 3HD1 ILE 36 3HD1 ILE 36 -2.922 -4.166 10.450 280 H ALA 37 H ALA 37 -4.762 1.051 9.463 281 HA ALA 37 HA ALA 37 -4.203 2.822 7.433 282 1HB ALA 37 1HB ALA 37 -6.293 3.689 7.761 283 2HB ALA 37 2HB ALA 37 -6.138 3.692 9.517 284 3HB ALA 37 3HB ALA 37 -6.444 2.180 8.662 285 HA PRO 38 HA PRO 38 -3.139 6.255 10.627 286 1HB PRO 38 1HB PRO 38 -2.293 5.438 13.087 287 2HB PRO 38 2HB PRO 38 -3.972 5.864 12.727 288 1HG PRO 38 1HG PRO 38 -2.710 3.183 13.007 289 2HG PRO 38 2HG PRO 38 -4.338 3.715 13.456 290 1HD PRO 38 1HD PRO 38 -3.733 2.264 11.205 291 2HD PRO 38 2HD PRO 38 -5.171 3.271 11.375 292 H MET 39 H MET 39 -1.432 3.159 10.992 293 HA MET 39 HA MET 39 1.138 4.241 11.269 294 1HB MET 39 1HB MET 39 0.146 1.580 10.273 295 2HB MET 39 2HB MET 39 1.828 1.948 10.517 296 1HG MET 39 1HG MET 39 1.214 2.489 12.886 297 2HG MET 39 2HG MET 39 -0.344 1.757 12.552 298 1HE MET 39 1HE MET 39 0.414 -0.438 10.547 299 2HE MET 39 2HE MET 39 -0.572 -0.982 11.903 300 3HE MET 39 3HE MET 39 0.886 -1.870 11.461 301 H ILE 40 H ILE 40 -0.546 2.854 8.443 302 HA ILE 40 HA ILE 40 1.291 3.280 6.460 303 HB ILE 40 HB ILE 40 -1.713 3.671 6.328 304 1HG1 ILE 40 1HG1 ILE 40 0.066 1.351 5.550 305 2HG1 ILE 40 2HG1 ILE 40 -1.028 1.413 6.925 306 1HG2 ILE 40 1HG2 ILE 40 -1.410 4.562 4.305 307 2HG2 ILE 40 2HG2 ILE 40 -0.825 2.982 3.784 308 3HG2 ILE 40 3HG2 ILE 40 0.318 4.209 4.330 309 1HD1 ILE 40 1HD1 ILE 40 -1.993 0.112 5.121 310 2HD1 ILE 40 2HD1 ILE 40 -1.820 1.476 4.020 311 3HD1 ILE 40 3HD1 ILE 40 -2.936 1.579 5.380 312 H GLU 41 H GLU 41 -0.601 5.642 8.172 313 HA GLU 41 HA GLU 41 -0.015 7.809 6.366 314 1HB GLU 41 1HB GLU 41 -2.106 7.784 7.609 315 2HB GLU 41 2HB GLU 41 -1.233 7.760 9.135 316 1HG GLU 41 1HG GLU 41 -0.330 9.981 8.645 317 2HG GLU 41 2HG GLU 41 -1.209 10.001 7.116 318 H LYS 42 H LYS 42 1.131 6.682 9.518 319 HA LYS 42 HA LYS 42 2.764 8.858 10.159 320 1HB LYS 42 1HB LYS 42 3.051 5.942 10.887 321 2HB LYS 42 2HB LYS 42 3.994 7.237 11.611 322 1HG LYS 42 1HG LYS 42 1.959 8.251 12.480 323 2HG LYS 42 2HG LYS 42 0.997 6.976 11.731 324 1HD LYS 42 1HD LYS 42 1.342 6.530 14.105 325 2HD LYS 42 2HD LYS 42 2.133 5.306 13.111 326 1HE LYS 42 1HE LYS 42 4.275 6.442 13.408 327 2HE LYS 42 2HE LYS 42 3.488 7.684 14.381 328 1HZ LYS 42 1HZ LYS 42 4.660 5.533 15.410 329 2HZ LYS 42 2HZ LYS 42 3.082 4.946 15.258 330 3HZ LYS 42 3HZ LYS 42 3.379 6.341 16.165 331 H PHE 43 H PHE 43 3.282 6.219 7.940 332 HA PHE 43 HA PHE 43 6.117 6.629 7.762 333 1HB PHE 43 1HB PHE 43 4.200 5.020 6.076 334 2HB PHE 43 2HB PHE 43 5.932 5.103 5.759 335 HD1 PHE 43 HD1 PHE 43 3.646 4.453 8.631 336 HD2 PHE 43 HD2 PHE 43 7.215 3.396 6.576 337 HE1 PHE 43 HE1 PHE 43 4.019 2.624 10.234 338 HE2 PHE 43 HE2 PHE 43 7.596 1.563 8.171 339 HZ PHE 43 HZ PHE 43 5.996 1.173 10.003 340 H SER 44 H SER 44 3.340 8.017 6.291 341 HA SER 44 HA SER 44 4.531 8.912 3.885 342 1HB SER 44 1HB SER 44 2.099 8.838 4.168 343 2HB SER 44 2HB SER 44 2.201 10.074 5.434 344 HG SER 44 HG SER 44 2.096 10.387 2.768 345 H GLU 45 H GLU 45 5.098 9.821 7.084 346 HA GLU 45 HA GLU 45 5.779 12.578 6.488 347 1HB GLU 45 1HB GLU 45 6.149 10.975 9.024 348 2HB GLU 45 2HB GLU 45 6.396 12.707 8.862 349 1HG GLU 45 1HG GLU 45 3.783 11.262 8.489 350 2HG GLU 45 2HG GLU 45 4.260 12.188 9.913 351 H GLN 46 H GLN 46 7.348 9.492 6.745 352 HA GLN 46 HA GLN 46 10.001 10.680 6.884 353 1HB GLN 46 1HB GLN 46 9.137 7.789 6.709 354 2HB GLN 46 2HB GLN 46 10.794 8.340 6.924 355 1HG GLN 46 1HG GLN 46 10.175 9.370 9.047 356 2HG GLN 46 2HG GLN 46 8.517 8.815 8.831 357 1HE2 GLN 46 1HE2 GLN 46 8.048 7.095 9.970 358 2HE2 GLN 46 2HE2 GLN 46 9.142 5.803 10.385 359 H TYR 47 H TYR 47 7.872 9.163 4.561 360 HA TYR 47 HA TYR 47 9.886 9.680 2.473 361 1HB TYR 47 1HB TYR 47 7.863 7.433 2.532 362 2HB TYR 47 2HB TYR 47 9.013 7.747 1.239 363 HD1 TYR 47 HD1 TYR 47 11.452 7.426 1.657 364 HD2 TYR 47 HD2 TYR 47 8.502 6.290 4.499 365 HE1 TYR 47 HE1 TYR 47 13.112 6.016 2.800 366 HE2 TYR 47 HE2 TYR 47 10.151 4.858 5.647 367 HH TYR 47 HH TYR 47 12.953 3.867 4.337 368 HA PRO 48 HA PRO 48 5.723 12.028 2.088 369 1HB PRO 48 1HB PRO 48 7.228 14.343 1.452 370 2HB PRO 48 2HB PRO 48 6.311 14.035 2.927 371 1HG PRO 48 1HG PRO 48 9.212 13.782 2.420 372 2HG PRO 48 2HG PRO 48 8.355 14.104 3.936 373 1HD PRO 48 1HD PRO 48 9.515 11.719 3.382 374 2HD PRO 48 2HD PRO 48 8.051 11.853 4.382 375 H GLN 49 H GLN 49 8.658 11.663 0.265 376 HA GLN 49 HA GLN 49 7.743 12.738 -2.186 377 1HB GLN 49 1HB GLN 49 9.853 10.640 -1.643 378 2HB GLN 49 2HB GLN 49 9.599 11.419 -3.199 379 1HG GLN 49 1HG GLN 49 10.356 12.835 -0.651 380 2HG GLN 49 2HG GLN 49 11.476 12.370 -1.926 381 1HE2 GLN 49 1HE2 GLN 49 8.892 13.140 -3.675 382 2HE2 GLN 49 2HE2 GLN 49 9.142 14.831 -3.896 383 H ALA 50 H ALA 50 7.404 9.643 -0.628 384 HA ALA 50 HA ALA 50 6.155 8.467 -2.995 385 1HB ALA 50 1HB ALA 50 7.334 7.410 -0.491 386 2HB ALA 50 2HB ALA 50 7.470 6.820 -2.146 387 3HB ALA 50 3HB ALA 50 6.011 6.493 -1.210 388 H ASP 51 H ASP 51 4.020 7.790 -3.049 389 HA ASP 51 HA ASP 51 2.263 9.135 -1.158 390 1HB ASP 51 1HB ASP 51 1.646 7.619 -3.703 391 2HB ASP 51 2HB ASP 51 0.459 8.476 -2.724 392 H PHE 52 H PHE 52 1.163 8.154 0.419 393 HA PHE 52 HA PHE 52 1.357 5.229 0.577 394 1HB PHE 52 1HB PHE 52 0.945 7.312 2.726 395 2HB PHE 52 2HB PHE 52 0.832 5.568 3.012 396 HD1 PHE 52 HD1 PHE 52 3.173 7.997 1.410 397 HD2 PHE 52 HD2 PHE 52 2.693 4.541 3.842 398 HE1 PHE 52 HE1 PHE 52 5.611 7.892 1.732 399 HE2 PHE 52 HE2 PHE 52 5.126 4.426 4.168 400 HZ PHE 52 HZ PHE 52 6.589 6.104 3.117 401 H TYR 53 H TYR 53 -0.390 4.665 -0.671 402 HA TYR 53 HA TYR 53 -3.033 5.598 0.190 403 1HB TYR 53 1HB TYR 53 -2.029 4.277 -2.321 404 2HB TYR 53 2HB TYR 53 -3.747 4.318 -1.935 405 HD1 TYR 53 HD1 TYR 53 -4.709 6.695 -1.384 406 HD2 TYR 53 HD2 TYR 53 -1.114 6.015 -3.549 407 HE1 TYR 53 HE1 TYR 53 -4.891 8.935 -2.377 408 HE2 TYR 53 HE2 TYR 53 -1.281 8.257 -4.545 409 HH TYR 53 HH TYR 53 -2.957 10.648 -3.422 410 H LYS 54 H LYS 54 -4.715 3.666 -0.318 411 HA LYS 54 HA LYS 54 -3.722 1.180 0.851 412 1HB LYS 54 1HB LYS 54 -6.118 2.663 1.948 413 2HB LYS 54 2HB LYS 54 -5.508 1.109 2.493 414 1HG LYS 54 1HG LYS 54 -3.640 2.044 3.497 415 2HG LYS 54 2HG LYS 54 -3.767 3.536 2.573 416 1HD LYS 54 1HD LYS 54 -4.410 3.826 4.934 417 2HD LYS 54 2HD LYS 54 -5.726 4.196 3.823 418 1HE LYS 54 1HE LYS 54 -6.470 2.908 5.783 419 2HE LYS 54 2HE LYS 54 -6.754 2.057 4.269 420 1HZ LYS 54 1HZ LYS 54 -4.619 0.853 4.725 421 2HZ LYS 54 2HZ LYS 54 -5.884 0.495 5.786 422 3HZ LYS 54 3HZ LYS 54 -4.639 1.526 6.275 423 H LEU 55 H LEU 55 -4.807 -0.635 0.181 424 HA LEU 55 HA LEU 55 -6.826 -0.194 -1.906 425 1HB LEU 55 1HB LEU 55 -4.662 -1.347 -2.481 426 2HB LEU 55 2HB LEU 55 -5.150 -2.653 -1.422 427 HG LEU 55 HG LEU 55 -5.536 -3.089 -3.848 428 1HD1 LEU 55 1HD1 LEU 55 -7.196 -4.473 -3.300 429 2HD1 LEU 55 2HD1 LEU 55 -8.266 -3.151 -2.837 430 3HD1 LEU 55 3HD1 LEU 55 -7.080 -3.769 -1.687 431 1HD2 LEU 55 1HD2 LEU 55 -6.818 -1.792 -5.158 432 2HD2 LEU 55 2HD2 LEU 55 -6.458 -0.549 -3.960 433 3HD2 LEU 55 3HD2 LEU 55 -7.973 -1.450 -3.869 434 H ASP 56 H ASP 56 -8.747 -1.310 -1.949 435 HA ASP 56 HA ASP 56 -9.551 -2.469 0.619 436 1HB ASP 56 1HB ASP 56 -10.839 -0.542 -0.506 437 2HB ASP 56 2HB ASP 56 -11.399 -1.754 -1.655 438 H VAL 57 H VAL 57 -9.512 -4.615 0.777 439 HA VAL 57 HA VAL 57 -9.459 -6.302 -1.548 440 HB VAL 57 HB VAL 57 -9.506 -6.949 1.409 441 1HG1 VAL 57 1HG1 VAL 57 -10.512 -8.841 0.368 442 2HG1 VAL 57 2HG1 VAL 57 -8.821 -9.266 0.638 443 3HG1 VAL 57 3HG1 VAL 57 -9.368 -8.801 -0.974 444 1HG2 VAL 57 1HG2 VAL 57 -7.303 -7.268 -0.634 445 2HG2 VAL 57 2HG2 VAL 57 -7.183 -7.465 1.116 446 3HG2 VAL 57 3HG2 VAL 57 -7.473 -5.868 0.426 447 H ASP 58 H ASP 58 -11.938 -4.776 0.012 448 HA ASP 58 HA ASP 58 -13.888 -6.928 -0.360 449 1HB ASP 58 1HB ASP 58 -13.980 -5.565 1.722 450 2HB ASP 58 2HB ASP 58 -14.278 -4.135 0.746 451 H GLU 59 H GLU 59 -13.331 -3.560 -1.306 452 HA GLU 59 HA GLU 59 -15.375 -3.646 -3.335 453 1HB GLU 59 1HB GLU 59 -14.908 -1.600 -2.021 454 2HB GLU 59 2HB GLU 59 -13.304 -1.515 -2.743 455 1HG GLU 59 1HG GLU 59 -14.737 0.027 -3.871 456 2HG GLU 59 2HG GLU 59 -14.382 -1.307 -4.968 457 H LEU 60 H LEU 60 -11.847 -3.643 -3.189 458 HA LEU 60 HA LEU 60 -11.777 -4.181 -6.085 459 1HB LEU 60 1HB LEU 60 -9.613 -3.083 -4.287 460 2HB LEU 60 2HB LEU 60 -9.407 -3.454 -5.987 461 HG LEU 60 HG LEU 60 -11.139 -1.743 -6.521 462 1HD1 LEU 60 1HD1 LEU 60 -11.203 -0.087 -4.368 463 2HD1 LEU 60 2HD1 LEU 60 -11.292 -1.672 -3.599 464 3HD1 LEU 60 3HD1 LEU 60 -12.483 -1.213 -4.813 465 1HD2 LEU 60 1HD2 LEU 60 -9.130 -0.264 -4.943 466 2HD2 LEU 60 2HD2 LEU 60 -9.576 -0.116 -6.644 467 3HD2 LEU 60 3HD2 LEU 60 -8.507 -1.418 -6.123 468 H GLY 61 H GLY 61 -12.450 -6.257 -4.406 469 1HA GLY 61 1HA GLY 61 -10.432 -7.824 -3.348 470 2HA GLY 61 2HA GLY 61 -11.910 -8.461 -4.052 471 H ASP 62 H ASP 62 -11.124 -7.194 -6.687 472 HA ASP 62 HA ASP 62 -9.810 -9.472 -7.752 473 1HB ASP 62 1HB ASP 62 -10.415 -6.832 -9.019 474 2HB ASP 62 2HB ASP 62 -9.877 -8.256 -9.889 475 H VAL 63 H VAL 63 -8.789 -6.077 -7.368 476 HA VAL 63 HA VAL 63 -6.225 -6.377 -8.429 477 HB VAL 63 HB VAL 63 -6.901 -4.542 -6.123 478 1HG1 VAL 63 1HG1 VAL 63 -5.174 -3.593 -8.281 479 2HG1 VAL 63 2HG1 VAL 63 -4.517 -4.970 -7.396 480 3HG1 VAL 63 3HG1 VAL 63 -4.963 -3.497 -6.533 481 1HG2 VAL 63 1HG2 VAL 63 -7.534 -4.283 -9.050 482 2HG2 VAL 63 2HG2 VAL 63 -7.412 -2.882 -7.985 483 3HG2 VAL 63 3HG2 VAL 63 -8.623 -4.126 -7.672 484 H ALA 64 H ALA 64 -7.558 -7.445 -5.432 485 HA ALA 64 HA ALA 64 -5.016 -7.877 -4.101 486 1HB ALA 64 1HB ALA 64 -7.878 -8.252 -3.454 487 2HB ALA 64 2HB ALA 64 -6.559 -7.637 -2.458 488 3HB ALA 64 3HB ALA 64 -6.753 -9.374 -2.690 489 H GLN 65 H GLN 65 -7.155 -9.553 -6.258 490 HA GLN 65 HA GLN 65 -5.896 -12.131 -5.785 491 1HB GLN 65 1HB GLN 65 -7.671 -13.081 -6.876 492 2HB GLN 65 2HB GLN 65 -8.437 -11.580 -6.379 493 1HG GLN 65 1HG GLN 65 -8.068 -10.632 -8.579 494 2HG GLN 65 2HG GLN 65 -7.229 -12.095 -9.089 495 1HE2 GLN 65 1HE2 GLN 65 -10.021 -10.517 -9.396 496 2HE2 GLN 65 2HE2 GLN 65 -11.111 -11.836 -9.630 497 H LYS 66 H LYS 66 -5.992 -9.561 -8.173 498 HA LYS 66 HA LYS 66 -4.705 -10.833 -10.295 499 1HB LYS 66 1HB LYS 66 -4.323 -8.686 -11.209 500 2HB LYS 66 2HB LYS 66 -5.807 -8.530 -10.278 501 1HG LYS 66 1HG LYS 66 -4.574 -7.493 -8.462 502 2HG LYS 66 2HG LYS 66 -3.074 -7.657 -9.372 503 1HD LYS 66 1HD LYS 66 -5.488 -6.062 -10.228 504 2HD LYS 66 2HD LYS 66 -4.003 -5.394 -9.548 505 1HE LYS 66 1HE LYS 66 -2.741 -6.309 -11.446 506 2HE LYS 66 2HE LYS 66 -4.238 -6.941 -12.127 507 1HZ LYS 66 1HZ LYS 66 -3.321 -4.677 -12.928 508 2HZ LYS 66 2HZ LYS 66 -4.018 -4.074 -11.511 509 3HZ LYS 66 3HZ LYS 66 -4.983 -4.849 -12.663 510 H ASN 67 H ASN 67 -3.319 -8.961 -7.607 511 HA ASN 67 HA ASN 67 -0.628 -9.616 -8.397 512 1HB ASN 67 1HB ASN 67 -1.782 -8.103 -6.045 513 2HB ASN 67 2HB ASN 67 -0.058 -8.301 -6.358 514 1HD2 ASN 67 1HD2 ASN 67 -2.546 -6.238 -6.661 515 2HD2 ASN 67 2HD2 ASN 67 -1.998 -5.293 -8.019 516 H GLU 68 H GLU 68 -2.973 -11.359 -6.957 517 HA GLU 68 HA GLU 68 -3.014 -13.247 -5.701 518 1HB GLU 68 1HB GLU 68 -0.007 -13.125 -5.989 519 2HB GLU 68 2HB GLU 68 -0.921 -14.512 -5.414 520 1HG GLU 68 1HG GLU 68 -2.027 -14.688 -7.581 521 2HG GLU 68 2HG GLU 68 -1.120 -13.291 -8.159 522 H VAL 69 H VAL 69 -3.105 -10.752 -4.375 523 HA VAL 69 HA VAL 69 -1.686 -11.383 -1.867 524 HB VAL 69 HB VAL 69 -2.647 -8.667 -2.775 525 1HG1 VAL 69 1HG1 VAL 69 -2.603 -8.992 -0.338 526 2HG1 VAL 69 2HG1 VAL 69 -1.395 -7.826 -0.869 527 3HG1 VAL 69 3HG1 VAL 69 -0.907 -9.467 -0.438 528 1HG2 VAL 69 1HG2 VAL 69 -0.506 -8.139 -3.465 529 2HG2 VAL 69 2HG2 VAL 69 -0.650 -9.814 -3.996 530 3HG2 VAL 69 3HG2 VAL 69 0.233 -9.429 -2.518 531 H SER 70 H SER 70 -3.180 -12.531 -0.749 532 HA SER 70 HA SER 70 -5.752 -11.206 -0.247 533 1HB SER 70 1HB SER 70 -5.228 -14.149 -0.335 534 2HB SER 70 2HB SER 70 -6.774 -13.404 0.072 535 HG SER 70 HG SER 70 -5.399 -13.069 -2.394 536 H ALA 71 H ALA 71 -2.954 -11.447 1.121 537 HA ALA 71 HA ALA 71 -3.298 -12.758 3.578 538 1HB ALA 71 1HB ALA 71 -1.255 -11.388 2.342 539 2HB ALA 71 2HB ALA 71 -1.211 -12.058 3.974 540 3HB ALA 71 3HB ALA 71 -1.640 -10.366 3.727 541 H MET 72 H MET 72 -2.678 -10.628 5.455 542 HA MET 72 HA MET 72 -4.707 -8.658 5.358 543 1HB MET 72 1HB MET 72 -6.178 -9.482 7.108 544 2HB MET 72 2HB MET 72 -6.167 -10.557 5.721 545 1HG MET 72 1HG MET 72 -4.573 -11.022 8.218 546 2HG MET 72 2HG MET 72 -6.166 -11.699 7.920 547 1HE MET 72 1HE MET 72 -4.208 -13.358 8.865 548 2HE MET 72 2HE MET 72 -3.333 -14.441 7.781 549 3HE MET 72 3HE MET 72 -5.081 -14.595 7.960 550 HA PRO 73 HA PRO 73 -3.757 -7.152 5.056 551 1HB PRO 73 1HB PRO 73 -2.360 -4.931 5.304 552 2HB PRO 73 2HB PRO 73 -3.789 -5.196 6.328 553 1HG PRO 73 1HG PRO 73 -0.900 -5.422 7.008 554 2HG PRO 73 2HG PRO 73 -2.247 -4.857 8.003 555 1HD PRO 73 1HD PRO 73 -1.097 -7.450 8.003 556 2HD PRO 73 2HD PRO 73 -2.580 -6.936 8.838 557 H THR 74 H THR 74 -1.967 -5.742 3.593 558 HA THR 74 HA THR 74 0.560 -7.168 3.447 559 HB THR 74 HB THR 74 -1.309 -7.117 1.071 560 HG1 THR 74 HG1 THR 74 -2.039 -8.643 2.534 561 1HG2 THR 74 1HG2 THR 74 1.503 -7.627 1.297 562 2HG2 THR 74 2HG2 THR 74 0.491 -7.548 -0.139 563 3HG2 THR 74 3HG2 THR 74 0.658 -9.066 0.743 564 H LEU 75 H LEU 75 2.120 -6.113 2.087 565 HA LEU 75 HA LEU 75 1.412 -3.318 1.486 566 1HB LEU 75 1HB LEU 75 4.086 -4.484 2.256 567 2HB LEU 75 2HB LEU 75 3.799 -2.805 1.841 568 HG LEU 75 HG LEU 75 2.673 -4.261 4.234 569 1HD1 LEU 75 1HD1 LEU 75 4.078 -2.218 5.226 570 2HD1 LEU 75 2HD1 LEU 75 5.015 -2.533 3.766 571 3HD1 LEU 75 3HD1 LEU 75 4.765 -3.817 4.947 572 1HD2 LEU 75 1HD2 LEU 75 1.825 -2.041 4.891 573 2HD2 LEU 75 2HD2 LEU 75 1.071 -2.641 3.414 574 3HD2 LEU 75 3HD2 LEU 75 2.326 -1.405 3.324 575 H LEU 76 H LEU 76 1.541 -2.679 -0.566 576 HA LEU 76 HA LEU 76 3.172 -4.277 -2.431 577 1HB LEU 76 1HB LEU 76 0.509 -2.946 -2.944 578 2HB LEU 76 2HB LEU 76 1.513 -3.671 -4.197 579 HG LEU 76 HG LEU 76 0.001 -5.032 -1.984 580 1HD1 LEU 76 1HD1 LEU 76 -0.541 -4.531 -4.666 581 2HD1 LEU 76 2HD1 LEU 76 -1.393 -5.643 -3.595 582 3HD1 LEU 76 3HD1 LEU 76 -0.072 -6.230 -4.604 583 1HD2 LEU 76 1HD2 LEU 76 1.182 -7.109 -3.182 584 2HD2 LEU 76 2HD2 LEU 76 1.848 -6.328 -1.747 585 3HD2 LEU 76 3HD2 LEU 76 2.475 -5.921 -3.344 586 H LEU 77 H LEU 77 4.671 -3.208 -3.552 587 HA LEU 77 HA LEU 77 4.598 -0.264 -3.494 588 1HB LEU 77 1HB LEU 77 6.960 -2.125 -3.776 589 2HB LEU 77 2HB LEU 77 7.049 -0.376 -3.820 590 HG LEU 77 HG LEU 77 6.202 -0.309 -1.485 591 1HD1 LEU 77 1HD1 LEU 77 5.022 -2.222 -1.049 592 2HD1 LEU 77 2HD1 LEU 77 6.570 -2.621 -0.301 593 3HD1 LEU 77 3HD1 LEU 77 6.171 -3.256 -1.898 594 1HD2 LEU 77 1HD2 LEU 77 8.691 -0.521 -2.285 595 2HD2 LEU 77 2HD2 LEU 77 8.594 -2.082 -1.469 596 3HD2 LEU 77 3HD2 LEU 77 8.284 -0.596 -0.570 597 H PHE 78 H PHE 78 4.879 0.903 -5.369 598 HA PHE 78 HA PHE 78 5.249 -0.564 -7.890 599 1HB PHE 78 1HB PHE 78 2.988 1.383 -7.349 600 2HB PHE 78 2HB PHE 78 3.297 0.565 -8.871 601 HD1 PHE 78 HD1 PHE 78 3.312 -2.053 -8.760 602 HD2 PHE 78 HD2 PHE 78 1.495 0.474 -5.859 603 HE1 PHE 78 HE1 PHE 78 1.893 -3.923 -8.023 604 HE2 PHE 78 HE2 PHE 78 0.073 -1.392 -5.119 605 HZ PHE 78 HZ PHE 78 0.268 -3.591 -6.201 606 H LYS 79 H LYS 79 6.674 0.495 -9.225 607 HA LYS 79 HA LYS 79 7.114 3.373 -8.685 608 1HB LYS 79 1HB LYS 79 8.967 1.219 -9.640 609 2HB LYS 79 2HB LYS 79 9.298 2.899 -10.021 610 1HG LYS 79 1HG LYS 79 8.923 1.839 -7.228 611 2HG LYS 79 2HG LYS 79 10.485 2.081 -8.013 612 1HD LYS 79 1HD LYS 79 8.428 4.209 -7.418 613 2HD LYS 79 2HD LYS 79 9.962 3.966 -6.580 614 1HE LYS 79 1HE LYS 79 9.608 4.732 -9.475 615 2HE LYS 79 2HE LYS 79 10.149 5.787 -8.170 616 1HZ LYS 79 1HZ LYS 79 11.910 3.805 -7.965 617 2HZ LYS 79 2HZ LYS 79 12.165 5.181 -8.917 618 3HZ LYS 79 3HZ LYS 79 11.611 3.750 -9.630 619 H ASN 80 H ASN 80 6.801 4.857 -10.249 620 HA ASN 80 HA ASN 80 5.874 5.704 -12.165 621 1HB ASN 80 1HB ASN 80 7.942 3.829 -13.325 622 2HB ASN 80 2HB ASN 80 7.198 5.175 -14.184 623 1HD2 ASN 80 1HD2 ASN 80 8.437 6.885 -14.287 624 2HD2 ASN 80 2HD2 ASN 80 9.576 7.402 -13.094 625 H GLY 81 H GLY 81 3.903 4.317 -11.529 626 1HA GLY 81 1HA GLY 81 2.121 3.036 -12.168 627 2HA GLY 81 2HA GLY 81 2.621 3.425 -13.809 628 H LYS 82 H LYS 82 4.842 1.698 -11.818 629 HA LYS 82 HA LYS 82 4.074 -0.830 -13.105 630 1HB LYS 82 1HB LYS 82 6.887 0.224 -12.742 631 2HB LYS 82 2HB LYS 82 6.480 -1.379 -13.330 632 1HG LYS 82 1HG LYS 82 5.385 -0.412 -15.273 633 2HG LYS 82 2HG LYS 82 5.754 1.208 -14.681 634 1HD LYS 82 1HD LYS 82 7.352 0.524 -16.390 635 2HD LYS 82 2HD LYS 82 8.149 0.714 -14.827 636 1HE LYS 82 1HE LYS 82 8.922 -1.298 -15.971 637 2HE LYS 82 2HE LYS 82 8.067 -1.701 -14.483 638 1HZ LYS 82 1HZ LYS 82 7.578 -2.868 -16.816 639 2HZ LYS 82 2HZ LYS 82 6.449 -1.612 -16.893 640 3HZ LYS 82 3HZ LYS 82 6.409 -2.703 -15.602 641 H GLU 83 H GLU 83 6.120 -2.350 -11.864 642 HA GLU 83 HA GLU 83 5.170 -2.289 -9.081 643 1HB GLU 83 1HB GLU 83 4.561 -4.277 -10.428 644 2HB GLU 83 2HB GLU 83 6.261 -4.585 -10.730 645 1HG GLU 83 1HG GLU 83 6.649 -5.155 -8.465 646 2HG GLU 83 2HG GLU 83 5.057 -4.571 -7.976 647 H VAL 84 H VAL 84 6.912 -3.533 -7.628 648 HA VAL 84 HA VAL 84 9.650 -3.108 -8.319 649 HB VAL 84 HB VAL 84 10.091 -1.606 -6.323 650 1HG1 VAL 84 1HG1 VAL 84 8.564 0.020 -8.241 651 2HG1 VAL 84 2HG1 VAL 84 9.790 -1.048 -8.929 652 3HG1 VAL 84 3HG1 VAL 84 10.244 0.148 -7.719 653 1HG2 VAL 84 1HG2 VAL 84 7.204 -1.734 -6.230 654 2HG2 VAL 84 2HG2 VAL 84 7.788 -0.075 -6.299 655 3HG2 VAL 84 3HG2 VAL 84 8.348 -1.156 -5.023 656 H ALA 85 H ALA 85 7.367 -3.544 -5.616 657 HA ALA 85 HA ALA 85 8.615 -6.008 -4.887 658 1HB ALA 85 1HB ALA 85 10.295 -4.626 -3.914 659 2HB ALA 85 2HB ALA 85 9.315 -5.279 -2.604 660 3HB ALA 85 3HB ALA 85 9.086 -3.612 -3.129 661 H LYS 86 H LYS 86 7.633 -7.004 -2.986 662 HA LYS 86 HA LYS 86 5.143 -5.851 -2.032 663 1HB LYS 86 1HB LYS 86 3.846 -7.881 -2.623 664 2HB LYS 86 2HB LYS 86 4.392 -6.986 -4.034 665 1HG LYS 86 1HG LYS 86 6.232 -8.584 -4.321 666 2HG LYS 86 2HG LYS 86 5.646 -9.491 -2.926 667 1HD LYS 86 1HD LYS 86 4.107 -8.987 -5.473 668 2HD LYS 86 2HD LYS 86 4.908 -10.498 -5.035 669 1HE LYS 86 1HE LYS 86 3.455 -10.688 -3.069 670 2HE LYS 86 2HE LYS 86 2.651 -9.187 -3.524 671 1HZ LYS 86 1HZ LYS 86 2.376 -10.575 -5.768 672 2HZ LYS 86 2HZ LYS 86 1.238 -10.612 -4.516 673 3HZ LYS 86 3HZ LYS 86 2.382 -11.850 -4.653 674 H VAL 87 H VAL 87 5.275 -6.075 0.098 675 HA VAL 87 HA VAL 87 6.268 -8.626 1.180 676 HB VAL 87 HB VAL 87 6.885 -5.905 2.338 677 1HG1 VAL 87 1HG1 VAL 87 7.665 -6.920 4.169 678 2HG1 VAL 87 2HG1 VAL 87 8.458 -8.189 3.235 679 3HG1 VAL 87 3HG1 VAL 87 6.746 -8.327 3.633 680 1HG2 VAL 87 1HG2 VAL 87 8.947 -7.754 1.221 681 2HG2 VAL 87 2HG2 VAL 87 9.009 -6.006 1.446 682 3HG2 VAL 87 3HG2 VAL 87 8.043 -6.693 0.140 683 H VAL 88 H VAL 88 4.329 -9.461 1.796 684 HA VAL 88 HA VAL 88 2.212 -8.008 2.939 685 HB VAL 88 HB VAL 88 1.746 -10.151 1.969 686 1HG1 VAL 88 1HG1 VAL 88 2.685 -12.102 3.680 687 2HG1 VAL 88 2HG1 VAL 88 4.040 -10.980 3.568 688 3HG1 VAL 88 3HG1 VAL 88 3.362 -11.691 2.105 689 1HG2 VAL 88 1HG2 VAL 88 0.197 -9.658 3.677 690 2HG2 VAL 88 2HG2 VAL 88 1.338 -10.076 4.953 691 3HG2 VAL 88 3HG2 VAL 88 0.657 -11.340 3.931 692 H GLY 89 H GLY 89 2.732 -6.737 4.638 693 1HA GLY 89 1HA GLY 89 2.518 -7.213 7.171 694 2HA GLY 89 2HA GLY 89 4.090 -7.966 6.938 695 H ALA 90 H ALA 90 2.463 -5.102 7.644 696 HA ALA 90 HA ALA 90 4.705 -3.396 6.861 697 1HB ALA 90 1HB ALA 90 2.347 -2.287 8.282 698 2HB ALA 90 2HB ALA 90 2.110 -2.894 6.644 699 3HB ALA 90 3HB ALA 90 3.287 -1.615 6.949 700 H ASN 91 H ASN 91 5.182 -5.297 8.910 701 HA ASN 91 HA ASN 91 5.013 -4.096 11.473 702 1HB ASN 91 1HB ASN 91 6.729 -6.351 10.421 703 2HB ASN 91 2HB ASN 91 6.553 -5.926 12.112 704 1HD2 ASN 91 1HD2 ASN 91 5.553 -8.009 9.837 705 2HD2 ASN 91 2HD2 ASN 91 4.012 -8.451 10.482 706 HA PRO 92 HA PRO 92 8.229 -1.028 11.183 707 1HB PRO 92 1HB PRO 92 8.728 -2.010 13.969 708 2HB PRO 92 2HB PRO 92 8.637 -0.351 13.364 709 1HG PRO 92 1HG PRO 92 6.570 -1.384 14.643 710 2HG PRO 92 2HG PRO 92 6.317 -0.406 13.184 711 1HD PRO 92 1HD PRO 92 6.143 -3.364 13.535 712 2HD PRO 92 2HD PRO 92 5.192 -2.292 12.486 713 H ALA 93 H ALA 93 9.476 -2.333 9.673 714 HA ALA 93 HA ALA 93 12.080 -2.860 10.512 715 1HB ALA 93 1HB ALA 93 10.496 -4.899 11.370 716 2HB ALA 93 2HB ALA 93 12.224 -5.034 11.047 717 3HB ALA 93 3HB ALA 93 11.057 -5.517 9.818 718 H ALA 94 H ALA 94 9.530 -3.680 8.200 719 HA ALA 94 HA ALA 94 11.554 -3.515 6.070 720 1HB ALA 94 1HB ALA 94 9.965 -4.977 4.738 721 2HB ALA 94 2HB ALA 94 9.134 -5.283 6.264 722 3HB ALA 94 3HB ALA 94 10.823 -5.753 6.068 723 H ILE 95 H ILE 95 8.131 -2.887 6.821 724 HA ILE 95 HA ILE 95 7.390 -1.595 4.511 725 HB ILE 95 HB ILE 95 5.784 -2.031 6.243 726 1HG1 ILE 95 1HG1 ILE 95 4.588 0.096 6.342 727 2HG1 ILE 95 2HG1 ILE 95 6.056 0.962 5.903 728 1HG2 ILE 95 1HG2 ILE 95 5.906 -0.275 8.238 729 2HG2 ILE 95 2HG2 ILE 95 7.629 -0.411 7.885 730 3HG2 ILE 95 3HG2 ILE 95 6.699 -1.850 8.303 731 1HD1 ILE 95 1HD1 ILE 95 4.146 -0.495 4.229 732 2HD1 ILE 95 2HD1 ILE 95 5.843 -0.760 3.831 733 3HD1 ILE 95 3HD1 ILE 95 5.184 0.874 3.845 734 H LYS 96 H LYS 96 9.746 -0.585 6.799 735 HA LYS 96 HA LYS 96 9.600 2.207 5.958 736 1HB LYS 96 1HB LYS 96 11.315 2.628 7.641 737 2HB LYS 96 2HB LYS 96 9.964 1.746 8.337 738 1HG LYS 96 1HG LYS 96 11.270 -0.339 8.143 739 2HG LYS 96 2HG LYS 96 12.636 0.607 7.546 740 1HD LYS 96 1HD LYS 96 12.601 1.913 9.647 741 2HD LYS 96 2HD LYS 96 11.307 0.871 10.242 742 1HE LYS 96 1HE LYS 96 13.423 0.132 11.140 743 2HE LYS 96 2HE LYS 96 12.803 -1.074 10.013 744 1HZ LYS 96 1HZ LYS 96 14.448 0.802 8.664 745 2HZ LYS 96 2HZ LYS 96 14.619 -0.876 8.783 746 3HZ LYS 96 3HZ LYS 96 15.286 0.125 9.969 747 H GLN 97 H GLN 97 11.980 -0.437 5.973 748 HA GLN 97 HA GLN 97 13.878 0.976 4.401 749 1HB GLN 97 1HB GLN 97 13.604 -2.011 4.795 750 2HB GLN 97 2HB GLN 97 15.030 -1.169 4.205 751 1HG GLN 97 1HG GLN 97 15.229 -0.029 6.371 752 2HG GLN 97 2HG GLN 97 13.829 -0.928 6.955 753 1HE2 GLN 97 1HE2 GLN 97 14.279 -2.671 8.084 754 2HE2 GLN 97 2HE2 GLN 97 15.717 -3.621 7.969 755 H ALA 98 H ALA 98 11.182 -1.127 3.691 756 HA ALA 98 HA ALA 98 11.800 -1.742 1.018 757 1HB ALA 98 1HB ALA 98 8.974 -1.374 1.928 758 2HB ALA 98 2HB ALA 98 9.954 -2.685 2.584 759 3HB ALA 98 3HB ALA 98 9.655 -2.593 0.849 760 H ILE 99 H ILE 99 10.482 1.096 2.518 761 HA ILE 99 HA ILE 99 9.676 2.274 -0.014 762 HB ILE 99 HB ILE 99 9.622 3.442 2.773 763 1HG1 ILE 99 1HG1 ILE 99 7.427 2.174 1.118 764 2HG1 ILE 99 2HG1 ILE 99 8.181 1.466 2.543 765 1HG2 ILE 99 1HG2 ILE 99 7.945 5.003 1.705 766 2HG2 ILE 99 2HG2 ILE 99 8.503 4.399 0.146 767 3HG2 ILE 99 3HG2 ILE 99 9.624 5.233 1.221 768 1HD1 ILE 99 1HD1 ILE 99 7.282 3.223 3.930 769 2HD1 ILE 99 2HD1 ILE 99 5.987 2.452 3.012 770 3HD1 ILE 99 3HD1 ILE 99 6.607 4.024 2.513 771 H ALA 100 H ALA 100 12.523 2.008 1.738 772 HA ALA 100 HA ALA 100 13.549 4.636 1.037 773 1HB ALA 100 1HB ALA 100 14.415 2.425 2.794 774 2HB ALA 100 2HB ALA 100 14.460 4.168 3.054 775 3HB ALA 100 3HB ALA 100 15.692 3.393 2.058 776 H ALA 101 H ALA 101 14.912 1.364 0.661 777 HA ALA 101 HA ALA 101 16.700 1.957 -1.361 778 1HB ALA 101 1HB ALA 101 16.361 -0.548 -1.962 779 2HB ALA 101 2HB ALA 101 15.327 -0.564 -0.533 780 3HB ALA 101 3HB ALA 101 17.025 -0.112 -0.388 781 H ASN 102 H ASN 102 13.259 1.380 -1.556 782 HA ASN 102 HA ASN 102 13.236 1.055 -4.408 783 1HB ASN 102 1HB ASN 102 11.052 1.450 -2.356 784 2HB ASN 102 2HB ASN 102 10.761 1.176 -4.074 785 1HD2 ASN 102 1HD2 ASN 102 10.242 -0.830 -4.514 786 2HD2 ASN 102 2HD2 ASN 102 10.823 -2.240 -3.706 787 H ALA 103 H ALA 103 12.081 3.556 -2.141 788 HA ALA 103 HA ALA 103 11.923 5.450 -4.377 789 1HB ALA 103 1HB ALA 103 10.002 5.979 -3.385 790 2HB ALA 103 2HB ALA 103 10.961 6.730 -2.108 791 3HB ALA 103 3HB ALA 103 10.416 5.062 -1.938 Start of MODEL 2 1 1H MET 1 1H MET 1 -1.239 12.090 2.505 2 2H MET 1 2H MET 1 -0.641 11.625 4.045 3 3H MET 1 3H MET 1 -0.809 13.287 3.654 4 HA MET 1 HA MET 1 -2.559 12.719 5.055 5 1HB MET 1 1HB MET 1 -4.454 13.233 3.584 6 2HB MET 1 2HB MET 1 -3.052 14.211 3.177 7 1HG MET 1 1HG MET 1 -2.564 12.763 1.291 8 2HG MET 1 2HG MET 1 -3.927 11.729 1.714 9 1HE MET 1 1HE MET 1 -4.005 13.619 -1.556 10 2HE MET 1 2HE MET 1 -5.505 12.749 -1.233 11 3HE MET 1 3HE MET 1 -3.959 12.048 -0.754 12 H VAL 2 H VAL 2 -1.702 10.241 2.889 13 HA VAL 2 HA VAL 2 -2.328 8.091 2.576 14 HB VAL 2 HB VAL 2 -1.609 8.013 4.943 15 1HG1 VAL 2 1HG1 VAL 2 -4.511 8.551 5.445 16 2HG1 VAL 2 2HG1 VAL 2 -3.093 9.316 6.162 17 3HG1 VAL 2 3HG1 VAL 2 -3.531 7.669 6.615 18 1HG2 VAL 2 1HG2 VAL 2 -3.896 6.131 4.419 19 2HG2 VAL 2 2HG2 VAL 2 -2.451 5.838 5.388 20 3HG2 VAL 2 3HG2 VAL 2 -2.319 6.006 3.638 21 H THR 3 H THR 3 -3.943 7.040 1.599 22 HA THR 3 HA THR 3 -6.703 7.500 2.388 23 HB THR 3 HB THR 3 -5.706 8.154 -0.392 24 HG1 THR 3 HG1 THR 3 -6.838 9.789 1.629 25 1HG2 THR 3 1HG2 THR 3 -8.499 8.174 0.720 26 2HG2 THR 3 2HG2 THR 3 -7.880 7.188 -0.606 27 3HG2 THR 3 3HG2 THR 3 -8.017 8.936 -0.795 28 H GLN 4 H GLN 4 -8.219 6.077 1.212 29 HA GLN 4 HA GLN 4 -6.945 3.495 0.623 30 1HB GLN 4 1HB GLN 4 -9.854 4.099 1.184 31 2HB GLN 4 2HB GLN 4 -9.108 2.509 1.103 32 1HG GLN 4 1HG GLN 4 -7.800 2.992 3.083 33 2HG GLN 4 2HG GLN 4 -8.469 4.620 3.152 34 1HE2 GLN 4 1HE2 GLN 4 -9.972 4.838 4.627 35 2HE2 GLN 4 2HE2 GLN 4 -11.105 3.632 5.125 36 H PHE 5 H PHE 5 -8.505 2.140 -0.939 37 HA PHE 5 HA PHE 5 -9.283 3.846 -3.201 38 1HB PHE 5 1HB PHE 5 -7.545 1.380 -3.341 39 2HB PHE 5 2HB PHE 5 -8.334 2.102 -4.750 40 HD1 PHE 5 HD1 PHE 5 -7.936 5.006 -3.922 41 HD2 PHE 5 HD2 PHE 5 -5.306 1.653 -4.002 42 HE1 PHE 5 HE1 PHE 5 -6.025 6.520 -4.265 43 HE2 PHE 5 HE2 PHE 5 -3.397 3.168 -4.348 44 HZ PHE 5 HZ PHE 5 -3.754 5.599 -4.478 45 H LYS 6 H LYS 6 -11.456 3.570 -3.026 46 HA LYS 6 HA LYS 6 -12.589 0.930 -2.648 47 1HB LYS 6 1HB LYS 6 -13.842 3.647 -3.073 48 2HB LYS 6 2HB LYS 6 -14.778 2.168 -2.906 49 1HG LYS 6 1HG LYS 6 -12.892 3.285 -0.841 50 2HG LYS 6 2HG LYS 6 -14.652 3.415 -0.810 51 1HD LYS 6 1HD LYS 6 -14.817 0.962 -0.737 52 2HD LYS 6 2HD LYS 6 -13.056 0.855 -0.731 53 1HE LYS 6 1HE LYS 6 -14.762 2.180 1.375 54 2HE LYS 6 2HE LYS 6 -13.962 0.617 1.523 55 1HZ LYS 6 1HZ LYS 6 -12.226 1.712 2.325 56 2HZ LYS 6 2HZ LYS 6 -12.907 3.216 1.956 57 3HZ LYS 6 3HZ LYS 6 -11.988 2.397 0.796 58 H THR 7 H THR 7 -11.914 3.137 -5.247 59 HA THR 7 HA THR 7 -13.084 1.204 -7.138 60 HB THR 7 HB THR 7 -13.495 3.101 -8.677 61 HG1 THR 7 HG1 THR 7 -12.938 5.075 -8.175 62 1HG2 THR 7 1HG2 THR 7 -14.901 2.710 -6.173 63 2HG2 THR 7 2HG2 THR 7 -15.528 2.953 -7.804 64 3HG2 THR 7 3HG2 THR 7 -15.083 4.343 -6.813 65 H ALA 8 H ALA 8 -11.622 0.272 -8.402 66 HA ALA 8 HA ALA 8 -8.909 0.717 -8.285 67 1HB ALA 8 1HB ALA 8 -9.393 -1.319 -9.206 68 2HB ALA 8 2HB ALA 8 -8.988 -0.416 -10.667 69 3HB ALA 8 3HB ALA 8 -10.677 -0.674 -10.229 70 H SER 9 H SER 9 -11.271 2.419 -10.159 71 HA SER 9 HA SER 9 -9.620 3.519 -12.136 72 1HB SER 9 1HB SER 9 -12.064 3.712 -12.209 73 2HB SER 9 2HB SER 9 -12.037 4.745 -10.778 74 HG SER 9 HG SER 9 -10.992 5.307 -13.351 75 H GLU 10 H GLU 10 -9.751 4.071 -8.751 76 HA GLU 10 HA GLU 10 -8.449 6.647 -8.919 77 1HB GLU 10 1HB GLU 10 -9.292 5.005 -6.535 78 2HB GLU 10 2HB GLU 10 -8.566 6.603 -6.438 79 1HG GLU 10 1HG GLU 10 -10.456 7.549 -7.641 80 2HG GLU 10 2HG GLU 10 -11.180 5.949 -7.778 81 H PHE 11 H PHE 11 -7.708 3.338 -8.234 82 HA PHE 11 HA PHE 11 -5.069 3.919 -7.241 83 1HB PHE 11 1HB PHE 11 -6.557 2.008 -6.452 84 2HB PHE 11 2HB PHE 11 -6.169 1.210 -7.970 85 HD1 PHE 11 HD1 PHE 11 -5.519 -0.459 -5.990 86 HD2 PHE 11 HD2 PHE 11 -3.331 3.026 -7.087 87 HE1 PHE 11 HE1 PHE 11 -3.500 -1.400 -4.949 88 HE2 PHE 11 HE2 PHE 11 -1.310 2.086 -6.050 89 HZ PHE 11 HZ PHE 11 -1.396 -0.126 -4.977 90 H ASP 12 H ASP 12 -6.210 4.204 -10.212 91 HA ASP 12 HA ASP 12 -4.215 2.662 -11.645 92 1HB ASP 12 1HB ASP 12 -6.473 2.867 -12.585 93 2HB ASP 12 2HB ASP 12 -6.294 4.617 -12.652 94 H SER 13 H SER 13 -5.130 6.112 -11.567 95 HA SER 13 HA SER 13 -2.730 6.995 -12.780 96 1HB SER 13 1HB SER 13 -4.776 8.335 -12.849 97 2HB SER 13 2HB SER 13 -4.725 8.529 -11.097 98 HG SER 13 HG SER 13 -3.750 10.320 -11.805 99 H ALA 14 H ALA 14 -3.443 6.015 -9.588 100 HA ALA 14 HA ALA 14 -1.660 7.630 -8.126 101 1HB ALA 14 1HB ALA 14 -3.044 6.549 -6.693 102 2HB ALA 14 2HB ALA 14 -1.690 5.421 -6.632 103 3HB ALA 14 3HB ALA 14 -3.080 5.076 -7.662 104 H ILE 15 H ILE 15 -1.208 4.582 -9.854 105 HA ILE 15 HA ILE 15 1.566 4.422 -9.003 106 HB ILE 15 HB ILE 15 1.666 2.331 -10.261 107 1HG1 ILE 15 1HG1 ILE 15 -1.210 2.953 -10.974 108 2HG1 ILE 15 2HG1 ILE 15 0.145 2.844 -12.093 109 1HG2 ILE 15 1HG2 ILE 15 0.990 1.480 -8.330 110 2HG2 ILE 15 2HG2 ILE 15 -0.667 1.525 -8.931 111 3HG2 ILE 15 3HG2 ILE 15 -0.024 2.887 -8.014 112 1HD1 ILE 15 1HD1 ILE 15 -1.188 0.851 -12.225 113 2HD1 ILE 15 2HD1 ILE 15 -1.032 0.592 -10.487 114 3HD1 ILE 15 3HD1 ILE 15 0.386 0.465 -11.528 115 H ALA 16 H ALA 16 -0.195 4.743 -12.087 116 HA ALA 16 HA ALA 16 1.882 4.857 -13.850 117 1HB ALA 16 1HB ALA 16 -0.807 6.078 -13.773 118 2HB ALA 16 2HB ALA 16 -0.077 5.009 -14.971 119 3HB ALA 16 3HB ALA 16 0.325 6.726 -14.958 120 H GLN 17 H GLN 17 3.756 5.858 -13.457 121 HA GLN 17 HA GLN 17 5.269 7.473 -12.877 122 1HB GLN 17 1HB GLN 17 3.311 9.035 -14.563 123 2HB GLN 17 2HB GLN 17 4.897 9.632 -14.095 124 1HG GLN 17 1HG GLN 17 5.952 7.770 -15.265 125 2HG GLN 17 2HG GLN 17 4.358 7.163 -15.732 126 1HE2 GLN 17 1HE2 GLN 17 3.929 7.577 -17.760 127 2HE2 GLN 17 2HE2 GLN 17 4.355 9.007 -18.633 128 H ASP 18 H ASP 18 4.950 7.537 -10.637 129 HA ASP 18 HA ASP 18 4.221 10.077 -9.624 130 1HB ASP 18 1HB ASP 18 1.956 9.149 -9.915 131 2HB ASP 18 2HB ASP 18 2.393 7.780 -8.897 132 H LYS 19 H LYS 19 6.530 8.496 -9.506 133 HA LYS 19 HA LYS 19 8.142 7.863 -8.031 134 1HB LYS 19 1HB LYS 19 6.206 9.066 -6.063 135 2HB LYS 19 2HB LYS 19 7.851 8.604 -5.666 136 1HG LYS 19 1HG LYS 19 7.858 10.937 -6.009 137 2HG LYS 19 2HG LYS 19 8.624 10.213 -7.423 138 1HD LYS 19 1HD LYS 19 6.613 10.494 -8.718 139 2HD LYS 19 2HD LYS 19 5.731 11.059 -7.297 140 1HE LYS 19 1HE LYS 19 8.085 12.433 -8.590 141 2HE LYS 19 2HE LYS 19 6.396 12.914 -8.748 142 1HZ LYS 19 1HZ LYS 19 7.329 14.289 -7.104 143 2HZ LYS 19 2HZ LYS 19 8.087 12.998 -6.319 144 3HZ LYS 19 3HZ LYS 19 6.404 13.152 -6.259 145 H LEU 20 H LEU 20 7.783 6.860 -5.371 146 HA LEU 20 HA LEU 20 6.705 4.238 -6.060 147 1HB LEU 20 1HB LEU 20 8.946 4.140 -5.282 148 2HB LEU 20 2HB LEU 20 8.595 5.202 -3.921 149 HG LEU 20 HG LEU 20 7.304 2.497 -4.131 150 1HD1 LEU 20 1HD1 LEU 20 9.655 2.702 -2.402 151 2HD1 LEU 20 2HD1 LEU 20 10.019 2.763 -4.125 152 3HD1 LEU 20 3HD1 LEU 20 9.134 1.390 -3.459 153 1HD2 LEU 20 1HD2 LEU 20 6.278 3.550 -2.397 154 2HD2 LEU 20 2HD2 LEU 20 7.654 4.607 -2.084 155 3HD2 LEU 20 3HD2 LEU 20 7.687 2.931 -1.536 156 H VAL 21 H VAL 21 4.723 3.791 -5.474 157 HA VAL 21 HA VAL 21 3.561 5.124 -3.130 158 HB VAL 21 HB VAL 21 2.151 3.649 -5.360 159 1HG1 VAL 21 1HG1 VAL 21 1.014 3.769 -3.109 160 2HG1 VAL 21 2HG1 VAL 21 0.117 4.459 -4.462 161 3HG1 VAL 21 3HG1 VAL 21 0.955 5.517 -3.327 162 1HG2 VAL 21 1HG2 VAL 21 2.763 5.481 -6.529 163 2HG2 VAL 21 2HG2 VAL 21 3.053 6.443 -5.079 164 3HG2 VAL 21 3HG2 VAL 21 1.407 6.214 -5.670 165 H VAL 22 H VAL 22 3.124 3.996 -1.344 166 HA VAL 22 HA VAL 22 3.361 1.068 -1.455 167 HB VAL 22 HB VAL 22 3.500 2.888 0.956 168 1HG1 VAL 22 1HG1 VAL 22 3.461 1.078 2.253 169 2HG1 VAL 22 2HG1 VAL 22 4.651 0.250 1.249 170 3HG1 VAL 22 3HG1 VAL 22 2.939 0.165 0.837 171 1HG2 VAL 22 1HG2 VAL 22 5.674 3.168 0.575 172 2HG2 VAL 22 2HG2 VAL 22 5.419 2.466 -1.020 173 3HG2 VAL 22 3HG2 VAL 22 5.914 1.440 0.324 174 H VAL 23 H VAL 23 1.319 0.443 -2.035 175 HA VAL 23 HA VAL 23 -0.932 1.417 -0.435 176 HB VAL 23 HB VAL 23 -0.999 -0.294 -2.922 177 1HG1 VAL 23 1HG1 VAL 23 -3.215 1.303 -1.652 178 2HG1 VAL 23 2HG1 VAL 23 -2.966 -0.422 -1.381 179 3HG1 VAL 23 3HG1 VAL 23 -3.338 0.172 -3.000 180 1HG2 VAL 23 1HG2 VAL 23 -2.009 2.306 -3.391 181 2HG2 VAL 23 2HG2 VAL 23 -0.595 1.539 -4.108 182 3HG2 VAL 23 3HG2 VAL 23 -0.431 2.483 -2.629 183 H ASP 24 H ASP 24 -2.085 0.141 0.903 184 HA ASP 24 HA ASP 24 -1.041 -2.551 1.380 185 1HB ASP 24 1HB ASP 24 -1.082 -0.994 3.293 186 2HB ASP 24 2HB ASP 24 -2.834 -0.826 3.108 187 H PHE 25 H PHE 25 -2.202 -4.322 0.881 188 HA PHE 25 HA PHE 25 -4.927 -3.958 -0.093 189 1HB PHE 25 1HB PHE 25 -2.840 -6.108 -0.425 190 2HB PHE 25 2HB PHE 25 -4.517 -6.357 -0.903 191 HD1 PHE 25 HD1 PHE 25 -2.061 -3.556 -1.339 192 HD2 PHE 25 HD2 PHE 25 -4.787 -6.281 -3.136 193 HE1 PHE 25 HE1 PHE 25 -1.538 -2.607 -3.549 194 HE2 PHE 25 HE2 PHE 25 -4.289 -5.325 -5.341 195 HZ PHE 25 HZ PHE 25 -2.668 -3.483 -5.555 196 H TYR 26 H TYR 26 -4.835 -3.740 2.594 197 HA TYR 26 HA TYR 26 -4.970 -6.002 4.162 198 1HB TYR 26 1HB TYR 26 -6.613 -4.631 5.567 199 2HB TYR 26 2HB TYR 26 -5.026 -3.931 5.278 200 HD1 TYR 26 HD1 TYR 26 -8.300 -3.972 3.440 201 HD2 TYR 26 HD2 TYR 26 -5.078 -1.637 4.954 202 HE1 TYR 26 HE1 TYR 26 -9.348 -1.944 2.547 203 HE2 TYR 26 HE2 TYR 26 -6.131 0.376 4.112 204 HH TYR 26 HH TYR 26 -7.790 0.921 2.174 205 H ALA 27 H ALA 27 -6.456 -7.575 4.572 206 HA ALA 27 HA ALA 27 -8.322 -8.246 2.607 207 1HB ALA 27 1HB ALA 27 -9.271 -9.741 4.524 208 2HB ALA 27 2HB ALA 27 -7.836 -9.197 5.392 209 3HB ALA 27 3HB ALA 27 -7.667 -10.058 3.862 210 H THR 28 H THR 28 -10.680 -8.576 2.965 211 HA THR 28 HA THR 28 -11.810 -6.124 4.083 212 HB THR 28 HB THR 28 -12.423 -6.483 1.804 213 HG1 THR 28 HG1 THR 28 -14.738 -6.782 2.065 214 1HG2 THR 28 1HG2 THR 28 -13.464 -9.190 2.609 215 2HG2 THR 28 2HG2 THR 28 -12.039 -8.884 1.619 216 3HG2 THR 28 3HG2 THR 28 -13.639 -8.438 1.024 217 H TRP 29 H TRP 29 -11.034 -8.700 5.551 218 HA TRP 29 HA TRP 29 -13.526 -8.931 7.064 219 1HB TRP 29 1HB TRP 29 -12.987 -11.456 7.220 220 2HB TRP 29 2HB TRP 29 -13.728 -10.839 5.734 221 HD1 TRP 29 HD1 TRP 29 -12.137 -10.646 3.561 222 HE1 TRP 29 HE1 TRP 29 -9.979 -11.893 2.924 223 HE3 TRP 29 HE3 TRP 29 -10.877 -12.485 8.161 224 HZ2 TRP 29 HZ2 TRP 29 -8.000 -13.434 4.199 225 HZ3 TRP 29 HZ3 TRP 29 -8.828 -13.827 8.370 226 HH2 TRP 29 HH2 TRP 29 -7.419 -14.297 6.428 227 H CYS 30 H CYS 30 -10.042 -9.571 6.926 228 HA CYS 30 HA CYS 30 -9.384 -10.579 9.311 229 1HB CYS 30 1HB CYS 30 -7.747 -9.769 7.623 230 2HB CYS 30 2HB CYS 30 -8.028 -8.120 8.184 231 HG CYS 30 HG CYS 30 -6.349 -10.242 9.618 232 H GLY 31 H GLY 31 -9.470 -7.020 9.001 233 1HA GLY 31 1HA GLY 31 -10.901 -5.724 10.508 234 2HA GLY 31 2HA GLY 31 -10.562 -6.925 11.746 235 HA PRO 32 HA PRO 32 -7.161 -4.765 13.502 236 1HB PRO 32 1HB PRO 32 -5.340 -6.925 12.531 237 2HB PRO 32 2HB PRO 32 -5.493 -6.226 14.147 238 1HG PRO 32 1HG PRO 32 -6.535 -8.612 13.605 239 2HG PRO 32 2HG PRO 32 -7.390 -7.462 14.650 240 1HD PRO 32 1HD PRO 32 -7.949 -8.236 11.829 241 2HD PRO 32 2HD PRO 32 -9.075 -7.767 13.117 242 H CYS 33 H CYS 33 -6.788 -5.979 10.237 243 HA CYS 33 HA CYS 33 -4.499 -4.589 9.451 244 1HB CYS 33 1HB CYS 33 -6.932 -5.368 7.829 245 2HB CYS 33 2HB CYS 33 -5.408 -4.796 7.140 246 HG CYS 33 HG CYS 33 -4.972 -7.227 7.062 247 H LYS 34 H LYS 34 -7.673 -3.431 10.138 248 HA LYS 34 HA LYS 34 -7.513 -1.046 8.563 249 1HB LYS 34 1HB LYS 34 -9.677 -2.008 9.191 250 2HB LYS 34 2HB LYS 34 -9.316 -1.742 10.890 251 1HG LYS 34 1HG LYS 34 -10.832 -0.048 10.039 252 2HG LYS 34 2HG LYS 34 -9.291 0.666 10.520 253 1HD LYS 34 1HD LYS 34 -8.573 0.684 8.178 254 2HD LYS 34 2HD LYS 34 -10.115 -0.029 7.701 255 1HE LYS 34 1HE LYS 34 -10.104 2.382 7.328 256 2HE LYS 34 2HE LYS 34 -11.293 1.931 8.550 257 1HZ LYS 34 1HZ LYS 34 -8.634 2.648 9.504 258 2HZ LYS 34 2HZ LYS 34 -10.150 2.975 10.178 259 3HZ LYS 34 3HZ LYS 34 -9.581 3.908 8.887 260 H MET 35 H MET 35 -6.251 -2.003 11.600 261 HA MET 35 HA MET 35 -6.067 0.619 12.754 262 1HB MET 35 1HB MET 35 -4.582 -1.931 13.413 263 2HB MET 35 2HB MET 35 -4.571 -0.470 14.392 264 1HG MET 35 1HG MET 35 -6.980 -0.694 14.749 265 2HG MET 35 2HG MET 35 -6.981 -2.164 13.777 266 1HE MET 35 1HE MET 35 -5.042 -0.385 16.343 267 2HE MET 35 2HE MET 35 -4.064 -1.685 17.020 268 3HE MET 35 3HE MET 35 -5.547 -1.183 17.832 269 H ILE 36 H ILE 36 -4.693 -0.537 10.083 270 HA ILE 36 HA ILE 36 -1.967 0.332 10.470 271 HB ILE 36 HB ILE 36 -3.376 -0.509 7.939 272 1HG1 ILE 36 1HG1 ILE 36 -1.678 -2.159 9.823 273 2HG1 ILE 36 2HG1 ILE 36 -3.432 -2.257 9.697 274 1HG2 ILE 36 1HG2 ILE 36 -0.816 0.589 8.418 275 2HG2 ILE 36 2HG2 ILE 36 -1.493 -0.009 6.906 276 3HG2 ILE 36 3HG2 ILE 36 -0.603 -1.102 7.963 277 1HD1 ILE 36 1HD1 ILE 36 -1.362 -3.418 8.014 278 2HD1 ILE 36 2HD1 ILE 36 -2.644 -2.613 7.109 279 3HD1 ILE 36 3HD1 ILE 36 -3.043 -3.899 8.248 280 H ALA 37 H ALA 37 -4.937 1.728 9.496 281 HA ALA 37 HA ALA 37 -4.252 3.621 7.623 282 1HB ALA 37 1HB ALA 37 -6.536 3.123 8.604 283 2HB ALA 37 2HB ALA 37 -6.180 4.816 8.262 284 3HB ALA 37 3HB ALA 37 -6.100 4.215 9.917 285 HA PRO 38 HA PRO 38 -2.843 6.585 11.175 286 1HB PRO 38 1HB PRO 38 -1.818 5.377 13.402 287 2HB PRO 38 2HB PRO 38 -3.494 5.931 13.269 288 1HG PRO 38 1HG PRO 38 -2.378 3.182 13.021 289 2HG PRO 38 2HG PRO 38 -3.913 3.715 13.724 290 1HD PRO 38 1HD PRO 38 -3.671 2.589 11.250 291 2HD PRO 38 2HD PRO 38 -4.980 3.682 11.696 292 H MET 39 H MET 39 -1.190 3.424 11.136 293 HA MET 39 HA MET 39 1.421 4.410 11.244 294 1HB MET 39 1HB MET 39 0.214 1.881 10.130 295 2HB MET 39 2HB MET 39 1.935 2.176 10.165 296 1HG MET 39 1HG MET 39 0.148 2.132 12.569 297 2HG MET 39 2HG MET 39 1.176 0.799 12.043 298 1HE MET 39 1HE MET 39 1.638 0.857 14.451 299 2HE MET 39 2HE MET 39 1.708 2.419 15.267 300 3HE MET 39 3HE MET 39 3.188 1.497 14.998 301 H ILE 40 H ILE 40 -0.389 3.162 8.432 302 HA ILE 40 HA ILE 40 1.298 3.819 6.398 303 HB ILE 40 HB ILE 40 -1.720 4.105 6.406 304 1HG1 ILE 40 1HG1 ILE 40 0.093 1.831 5.575 305 2HG1 ILE 40 2HG1 ILE 40 -0.971 1.869 6.974 306 1HG2 ILE 40 1HG2 ILE 40 0.093 3.785 4.014 307 2HG2 ILE 40 2HG2 ILE 40 -0.591 5.325 4.533 308 3HG2 ILE 40 3HG2 ILE 40 -1.654 4.021 4.009 309 1HD1 ILE 40 1HD1 ILE 40 -1.859 0.548 5.081 310 2HD1 ILE 40 2HD1 ILE 40 -1.914 2.026 4.124 311 3HD1 ILE 40 3HD1 ILE 40 -2.918 1.873 5.565 312 H GLU 41 H GLU 41 -0.609 5.987 8.336 313 HA GLU 41 HA GLU 41 -0.230 8.272 6.621 314 1HB GLU 41 1HB GLU 41 -2.235 7.949 8.067 315 2HB GLU 41 2HB GLU 41 -1.207 8.140 9.479 316 1HG GLU 41 1HG GLU 41 -1.588 10.241 7.353 317 2HG GLU 41 2HG GLU 41 -2.492 10.171 8.864 318 H LYS 42 H LYS 42 1.183 6.981 9.583 319 HA LYS 42 HA LYS 42 2.810 9.252 10.129 320 1HB LYS 42 1HB LYS 42 2.974 6.394 11.090 321 2HB LYS 42 2HB LYS 42 4.009 7.685 11.680 322 1HG LYS 42 1HG LYS 42 2.066 8.880 12.510 323 2HG LYS 42 2HG LYS 42 1.012 7.606 11.892 324 1HD LYS 42 1HD LYS 42 2.114 5.986 13.361 325 2HD LYS 42 2HD LYS 42 3.163 7.264 13.980 326 1HE LYS 42 1HE LYS 42 1.210 8.462 14.812 327 2HE LYS 42 2HE LYS 42 0.162 7.190 14.189 328 1HZ LYS 42 1HZ LYS 42 0.890 5.696 15.780 329 2HZ LYS 42 2HZ LYS 42 0.832 7.143 16.654 330 3HZ LYS 42 3HZ LYS 42 2.316 6.550 16.099 331 H PHE 43 H PHE 43 3.242 6.359 8.189 332 HA PHE 43 HA PHE 43 6.065 6.651 7.944 333 1HB PHE 43 1HB PHE 43 4.073 5.045 6.357 334 2HB PHE 43 2HB PHE 43 5.797 5.045 6.006 335 HD1 PHE 43 HD1 PHE 43 3.501 4.565 8.903 336 HD2 PHE 43 HD2 PHE 43 7.083 3.393 6.928 337 HE1 PHE 43 HE1 PHE 43 3.845 2.804 10.586 338 HE2 PHE 43 HE2 PHE 43 7.433 1.625 8.605 339 HZ PHE 43 HZ PHE 43 5.813 1.329 10.436 340 H SER 44 H SER 44 3.340 7.984 6.291 341 HA SER 44 HA SER 44 4.668 8.750 3.908 342 1HB SER 44 1HB SER 44 2.763 10.271 3.560 343 2HB SER 44 2HB SER 44 2.213 8.666 4.071 344 HG SER 44 HG SER 44 1.398 10.762 5.140 345 H GLU 45 H GLU 45 5.076 9.818 7.070 346 HA GLU 45 HA GLU 45 5.736 12.559 6.388 347 1HB GLU 45 1HB GLU 45 6.006 11.053 8.996 348 2HB GLU 45 2HB GLU 45 6.284 12.777 8.785 349 1HG GLU 45 1HG GLU 45 3.948 13.075 8.140 350 2HG GLU 45 2HG GLU 45 3.671 11.347 8.350 351 H GLN 46 H GLN 46 7.348 9.516 6.844 352 HA GLN 46 HA GLN 46 9.973 10.760 7.015 353 1HB GLN 46 1HB GLN 46 9.153 7.854 6.980 354 2HB GLN 46 2HB GLN 46 10.799 8.435 7.201 355 1HG GLN 46 1HG GLN 46 10.121 9.586 9.237 356 2HG GLN 46 2HG GLN 46 8.471 9.005 9.017 357 1HE2 GLN 46 1HE2 GLN 46 7.984 7.350 10.246 358 2HE2 GLN 46 2HE2 GLN 46 9.077 6.097 10.768 359 H TYR 47 H TYR 47 7.969 9.075 4.692 360 HA TYR 47 HA TYR 47 10.083 9.482 2.677 361 1HB TYR 47 1HB TYR 47 8.037 7.260 2.775 362 2HB TYR 47 2HB TYR 47 9.232 7.498 1.505 363 HD1 TYR 47 HD1 TYR 47 11.728 7.524 2.288 364 HD2 TYR 47 HD2 TYR 47 8.530 5.882 4.555 365 HE1 TYR 47 HE1 TYR 47 13.338 6.165 3.555 366 HE2 TYR 47 HE2 TYR 47 10.131 4.501 5.826 367 HH TYR 47 HH TYR 47 12.287 3.726 5.851 368 HA PRO 48 HA PRO 48 5.865 11.870 2.039 369 1HB PRO 48 1HB PRO 48 8.089 13.743 1.337 370 2HB PRO 48 2HB PRO 48 6.502 14.100 2.029 371 1HG PRO 48 1HG PRO 48 8.717 13.986 3.549 372 2HG PRO 48 2HG PRO 48 7.133 13.472 4.152 373 1HD PRO 48 1HD PRO 48 9.495 11.847 3.498 374 2HD PRO 48 2HD PRO 48 8.074 11.432 4.480 375 H GLN 49 H GLN 49 8.835 11.402 0.238 376 HA GLN 49 HA GLN 49 7.913 12.171 -2.299 377 1HB GLN 49 1HB GLN 49 9.999 10.093 -1.605 378 2HB GLN 49 2HB GLN 49 9.774 10.822 -3.190 379 1HG GLN 49 1HG GLN 49 10.330 13.011 -2.263 380 2HG GLN 49 2HG GLN 49 10.552 12.282 -0.676 381 1HE2 GLN 49 1HE2 GLN 49 11.641 10.049 -2.841 382 2HE2 GLN 49 2HE2 GLN 49 13.310 10.480 -2.879 383 H ALA 50 H ALA 50 7.649 9.174 -0.521 384 HA ALA 50 HA ALA 50 6.406 7.786 -2.759 385 1HB ALA 50 1HB ALA 50 7.905 6.468 -1.457 386 2HB ALA 50 2HB ALA 50 6.274 5.894 -1.114 387 3HB ALA 50 3HB ALA 50 7.106 6.931 0.044 388 H ASP 51 H ASP 51 4.249 7.323 -2.917 389 HA ASP 51 HA ASP 51 2.481 8.786 -1.127 390 1HB ASP 51 1HB ASP 51 1.877 7.242 -3.658 391 2HB ASP 51 2HB ASP 51 0.716 8.209 -2.755 392 H PHE 52 H PHE 52 1.511 7.863 0.542 393 HA PHE 52 HA PHE 52 1.487 4.943 0.705 394 1HB PHE 52 1HB PHE 52 1.124 7.062 2.829 395 2HB PHE 52 2HB PHE 52 1.002 5.321 3.126 396 HD1 PHE 52 HD1 PHE 52 3.365 7.693 1.463 397 HD2 PHE 52 HD2 PHE 52 2.853 4.324 4.010 398 HE1 PHE 52 HE1 PHE 52 5.800 7.576 1.792 399 HE2 PHE 52 HE2 PHE 52 5.286 4.200 4.344 400 HZ PHE 52 HZ PHE 52 6.764 5.829 3.236 401 H TYR 53 H TYR 53 -0.284 4.450 -0.558 402 HA TYR 53 HA TYR 53 -2.885 5.498 0.301 403 1HB TYR 53 1HB TYR 53 -1.928 4.155 -2.213 404 2HB TYR 53 2HB TYR 53 -3.644 4.216 -1.824 405 HD1 TYR 53 HD1 TYR 53 -4.541 6.626 -1.207 406 HD2 TYR 53 HD2 TYR 53 -1.032 5.866 -3.486 407 HE1 TYR 53 HE1 TYR 53 -4.696 8.874 -2.186 408 HE2 TYR 53 HE2 TYR 53 -1.174 8.116 -4.468 409 HH TYR 53 HH TYR 53 -2.150 10.278 -3.986 410 H LYS 54 H LYS 54 -4.647 3.625 -0.210 411 HA LYS 54 HA LYS 54 -3.748 1.124 1.019 412 1HB LYS 54 1HB LYS 54 -6.240 2.528 1.978 413 2HB LYS 54 2HB LYS 54 -5.437 1.129 2.680 414 1HG LYS 54 1HG LYS 54 -3.744 2.400 3.608 415 2HG LYS 54 2HG LYS 54 -4.017 3.754 2.514 416 1HD LYS 54 1HD LYS 54 -4.774 4.262 4.786 417 2HD LYS 54 2HD LYS 54 -6.113 4.264 3.639 418 1HE LYS 54 1HE LYS 54 -6.754 2.032 4.362 419 2HE LYS 54 2HE LYS 54 -5.389 1.985 5.478 420 1HZ LYS 54 1HZ LYS 54 -7.847 3.608 5.630 421 2HZ LYS 54 2HZ LYS 54 -6.450 4.085 6.453 422 3HZ LYS 54 3HZ LYS 54 -7.169 2.595 6.803 423 H LEU 55 H LEU 55 -4.630 -0.623 0.085 424 HA LEU 55 HA LEU 55 -6.647 -0.176 -1.977 425 1HB LEU 55 1HB LEU 55 -4.520 -1.362 -2.510 426 2HB LEU 55 2HB LEU 55 -5.006 -2.641 -1.417 427 HG LEU 55 HG LEU 55 -5.382 -3.152 -3.828 428 1HD1 LEU 55 1HD1 LEU 55 -6.916 -3.795 -1.670 429 2HD1 LEU 55 2HD1 LEU 55 -7.079 -4.498 -3.279 430 3HD1 LEU 55 3HD1 LEU 55 -8.116 -3.157 -2.793 431 1HD2 LEU 55 1HD2 LEU 55 -6.777 -1.957 -5.169 432 2HD2 LEU 55 2HD2 LEU 55 -6.212 -0.652 -4.125 433 3HD2 LEU 55 3HD2 LEU 55 -7.778 -1.405 -3.825 434 H ASP 56 H ASP 56 -8.685 -0.732 -1.754 435 HA ASP 56 HA ASP 56 -9.571 -2.026 0.656 436 1HB ASP 56 1HB ASP 56 -10.964 -0.721 -1.674 437 2HB ASP 56 2HB ASP 56 -11.836 -1.514 -0.373 438 H VAL 57 H VAL 57 -9.629 -4.169 0.779 439 HA VAL 57 HA VAL 57 -9.830 -5.818 -1.584 440 HB VAL 57 HB VAL 57 -9.676 -6.561 1.351 441 1HG1 VAL 57 1HG1 VAL 57 -10.754 -8.383 0.259 442 2HG1 VAL 57 2HG1 VAL 57 -9.059 -8.838 0.433 443 3HG1 VAL 57 3HG1 VAL 57 -9.669 -8.287 -1.128 444 1HG2 VAL 57 1HG2 VAL 57 -7.675 -5.454 0.373 445 2HG2 VAL 57 2HG2 VAL 57 -7.584 -6.742 -0.829 446 3HG2 VAL 57 3HG2 VAL 57 -7.372 -7.115 0.883 447 H ASP 58 H ASP 58 -12.064 -4.245 0.319 448 HA ASP 58 HA ASP 58 -14.089 -6.310 0.297 449 1HB ASP 58 1HB ASP 58 -15.534 -4.621 1.330 450 2HB ASP 58 2HB ASP 58 -13.985 -4.707 2.164 451 H GLU 59 H GLU 59 -13.360 -3.324 -1.434 452 HA GLU 59 HA GLU 59 -15.661 -3.781 -3.189 453 1HB GLU 59 1HB GLU 59 -15.370 -1.525 -2.201 454 2HB GLU 59 2HB GLU 59 -13.823 -1.387 -3.024 455 1HG GLU 59 1HG GLU 59 -15.560 -0.189 -4.217 456 2HG GLU 59 2HG GLU 59 -14.938 -1.527 -5.180 457 H LEU 60 H LEU 60 -12.212 -3.976 -3.105 458 HA LEU 60 HA LEU 60 -12.192 -4.526 -6.000 459 1HB LEU 60 1HB LEU 60 -9.940 -3.450 -4.302 460 2HB LEU 60 2HB LEU 60 -9.825 -3.847 -6.003 461 HG LEU 60 HG LEU 60 -11.515 -2.089 -6.489 462 1HD1 LEU 60 1HD1 LEU 60 -12.787 -1.540 -4.723 463 2HD1 LEU 60 2HD1 LEU 60 -11.484 -0.403 -4.377 464 3HD1 LEU 60 3HD1 LEU 60 -11.535 -1.962 -3.554 465 1HD2 LEU 60 1HD2 LEU 60 -9.938 -0.447 -6.612 466 2HD2 LEU 60 2HD2 LEU 60 -8.892 -1.826 -6.276 467 3HD2 LEU 60 3HD2 LEU 60 -9.352 -0.731 -4.973 468 H GLY 61 H GLY 61 -12.904 -6.578 -4.393 469 1HA GLY 61 1HA GLY 61 -10.834 -8.139 -3.322 470 2HA GLY 61 2HA GLY 61 -12.381 -8.754 -3.883 471 H ASP 62 H ASP 62 -11.619 -7.472 -6.593 472 HA ASP 62 HA ASP 62 -10.521 -9.862 -7.708 473 1HB ASP 62 1HB ASP 62 -11.135 -7.229 -8.981 474 2HB ASP 62 2HB ASP 62 -10.716 -8.690 -9.856 475 H VAL 63 H VAL 63 -9.263 -6.764 -6.767 476 HA VAL 63 HA VAL 63 -6.844 -6.966 -8.289 477 HB VAL 63 HB VAL 63 -7.297 -5.227 -5.864 478 1HG1 VAL 63 1HG1 VAL 63 -5.005 -5.641 -7.196 479 2HG1 VAL 63 2HG1 VAL 63 -5.428 -4.097 -6.453 480 3HG1 VAL 63 3HG1 VAL 63 -5.690 -4.347 -8.178 481 1HG2 VAL 63 1HG2 VAL 63 -8.115 -3.505 -7.352 482 2HG2 VAL 63 2HG2 VAL 63 -9.124 -4.943 -7.502 483 3HG2 VAL 63 3HG2 VAL 63 -7.927 -4.575 -8.742 484 H ALA 64 H ALA 64 -7.557 -7.256 -4.793 485 HA ALA 64 HA ALA 64 -5.031 -8.053 -3.912 486 1HB ALA 64 1HB ALA 64 -6.393 -7.672 -2.133 487 2HB ALA 64 2HB ALA 64 -6.572 -9.425 -2.217 488 3HB ALA 64 3HB ALA 64 -7.807 -8.378 -2.916 489 H GLN 65 H GLN 65 -7.466 -9.797 -5.675 490 HA GLN 65 HA GLN 65 -6.181 -12.371 -5.244 491 1HB GLN 65 1HB GLN 65 -8.627 -12.276 -5.281 492 2HB GLN 65 2HB GLN 65 -8.589 -11.609 -6.907 493 1HG GLN 65 1HG GLN 65 -7.577 -13.675 -7.730 494 2HG GLN 65 2HG GLN 65 -7.623 -14.342 -6.099 495 1HE2 GLN 65 1HE2 GLN 65 -9.226 -15.695 -5.792 496 2HE2 GLN 65 2HE2 GLN 65 -10.786 -15.622 -6.528 497 H LYS 66 H LYS 66 -6.330 -9.826 -7.605 498 HA LYS 66 HA LYS 66 -5.373 -11.322 -9.815 499 1HB LYS 66 1HB LYS 66 -6.185 -9.459 -10.742 500 2HB LYS 66 2HB LYS 66 -6.121 -8.602 -9.217 501 1HG LYS 66 1HG LYS 66 -4.816 -7.396 -10.779 502 2HG LYS 66 2HG LYS 66 -3.710 -8.167 -9.644 503 1HD LYS 66 1HD LYS 66 -3.304 -9.960 -11.276 504 2HD LYS 66 2HD LYS 66 -4.400 -9.168 -12.408 505 1HE LYS 66 1HE LYS 66 -1.837 -8.012 -11.317 506 2HE LYS 66 2HE LYS 66 -2.066 -8.674 -12.935 507 1HZ LYS 66 1HZ LYS 66 -3.351 -6.256 -11.794 508 2HZ LYS 66 2HZ LYS 66 -3.795 -6.943 -13.274 509 3HZ LYS 66 3HZ LYS 66 -2.236 -6.321 -13.065 510 H ASN 67 H ASN 67 -3.822 -9.119 -7.496 511 HA ASN 67 HA ASN 67 -1.195 -9.634 -8.496 512 1HB ASN 67 1HB ASN 67 -2.215 -8.229 -6.020 513 2HB ASN 67 2HB ASN 67 -0.520 -8.295 -6.503 514 1HD2 ASN 67 1HD2 ASN 67 -3.182 -6.431 -6.543 515 2HD2 ASN 67 2HD2 ASN 67 -2.837 -5.438 -7.933 516 H GLU 68 H GLU 68 -3.263 -11.516 -6.770 517 HA GLU 68 HA GLU 68 -3.028 -13.435 -5.596 518 1HB GLU 68 1HB GLU 68 -0.075 -13.097 -6.148 519 2HB GLU 68 2HB GLU 68 -0.847 -14.556 -5.546 520 1HG GLU 68 1HG GLU 68 -2.122 -14.747 -7.610 521 2HG GLU 68 2HG GLU 68 -1.372 -13.270 -8.215 522 H VAL 69 H VAL 69 -3.147 -10.950 -4.215 523 HA VAL 69 HA VAL 69 -1.481 -11.556 -1.857 524 HB VAL 69 HB VAL 69 -2.690 -8.882 -2.580 525 1HG1 VAL 69 1HG1 VAL 69 -0.610 -9.545 -0.496 526 2HG1 VAL 69 2HG1 VAL 69 -2.333 -9.375 -0.152 527 3HG1 VAL 69 3HG1 VAL 69 -1.418 -7.997 -0.762 528 1HG2 VAL 69 1HG2 VAL 69 0.238 -9.223 -2.576 529 2HG2 VAL 69 2HG2 VAL 69 -0.797 -8.279 -3.649 530 3HG2 VAL 69 3HG2 VAL 69 -0.621 -10.017 -3.896 531 H SER 70 H SER 70 -3.323 -13.144 -1.524 532 HA SER 70 HA SER 70 -5.831 -12.015 -0.654 533 1HB SER 70 1HB SER 70 -6.469 -14.329 -0.152 534 2HB SER 70 2HB SER 70 -5.775 -14.203 -1.779 535 HG SER 70 HG SER 70 -3.809 -14.981 -0.912 536 H ALA 71 H ALA 71 -2.820 -12.350 0.762 537 HA ALA 71 HA ALA 71 -3.369 -13.192 3.365 538 1HB ALA 71 1HB ALA 71 -1.314 -12.167 3.999 539 2HB ALA 71 2HB ALA 71 -1.366 -11.068 2.621 540 3HB ALA 71 3HB ALA 71 -1.101 -12.793 2.364 541 H MET 72 H MET 72 -2.645 -11.130 5.095 542 HA MET 72 HA MET 72 -4.125 -8.773 4.706 543 1HB MET 72 1HB MET 72 -6.036 -9.138 6.133 544 2HB MET 72 2HB MET 72 -6.032 -10.296 4.814 545 1HG MET 72 1HG MET 72 -5.119 -10.865 7.616 546 2HG MET 72 2HG MET 72 -6.693 -11.280 6.955 547 1HE MET 72 1HE MET 72 -5.306 -14.789 7.197 548 2HE MET 72 2HE MET 72 -6.179 -13.488 8.008 549 3HE MET 72 3HE MET 72 -4.436 -13.647 8.223 550 HA PRO 73 HA PRO 73 -3.528 -7.107 4.910 551 1HB PRO 73 1HB PRO 73 -1.950 -5.073 5.456 552 2HB PRO 73 2HB PRO 73 -3.382 -5.367 6.466 553 1HG PRO 73 1HG PRO 73 -0.518 -6.057 6.993 554 2HG PRO 73 2HG PRO 73 -1.714 -5.352 8.091 555 1HD PRO 73 1HD PRO 73 -1.054 -8.044 7.979 556 2HD PRO 73 2HD PRO 73 -2.563 -7.389 8.651 557 H THR 74 H THR 74 -1.670 -5.685 3.610 558 HA THR 74 HA THR 74 0.828 -7.061 3.295 559 HB THR 74 HB THR 74 -1.155 -7.187 1.015 560 HG1 THR 74 HG1 THR 74 -1.704 -9.019 1.842 561 1HG2 THR 74 1HG2 THR 74 1.659 -7.291 0.987 562 2HG2 THR 74 2HG2 THR 74 0.539 -7.608 -0.335 563 3HG2 THR 74 3HG2 THR 74 1.070 -8.928 0.706 564 H LEU 75 H LEU 75 2.334 -5.799 2.206 565 HA LEU 75 HA LEU 75 1.341 -3.154 1.382 566 1HB LEU 75 1HB LEU 75 4.100 -3.922 2.327 567 2HB LEU 75 2HB LEU 75 3.582 -2.308 1.882 568 HG LEU 75 HG LEU 75 2.724 -3.920 4.278 569 1HD1 LEU 75 1HD1 LEU 75 4.885 -2.467 4.106 570 2HD1 LEU 75 2HD1 LEU 75 3.865 -2.390 5.540 571 3HD1 LEU 75 3HD1 LEU 75 3.755 -1.130 4.315 572 1HD2 LEU 75 1HD2 LEU 75 1.205 -2.113 4.840 573 2HD2 LEU 75 2HD2 LEU 75 0.761 -2.818 3.287 574 3HD2 LEU 75 3HD2 LEU 75 1.612 -1.274 3.343 575 H LEU 76 H LEU 76 1.453 -2.626 -0.673 576 HA LEU 76 HA LEU 76 3.331 -4.083 -2.411 577 1HB LEU 76 1HB LEU 76 0.611 -2.928 -3.031 578 2HB LEU 76 2HB LEU 76 1.710 -3.545 -4.260 579 HG LEU 76 HG LEU 76 0.299 -5.089 -2.091 580 1HD1 LEU 76 1HD1 LEU 76 -1.077 -5.777 -3.694 581 2HD1 LEU 76 2HD1 LEU 76 0.253 -6.115 -4.801 582 3HD1 LEU 76 3HD1 LEU 76 -0.409 -4.484 -4.688 583 1HD2 LEU 76 1HD2 LEU 76 2.276 -6.215 -1.978 584 2HD2 LEU 76 2HD2 LEU 76 2.763 -5.753 -3.609 585 3HD2 LEU 76 3HD2 LEU 76 1.569 -7.030 -3.373 586 H LEU 77 H LEU 77 4.853 -2.931 -3.408 587 HA LEU 77 HA LEU 77 4.595 0.002 -3.404 588 1HB LEU 77 1HB LEU 77 7.062 -1.737 -3.438 589 2HB LEU 77 2HB LEU 77 7.083 0.011 -3.585 590 HG LEU 77 HG LEU 77 6.072 0.187 -1.330 591 1HD1 LEU 77 1HD1 LEU 77 6.084 -2.769 -1.586 592 2HD1 LEU 77 2HD1 LEU 77 4.907 -1.701 -0.822 593 3HD1 LEU 77 3HD1 LEU 77 6.424 -2.072 -0.003 594 1HD2 LEU 77 1HD2 LEU 77 8.174 -1.020 -0.203 595 2HD2 LEU 77 2HD2 LEU 77 8.301 0.500 -1.089 596 3HD2 LEU 77 3HD2 LEU 77 8.713 -1.021 -1.883 597 H PHE 78 H PHE 78 4.600 1.090 -5.267 598 HA PHE 78 HA PHE 78 5.370 -0.323 -7.738 599 1HB PHE 78 1HB PHE 78 2.981 1.508 -7.424 600 2HB PHE 78 2HB PHE 78 3.441 0.625 -8.874 601 HD1 PHE 78 HD1 PHE 78 3.634 -1.996 -8.536 602 HD2 PHE 78 HD2 PHE 78 1.357 0.624 -6.074 603 HE1 PHE 78 HE1 PHE 78 2.249 -3.893 -7.802 604 HE2 PHE 78 HE2 PHE 78 -0.028 -1.269 -5.338 605 HZ PHE 78 HZ PHE 78 0.412 -3.526 -6.200 606 H LYS 79 H LYS 79 6.838 0.789 -8.927 607 HA LYS 79 HA LYS 79 7.085 3.688 -8.414 608 1HB LYS 79 1HB LYS 79 9.107 1.591 -9.113 609 2HB LYS 79 2HB LYS 79 9.413 3.268 -9.535 610 1HG LYS 79 1HG LYS 79 9.227 3.913 -7.201 611 2HG LYS 79 2HG LYS 79 8.858 2.250 -6.750 612 1HD LYS 79 1HD LYS 79 11.198 2.769 -6.315 613 2HD LYS 79 2HD LYS 79 11.055 1.545 -7.578 614 1HE LYS 79 1HE LYS 79 12.743 3.206 -8.155 615 2HE LYS 79 2HE LYS 79 11.390 3.260 -9.284 616 1HZ LYS 79 1HZ LYS 79 12.123 5.475 -8.600 617 2HZ LYS 79 2HZ LYS 79 11.764 5.107 -6.988 618 3HZ LYS 79 3HZ LYS 79 10.523 5.178 -8.135 619 H ASN 80 H ASN 80 6.614 5.073 -10.006 620 HA ASN 80 HA ASN 80 5.890 5.843 -12.023 621 1HB ASN 80 1HB ASN 80 8.143 4.046 -12.927 622 2HB ASN 80 2HB ASN 80 7.337 5.214 -13.969 623 1HD2 ASN 80 1HD2 ASN 80 8.348 7.059 -14.167 624 2HD2 ASN 80 2HD2 ASN 80 9.380 7.795 -12.992 625 H GLY 81 H GLY 81 4.060 4.153 -11.273 626 1HA GLY 81 1HA GLY 81 2.353 2.815 -11.991 627 2HA GLY 81 2HA GLY 81 2.853 3.246 -13.621 628 H LYS 82 H LYS 82 5.255 1.725 -11.726 629 HA LYS 82 HA LYS 82 4.749 -0.830 -13.103 630 1HB LYS 82 1HB LYS 82 7.411 0.345 -12.277 631 2HB LYS 82 2HB LYS 82 7.172 -1.185 -13.104 632 1HG LYS 82 1HG LYS 82 6.273 -0.016 -15.041 633 2HG LYS 82 2HG LYS 82 6.499 1.525 -14.216 634 1HD LYS 82 1HD LYS 82 8.321 1.096 -15.780 635 2HD LYS 82 2HD LYS 82 8.908 1.125 -14.116 636 1HE LYS 82 1HE LYS 82 9.907 -0.711 -15.378 637 2HE LYS 82 2HE LYS 82 8.902 -1.312 -14.060 638 1HZ LYS 82 1HZ LYS 82 7.857 -1.042 -16.814 639 2HZ LYS 82 2HZ LYS 82 7.235 -1.964 -15.540 640 3HZ LYS 82 3HZ LYS 82 8.668 -2.437 -16.304 641 H GLU 83 H GLU 83 6.886 -2.108 -11.598 642 HA GLU 83 HA GLU 83 5.473 -2.426 -9.042 643 1HB GLU 83 1HB GLU 83 5.501 -4.416 -10.495 644 2HB GLU 83 2HB GLU 83 7.256 -4.361 -10.540 645 1HG GLU 83 1HG GLU 83 7.385 -4.878 -8.200 646 2HG GLU 83 2HG GLU 83 5.631 -4.775 -8.042 647 H VAL 84 H VAL 84 7.027 -3.262 -7.255 648 HA VAL 84 HA VAL 84 9.673 -2.070 -7.438 649 HB VAL 84 HB VAL 84 7.842 -1.426 -5.209 650 1HG1 VAL 84 1HG1 VAL 84 10.262 0.160 -5.651 651 2HG1 VAL 84 2HG1 VAL 84 10.532 -1.503 -5.133 652 3HG1 VAL 84 3HG1 VAL 84 9.550 -0.420 -4.146 653 1HG2 VAL 84 1HG2 VAL 84 7.662 0.799 -6.081 654 2HG2 VAL 84 2HG2 VAL 84 7.189 -0.345 -7.335 655 3HG2 VAL 84 3HG2 VAL 84 8.781 0.406 -7.386 656 H ALA 85 H ALA 85 7.492 -3.537 -5.044 657 HA ALA 85 HA ALA 85 9.080 -5.877 -4.773 658 1HB ALA 85 1HB ALA 85 10.391 -5.489 -2.978 659 2HB ALA 85 2HB ALA 85 9.225 -4.403 -2.224 660 3HB ALA 85 3HB ALA 85 10.268 -3.815 -3.519 661 H LYS 86 H LYS 86 8.264 -7.350 -3.163 662 HA LYS 86 HA LYS 86 5.526 -6.692 -2.298 663 1HB LYS 86 1HB LYS 86 5.003 -9.097 -2.554 664 2HB LYS 86 2HB LYS 86 5.459 -8.336 -4.073 665 1HG LYS 86 1HG LYS 86 7.721 -9.275 -3.839 666 2HG LYS 86 2HG LYS 86 7.212 -10.081 -2.356 667 1HD LYS 86 1HD LYS 86 6.026 -10.516 -5.096 668 2HD LYS 86 2HD LYS 86 7.148 -11.601 -4.274 669 1HE LYS 86 1HE LYS 86 5.516 -11.926 -2.479 670 2HE LYS 86 2HE LYS 86 4.396 -10.840 -3.301 671 1HZ LYS 86 1HZ LYS 86 3.848 -12.402 -4.808 672 2HZ LYS 86 2HZ LYS 86 4.356 -13.474 -3.602 673 3HZ LYS 86 3HZ LYS 86 5.401 -13.072 -4.870 674 H VAL 87 H VAL 87 5.418 -6.471 -0.176 675 HA VAL 87 HA VAL 87 6.848 -8.390 1.522 676 HB VAL 87 HB VAL 87 6.785 -5.414 2.043 677 1HG1 VAL 87 1HG1 VAL 87 8.232 -7.586 3.551 678 2HG1 VAL 87 2HG1 VAL 87 6.707 -6.863 4.062 679 3HG1 VAL 87 3HG1 VAL 87 8.162 -5.871 3.957 680 1HG2 VAL 87 1HG2 VAL 87 8.344 -5.736 0.310 681 2HG2 VAL 87 2HG2 VAL 87 8.951 -7.230 1.025 682 3HG2 VAL 87 3HG2 VAL 87 9.302 -5.681 1.791 683 H VAL 88 H VAL 88 4.730 -9.358 1.666 684 HA VAL 88 HA VAL 88 2.440 -8.055 2.606 685 HB VAL 88 HB VAL 88 2.235 -10.234 1.620 686 1HG1 VAL 88 1HG1 VAL 88 3.963 -11.621 1.971 687 2HG1 VAL 88 2HG1 VAL 88 3.076 -12.125 3.410 688 3HG1 VAL 88 3HG1 VAL 88 4.346 -10.907 3.537 689 1HG2 VAL 88 1HG2 VAL 88 1.575 -10.730 4.503 690 2HG2 VAL 88 2HG2 VAL 88 0.676 -11.190 3.058 691 3HG2 VAL 88 3HG2 VAL 88 0.720 -9.505 3.570 692 H GLY 89 H GLY 89 3.119 -6.654 4.284 693 1HA GLY 89 1HA GLY 89 2.516 -6.980 6.782 694 2HA GLY 89 2HA GLY 89 3.979 -7.953 6.778 695 H ALA 90 H ALA 90 2.847 -5.059 7.658 696 HA ALA 90 HA ALA 90 5.043 -3.390 6.760 697 1HB ALA 90 1HB ALA 90 2.509 -2.785 7.364 698 2HB ALA 90 2HB ALA 90 3.827 -1.622 7.509 699 3HB ALA 90 3HB ALA 90 3.247 -2.479 8.936 700 H ASN 91 H ASN 91 6.291 -5.374 7.949 701 HA ASN 91 HA ASN 91 6.609 -5.452 10.684 702 1HB ASN 91 1HB ASN 91 7.672 -7.050 9.154 703 2HB ASN 91 2HB ASN 91 8.759 -5.789 8.582 704 1HD2 ASN 91 1HD2 ASN 91 10.699 -5.880 9.422 705 2HD2 ASN 91 2HD2 ASN 91 11.109 -6.463 10.996 706 HA PRO 92 HA PRO 92 8.001 -1.435 11.970 707 1HB PRO 92 1HB PRO 92 9.707 -3.146 13.744 708 2HB PRO 92 2HB PRO 92 8.762 -1.704 14.145 709 1HG PRO 92 1HG PRO 92 7.810 -4.097 14.744 710 2HG PRO 92 2HG PRO 92 6.738 -2.852 14.072 711 1HD PRO 92 1HD PRO 92 7.891 -5.267 12.758 712 2HD PRO 92 2HD PRO 92 6.320 -4.482 12.501 713 H ALA 93 H ALA 93 10.194 -4.015 11.051 714 HA ALA 93 HA ALA 93 12.181 -1.977 10.291 715 1HB ALA 93 1HB ALA 93 13.955 -3.381 10.901 716 2HB ALA 93 2HB ALA 93 12.909 -4.795 11.020 717 3HB ALA 93 3HB ALA 93 12.800 -3.514 12.226 718 H ALA 94 H ALA 94 10.269 -2.544 8.459 719 HA ALA 94 HA ALA 94 11.832 -3.779 6.371 720 1HB ALA 94 1HB ALA 94 10.272 -5.436 5.706 721 2HB ALA 94 2HB ALA 94 9.063 -4.846 6.848 722 3HB ALA 94 3HB ALA 94 10.519 -5.645 7.440 723 H ILE 95 H ILE 95 8.447 -2.764 6.925 724 HA ILE 95 HA ILE 95 8.078 -1.704 4.368 725 HB ILE 95 HB ILE 95 6.188 -2.123 5.794 726 1HG1 ILE 95 1HG1 ILE 95 4.914 -0.107 5.469 727 2HG1 ILE 95 2HG1 ILE 95 6.375 0.872 5.416 728 1HG2 ILE 95 1HG2 ILE 95 7.668 -0.394 7.666 729 2HG2 ILE 95 2HG2 ILE 95 6.643 -1.794 7.978 730 3HG2 ILE 95 3HG2 ILE 95 5.914 -0.219 7.665 731 1HD1 ILE 95 1HD1 ILE 95 6.278 -1.263 3.416 732 2HD1 ILE 95 2HD1 ILE 95 6.723 0.435 3.250 733 3HD1 ILE 95 3HD1 ILE 95 5.023 -0.035 3.247 734 H LYS 96 H LYS 96 10.239 -0.647 6.687 735 HA LYS 96 HA LYS 96 10.002 2.182 6.016 736 1HB LYS 96 1HB LYS 96 11.697 2.568 7.689 737 2HB LYS 96 2HB LYS 96 10.481 1.490 8.359 738 1HG LYS 96 1HG LYS 96 11.951 -0.422 7.939 739 2HG LYS 96 2HG LYS 96 13.173 0.671 7.288 740 1HD LYS 96 1HD LYS 96 13.215 1.839 9.479 741 2HD LYS 96 2HD LYS 96 12.104 0.622 10.108 742 1HE LYS 96 1HE LYS 96 13.757 -1.124 9.589 743 2HE LYS 96 2HE LYS 96 14.867 0.115 9.007 744 1HZ LYS 96 1HZ LYS 96 13.826 0.496 11.693 745 2HZ LYS 96 2HZ LYS 96 15.384 0.755 11.089 746 3HZ LYS 96 3HZ LYS 96 14.884 -0.809 11.494 747 H GLN 97 H GLN 97 12.356 -0.459 5.733 748 HA GLN 97 HA GLN 97 14.183 1.102 4.182 749 1HB GLN 97 1HB GLN 97 14.015 -1.895 4.564 750 2HB GLN 97 2HB GLN 97 15.367 -1.037 3.837 751 1HG GLN 97 1HG GLN 97 15.759 0.129 5.950 752 2HG GLN 97 2HG GLN 97 14.412 -0.741 6.676 753 1HE2 GLN 97 1HE2 GLN 97 15.818 -2.878 4.606 754 2HE2 GLN 97 2HE2 GLN 97 16.912 -3.651 5.693 755 H ALA 98 H ALA 98 11.540 -1.084 3.516 756 HA ALA 98 HA ALA 98 12.055 -1.582 0.797 757 1HB ALA 98 1HB ALA 98 10.056 -2.643 0.782 758 2HB ALA 98 2HB ALA 98 9.229 -1.329 1.619 759 3HB ALA 98 3HB ALA 98 10.211 -2.477 2.530 760 H ILE 99 H ILE 99 10.647 1.130 2.463 761 HA ILE 99 HA ILE 99 9.762 2.401 0.000 762 HB ILE 99 HB ILE 99 9.689 3.414 2.846 763 1HG1 ILE 99 1HG1 ILE 99 7.532 2.138 1.152 764 2HG1 ILE 99 2HG1 ILE 99 8.330 1.394 2.532 765 1HG2 ILE 99 1HG2 ILE 99 9.579 5.292 1.419 766 2HG2 ILE 99 2HG2 ILE 99 7.911 4.938 1.865 767 3HG2 ILE 99 3HG2 ILE 99 8.519 4.462 0.280 768 1HD1 ILE 99 1HD1 ILE 99 7.250 3.916 3.313 769 2HD1 ILE 99 2HD1 ILE 99 6.860 2.302 3.906 770 3HD1 ILE 99 3HD1 ILE 99 6.005 2.960 2.512 771 H ALA 100 H ALA 100 12.642 2.154 1.671 772 HA ALA 100 HA ALA 100 13.534 4.872 1.159 773 1HB ALA 100 1HB ALA 100 15.747 3.637 2.055 774 2HB ALA 100 2HB ALA 100 14.508 2.593 2.752 775 3HB ALA 100 3HB ALA 100 14.512 4.318 3.113 776 H ALA 101 H ALA 101 15.283 1.841 0.634 777 HA ALA 101 HA ALA 101 16.910 2.683 -1.399 778 1HB ALA 101 1HB ALA 101 17.576 0.652 -0.651 779 2HB ALA 101 2HB ALA 101 16.701 0.118 -2.086 780 3HB ALA 101 3HB ALA 101 15.929 0.042 -0.503 781 H ASN 102 H ASN 102 13.546 1.721 -1.638 782 HA ASN 102 HA ASN 102 13.657 1.592 -4.524 783 1HB ASN 102 1HB ASN 102 11.441 1.242 -2.508 784 2HB ASN 102 2HB ASN 102 11.187 1.180 -4.253 785 1HD2 ASN 102 1HD2 ASN 102 11.620 -0.669 -1.618 786 2HD2 ASN 102 2HD2 ASN 102 12.299 -2.083 -2.343 787 H ALA 103 H ALA 103 11.511 3.382 -2.295 788 HA ALA 103 HA ALA 103 10.589 5.239 -4.120 789 1HB ALA 103 1HB ALA 103 9.968 4.774 -1.606 790 2HB ALA 103 2HB ALA 103 9.631 6.333 -2.359 791 3HB ALA 103 3HB ALA 103 11.045 6.142 -1.324 Start of MODEL 3 1 1H MET 1 1H MET 1 -0.182 12.021 2.492 2 2H MET 1 2H MET 1 0.098 12.636 4.069 3 3H MET 1 3H MET 1 -0.654 13.622 2.885 4 HA MET 1 HA MET 1 -2.000 12.411 4.715 5 1HB MET 1 1HB MET 1 -3.919 12.580 3.264 6 2HB MET 1 2HB MET 1 -2.822 13.900 2.897 7 1HG MET 1 1HG MET 1 -3.003 11.352 1.308 8 2HG MET 1 2HG MET 1 -3.858 12.838 0.911 9 1HE MET 1 1HE MET 1 -1.192 12.825 -1.889 10 2HE MET 1 2HE MET 1 -2.899 12.708 -1.461 11 3HE MET 1 3HE MET 1 -1.827 11.331 -1.199 12 H VAL 2 H VAL 2 -3.918 10.691 3.920 13 HA VAL 2 HA VAL 2 -2.730 8.285 2.832 14 HB VAL 2 HB VAL 2 -2.109 8.326 5.283 15 1HG1 VAL 2 1HG1 VAL 2 -3.887 7.687 6.884 16 2HG1 VAL 2 2HG1 VAL 2 -5.083 7.973 5.622 17 3HG1 VAL 2 3HG1 VAL 2 -4.094 9.307 6.218 18 1HG2 VAL 2 1HG2 VAL 2 -3.619 5.924 5.332 19 2HG2 VAL 2 2HG2 VAL 2 -1.909 6.145 4.963 20 3HG2 VAL 2 3HG2 VAL 2 -3.107 6.217 3.671 21 H THR 3 H THR 3 -4.243 7.080 1.799 22 HA THR 3 HA THR 3 -7.033 7.246 2.597 23 HB THR 3 HB THR 3 -6.091 8.095 -0.147 24 HG1 THR 3 HG1 THR 3 -5.931 9.816 1.177 25 1HG2 THR 3 1HG2 THR 3 -8.825 7.504 0.893 26 2HG2 THR 3 2HG2 THR 3 -8.089 7.060 -0.647 27 3HG2 THR 3 3HG2 THR 3 -8.578 8.729 -0.352 28 H GLN 4 H GLN 4 -8.396 5.679 1.530 29 HA GLN 4 HA GLN 4 -6.923 3.239 0.856 30 1HB GLN 4 1HB GLN 4 -9.918 3.549 1.124 31 2HB GLN 4 2HB GLN 4 -8.981 2.069 1.206 32 1HG GLN 4 1HG GLN 4 -9.640 2.542 3.404 33 2HG GLN 4 2HG GLN 4 -7.940 2.987 3.308 34 1HE2 GLN 4 1HE2 GLN 4 -7.658 4.647 4.627 35 2HE2 GLN 4 2HE2 GLN 4 -8.632 6.072 4.682 36 H PHE 5 H PHE 5 -8.440 1.880 -0.836 37 HA PHE 5 HA PHE 5 -9.125 3.646 -3.070 38 1HB PHE 5 1HB PHE 5 -7.305 1.246 -3.205 39 2HB PHE 5 2HB PHE 5 -8.097 1.930 -4.631 40 HD1 PHE 5 HD1 PHE 5 -7.875 4.841 -3.843 41 HD2 PHE 5 HD2 PHE 5 -5.061 1.645 -3.763 42 HE1 PHE 5 HE1 PHE 5 -6.044 6.456 -4.128 43 HE2 PHE 5 HE2 PHE 5 -3.228 3.262 -4.050 44 HZ PHE 5 HZ PHE 5 -3.716 5.665 -4.235 45 H LYS 6 H LYS 6 -11.292 3.343 -2.924 46 HA LYS 6 HA LYS 6 -12.467 0.753 -2.565 47 1HB LYS 6 1HB LYS 6 -13.706 3.383 -3.400 48 2HB LYS 6 2HB LYS 6 -14.608 1.932 -2.983 49 1HG LYS 6 1HG LYS 6 -12.791 3.467 -1.135 50 2HG LYS 6 2HG LYS 6 -14.555 3.523 -1.139 51 1HD LYS 6 1HD LYS 6 -14.628 1.132 -0.611 52 2HD LYS 6 2HD LYS 6 -12.864 1.080 -0.605 53 1HE LYS 6 1HE LYS 6 -14.599 2.716 1.243 54 2HE LYS 6 2HE LYS 6 -13.759 1.224 1.665 55 1HZ LYS 6 1HZ LYS 6 -11.655 2.326 1.238 56 2HZ LYS 6 2HZ LYS 6 -12.540 3.176 2.403 57 3HZ LYS 6 3HZ LYS 6 -12.456 3.755 0.816 58 H THR 7 H THR 7 -11.622 2.777 -5.280 59 HA THR 7 HA THR 7 -12.549 0.647 -7.087 60 HB THR 7 HB THR 7 -13.089 2.383 -8.766 61 HG1 THR 7 HG1 THR 7 -12.974 4.497 -8.274 62 1HG2 THR 7 1HG2 THR 7 -14.650 1.692 -6.607 63 2HG2 THR 7 2HG2 THR 7 -15.184 2.535 -8.061 64 3HG2 THR 7 3HG2 THR 7 -14.720 3.454 -6.629 65 H ALA 8 H ALA 8 -11.067 -0.067 -8.510 66 HA ALA 8 HA ALA 8 -8.372 0.571 -8.240 67 1HB ALA 8 1HB ALA 8 -9.522 -1.492 -9.321 68 2HB ALA 8 2HB ALA 8 -7.951 -0.961 -9.922 69 3HB ALA 8 3HB ALA 8 -9.420 -0.547 -10.807 70 H SER 9 H SER 9 -10.826 2.089 -10.142 71 HA SER 9 HA SER 9 -9.252 3.333 -12.092 72 1HB SER 9 1HB SER 9 -11.772 4.344 -10.750 73 2HB SER 9 2HB SER 9 -11.086 4.990 -12.241 74 HG SER 9 HG SER 9 -11.890 2.293 -11.889 75 H GLU 10 H GLU 10 -9.456 3.849 -8.706 76 HA GLU 10 HA GLU 10 -8.367 6.522 -8.843 77 1HB GLU 10 1HB GLU 10 -9.062 4.796 -6.471 78 2HB GLU 10 2HB GLU 10 -8.504 6.460 -6.371 79 1HG GLU 10 1HG GLU 10 -10.483 7.201 -7.589 80 2HG GLU 10 2HG GLU 10 -11.039 5.533 -7.705 81 H PHE 11 H PHE 11 -7.408 3.288 -8.026 82 HA PHE 11 HA PHE 11 -4.853 3.970 -6.973 83 1HB PHE 11 1HB PHE 11 -6.147 1.860 -6.474 84 2HB PHE 11 2HB PHE 11 -5.723 1.301 -8.087 85 HD1 PHE 11 HD1 PHE 11 -4.918 -0.594 -6.423 86 HD2 PHE 11 HD2 PHE 11 -3.028 3.191 -6.896 87 HE1 PHE 11 HE1 PHE 11 -2.826 -1.528 -5.530 88 HE2 PHE 11 HE2 PHE 11 -0.935 2.260 -6.014 89 HZ PHE 11 HZ PHE 11 -0.832 -0.098 -5.328 90 H ASP 12 H ASP 12 -6.113 3.270 -10.148 91 HA ASP 12 HA ASP 12 -3.831 2.554 -11.536 92 1HB ASP 12 1HB ASP 12 -6.077 2.542 -12.527 93 2HB ASP 12 2HB ASP 12 -6.103 4.302 -12.504 94 H SER 13 H SER 13 -5.131 5.862 -11.191 95 HA SER 13 HA SER 13 -2.966 7.161 -12.410 96 1HB SER 13 1HB SER 13 -3.831 9.205 -11.322 97 2HB SER 13 2HB SER 13 -5.124 8.262 -12.062 98 HG SER 13 HG SER 13 -5.356 7.327 -9.860 99 H ALA 14 H ALA 14 -3.542 6.230 -9.067 100 HA ALA 14 HA ALA 14 -1.605 7.639 -7.729 101 1HB ALA 14 1HB ALA 14 -2.683 6.445 -6.176 102 2HB ALA 14 2HB ALA 14 -1.470 5.205 -6.489 103 3HB ALA 14 3HB ALA 14 -3.035 5.131 -7.298 104 H ILE 15 H ILE 15 -1.169 4.462 -9.293 105 HA ILE 15 HA ILE 15 1.654 4.441 -8.794 106 HB ILE 15 HB ILE 15 1.710 2.422 -10.174 107 1HG1 ILE 15 1HG1 ILE 15 -1.223 3.015 -10.640 108 2HG1 ILE 15 2HG1 ILE 15 0.047 2.992 -11.858 109 1HG2 ILE 15 1HG2 ILE 15 0.145 2.817 -7.792 110 2HG2 ILE 15 2HG2 ILE 15 1.212 1.483 -8.227 111 3HG2 ILE 15 3HG2 ILE 15 -0.478 1.460 -8.731 112 1HD1 ILE 15 1HD1 ILE 15 -0.069 0.496 -10.423 113 2HD1 ILE 15 2HD1 ILE 15 -0.171 0.812 -12.155 114 3HD1 ILE 15 3HD1 ILE 15 -1.621 0.902 -11.154 115 H ALA 16 H ALA 16 -0.334 4.885 -11.712 116 HA ALA 16 HA ALA 16 1.530 5.092 -13.660 117 1HB ALA 16 1HB ALA 16 -0.990 6.653 -13.233 118 2HB ALA 16 2HB ALA 16 -0.691 5.303 -14.327 119 3HB ALA 16 3HB ALA 16 0.005 6.886 -14.669 120 H GLN 17 H GLN 17 3.501 5.952 -13.206 121 HA GLN 17 HA GLN 17 5.110 7.499 -12.712 122 1HB GLN 17 1HB GLN 17 3.169 9.231 -14.246 123 2HB GLN 17 2HB GLN 17 4.860 9.614 -13.955 124 1HG GLN 17 1HG GLN 17 5.528 7.633 -15.222 125 2HG GLN 17 2HG GLN 17 3.827 7.258 -15.522 126 1HE2 GLN 17 1HE2 GLN 17 6.487 8.540 -16.877 127 2HE2 GLN 17 2HE2 GLN 17 5.764 9.609 -18.025 128 H ASP 18 H ASP 18 4.919 7.615 -10.446 129 HA ASP 18 HA ASP 18 4.323 10.191 -9.458 130 1HB ASP 18 1HB ASP 18 2.013 9.156 -9.722 131 2HB ASP 18 2HB ASP 18 2.464 8.051 -8.427 132 H LYS 19 H LYS 19 6.562 8.481 -9.363 133 HA LYS 19 HA LYS 19 8.196 7.893 -7.874 134 1HB LYS 19 1HB LYS 19 6.271 9.122 -5.916 135 2HB LYS 19 2HB LYS 19 7.918 8.665 -5.521 136 1HG LYS 19 1HG LYS 19 8.822 10.314 -6.938 137 2HG LYS 19 2HG LYS 19 7.259 10.622 -7.700 138 1HD LYS 19 1HD LYS 19 6.422 11.466 -5.528 139 2HD LYS 19 2HD LYS 19 8.032 11.229 -4.847 140 1HE LYS 19 1HE LYS 19 7.711 13.551 -5.481 141 2HE LYS 19 2HE LYS 19 8.951 12.801 -6.485 142 1HZ LYS 19 1HZ LYS 19 7.449 12.638 -8.288 143 2HZ LYS 19 2HZ LYS 19 7.309 14.216 -7.695 144 3HZ LYS 19 3HZ LYS 19 6.122 13.069 -7.331 145 H LEU 20 H LEU 20 7.782 6.934 -5.184 146 HA LEU 20 HA LEU 20 6.787 4.277 -5.870 147 1HB LEU 20 1HB LEU 20 9.042 4.435 -4.936 148 2HB LEU 20 2HB LEU 20 8.401 5.237 -3.502 149 HG LEU 20 HG LEU 20 7.112 3.172 -2.985 150 1HD1 LEU 20 1HD1 LEU 20 8.114 2.423 -5.601 151 2HD1 LEU 20 2HD1 LEU 20 6.799 1.733 -4.651 152 3HD1 LEU 20 3HD1 LEU 20 8.458 1.204 -4.374 153 1HD2 LEU 20 1HD2 LEU 20 9.053 3.354 -1.735 154 2HD2 LEU 20 2HD2 LEU 20 10.099 3.177 -3.145 155 3HD2 LEU 20 3HD2 LEU 20 9.241 1.778 -2.502 156 H VAL 21 H VAL 21 4.769 3.839 -5.385 157 HA VAL 21 HA VAL 21 3.506 5.146 -3.083 158 HB VAL 21 HB VAL 21 2.204 3.671 -5.377 159 1HG1 VAL 21 1HG1 VAL 21 0.883 3.594 -3.326 160 2HG1 VAL 21 2HG1 VAL 21 0.118 4.627 -4.536 161 3HG1 VAL 21 3HG1 VAL 21 0.991 5.348 -3.183 162 1HG2 VAL 21 1HG2 VAL 21 1.406 6.252 -5.609 163 2HG2 VAL 21 2HG2 VAL 21 2.748 5.539 -6.504 164 3HG2 VAL 21 3HG2 VAL 21 3.059 6.461 -5.032 165 H VAL 22 H VAL 22 3.153 4.007 -1.294 166 HA VAL 22 HA VAL 22 3.415 1.088 -1.412 167 HB VAL 22 HB VAL 22 3.410 2.893 1.013 168 1HG1 VAL 22 1HG1 VAL 22 2.694 0.707 1.639 169 2HG1 VAL 22 2HG1 VAL 22 4.382 0.867 2.123 170 3HG1 VAL 22 3HG1 VAL 22 3.963 -0.049 0.676 171 1HG2 VAL 22 1HG2 VAL 22 5.431 2.470 -0.917 172 2HG2 VAL 22 2HG2 VAL 22 5.915 1.610 0.545 173 3HG2 VAL 22 3HG2 VAL 22 5.547 3.334 0.616 174 H VAL 23 H VAL 23 1.429 0.371 -2.027 175 HA VAL 23 HA VAL 23 -0.898 1.268 -0.482 176 HB VAL 23 HB VAL 23 -0.863 -0.368 -3.018 177 1HG1 VAL 23 1HG1 VAL 23 -3.215 0.149 -3.156 178 2HG1 VAL 23 2HG1 VAL 23 -3.117 1.138 -1.699 179 3HG1 VAL 23 3HG1 VAL 23 -2.874 -0.606 -1.599 180 1HG2 VAL 23 1HG2 VAL 23 -0.600 2.510 -2.553 181 2HG2 VAL 23 2HG2 VAL 23 -1.871 2.073 -3.691 182 3HG2 VAL 23 3HG2 VAL 23 -0.214 1.550 -3.981 183 H ASP 24 H ASP 24 -1.870 -0.029 0.929 184 HA ASP 24 HA ASP 24 -0.876 -2.767 1.190 185 1HB ASP 24 1HB ASP 24 -0.724 -1.325 3.180 186 2HB ASP 24 2HB ASP 24 -2.474 -1.075 3.130 187 H PHE 25 H PHE 25 -2.139 -4.503 0.800 188 HA PHE 25 HA PHE 25 -4.885 -4.024 -0.057 189 1HB PHE 25 1HB PHE 25 -2.911 -6.265 -0.466 190 2HB PHE 25 2HB PHE 25 -4.614 -6.432 -0.885 191 HD1 PHE 25 HD1 PHE 25 -2.022 -3.776 -1.401 192 HD2 PHE 25 HD2 PHE 25 -4.984 -6.309 -3.099 193 HE1 PHE 25 HE1 PHE 25 -1.533 -2.838 -3.623 194 HE2 PHE 25 HE2 PHE 25 -4.519 -5.367 -5.319 195 HZ PHE 25 HZ PHE 25 -2.798 -3.627 -5.587 196 H TYR 26 H TYR 26 -4.742 -3.798 2.602 197 HA TYR 26 HA TYR 26 -4.879 -6.071 4.177 198 1HB TYR 26 1HB TYR 26 -6.389 -4.629 5.659 199 2HB TYR 26 2HB TYR 26 -4.784 -4.010 5.304 200 HD1 TYR 26 HD1 TYR 26 -8.113 -3.865 3.569 201 HD2 TYR 26 HD2 TYR 26 -4.752 -1.713 5.044 202 HE1 TYR 26 HE1 TYR 26 -9.087 -1.777 2.730 203 HE2 TYR 26 HE2 TYR 26 -5.727 0.376 4.244 204 HH TYR 26 HH TYR 26 -7.589 0.855 2.153 205 H ALA 27 H ALA 27 -6.397 -7.598 4.608 206 HA ALA 27 HA ALA 27 -8.416 -8.103 2.731 207 1HB ALA 27 1HB ALA 27 -7.627 -9.975 3.882 208 2HB ALA 27 2HB ALA 27 -9.257 -9.740 4.511 209 3HB ALA 27 3HB ALA 27 -7.865 -9.221 5.458 210 H THR 28 H THR 28 -10.725 -8.175 3.033 211 HA THR 28 HA THR 28 -11.661 -5.805 4.399 212 HB THR 28 HB THR 28 -12.506 -6.094 2.197 213 HG1 THR 28 HG1 THR 28 -14.780 -6.293 2.646 214 1HG2 THR 28 1HG2 THR 28 -13.961 -8.036 1.611 215 2HG2 THR 28 2HG2 THR 28 -13.373 -8.837 3.069 216 3HG2 THR 28 3HG2 THR 28 -12.248 -8.418 1.778 217 H TRP 29 H TRP 29 -11.033 -8.753 5.513 218 HA TRP 29 HA TRP 29 -13.349 -8.767 7.330 219 1HB TRP 29 1HB TRP 29 -12.926 -11.304 7.440 220 2HB TRP 29 2HB TRP 29 -13.716 -10.661 5.991 221 HD1 TRP 29 HD1 TRP 29 -12.205 -10.526 3.741 222 HE1 TRP 29 HE1 TRP 29 -10.145 -11.885 3.011 223 HE3 TRP 29 HE3 TRP 29 -10.858 -12.454 8.278 224 HZ2 TRP 29 HZ2 TRP 29 -8.199 -13.542 4.203 225 HZ3 TRP 29 HZ3 TRP 29 -8.879 -13.907 8.401 226 HH2 TRP 29 HH2 TRP 29 -7.578 -14.443 6.405 227 H CYS 30 H CYS 30 -9.920 -9.486 6.913 228 HA CYS 30 HA CYS 30 -8.967 -10.563 9.107 229 1HB CYS 30 1HB CYS 30 -7.526 -9.509 7.441 230 2HB CYS 30 2HB CYS 30 -7.964 -7.912 8.047 231 HG CYS 30 HG CYS 30 -5.639 -9.275 8.990 232 H GLY 31 H GLY 31 -9.171 -7.003 9.302 233 1HA GLY 31 1HA GLY 31 -10.668 -6.075 11.071 234 2HA GLY 31 2HA GLY 31 -10.037 -7.343 12.110 235 HA PRO 32 HA PRO 32 -6.874 -4.739 13.700 236 1HB PRO 32 1HB PRO 32 -4.610 -6.316 13.352 237 2HB PRO 32 2HB PRO 32 -5.724 -6.415 14.718 238 1HG PRO 32 1HG PRO 32 -5.589 -8.096 12.254 239 2HG PRO 32 2HG PRO 32 -5.941 -8.576 13.925 240 1HD PRO 32 1HD PRO 32 -7.892 -8.336 12.107 241 2HD PRO 32 2HD PRO 32 -8.146 -7.854 13.798 242 H CYS 33 H CYS 33 -6.546 -6.055 10.508 243 HA CYS 33 HA CYS 33 -4.265 -4.810 9.559 244 1HB CYS 33 1HB CYS 33 -5.305 -4.959 7.328 245 2HB CYS 33 2HB CYS 33 -5.530 -6.447 8.257 246 HG CYS 33 HG CYS 33 -7.983 -4.913 8.685 247 H LYS 34 H LYS 34 -7.462 -3.481 10.114 248 HA LYS 34 HA LYS 34 -7.138 -1.076 8.680 249 1HB LYS 34 1HB LYS 34 -8.880 -1.638 11.087 250 2HB LYS 34 2HB LYS 34 -9.041 -0.258 10.009 251 1HG LYS 34 1HG LYS 34 -9.558 -1.760 8.156 252 2HG LYS 34 2HG LYS 34 -9.389 -3.146 9.234 253 1HD LYS 34 1HD LYS 34 -11.233 -2.292 10.608 254 2HD LYS 34 2HD LYS 34 -11.404 -0.916 9.515 255 1HE LYS 34 1HE LYS 34 -11.768 -3.821 8.785 256 2HE LYS 34 2HE LYS 34 -13.060 -2.647 9.032 257 1HZ LYS 34 1HZ LYS 34 -11.613 -1.390 7.199 258 2HZ LYS 34 2HZ LYS 34 -12.873 -2.449 6.810 259 3HZ LYS 34 3HZ LYS 34 -11.271 -2.990 6.767 260 H MET 35 H MET 35 -5.920 -2.109 11.740 261 HA MET 35 HA MET 35 -5.530 0.453 12.903 262 1HB MET 35 1HB MET 35 -4.066 -2.143 13.411 263 2HB MET 35 2HB MET 35 -3.981 -0.713 14.430 264 1HG MET 35 1HG MET 35 -6.372 -0.904 14.896 265 2HG MET 35 2HG MET 35 -6.450 -2.344 13.882 266 1HE MET 35 1HE MET 35 -4.979 -0.774 17.170 267 2HE MET 35 2HE MET 35 -3.537 -1.310 16.309 268 3HE MET 35 3HE MET 35 -4.024 -2.115 17.801 269 H ILE 36 H ILE 36 -4.131 -0.950 10.225 270 HA ILE 36 HA ILE 36 -1.496 0.209 10.552 271 HB ILE 36 HB ILE 36 -2.775 -1.326 8.294 272 1HG1 ILE 36 1HG1 ILE 36 -0.613 -2.030 10.288 273 2HG1 ILE 36 2HG1 ILE 36 -2.259 -2.658 10.270 274 1HG2 ILE 36 1HG2 ILE 36 -0.119 -1.381 7.754 275 2HG2 ILE 36 2HG2 ILE 36 -0.313 0.258 8.373 276 3HG2 ILE 36 3HG2 ILE 36 -1.278 -0.284 7.000 277 1HD1 ILE 36 1HD1 ILE 36 -0.048 -3.194 8.318 278 2HD1 ILE 36 2HD1 ILE 36 -1.733 -3.594 7.989 279 3HD1 ILE 36 3HD1 ILE 36 -0.901 -4.338 9.353 280 H ALA 37 H ALA 37 -4.543 1.108 9.260 281 HA ALA 37 HA ALA 37 -3.892 2.791 7.165 282 1HB ALA 37 1HB ALA 37 -6.102 2.806 9.178 283 2HB ALA 37 2HB ALA 37 -6.160 2.449 7.453 284 3HB ALA 37 3HB ALA 37 -5.961 4.113 8.004 285 HA PRO 38 HA PRO 38 -3.169 6.357 10.324 286 1HB PRO 38 1HB PRO 38 -2.431 5.646 12.850 287 2HB PRO 38 2HB PRO 38 -4.104 5.980 12.380 288 1HG PRO 38 1HG PRO 38 -2.737 3.375 12.816 289 2HG PRO 38 2HG PRO 38 -4.414 3.837 13.146 290 1HD PRO 38 1HD PRO 38 -3.589 2.355 10.983 291 2HD PRO 38 2HD PRO 38 -5.091 3.284 11.039 292 H MET 39 H MET 39 -1.314 3.368 10.832 293 HA MET 39 HA MET 39 1.174 4.621 11.242 294 1HB MET 39 1HB MET 39 0.266 1.883 10.443 295 2HB MET 39 2HB MET 39 1.959 2.300 10.323 296 1HG MET 39 1HG MET 39 1.574 1.204 12.407 297 2HG MET 39 2HG MET 39 1.957 2.895 12.713 298 1HE MET 39 1HE MET 39 -0.432 2.381 15.618 299 2HE MET 39 2HE MET 39 1.238 2.379 15.051 300 3HE MET 39 3HE MET 39 0.283 0.897 14.991 301 H ILE 40 H ILE 40 -0.238 3.045 8.380 302 HA ILE 40 HA ILE 40 1.658 3.554 6.485 303 HB ILE 40 HB ILE 40 -1.353 3.654 6.226 304 1HG1 ILE 40 1HG1 ILE 40 0.698 1.536 5.555 305 2HG1 ILE 40 2HG1 ILE 40 -0.431 1.508 6.902 306 1HG2 ILE 40 1HG2 ILE 40 0.711 3.626 4.023 307 2HG2 ILE 40 2HG2 ILE 40 -0.429 4.924 4.380 308 3HG2 ILE 40 3HG2 ILE 40 -1.019 3.367 3.797 309 1HD1 ILE 40 1HD1 ILE 40 -1.211 1.480 3.999 310 2HD1 ILE 40 2HD1 ILE 40 -2.300 1.334 5.379 311 3HD1 ILE 40 3HD1 ILE 40 -1.124 0.064 5.042 312 H GLU 41 H GLU 41 -0.447 5.830 8.039 313 HA GLU 41 HA GLU 41 0.013 7.967 6.169 314 1HB GLU 41 1HB GLU 41 -2.081 7.854 7.386 315 2HB GLU 41 2HB GLU 41 -1.232 7.910 8.923 316 1HG GLU 41 1HG GLU 41 -0.461 10.174 8.406 317 2HG GLU 41 2HG GLU 41 -1.317 10.112 6.866 318 H LYS 42 H LYS 42 1.209 7.024 9.357 319 HA LYS 42 HA LYS 42 2.712 9.343 9.883 320 1HB LYS 42 1HB LYS 42 3.115 6.515 10.866 321 2HB LYS 42 2HB LYS 42 3.920 7.931 11.527 322 1HG LYS 42 1HG LYS 42 1.763 8.858 12.192 323 2HG LYS 42 2HG LYS 42 0.947 7.448 11.513 324 1HD LYS 42 1HD LYS 42 1.183 7.237 13.931 325 2HD LYS 42 2HD LYS 42 2.130 6.003 13.098 326 1HE LYS 42 1HE LYS 42 4.151 7.344 13.403 327 2HE LYS 42 2HE LYS 42 3.207 8.591 14.219 328 1HZ LYS 42 1HZ LYS 42 4.470 6.884 15.629 329 2HZ LYS 42 2HZ LYS 42 3.221 5.818 15.226 330 3HZ LYS 42 3HZ LYS 42 2.875 7.249 16.059 331 H PHE 43 H PHE 43 3.423 6.478 7.999 332 HA PHE 43 HA PHE 43 6.235 6.989 7.834 333 1HB PHE 43 1HB PHE 43 4.425 5.164 6.254 334 2HB PHE 43 2HB PHE 43 6.160 5.271 5.987 335 HD1 PHE 43 HD1 PHE 43 3.792 4.806 8.837 336 HD2 PHE 43 HD2 PHE 43 7.468 3.699 7.005 337 HE1 PHE 43 HE1 PHE 43 4.168 3.143 10.611 338 HE2 PHE 43 HE2 PHE 43 7.851 2.033 8.773 339 HZ PHE 43 HZ PHE 43 6.201 1.752 10.578 340 H SER 44 H SER 44 3.481 8.214 6.224 341 HA SER 44 HA SER 44 4.746 8.901 3.761 342 1HB SER 44 1HB SER 44 2.315 8.675 3.902 343 2HB SER 44 2HB SER 44 2.244 10.017 5.055 344 HG SER 44 HG SER 44 3.098 11.356 3.388 345 H GLU 45 H GLU 45 5.178 10.086 6.851 346 HA GLU 45 HA GLU 45 5.636 12.844 6.050 347 1HB GLU 45 1HB GLU 45 6.003 11.481 8.723 348 2HB GLU 45 2HB GLU 45 6.180 13.205 8.431 349 1HG GLU 45 1HG GLU 45 3.831 13.341 7.789 350 2HG GLU 45 2HG GLU 45 3.651 11.611 8.076 351 H GLN 46 H GLN 46 7.420 9.926 6.653 352 HA GLN 46 HA GLN 46 9.970 11.322 6.741 353 1HB GLN 46 1HB GLN 46 9.269 8.390 6.911 354 2HB GLN 46 2HB GLN 46 10.909 9.023 7.007 355 1HG GLN 46 1HG GLN 46 10.301 10.305 8.987 356 2HG GLN 46 2HG GLN 46 8.660 9.672 8.894 357 1HE2 GLN 46 1HE2 GLN 46 8.283 8.111 10.277 358 2HE2 GLN 46 2HE2 GLN 46 9.432 6.921 10.826 359 H TYR 47 H TYR 47 8.024 9.498 4.499 360 HA TYR 47 HA TYR 47 10.134 9.861 2.473 361 1HB TYR 47 1HB TYR 47 8.154 7.584 2.673 362 2HB TYR 47 2HB TYR 47 9.337 7.803 1.386 363 HD1 TYR 47 HD1 TYR 47 11.825 7.871 2.091 364 HD2 TYR 47 HD2 TYR 47 8.711 6.379 4.570 365 HE1 TYR 47 HE1 TYR 47 13.485 6.621 3.408 366 HE2 TYR 47 HE2 TYR 47 10.362 5.111 5.891 367 HH TYR 47 HH TYR 47 13.740 5.621 5.577 368 HA PRO 48 HA PRO 48 5.925 12.219 1.798 369 1HB PRO 48 1HB PRO 48 8.176 13.943 0.842 370 2HB PRO 48 2HB PRO 48 6.627 14.419 1.550 371 1HG PRO 48 1HG PRO 48 8.893 14.346 3.003 372 2HG PRO 48 2HG PRO 48 7.311 13.959 3.699 373 1HD PRO 48 1HD PRO 48 9.581 12.183 3.151 374 2HD PRO 48 2HD PRO 48 8.151 11.902 4.166 375 H GLN 49 H GLN 49 8.813 11.825 -0.191 376 HA GLN 49 HA GLN 49 7.688 12.307 -2.688 377 1HB GLN 49 1HB GLN 49 9.898 10.361 -2.003 378 2HB GLN 49 2HB GLN 49 9.529 10.946 -3.622 379 1HG GLN 49 1HG GLN 49 10.064 13.222 -2.920 380 2HG GLN 49 2HG GLN 49 10.428 12.638 -1.297 381 1HE2 GLN 49 1HE2 GLN 49 11.806 13.614 -4.061 382 2HE2 GLN 49 2HE2 GLN 49 13.293 12.738 -3.997 383 H ALA 50 H ALA 50 7.647 9.410 -0.717 384 HA ALA 50 HA ALA 50 6.343 7.871 -2.812 385 1HB ALA 50 1HB ALA 50 6.316 6.092 -0.980 386 2HB ALA 50 2HB ALA 50 7.315 7.207 -0.049 387 3HB ALA 50 3HB ALA 50 7.890 6.591 -1.599 388 H ASP 51 H ASP 51 4.214 7.396 -2.895 389 HA ASP 51 HA ASP 51 2.462 8.831 -1.069 390 1HB ASP 51 1HB ASP 51 1.824 7.232 -3.558 391 2HB ASP 51 2HB ASP 51 0.672 8.198 -2.641 392 H PHE 52 H PHE 52 1.581 7.907 0.637 393 HA PHE 52 HA PHE 52 1.640 4.995 0.842 394 1HB PHE 52 1HB PHE 52 1.284 7.147 2.934 395 2HB PHE 52 2HB PHE 52 1.198 5.412 3.273 396 HD1 PHE 52 HD1 PHE 52 3.475 7.789 1.506 397 HD2 PHE 52 HD2 PHE 52 3.092 4.448 4.114 398 HE1 PHE 52 HE1 PHE 52 5.921 7.709 1.760 399 HE2 PHE 52 HE2 PHE 52 5.536 4.364 4.374 400 HZ PHE 52 HZ PHE 52 6.955 5.997 3.195 401 H TYR 53 H TYR 53 -0.143 4.576 -0.493 402 HA TYR 53 HA TYR 53 -2.765 5.462 0.474 403 1HB TYR 53 1HB TYR 53 -1.812 4.231 -2.103 404 2HB TYR 53 2HB TYR 53 -3.522 4.253 -1.685 405 HD1 TYR 53 HD1 TYR 53 -4.547 6.564 -1.130 406 HD2 TYR 53 HD2 TYR 53 -0.860 6.056 -3.193 407 HE1 TYR 53 HE1 TYR 53 -4.752 8.835 -2.045 408 HE2 TYR 53 HE2 TYR 53 -1.052 8.330 -4.109 409 HH TYR 53 HH TYR 53 -2.295 10.531 -3.331 410 H LYS 54 H LYS 54 -4.436 3.491 -0.174 411 HA LYS 54 HA LYS 54 -3.418 0.973 0.844 412 1HB LYS 54 1HB LYS 54 -5.662 2.444 2.233 413 2HB LYS 54 2HB LYS 54 -5.090 0.828 2.625 414 1HG LYS 54 1HG LYS 54 -2.893 1.756 3.195 415 2HG LYS 54 2HG LYS 54 -3.498 3.373 2.848 416 1HD LYS 54 1HD LYS 54 -4.471 1.502 5.006 417 2HD LYS 54 2HD LYS 54 -3.535 2.978 5.232 418 1HE LYS 54 1HE LYS 54 -6.320 2.806 4.098 419 2HE LYS 54 2HE LYS 54 -5.900 3.335 5.724 420 1HZ LYS 54 1HZ LYS 54 -4.456 4.791 3.749 421 2HZ LYS 54 2HZ LYS 54 -5.461 5.364 4.983 422 3HZ LYS 54 3HZ LYS 54 -6.123 4.915 3.496 423 H LEU 55 H LEU 55 -4.384 -0.728 -0.064 424 HA LEU 55 HA LEU 55 -6.536 -0.204 -1.948 425 1HB LEU 55 1HB LEU 55 -4.417 -1.499 -2.512 426 2HB LEU 55 2HB LEU 55 -5.062 -2.794 -1.525 427 HG LEU 55 HG LEU 55 -5.447 -3.144 -3.936 428 1HD1 LEU 55 1HD1 LEU 55 -7.414 -4.176 -3.579 429 2HD1 LEU 55 2HD1 LEU 55 -8.183 -2.722 -2.938 430 3HD1 LEU 55 3HD1 LEU 55 -7.127 -3.689 -1.909 431 1HD2 LEU 55 1HD2 LEU 55 -6.724 -1.737 -5.258 432 2HD2 LEU 55 2HD2 LEU 55 -5.776 -0.606 -4.293 433 3HD2 LEU 55 3HD2 LEU 55 -7.456 -0.932 -3.870 434 H ASP 56 H ASP 56 -8.577 -0.817 -1.703 435 HA ASP 56 HA ASP 56 -9.381 -2.052 0.773 436 1HB ASP 56 1HB ASP 56 -10.866 -0.806 -1.536 437 2HB ASP 56 2HB ASP 56 -11.679 -1.562 -0.174 438 H VAL 57 H VAL 57 -9.871 -4.124 1.021 439 HA VAL 57 HA VAL 57 -10.038 -5.836 -1.348 440 HB VAL 57 HB VAL 57 -9.718 -6.563 1.582 441 1HG1 VAL 57 1HG1 VAL 57 -8.908 -8.748 0.161 442 2HG1 VAL 57 2HG1 VAL 57 -10.263 -8.182 -0.814 443 3HG1 VAL 57 3HG1 VAL 57 -10.502 -8.560 0.891 444 1HG2 VAL 57 1HG2 VAL 57 -7.706 -6.692 -0.677 445 2HG2 VAL 57 2HG2 VAL 57 -7.422 -7.067 1.024 446 3HG2 VAL 57 3HG2 VAL 57 -7.778 -5.410 0.533 447 H ASP 58 H ASP 58 -12.204 -4.036 -0.139 448 HA ASP 58 HA ASP 58 -14.257 -6.101 0.284 449 1HB ASP 58 1HB ASP 58 -15.563 -4.385 1.434 450 2HB ASP 58 2HB ASP 58 -13.969 -4.539 2.164 451 H GLU 59 H GLU 59 -13.500 -3.122 -1.447 452 HA GLU 59 HA GLU 59 -15.928 -3.427 -3.048 453 1HB GLU 59 1HB GLU 59 -15.480 -1.220 -2.062 454 2HB GLU 59 2HB GLU 59 -13.953 -1.145 -2.929 455 1HG GLU 59 1HG GLU 59 -15.650 0.182 -4.038 456 2HG GLU 59 2HG GLU 59 -15.142 -1.165 -5.053 457 H LEU 60 H LEU 60 -12.609 -4.112 -3.199 458 HA LEU 60 HA LEU 60 -12.645 -4.117 -6.127 459 1HB LEU 60 1HB LEU 60 -10.323 -4.338 -4.228 460 2HB LEU 60 2HB LEU 60 -10.196 -4.414 -5.974 461 HG LEU 60 HG LEU 60 -11.250 -2.068 -5.969 462 1HD1 LEU 60 1HD1 LEU 60 -11.491 -0.899 -4.064 463 2HD1 LEU 60 2HD1 LEU 60 -10.084 -1.639 -3.305 464 3HD1 LEU 60 3HD1 LEU 60 -11.621 -2.496 -3.334 465 1HD2 LEU 60 1HD2 LEU 60 -9.074 -2.054 -6.660 466 2HD2 LEU 60 2HD2 LEU 60 -8.484 -2.833 -5.191 467 3HD2 LEU 60 3HD2 LEU 60 -8.926 -1.125 -5.169 468 H GLY 61 H GLY 61 -11.105 -6.074 -3.674 469 1HA GLY 61 1HA GLY 61 -11.018 -8.354 -3.352 470 2HA GLY 61 2HA GLY 61 -12.452 -8.478 -4.360 471 H ASP 62 H ASP 62 -11.869 -7.910 -6.789 472 HA ASP 62 HA ASP 62 -10.410 -9.999 -7.818 473 1HB ASP 62 1HB ASP 62 -10.944 -7.354 -9.100 474 2HB ASP 62 2HB ASP 62 -10.455 -8.803 -9.956 475 H VAL 63 H VAL 63 -9.316 -6.678 -7.238 476 HA VAL 63 HA VAL 63 -6.791 -6.923 -8.418 477 HB VAL 63 HB VAL 63 -7.402 -5.198 -6.018 478 1HG1 VAL 63 1HG1 VAL 63 -5.040 -5.573 -7.275 479 2HG1 VAL 63 2HG1 VAL 63 -5.504 -4.073 -6.472 480 3HG1 VAL 63 3HG1 VAL 63 -5.700 -4.236 -8.216 481 1HG2 VAL 63 1HG2 VAL 63 -8.781 -5.191 -8.448 482 2HG2 VAL 63 2HG2 VAL 63 -7.640 -3.852 -8.559 483 3HG2 VAL 63 3HG2 VAL 63 -8.782 -3.928 -7.219 484 H ALA 64 H ALA 64 -7.685 -7.295 -4.964 485 HA ALA 64 HA ALA 64 -5.192 -8.007 -3.950 486 1HB ALA 64 1HB ALA 64 -6.301 -8.556 -2.058 487 2HB ALA 64 2HB ALA 64 -7.487 -9.546 -2.908 488 3HB ALA 64 3HB ALA 64 -7.660 -7.791 -2.884 489 H GLN 65 H GLN 65 -7.373 -9.789 -5.978 490 HA GLN 65 HA GLN 65 -5.981 -12.306 -5.565 491 1HB GLN 65 1HB GLN 65 -8.415 -12.341 -5.788 492 2HB GLN 65 2HB GLN 65 -8.297 -11.587 -7.371 493 1HG GLN 65 1HG GLN 65 -8.710 -13.964 -7.570 494 2HG GLN 65 2HG GLN 65 -7.127 -13.547 -8.226 495 1HE2 GLN 65 1HE2 GLN 65 -8.714 -15.771 -6.465 496 2HE2 GLN 65 2HE2 GLN 65 -7.414 -16.396 -5.514 497 H LYS 66 H LYS 66 -6.361 -9.822 -8.063 498 HA LYS 66 HA LYS 66 -5.060 -11.192 -10.134 499 1HB LYS 66 1HB LYS 66 -5.012 -9.171 -11.310 500 2HB LYS 66 2HB LYS 66 -6.416 -9.023 -10.269 501 1HG LYS 66 1HG LYS 66 -5.475 -6.969 -10.003 502 2HG LYS 66 2HG LYS 66 -4.733 -7.839 -8.668 503 1HD LYS 66 1HD LYS 66 -3.072 -6.512 -9.841 504 2HD LYS 66 2HD LYS 66 -2.731 -8.229 -10.039 505 1HE LYS 66 1HE LYS 66 -2.443 -6.992 -12.132 506 2HE LYS 66 2HE LYS 66 -3.729 -8.191 -12.256 507 1HZ LYS 66 1HZ LYS 66 -4.291 -5.362 -11.603 508 2HZ LYS 66 2HZ LYS 66 -5.364 -6.541 -12.168 509 3HZ LYS 66 3HZ LYS 66 -4.188 -5.903 -13.202 510 H ASN 67 H ASN 67 -3.803 -9.099 -7.582 511 HA ASN 67 HA ASN 67 -1.086 -9.394 -8.494 512 1HB ASN 67 1HB ASN 67 -2.331 -8.062 -6.082 513 2HB ASN 67 2HB ASN 67 -0.605 -8.059 -6.433 514 1HD2 ASN 67 1HD2 ASN 67 -3.310 -6.285 -6.645 515 2HD2 ASN 67 2HD2 ASN 67 -2.903 -5.266 -8.000 516 H GLU 68 H GLU 68 -3.176 -11.364 -6.888 517 HA GLU 68 HA GLU 68 -2.946 -13.259 -5.668 518 1HB GLU 68 1HB GLU 68 0.005 -12.875 -6.204 519 2HB GLU 68 2HB GLU 68 -0.733 -14.338 -5.568 520 1HG GLU 68 1HG GLU 68 -2.004 -14.598 -7.634 521 2HG GLU 68 2HG GLU 68 -1.267 -13.129 -8.273 522 H VAL 69 H VAL 69 -3.132 -10.780 -4.303 523 HA VAL 69 HA VAL 69 -1.460 -11.311 -1.932 524 HB VAL 69 HB VAL 69 -2.764 -8.692 -2.688 525 1HG1 VAL 69 1HG1 VAL 69 -0.834 -9.453 -0.495 526 2HG1 VAL 69 2HG1 VAL 69 -2.496 -8.887 -0.311 527 3HG1 VAL 69 3HG1 VAL 69 -1.256 -7.794 -0.923 528 1HG2 VAL 69 1HG2 VAL 69 -0.233 -8.077 -2.934 529 2HG2 VAL 69 2HG2 VAL 69 -1.097 -8.841 -4.268 530 3HG2 VAL 69 3HG2 VAL 69 -0.048 -9.805 -3.229 531 H SER 70 H SER 70 -3.247 -12.959 -1.581 532 HA SER 70 HA SER 70 -5.788 -11.899 -0.715 533 1HB SER 70 1HB SER 70 -6.360 -14.229 -0.203 534 2HB SER 70 2HB SER 70 -5.678 -14.089 -1.832 535 HG SER 70 HG SER 70 -4.243 -14.873 0.491 536 H ALA 71 H ALA 71 -2.744 -12.270 0.690 537 HA ALA 71 HA ALA 71 -3.271 -13.070 3.297 538 1HB ALA 71 1HB ALA 71 -1.149 -11.616 1.917 539 2HB ALA 71 2HB ALA 71 -1.048 -12.855 3.168 540 3HB ALA 71 3HB ALA 71 -1.321 -11.171 3.616 541 H MET 72 H MET 72 -2.659 -11.133 5.095 542 HA MET 72 HA MET 72 -4.059 -8.713 4.719 543 1HB MET 72 1HB MET 72 -6.029 -9.060 6.018 544 2HB MET 72 2HB MET 72 -5.975 -10.273 4.750 545 1HG MET 72 1HG MET 72 -5.246 -10.697 7.632 546 2HG MET 72 2HG MET 72 -6.737 -11.204 6.856 547 1HE MET 72 1HE MET 72 -5.133 -13.120 3.931 548 2HE MET 72 2HE MET 72 -6.510 -12.195 4.528 549 3HE MET 72 3HE MET 72 -6.371 -13.912 4.905 550 HA PRO 73 HA PRO 73 -3.407 -7.119 4.961 551 1HB PRO 73 1HB PRO 73 -1.880 -5.065 5.695 552 2HB PRO 73 2HB PRO 73 -3.446 -5.375 6.470 553 1HG PRO 73 1HG PRO 73 -0.712 -5.806 7.502 554 2HG PRO 73 2HG PRO 73 -2.213 -5.487 8.380 555 1HD PRO 73 1HD PRO 73 -0.941 -8.010 7.939 556 2HD PRO 73 2HD PRO 73 -2.474 -7.690 8.774 557 H THR 74 H THR 74 -1.903 -6.049 3.359 558 HA THR 74 HA THR 74 0.762 -7.275 3.309 559 HB THR 74 HB THR 74 -1.110 -7.213 0.938 560 HG1 THR 74 HG1 THR 74 -1.765 -9.082 1.578 561 1HG2 THR 74 1HG2 THR 74 1.724 -7.662 1.138 562 2HG2 THR 74 2HG2 THR 74 0.705 -7.522 -0.290 563 3HG2 THR 74 3HG2 THR 74 0.896 -9.082 0.509 564 H LEU 75 H LEU 75 2.313 -6.159 1.998 565 HA LEU 75 HA LEU 75 1.552 -3.368 1.437 566 1HB LEU 75 1HB LEU 75 4.247 -4.469 2.231 567 2HB LEU 75 2HB LEU 75 3.906 -2.790 1.862 568 HG LEU 75 HG LEU 75 2.789 -4.356 4.187 569 1HD1 LEU 75 1HD1 LEU 75 4.127 -2.288 5.252 570 2HD1 LEU 75 2HD1 LEU 75 5.104 -2.577 3.813 571 3HD1 LEU 75 3HD1 LEU 75 4.841 -3.876 4.975 572 1HD2 LEU 75 1HD2 LEU 75 2.154 -1.881 4.811 573 2HD2 LEU 75 2HD2 LEU 75 1.093 -2.865 3.801 574 3HD2 LEU 75 3HD2 LEU 75 2.162 -1.674 3.059 575 H LEU 76 H LEU 76 1.685 -2.715 -0.606 576 HA LEU 76 HA LEU 76 3.418 -4.228 -2.448 577 1HB LEU 76 1HB LEU 76 0.692 -3.044 -2.981 578 2HB LEU 76 2HB LEU 76 1.753 -3.672 -4.239 579 HG LEU 76 HG LEU 76 0.368 -5.201 -2.045 580 1HD1 LEU 76 1HD1 LEU 76 0.234 -6.271 -4.716 581 2HD1 LEU 76 2HD1 LEU 76 -0.327 -4.600 -4.672 582 3HD1 LEU 76 3HD1 LEU 76 -1.067 -5.807 -3.620 583 1HD2 LEU 76 1HD2 LEU 76 2.700 -6.001 -3.750 584 2HD2 LEU 76 2HD2 LEU 76 1.550 -7.197 -3.153 585 3HD2 LEU 76 3HD2 LEU 76 2.468 -6.213 -2.015 586 H LEU 77 H LEU 77 4.877 -3.086 -3.544 587 HA LEU 77 HA LEU 77 4.668 -0.150 -3.476 588 1HB LEU 77 1HB LEU 77 7.120 -1.894 -3.737 589 2HB LEU 77 2HB LEU 77 7.122 -0.143 -3.763 590 HG LEU 77 HG LEU 77 6.247 -0.132 -1.443 591 1HD1 LEU 77 1HD1 LEU 77 6.366 -3.081 -1.866 592 2HD1 LEU 77 2HD1 LEU 77 5.135 -2.106 -1.063 593 3HD1 LEU 77 3HD1 LEU 77 6.672 -2.423 -0.259 594 1HD2 LEU 77 1HD2 LEU 77 8.856 -1.417 -2.132 595 2HD2 LEU 77 2HD2 LEU 77 8.396 -1.181 -0.446 596 3HD2 LEU 77 3HD2 LEU 77 8.532 0.207 -1.526 597 H PHE 78 H PHE 78 5.067 1.048 -5.351 598 HA PHE 78 HA PHE 78 5.474 -0.410 -7.863 599 1HB PHE 78 1HB PHE 78 3.130 1.445 -7.359 600 2HB PHE 78 2HB PHE 78 3.488 0.624 -8.870 601 HD1 PHE 78 HD1 PHE 78 3.510 -1.958 -8.813 602 HD2 PHE 78 HD2 PHE 78 1.760 0.463 -5.783 603 HE1 PHE 78 HE1 PHE 78 2.164 -3.878 -8.061 604 HE2 PHE 78 HE2 PHE 78 0.412 -1.452 -5.028 605 HZ PHE 78 HZ PHE 78 0.609 -3.622 -6.166 606 H LYS 79 H LYS 79 6.832 0.714 -9.218 607 HA LYS 79 HA LYS 79 7.181 3.599 -8.646 608 1HB LYS 79 1HB LYS 79 9.094 1.530 -9.684 609 2HB LYS 79 2HB LYS 79 9.372 3.238 -9.978 610 1HG LYS 79 1HG LYS 79 9.049 2.005 -7.253 611 2HG LYS 79 2HG LYS 79 10.593 2.369 -8.023 612 1HD LYS 79 1HD LYS 79 8.443 4.357 -7.294 613 2HD LYS 79 2HD LYS 79 9.986 4.130 -6.469 614 1HE LYS 79 1HE LYS 79 11.161 4.769 -8.535 615 2HE LYS 79 2HE LYS 79 9.605 5.052 -9.315 616 1HZ LYS 79 1HZ LYS 79 9.407 6.542 -7.083 617 2HZ LYS 79 2HZ LYS 79 9.889 7.133 -8.593 618 3HZ LYS 79 3HZ LYS 79 11.054 6.701 -7.443 619 H ASN 80 H ASN 80 6.791 5.092 -10.193 620 HA ASN 80 HA ASN 80 5.839 5.926 -12.098 621 1HB ASN 80 1HB ASN 80 7.912 4.081 -13.298 622 2HB ASN 80 2HB ASN 80 7.131 5.417 -14.141 623 1HD2 ASN 80 1HD2 ASN 80 8.342 7.146 -14.269 624 2HD2 ASN 80 2HD2 ASN 80 9.495 7.680 -13.100 625 H GLY 81 H GLY 81 3.960 4.376 -11.335 626 1HA GLY 81 1HA GLY 81 2.179 3.085 -11.959 627 2HA GLY 81 2HA GLY 81 2.609 3.515 -13.608 628 H LYS 82 H LYS 82 4.999 1.855 -11.790 629 HA LYS 82 HA LYS 82 4.277 -0.673 -13.118 630 1HB LYS 82 1HB LYS 82 7.057 0.435 -12.670 631 2HB LYS 82 2HB LYS 82 6.689 -1.136 -13.360 632 1HG LYS 82 1HG LYS 82 5.580 -0.061 -15.246 633 2HG LYS 82 2HG LYS 82 5.948 1.520 -14.557 634 1HD LYS 82 1HD LYS 82 8.341 1.038 -14.723 635 2HD LYS 82 2HD LYS 82 7.974 -0.546 -15.407 636 1HE LYS 82 1HE LYS 82 6.874 0.534 -17.309 637 2HE LYS 82 2HE LYS 82 7.242 2.116 -16.624 638 1HZ LYS 82 1HZ LYS 82 9.386 1.989 -17.255 639 2HZ LYS 82 2HZ LYS 82 8.786 0.903 -18.406 640 3HZ LYS 82 3HZ LYS 82 9.501 0.323 -16.988 641 H GLU 83 H GLU 83 6.405 -2.131 -11.894 642 HA GLU 83 HA GLU 83 5.390 -2.231 -9.135 643 1HB GLU 83 1HB GLU 83 4.935 -4.210 -10.549 644 2HB GLU 83 2HB GLU 83 6.656 -4.395 -10.839 645 1HG GLU 83 1HG GLU 83 7.054 -4.999 -8.579 646 2HG GLU 83 2HG GLU 83 5.411 -4.556 -8.107 647 H VAL 84 H VAL 84 7.156 -3.380 -7.664 648 HA VAL 84 HA VAL 84 9.887 -2.833 -8.263 649 HB VAL 84 HB VAL 84 10.181 -1.269 -6.265 650 1HG1 VAL 84 1HG1 VAL 84 10.032 -0.813 -8.913 651 2HG1 VAL 84 2HG1 VAL 84 10.404 0.428 -7.720 652 3HG1 VAL 84 3HG1 VAL 84 8.758 0.260 -8.333 653 1HG2 VAL 84 1HG2 VAL 84 7.305 -1.488 -6.336 654 2HG2 VAL 84 2HG2 VAL 84 7.824 0.191 -6.480 655 3HG2 VAL 84 3HG2 VAL 84 8.351 -0.782 -5.106 656 H ALA 85 H ALA 85 7.527 -3.312 -5.638 657 HA ALA 85 HA ALA 85 8.880 -5.686 -4.791 658 1HB ALA 85 1HB ALA 85 9.299 -4.764 -2.439 659 2HB ALA 85 2HB ALA 85 9.215 -3.172 -3.193 660 3HB ALA 85 3HB ALA 85 10.440 -4.331 -3.712 661 H LYS 86 H LYS 86 7.826 -6.768 -3.026 662 HA LYS 86 HA LYS 86 5.293 -5.724 -2.090 663 1HB LYS 86 1HB LYS 86 4.012 -7.689 -2.869 664 2HB LYS 86 2HB LYS 86 4.619 -6.715 -4.200 665 1HG LYS 86 1HG LYS 86 6.452 -8.313 -4.520 666 2HG LYS 86 2HG LYS 86 5.805 -9.299 -3.207 667 1HD LYS 86 1HD LYS 86 3.725 -9.602 -4.462 668 2HD LYS 86 2HD LYS 86 4.376 -8.619 -5.776 669 1HE LYS 86 1HE LYS 86 6.175 -10.246 -6.098 670 2HE LYS 86 2HE LYS 86 5.529 -11.225 -4.782 671 1HZ LYS 86 1HZ LYS 86 4.927 -11.675 -7.301 672 2HZ LYS 86 2HZ LYS 86 3.706 -10.556 -6.959 673 3HZ LYS 86 3HZ LYS 86 3.828 -11.975 -6.049 674 H VAL 87 H VAL 87 5.376 -6.097 0.017 675 HA VAL 87 HA VAL 87 6.268 -8.737 0.948 676 HB VAL 87 HB VAL 87 7.089 -6.122 2.224 677 1HG1 VAL 87 1HG1 VAL 87 8.675 -8.011 3.327 678 2HG1 VAL 87 2HG1 VAL 87 7.187 -8.930 3.100 679 3HG1 VAL 87 3HG1 VAL 87 7.169 -7.442 4.047 680 1HG2 VAL 87 1HG2 VAL 87 8.557 -6.172 0.494 681 2HG2 VAL 87 2HG2 VAL 87 8.411 -7.917 0.275 682 3HG2 VAL 87 3HG2 VAL 87 9.409 -7.271 1.578 683 H VAL 88 H VAL 88 4.440 -9.569 1.749 684 HA VAL 88 HA VAL 88 2.349 -8.041 2.884 685 HB VAL 88 HB VAL 88 1.812 -10.166 1.909 686 1HG1 VAL 88 1HG1 VAL 88 2.708 -12.140 3.631 687 2HG1 VAL 88 2HG1 VAL 88 4.097 -11.065 3.467 688 3HG1 VAL 88 3HG1 VAL 88 3.357 -11.773 2.032 689 1HG2 VAL 88 1HG2 VAL 88 0.660 -11.304 3.835 690 2HG2 VAL 88 2HG2 VAL 88 0.315 -9.584 3.661 691 3HG2 VAL 88 3HG2 VAL 88 1.438 -10.137 4.901 692 H GLY 89 H GLY 89 2.931 -6.794 4.587 693 1HA GLY 89 1HA GLY 89 2.754 -7.392 7.136 694 2HA GLY 89 2HA GLY 89 4.369 -8.014 6.828 695 H ALA 90 H ALA 90 2.507 -5.271 7.572 696 HA ALA 90 HA ALA 90 4.662 -3.418 6.877 697 1HB ALA 90 1HB ALA 90 2.106 -2.543 8.144 698 2HB ALA 90 2HB ALA 90 2.117 -3.032 6.449 699 3HB ALA 90 3HB ALA 90 3.134 -1.696 6.988 700 H ASN 91 H ASN 91 5.132 -5.288 8.965 701 HA ASN 91 HA ASN 91 4.820 -4.001 11.482 702 1HB ASN 91 1HB ASN 91 6.302 -5.847 12.230 703 2HB ASN 91 2HB ASN 91 4.891 -6.412 11.363 704 1HD2 ASN 91 1HD2 ASN 91 8.068 -6.909 11.756 705 2HD2 ASN 91 2HD2 ASN 91 8.472 -7.570 10.212 706 HA PRO 92 HA PRO 92 8.137 -1.043 11.284 707 1HB PRO 92 1HB PRO 92 8.580 -2.075 14.064 708 2HB PRO 92 2HB PRO 92 8.556 -0.405 13.478 709 1HG PRO 92 1HG PRO 92 6.438 -1.383 14.723 710 2HG PRO 92 2HG PRO 92 6.236 -0.373 13.278 711 1HD PRO 92 1HD PRO 92 5.934 -3.323 13.582 712 2HD PRO 92 2HD PRO 92 5.056 -2.200 12.525 713 H ALA 93 H ALA 93 9.368 -2.343 9.769 714 HA ALA 93 HA ALA 93 11.945 -2.970 10.630 715 1HB ALA 93 1HB ALA 93 10.293 -4.975 11.423 716 2HB ALA 93 2HB ALA 93 12.017 -5.161 11.103 717 3HB ALA 93 3HB ALA 93 10.839 -5.575 9.857 718 H ALA 94 H ALA 94 9.404 -3.632 8.260 719 HA ALA 94 HA ALA 94 11.456 -3.430 6.159 720 1HB ALA 94 1HB ALA 94 10.689 -5.241 5.060 721 2HB ALA 94 2HB ALA 94 9.007 -4.903 5.466 722 3HB ALA 94 3HB ALA 94 10.058 -5.688 6.645 723 H ILE 95 H ILE 95 8.060 -2.817 6.980 724 HA ILE 95 HA ILE 95 7.246 -1.537 4.682 725 HB ILE 95 HB ILE 95 5.692 -1.994 6.460 726 1HG1 ILE 95 1HG1 ILE 95 4.460 0.105 6.555 727 2HG1 ILE 95 2HG1 ILE 95 5.904 1.002 6.097 728 1HG2 ILE 95 1HG2 ILE 95 6.607 -1.770 8.508 729 2HG2 ILE 95 2HG2 ILE 95 5.863 -0.173 8.421 730 3HG2 ILE 95 3HG2 ILE 95 7.573 -0.369 8.042 731 1HD1 ILE 95 1HD1 ILE 95 5.017 0.891 4.048 732 2HD1 ILE 95 2HD1 ILE 95 4.001 -0.492 4.451 733 3HD1 ILE 95 3HD1 ILE 95 5.695 -0.734 4.033 734 H LYS 96 H LYS 96 9.659 -0.518 6.895 735 HA LYS 96 HA LYS 96 9.483 2.278 6.059 736 1HB LYS 96 1HB LYS 96 11.296 2.664 7.682 737 2HB LYS 96 2HB LYS 96 9.913 1.870 8.420 738 1HG LYS 96 1HG LYS 96 11.092 -0.285 8.253 739 2HG LYS 96 2HG LYS 96 12.491 0.559 7.586 740 1HD LYS 96 1HD LYS 96 11.275 1.036 10.305 741 2HD LYS 96 2HD LYS 96 12.756 0.132 9.981 742 1HE LYS 96 1HE LYS 96 13.771 2.151 9.033 743 2HE LYS 96 2HE LYS 96 12.292 3.050 9.367 744 1HZ LYS 96 1HZ LYS 96 12.650 2.941 11.646 745 2HZ LYS 96 2HZ LYS 96 14.200 3.220 11.031 746 3HZ LYS 96 3HZ LYS 96 13.755 1.665 11.527 747 H GLN 97 H GLN 97 11.837 -0.380 6.011 748 HA GLN 97 HA GLN 97 13.733 0.996 4.421 749 1HB GLN 97 1HB GLN 97 13.346 -1.976 4.822 750 2HB GLN 97 2HB GLN 97 14.771 -1.222 4.120 751 1HG GLN 97 1HG GLN 97 15.202 -0.072 6.231 752 2HG GLN 97 2HG GLN 97 13.774 -0.825 6.933 753 1HE2 GLN 97 1HE2 GLN 97 15.066 -3.089 4.919 754 2HE2 GLN 97 2HE2 GLN 97 16.068 -3.931 6.043 755 H ALA 98 H ALA 98 10.952 -0.991 3.714 756 HA ALA 98 HA ALA 98 11.461 -1.621 1.038 757 1HB ALA 98 1HB ALA 98 9.292 -2.328 0.931 758 2HB ALA 98 2HB ALA 98 8.679 -0.942 1.834 759 3HB ALA 98 3HB ALA 98 9.487 -2.259 2.682 760 H ILE 99 H ILE 99 10.399 1.334 2.532 761 HA ILE 99 HA ILE 99 9.770 2.595 -0.003 762 HB ILE 99 HB ILE 99 9.619 3.534 2.864 763 1HG1 ILE 99 1HG1 ILE 99 7.206 3.606 2.384 764 2HG1 ILE 99 2HG1 ILE 99 7.518 3.049 0.747 765 1HG2 ILE 99 1HG2 ILE 99 10.256 5.456 1.543 766 2HG2 ILE 99 2HG2 ILE 99 8.553 5.589 1.979 767 3HG2 ILE 99 3HG2 ILE 99 9.010 5.094 0.350 768 1HD1 ILE 99 1HD1 ILE 99 7.783 0.912 1.382 769 2HD1 ILE 99 2HD1 ILE 99 6.803 1.438 2.751 770 3HD1 ILE 99 3HD1 ILE 99 8.556 1.348 2.906 771 H ALA 100 H ALA 100 12.529 2.086 1.853 772 HA ALA 100 HA ALA 100 13.808 4.600 1.147 773 1HB ALA 100 1HB ALA 100 14.071 3.053 3.331 774 2HB ALA 100 2HB ALA 100 15.318 4.163 2.765 775 3HB ALA 100 3HB ALA 100 15.415 2.448 2.363 776 H ALA 101 H ALA 101 14.773 1.183 0.839 777 HA ALA 101 HA ALA 101 16.741 1.534 -1.073 778 1HB ALA 101 1HB ALA 101 16.119 -0.556 0.281 779 2HB ALA 101 2HB ALA 101 16.738 -0.780 -1.355 780 3HB ALA 101 3HB ALA 101 15.008 -0.913 -1.042 781 H ASN 102 H ASN 102 13.277 1.500 -1.470 782 HA ASN 102 HA ASN 102 13.470 1.210 -4.347 783 1HB ASN 102 1HB ASN 102 11.215 1.388 -2.373 784 2HB ASN 102 2HB ASN 102 10.922 1.595 -4.100 785 1HD2 ASN 102 1HD2 ASN 102 10.868 -0.584 -1.688 786 2HD2 ASN 102 2HD2 ASN 102 11.108 -2.040 -2.585 787 H ALA 103 H ALA 103 12.006 3.628 -2.151 788 HA ALA 103 HA ALA 103 11.617 5.591 -4.105 789 1HB ALA 103 1HB ALA 103 10.656 5.492 -1.751 790 2HB ALA 103 2HB ALA 103 11.135 7.080 -2.351 791 3HB ALA 103 3HB ALA 103 12.173 6.214 -1.219 Start of MODEL 4 1 1H MET 1 1H MET 1 -0.385 12.021 2.512 2 2H MET 1 2H MET 1 0.167 11.533 4.063 3 3H MET 1 3H MET 1 -0.432 13.124 3.823 4 HA MET 1 HA MET 1 -1.973 11.634 4.958 5 1HB MET 1 1HB MET 1 -3.884 12.332 3.566 6 2HB MET 1 2HB MET 1 -2.712 13.627 3.760 7 1HG MET 1 1HG MET 1 -1.812 13.142 1.539 8 2HG MET 1 2HG MET 1 -2.999 11.853 1.345 9 1HE MET 1 1HE MET 1 -2.453 15.393 2.326 10 2HE MET 1 2HE MET 1 -4.107 15.634 2.894 11 3HE MET 1 3HE MET 1 -3.586 16.343 1.364 12 H VAL 2 H VAL 2 -3.258 9.810 4.920 13 HA VAL 2 HA VAL 2 -2.568 7.844 2.848 14 HB VAL 2 HB VAL 2 -3.753 7.363 5.587 15 1HG1 VAL 2 1HG1 VAL 2 -2.653 5.013 4.824 16 2HG1 VAL 2 2HG1 VAL 2 -3.210 5.635 3.270 17 3HG1 VAL 2 3HG1 VAL 2 -4.351 5.431 4.598 18 1HG2 VAL 2 1HG2 VAL 2 -0.921 7.119 4.581 19 2HG2 VAL 2 2HG2 VAL 2 -1.491 6.442 6.107 20 3HG2 VAL 2 3HG2 VAL 2 -1.521 8.188 5.850 21 H THR 3 H THR 3 -4.147 6.703 1.750 22 HA THR 3 HA THR 3 -6.948 7.205 2.341 23 HB THR 3 HB THR 3 -5.720 7.964 -0.316 24 HG1 THR 3 HG1 THR 3 -5.408 9.561 1.227 25 1HG2 THR 3 1HG2 THR 3 -7.831 8.562 -1.107 26 2HG2 THR 3 2HG2 THR 3 -8.569 8.408 0.489 27 3HG2 THR 3 3HG2 THR 3 -8.055 6.966 -0.388 28 H GLN 4 H GLN 4 -8.352 5.691 1.470 29 HA GLN 4 HA GLN 4 -7.104 3.189 0.637 30 1HB GLN 4 1HB GLN 4 -10.045 3.695 1.052 31 2HB GLN 4 2HB GLN 4 -9.186 2.165 1.144 32 1HG GLN 4 1HG GLN 4 -8.075 2.893 3.181 33 2HG GLN 4 2HG GLN 4 -8.900 4.446 3.088 34 1HE2 GLN 4 1HE2 GLN 4 -8.924 1.598 4.623 35 2HE2 GLN 4 2HE2 GLN 4 -10.599 1.476 5.033 36 H PHE 5 H PHE 5 -8.510 1.911 -1.042 37 HA PHE 5 HA PHE 5 -9.259 3.738 -3.221 38 1HB PHE 5 1HB PHE 5 -7.710 1.156 -3.408 39 2HB PHE 5 2HB PHE 5 -8.457 1.942 -4.806 40 HD1 PHE 5 HD1 PHE 5 -7.879 4.805 -3.948 41 HD2 PHE 5 HD2 PHE 5 -5.456 1.303 -4.079 42 HE1 PHE 5 HE1 PHE 5 -5.879 6.205 -4.278 43 HE2 PHE 5 HE2 PHE 5 -3.459 2.700 -4.405 44 HZ PHE 5 HZ PHE 5 -3.666 5.147 -4.509 45 H LYS 6 H LYS 6 -11.247 3.531 -3.923 46 HA LYS 6 HA LYS 6 -12.723 1.066 -3.286 47 1HB LYS 6 1HB LYS 6 -13.766 3.859 -3.795 48 2HB LYS 6 2HB LYS 6 -14.764 2.452 -3.458 49 1HG LYS 6 1HG LYS 6 -12.741 3.671 -1.592 50 2HG LYS 6 2HG LYS 6 -14.494 3.825 -1.477 51 1HD LYS 6 1HD LYS 6 -14.691 1.409 -1.162 52 2HD LYS 6 2HD LYS 6 -12.940 1.245 -1.298 53 1HE LYS 6 1HE LYS 6 -14.417 2.796 0.825 54 2HE LYS 6 2HE LYS 6 -13.661 1.217 1.038 55 1HZ LYS 6 1HZ LYS 6 -11.616 2.640 0.088 56 2HZ LYS 6 2HZ LYS 6 -11.941 2.458 1.737 57 3HZ LYS 6 3HZ LYS 6 -12.451 3.850 0.926 58 H THR 7 H THR 7 -11.669 3.176 -5.814 59 HA THR 7 HA THR 7 -12.938 1.402 -7.786 60 HB THR 7 HB THR 7 -13.251 3.349 -9.276 61 HG1 THR 7 HG1 THR 7 -12.261 4.759 -7.036 62 1HG2 THR 7 1HG2 THR 7 -14.573 4.136 -6.724 63 2HG2 THR 7 2HG2 THR 7 -15.006 2.622 -7.516 64 3HG2 THR 7 3HG2 THR 7 -15.203 4.152 -8.370 65 H ALA 8 H ALA 8 -11.484 0.454 -9.061 66 HA ALA 8 HA ALA 8 -8.760 0.768 -8.867 67 1HB ALA 8 1HB ALA 8 -9.270 -1.179 -9.933 68 2HB ALA 8 2HB ALA 8 -8.861 -0.197 -11.340 69 3HB ALA 8 3HB ALA 8 -10.550 -0.443 -10.898 70 H SER 9 H SER 9 -11.002 2.671 -10.682 71 HA SER 9 HA SER 9 -9.313 3.845 -12.572 72 1HB SER 9 1HB SER 9 -11.805 4.130 -12.446 73 2HB SER 9 2HB SER 9 -11.559 5.203 -11.065 74 HG SER 9 HG SER 9 -10.561 6.664 -12.371 75 H GLU 10 H GLU 10 -9.453 4.173 -9.156 76 HA GLU 10 HA GLU 10 -8.063 6.696 -9.128 77 1HB GLU 10 1HB GLU 10 -9.873 6.225 -7.517 78 2HB GLU 10 2HB GLU 10 -8.898 4.926 -6.843 79 1HG GLU 10 1HG GLU 10 -8.794 6.939 -5.492 80 2HG GLU 10 2HG GLU 10 -7.216 6.510 -6.148 81 H PHE 11 H PHE 11 -7.489 3.380 -8.155 82 HA PHE 11 HA PHE 11 -4.797 3.866 -7.334 83 1HB PHE 11 1HB PHE 11 -6.335 2.027 -6.467 84 2HB PHE 11 2HB PHE 11 -6.010 1.180 -7.973 85 HD1 PHE 11 HD1 PHE 11 -5.373 -0.452 -5.938 86 HD2 PHE 11 HD2 PHE 11 -3.086 2.904 -7.225 87 HE1 PHE 11 HE1 PHE 11 -3.358 -1.431 -4.922 88 HE2 PHE 11 HE2 PHE 11 -1.076 1.922 -6.218 89 HZ PHE 11 HZ PHE 11 -1.212 -0.243 -5.062 90 H ASP 12 H ASP 12 -6.374 3.095 -10.306 91 HA ASP 12 HA ASP 12 -4.249 1.862 -11.680 92 1HB ASP 12 1HB ASP 12 -6.575 1.826 -12.487 93 2HB ASP 12 2HB ASP 12 -6.499 3.559 -12.784 94 H SER 13 H SER 13 -5.124 5.243 -11.209 95 HA SER 13 HA SER 13 -2.960 6.154 -12.917 96 1HB SER 13 1HB SER 13 -4.936 7.712 -11.232 97 2HB SER 13 2HB SER 13 -3.783 8.419 -12.363 98 HG SER 13 HG SER 13 -5.530 8.215 -13.594 99 H ALA 14 H ALA 14 -3.599 5.651 -9.544 100 HA ALA 14 HA ALA 14 -1.818 7.365 -8.316 101 1HB ALA 14 1HB ALA 14 -2.184 6.165 -6.436 102 2HB ALA 14 2HB ALA 14 -1.912 4.617 -7.238 103 3HB ALA 14 3HB ALA 14 -3.457 5.447 -7.423 104 H ILE 15 H ILE 15 -1.171 4.415 -10.079 105 HA ILE 15 HA ILE 15 1.635 4.411 -9.299 106 HB ILE 15 HB ILE 15 1.832 2.379 -10.640 107 1HG1 ILE 15 1HG1 ILE 15 -1.102 2.837 -11.239 108 2HG1 ILE 15 2HG1 ILE 15 0.221 2.857 -12.402 109 1HG2 ILE 15 1HG2 ILE 15 0.658 2.642 -8.228 110 2HG2 ILE 15 2HG2 ILE 15 1.004 1.091 -8.990 111 3HG2 ILE 15 3HG2 ILE 15 -0.611 1.789 -9.107 112 1HD1 ILE 15 1HD1 ILE 15 -1.383 0.705 -11.750 113 2HD1 ILE 15 2HD1 ILE 15 0.143 0.375 -10.930 114 3HD1 ILE 15 3HD1 ILE 15 0.120 0.662 -12.671 115 H ALA 16 H ALA 16 -0.275 4.758 -12.272 116 HA ALA 16 HA ALA 16 1.644 5.008 -14.159 117 1HB ALA 16 1HB ALA 16 -1.067 5.729 -13.941 118 2HB ALA 16 2HB ALA 16 -0.107 5.540 -15.407 119 3HB ALA 16 3HB ALA 16 -0.225 7.117 -14.628 120 H GLN 17 H GLN 17 3.565 5.922 -13.651 121 HA GLN 17 HA GLN 17 5.121 7.502 -13.123 122 1HB GLN 17 1HB GLN 17 3.166 9.133 -14.747 123 2HB GLN 17 2HB GLN 17 4.817 9.620 -14.382 124 1HG GLN 17 1HG GLN 17 4.186 7.044 -15.773 125 2HG GLN 17 2HG GLN 17 4.384 8.564 -16.652 126 1HE2 GLN 17 1HE2 GLN 17 5.922 5.843 -15.847 127 2HE2 GLN 17 2HE2 GLN 17 7.557 6.399 -15.810 128 H ASP 18 H ASP 18 4.810 7.585 -10.854 129 HA ASP 18 HA ASP 18 4.137 10.161 -9.880 130 1HB ASP 18 1HB ASP 18 1.860 9.244 -10.128 131 2HB ASP 18 2HB ASP 18 2.296 7.898 -9.080 132 H LYS 19 H LYS 19 6.441 8.579 -9.744 133 HA LYS 19 HA LYS 19 8.056 7.956 -8.262 134 1HB LYS 19 1HB LYS 19 6.150 9.249 -6.323 135 2HB LYS 19 2HB LYS 19 7.791 8.778 -5.920 136 1HG LYS 19 1HG LYS 19 7.824 11.098 -6.335 137 2HG LYS 19 2HG LYS 19 8.577 10.317 -7.727 138 1HD LYS 19 1HD LYS 19 6.570 10.582 -9.029 139 2HD LYS 19 2HD LYS 19 5.693 11.199 -7.626 140 1HE LYS 19 1HE LYS 19 6.366 13.010 -9.116 141 2HE LYS 19 2HE LYS 19 7.173 13.139 -7.555 142 1HZ LYS 19 1HZ LYS 19 9.114 13.116 -8.589 143 2HZ LYS 19 2HZ LYS 19 8.337 13.017 -10.088 144 3HZ LYS 19 3HZ LYS 19 8.778 11.604 -9.269 145 H LEU 20 H LEU 20 7.706 7.051 -5.565 146 HA LEU 20 HA LEU 20 6.605 4.411 -6.146 147 1HB LEU 20 1HB LEU 20 8.901 4.501 -5.321 148 2HB LEU 20 2HB LEU 20 8.365 5.388 -3.895 149 HG LEU 20 HG LEU 20 7.033 3.413 -3.207 150 1HD1 LEU 20 1HD1 LEU 20 8.389 1.457 -4.806 151 2HD1 LEU 20 2HD1 LEU 20 7.505 2.579 -5.840 152 3HD1 LEU 20 3HD1 LEU 20 6.660 1.704 -4.564 153 1HD2 LEU 20 1HD2 LEU 20 9.112 1.938 -2.779 154 2HD2 LEU 20 2HD2 LEU 20 9.068 3.566 -2.101 155 3HD2 LEU 20 3HD2 LEU 20 10.001 3.244 -3.563 156 H VAL 21 H VAL 21 4.607 4.017 -5.530 157 HA VAL 21 HA VAL 21 3.479 5.480 -3.253 158 HB VAL 21 HB VAL 21 2.047 3.875 -5.376 159 1HG1 VAL 21 1HG1 VAL 21 0.015 4.749 -4.500 160 2HG1 VAL 21 2HG1 VAL 21 0.879 5.815 -3.394 161 3HG1 VAL 21 3HG1 VAL 21 0.915 4.070 -3.145 162 1HG2 VAL 21 1HG2 VAL 21 2.065 5.661 -6.700 163 2HG2 VAL 21 2HG2 VAL 21 3.241 6.388 -5.605 164 3HG2 VAL 21 3HG2 VAL 21 1.521 6.709 -5.391 165 H VAL 22 H VAL 22 2.853 4.478 -1.435 166 HA VAL 22 HA VAL 22 3.324 1.588 -1.245 167 HB VAL 22 HB VAL 22 2.937 3.584 0.990 168 1HG1 VAL 22 1HG1 VAL 22 2.434 1.527 1.921 169 2HG1 VAL 22 2HG1 VAL 22 4.164 1.660 2.231 170 3HG1 VAL 22 3HG1 VAL 22 3.581 0.667 0.896 171 1HG2 VAL 22 1HG2 VAL 22 4.945 4.101 -0.284 172 2HG2 VAL 22 2HG2 VAL 22 5.485 2.430 -0.136 173 3HG2 VAL 22 3HG2 VAL 22 5.363 3.448 1.299 174 H VAL 23 H VAL 23 1.492 0.531 -1.797 175 HA VAL 23 HA VAL 23 -1.020 1.429 -0.547 176 HB VAL 23 HB VAL 23 -0.752 -0.286 -3.017 177 1HG1 VAL 23 1HG1 VAL 23 -2.906 0.100 -1.318 178 2HG1 VAL 23 2HG1 VAL 23 -2.963 -0.518 -2.968 179 3HG1 VAL 23 3HG1 VAL 23 -3.213 1.200 -2.661 180 1HG2 VAL 23 1HG2 VAL 23 -0.434 1.537 -4.248 181 2HG2 VAL 23 2HG2 VAL 23 -0.241 2.465 -2.762 182 3HG2 VAL 23 3HG2 VAL 23 -1.828 2.327 -3.513 183 H ASP 24 H ASP 24 -1.924 0.156 0.915 184 HA ASP 24 HA ASP 24 -0.880 -2.558 1.265 185 1HB ASP 24 1HB ASP 24 -0.770 -1.098 3.225 186 2HB ASP 24 2HB ASP 24 -2.515 -0.816 3.129 187 H PHE 25 H PHE 25 -2.135 -4.346 1.033 188 HA PHE 25 HA PHE 25 -4.854 -3.956 0.048 189 1HB PHE 25 1HB PHE 25 -2.816 -6.161 -0.165 190 2HB PHE 25 2HB PHE 25 -4.509 -6.454 -0.556 191 HD1 PHE 25 HD1 PHE 25 -2.054 -3.718 -1.332 192 HD2 PHE 25 HD2 PHE 25 -4.893 -6.541 -2.759 193 HE1 PHE 25 HE1 PHE 25 -1.635 -2.958 -3.641 194 HE2 PHE 25 HE2 PHE 25 -4.505 -5.779 -5.056 195 HZ PHE 25 HZ PHE 25 -2.877 -3.983 -5.505 196 H TYR 26 H TYR 26 -4.674 -3.562 2.754 197 HA TYR 26 HA TYR 26 -4.854 -5.664 4.489 198 1HB TYR 26 1HB TYR 26 -6.534 -4.202 5.764 199 2HB TYR 26 2HB TYR 26 -4.932 -3.546 5.467 200 HD1 TYR 26 HD1 TYR 26 -8.183 -3.671 3.597 201 HD2 TYR 26 HD2 TYR 26 -4.927 -1.313 4.983 202 HE1 TYR 26 HE1 TYR 26 -9.193 -1.687 2.561 203 HE2 TYR 26 HE2 TYR 26 -5.930 0.682 3.974 204 HH TYR 26 HH TYR 26 -9.143 0.662 2.649 205 H ALA 27 H ALA 27 -6.342 -7.106 5.176 206 HA ALA 27 HA ALA 27 -8.265 -7.985 3.289 207 1HB ALA 27 1HB ALA 27 -7.168 -8.922 5.819 208 2HB ALA 27 2HB ALA 27 -7.687 -9.831 4.401 209 3HB ALA 27 3HB ALA 27 -8.871 -9.330 5.606 210 H THR 28 H THR 28 -10.388 -7.682 3.137 211 HA THR 28 HA THR 28 -11.651 -5.586 4.526 212 HB THR 28 HB THR 28 -12.440 -6.162 2.336 213 HG1 THR 28 HG1 THR 28 -14.677 -6.511 2.808 214 1HG2 THR 28 1HG2 THR 28 -13.285 -8.200 1.640 215 2HG2 THR 28 2HG2 THR 28 -13.530 -8.777 3.288 216 3HG2 THR 28 3HG2 THR 28 -11.900 -8.665 2.626 217 H TRP 29 H TRP 29 -11.128 -8.865 5.217 218 HA TRP 29 HA TRP 29 -13.208 -9.030 7.258 219 1HB TRP 29 1HB TRP 29 -12.195 -11.459 7.398 220 2HB TRP 29 2HB TRP 29 -13.208 -11.013 6.021 221 HD1 TRP 29 HD1 TRP 29 -12.012 -10.680 3.659 222 HE1 TRP 29 HE1 TRP 29 -9.734 -11.436 2.741 223 HE3 TRP 29 HE3 TRP 29 -9.725 -11.971 8.060 224 HZ2 TRP 29 HZ2 TRP 29 -7.294 -12.420 3.745 225 HZ3 TRP 29 HZ3 TRP 29 -7.429 -12.780 7.995 226 HH2 TRP 29 HH2 TRP 29 -6.236 -13.000 5.877 227 H CYS 30 H CYS 30 -10.909 -11.086 8.294 228 HA CYS 30 HA CYS 30 -9.623 -11.167 10.145 229 1HB CYS 30 1HB CYS 30 -8.022 -10.336 8.525 230 2HB CYS 30 2HB CYS 30 -8.524 -8.679 8.847 231 HG CYS 30 HG CYS 30 -7.213 -10.315 11.135 232 H GLY 31 H GLY 31 -9.451 -7.635 10.103 233 1HA GLY 31 1HA GLY 31 -11.404 -6.691 11.623 234 2HA GLY 31 2HA GLY 31 -10.508 -7.609 12.822 235 HA PRO 32 HA PRO 32 -7.837 -4.194 13.547 236 1HB PRO 32 1HB PRO 32 -5.377 -5.342 13.778 237 2HB PRO 32 2HB PRO 32 -6.628 -5.461 15.018 238 1HG PRO 32 1HG PRO 32 -5.866 -7.438 12.901 239 2HG PRO 32 2HG PRO 32 -6.239 -7.718 14.612 240 1HD PRO 32 1HD PRO 32 -8.039 -8.187 12.664 241 2HD PRO 32 2HD PRO 32 -8.520 -7.597 14.268 242 H CYS 33 H CYS 33 -7.507 -5.970 10.669 243 HA CYS 33 HA CYS 33 -5.212 -5.028 9.478 244 1HB CYS 33 1HB CYS 33 -7.929 -5.578 8.282 245 2HB CYS 33 2HB CYS 33 -6.511 -5.181 7.304 246 HG CYS 33 HG CYS 33 -5.883 -7.529 7.419 247 H LYS 34 H LYS 34 -8.251 -3.334 9.983 248 HA LYS 34 HA LYS 34 -7.544 -1.098 8.330 249 1HB LYS 34 1HB LYS 34 -9.709 -1.395 10.419 250 2HB LYS 34 2HB LYS 34 -9.555 -0.037 9.314 251 1HG LYS 34 1HG LYS 34 -10.039 -2.904 8.533 252 2HG LYS 34 2HG LYS 34 -11.242 -1.612 8.551 253 1HD LYS 34 1HD LYS 34 -9.963 -0.398 6.856 254 2HD LYS 34 2HD LYS 34 -8.752 -1.682 6.845 255 1HE LYS 34 1HE LYS 34 -11.659 -1.981 6.095 256 2HE LYS 34 2HE LYS 34 -10.305 -1.899 4.968 257 1HZ LYS 34 1HZ LYS 34 -9.520 -3.898 6.530 258 2HZ LYS 34 2HZ LYS 34 -10.435 -4.126 5.127 259 3HZ LYS 34 3HZ LYS 34 -11.196 -4.102 6.637 260 H MET 35 H MET 35 -6.412 -2.084 11.286 261 HA MET 35 HA MET 35 -6.198 0.508 12.540 262 1HB MET 35 1HB MET 35 -6.383 -1.581 13.857 263 2HB MET 35 2HB MET 35 -4.832 -2.103 13.216 264 1HG MET 35 1HG MET 35 -3.720 -0.256 14.310 265 2HG MET 35 2HG MET 35 -5.267 0.360 14.889 266 1HE MET 35 1HE MET 35 -2.652 -0.493 17.048 267 2HE MET 35 2HE MET 35 -3.930 -0.710 18.243 268 3HE MET 35 3HE MET 35 -4.057 0.574 17.041 269 H ILE 36 H ILE 36 -4.778 -0.702 9.904 270 HA ILE 36 HA ILE 36 -2.036 0.054 10.427 271 HB ILE 36 HB ILE 36 -3.372 -0.822 7.866 272 1HG1 ILE 36 1HG1 ILE 36 -1.701 -2.365 9.862 273 2HG1 ILE 36 2HG1 ILE 36 -3.431 -2.557 9.595 274 1HG2 ILE 36 1HG2 ILE 36 -0.648 -1.395 7.777 275 2HG2 ILE 36 2HG2 ILE 36 -0.759 0.247 8.412 276 3HG2 ILE 36 3HG2 ILE 36 -1.512 -0.156 6.870 277 1HD1 ILE 36 1HD1 ILE 36 -1.780 -2.873 7.197 278 2HD1 ILE 36 2HD1 ILE 36 -3.129 -3.842 7.791 279 3HD1 ILE 36 3HD1 ILE 36 -1.512 -4.082 8.455 280 H ALA 37 H ALA 37 -4.880 1.602 9.381 281 HA ALA 37 HA ALA 37 -4.009 3.443 7.511 282 1HB ALA 37 1HB ALA 37 -5.970 4.567 7.881 283 2HB ALA 37 2HB ALA 37 -5.905 4.334 9.629 284 3HB ALA 37 3HB ALA 37 -6.364 2.994 8.575 285 HA PRO 38 HA PRO 38 -2.667 6.353 11.119 286 1HB PRO 38 1HB PRO 38 -1.892 5.149 13.439 287 2HB PRO 38 2HB PRO 38 -3.527 5.764 13.156 288 1HG PRO 38 1HG PRO 38 -2.504 2.970 13.055 289 2HG PRO 38 2HG PRO 38 -4.072 3.576 13.610 290 1HD PRO 38 1HD PRO 38 -3.643 2.393 11.179 291 2HD PRO 38 2HD PRO 38 -4.964 3.516 11.505 292 H MET 39 H MET 39 -1.177 3.112 11.181 293 HA MET 39 HA MET 39 1.458 3.989 11.531 294 1HB MET 39 1HB MET 39 0.264 1.504 10.331 295 2HB MET 39 2HB MET 39 1.977 1.725 10.531 296 1HG MET 39 1HG MET 39 1.602 2.011 12.933 297 2HG MET 39 2HG MET 39 -0.097 1.651 12.686 298 1HE MET 39 1HE MET 39 -0.967 -0.847 11.841 299 2HE MET 39 2HE MET 39 0.194 -2.031 11.240 300 3HE MET 39 3HE MET 39 0.029 -0.471 10.434 301 H ILE 40 H ILE 40 -0.295 2.972 8.597 302 HA ILE 40 HA ILE 40 1.607 3.461 6.678 303 HB ILE 40 HB ILE 40 -1.379 3.947 6.538 304 1HG1 ILE 40 1HG1 ILE 40 0.334 1.644 5.581 305 2HG1 ILE 40 2HG1 ILE 40 -0.701 1.636 7.003 306 1HG2 ILE 40 1HG2 ILE 40 -1.135 3.856 4.092 307 2HG2 ILE 40 2HG2 ILE 40 0.619 3.814 4.276 308 3HG2 ILE 40 3HG2 ILE 40 -0.288 5.238 4.785 309 1HD1 ILE 40 1HD1 ILE 40 -2.615 1.449 5.778 310 2HD1 ILE 40 2HD1 ILE 40 -1.488 0.623 4.702 311 3HD1 ILE 40 3HD1 ILE 40 -1.936 2.299 4.391 312 H GLU 41 H GLU 41 -0.213 5.756 8.548 313 HA GLU 41 HA GLU 41 0.400 8.022 6.887 314 1HB GLU 41 1HB GLU 41 -1.646 7.977 8.206 315 2HB GLU 41 2HB GLU 41 -0.717 7.826 9.690 316 1HG GLU 41 1HG GLU 41 0.241 10.044 9.308 317 2HG GLU 41 2HG GLU 41 -0.698 10.192 7.824 318 H LYS 42 H LYS 42 1.747 6.506 9.746 319 HA LYS 42 HA LYS 42 3.441 8.626 10.533 320 1HB LYS 42 1HB LYS 42 3.665 5.651 11.015 321 2HB LYS 42 2HB LYS 42 4.663 6.863 11.806 322 1HG LYS 42 1HG LYS 42 2.674 7.844 12.813 323 2HG LYS 42 2HG LYS 42 1.675 6.627 12.016 324 1HD LYS 42 1HD LYS 42 2.865 4.862 13.219 325 2HD LYS 42 2HD LYS 42 3.868 6.078 14.015 326 1HE LYS 42 1HE LYS 42 1.878 7.050 15.033 327 2HE LYS 42 2HE LYS 42 0.876 5.839 14.236 328 1HZ LYS 42 1HZ LYS 42 2.585 5.586 16.571 329 2HZ LYS 42 2HZ LYS 42 2.622 4.281 15.497 330 3HZ LYS 42 3HZ LYS 42 1.155 4.770 16.183 331 H PHE 43 H PHE 43 3.680 6.309 7.986 332 HA PHE 43 HA PHE 43 6.551 6.674 7.702 333 1HB PHE 43 1HB PHE 43 4.571 5.041 6.109 334 2HB PHE 43 2HB PHE 43 6.296 5.113 5.763 335 HD1 PHE 43 HD1 PHE 43 4.100 4.547 8.730 336 HD2 PHE 43 HD2 PHE 43 7.534 3.350 6.524 337 HE1 PHE 43 HE1 PHE 43 4.491 2.729 10.337 338 HE2 PHE 43 HE2 PHE 43 7.932 1.525 8.127 339 HZ PHE 43 HZ PHE 43 6.410 1.212 10.038 340 H SER 44 H SER 44 3.672 8.083 6.523 341 HA SER 44 HA SER 44 4.700 8.985 4.013 342 1HB SER 44 1HB SER 44 2.290 8.746 4.362 343 2HB SER 44 2HB SER 44 2.341 9.979 5.634 344 HG SER 44 HG SER 44 2.917 10.336 2.877 345 H GLU 45 H GLU 45 5.425 9.859 7.150 346 HA GLU 45 HA GLU 45 5.839 12.683 6.587 347 1HB GLU 45 1HB GLU 45 6.429 11.059 9.068 348 2HB GLU 45 2HB GLU 45 6.595 12.804 8.933 349 1HG GLU 45 1HG GLU 45 4.197 13.003 8.520 350 2HG GLU 45 2HG GLU 45 4.031 11.252 8.654 351 H GLN 46 H GLN 46 7.643 9.716 6.769 352 HA GLN 46 HA GLN 46 10.201 11.098 6.732 353 1HB GLN 46 1HB GLN 46 9.516 8.157 6.711 354 2HB GLN 46 2HB GLN 46 11.153 8.800 6.747 355 1HG GLN 46 1HG GLN 46 10.679 9.894 8.873 356 2HG GLN 46 2HG GLN 46 9.038 9.249 8.838 357 1HE2 GLN 46 1HE2 GLN 46 8.769 7.565 10.093 358 2HE2 GLN 46 2HE2 GLN 46 9.963 6.348 10.455 359 H TYR 47 H TYR 47 8.034 9.498 4.525 360 HA TYR 47 HA TYR 47 9.981 9.977 2.365 361 1HB TYR 47 1HB TYR 47 7.947 7.748 2.540 362 2HB TYR 47 2HB TYR 47 9.029 8.042 1.182 363 HD1 TYR 47 HD1 TYR 47 11.579 8.041 1.739 364 HD2 TYR 47 HD2 TYR 47 8.599 6.304 4.224 365 HE1 TYR 47 HE1 TYR 47 13.297 6.645 2.809 366 HE2 TYR 47 HE2 TYR 47 10.308 4.893 5.299 367 HH TYR 47 HH TYR 47 12.501 4.031 4.900 368 HA PRO 48 HA PRO 48 5.716 12.359 2.132 369 1HB PRO 48 1HB PRO 48 7.856 14.319 1.422 370 2HB PRO 48 2HB PRO 48 6.313 14.594 2.238 371 1HG PRO 48 1HG PRO 48 8.626 14.442 3.596 372 2HG PRO 48 2HG PRO 48 7.098 13.850 4.269 373 1HD PRO 48 1HD PRO 48 9.445 12.333 3.341 374 2HD PRO 48 2HD PRO 48 8.118 11.828 4.409 375 H GLN 49 H GLN 49 8.593 12.045 0.160 376 HA GLN 49 HA GLN 49 7.530 12.958 -2.274 377 1HB GLN 49 1HB GLN 49 9.694 10.898 -1.807 378 2HB GLN 49 2HB GLN 49 9.368 11.696 -3.340 379 1HG GLN 49 1HG GLN 49 9.925 13.851 -2.340 380 2HG GLN 49 2HG GLN 49 10.242 13.056 -0.801 381 1HE2 GLN 49 1HE2 GLN 49 11.270 10.943 -3.106 382 2HE2 GLN 49 2HE2 GLN 49 12.925 11.416 -3.208 383 H ALA 50 H ALA 50 7.434 9.826 -0.701 384 HA ALA 50 HA ALA 50 6.120 8.588 -2.980 385 1HB ALA 50 1HB ALA 50 7.451 6.978 -2.106 386 2HB ALA 50 2HB ALA 50 6.030 6.677 -1.104 387 3HB ALA 50 3HB ALA 50 7.369 7.639 -0.475 388 H ASP 51 H ASP 51 3.999 7.972 -3.060 389 HA ASP 51 HA ASP 51 2.224 9.250 -1.139 390 1HB ASP 51 1HB ASP 51 1.608 7.785 -3.714 391 2HB ASP 51 2HB ASP 51 0.437 8.659 -2.734 392 H PHE 52 H PHE 52 1.209 8.205 0.451 393 HA PHE 52 HA PHE 52 1.419 5.282 0.508 394 1HB PHE 52 1HB PHE 52 0.930 7.283 2.719 395 2HB PHE 52 2HB PHE 52 0.908 5.528 2.947 396 HD1 PHE 52 HD1 PHE 52 3.139 8.088 1.375 397 HD2 PHE 52 HD2 PHE 52 2.811 4.612 3.807 398 HE1 PHE 52 HE1 PHE 52 5.577 8.096 1.707 399 HE2 PHE 52 HE2 PHE 52 5.247 4.614 4.146 400 HZ PHE 52 HZ PHE 52 6.634 6.357 3.097 401 H TYR 53 H TYR 53 -0.326 4.764 -0.803 402 HA TYR 53 HA TYR 53 -2.988 5.600 0.090 403 1HB TYR 53 1HB TYR 53 -1.939 4.372 -2.445 404 2HB TYR 53 2HB TYR 53 -3.654 4.305 -2.060 405 HD1 TYR 53 HD1 TYR 53 -4.717 6.634 -1.401 406 HD2 TYR 53 HD2 TYR 53 -1.164 6.162 -3.689 407 HE1 TYR 53 HE1 TYR 53 -5.031 8.883 -2.341 408 HE2 TYR 53 HE2 TYR 53 -1.464 8.412 -4.633 409 HH TYR 53 HH TYR 53 -4.167 10.033 -4.694 410 H LYS 54 H LYS 54 -4.591 3.555 -0.546 411 HA LYS 54 HA LYS 54 -3.502 1.099 0.534 412 1HB LYS 54 1HB LYS 54 -5.815 2.472 1.902 413 2HB LYS 54 2HB LYS 54 -5.107 0.924 2.339 414 1HG LYS 54 1HG LYS 54 -2.967 2.103 2.805 415 2HG LYS 54 2HG LYS 54 -3.803 3.630 2.522 416 1HD LYS 54 1HD LYS 54 -4.394 1.598 4.672 417 2HD LYS 54 2HD LYS 54 -3.734 3.220 4.887 418 1HE LYS 54 1HE LYS 54 -5.810 4.192 4.069 419 2HE LYS 54 2HE LYS 54 -6.464 2.579 3.789 420 1HZ LYS 54 1HZ LYS 54 -5.562 2.810 6.457 421 2HZ LYS 54 2HZ LYS 54 -7.118 2.475 5.886 422 3HZ LYS 54 3HZ LYS 54 -6.626 4.078 6.107 423 H LEU 55 H LEU 55 -4.515 -0.685 -0.169 424 HA LEU 55 HA LEU 55 -6.622 -0.311 -2.142 425 1HB LEU 55 1HB LEU 55 -4.555 -1.654 -2.604 426 2HB LEU 55 2HB LEU 55 -5.106 -2.814 -1.416 427 HG LEU 55 HG LEU 55 -5.542 -3.475 -3.780 428 1HD1 LEU 55 1HD1 LEU 55 -8.256 -3.254 -2.729 429 2HD1 LEU 55 2HD1 LEU 55 -7.082 -3.851 -1.556 430 3HD1 LEU 55 3HD1 LEU 55 -7.290 -4.684 -3.098 431 1HD2 LEU 55 1HD2 LEU 55 -6.829 -2.280 -5.202 432 2HD2 LEU 55 2HD2 LEU 55 -6.267 -0.935 -4.208 433 3HD2 LEU 55 3HD2 LEU 55 -7.855 -1.645 -3.916 434 H ASP 56 H ASP 56 -8.647 -1.201 -2.021 435 HA ASP 56 HA ASP 56 -9.465 -2.079 0.646 436 1HB ASP 56 1HB ASP 56 -10.650 -0.174 -0.517 437 2HB ASP 56 2HB ASP 56 -11.237 -1.350 -1.693 438 H VAL 57 H VAL 57 -9.505 -4.206 0.988 439 HA VAL 57 HA VAL 57 -9.760 -6.080 -1.182 440 HB VAL 57 HB VAL 57 -9.627 -6.517 1.817 441 1HG1 VAL 57 1HG1 VAL 57 -10.739 -8.432 1.034 442 2HG1 VAL 57 2HG1 VAL 57 -9.040 -8.910 1.039 443 3HG1 VAL 57 3HG1 VAL 57 -9.826 -8.461 -0.475 444 1HG2 VAL 57 1HG2 VAL 57 -7.604 -5.598 0.650 445 2HG2 VAL 57 2HG2 VAL 57 -7.561 -7.070 -0.320 446 3HG2 VAL 57 3HG2 VAL 57 -7.353 -7.160 1.430 447 H ASP 58 H ASP 58 -11.948 -4.241 0.469 448 HA ASP 58 HA ASP 58 -14.087 -6.232 0.477 449 1HB ASP 58 1HB ASP 58 -13.813 -4.665 2.414 450 2HB ASP 58 2HB ASP 58 -14.164 -3.327 1.327 451 H GLU 59 H GLU 59 -13.028 -3.308 -1.119 452 HA GLU 59 HA GLU 59 -15.351 -3.371 -2.903 453 1HB GLU 59 1HB GLU 59 -14.818 -1.237 -1.776 454 2HB GLU 59 2HB GLU 59 -13.235 -1.235 -2.545 455 1HG GLU 59 1HG GLU 59 -14.710 0.245 -3.728 456 2HG GLU 59 2HG GLU 59 -14.340 -1.147 -4.745 457 H LEU 60 H LEU 60 -11.804 -3.205 -2.955 458 HA LEU 60 HA LEU 60 -11.840 -3.978 -5.787 459 1HB LEU 60 1HB LEU 60 -9.659 -2.829 -4.054 460 2HB LEU 60 2HB LEU 60 -9.383 -3.417 -5.681 461 HG LEU 60 HG LEU 60 -10.973 -1.728 -6.540 462 1HD1 LEU 60 1HD1 LEU 60 -11.200 0.162 -4.611 463 2HD1 LEU 60 2HD1 LEU 60 -11.390 -1.315 -3.668 464 3HD1 LEU 60 3HD1 LEU 60 -12.459 -0.996 -5.033 465 1HD2 LEU 60 1HD2 LEU 60 -8.963 -0.269 -4.880 466 2HD2 LEU 60 2HD2 LEU 60 -9.428 -0.015 -6.561 467 3HD2 LEU 60 3HD2 LEU 60 -8.424 -1.398 -6.123 468 H GLY 61 H GLY 61 -12.482 -5.887 -3.750 469 1HA GLY 61 1HA GLY 61 -10.430 -7.511 -2.874 470 2HA GLY 61 2HA GLY 61 -12.026 -8.097 -3.311 471 H ASP 62 H ASP 62 -11.598 -7.087 -6.110 472 HA ASP 62 HA ASP 62 -10.664 -9.483 -7.238 473 1HB ASP 62 1HB ASP 62 -11.031 -6.805 -8.511 474 2HB ASP 62 2HB ASP 62 -10.813 -8.306 -9.387 475 H VAL 63 H VAL 63 -9.075 -6.492 -6.429 476 HA VAL 63 HA VAL 63 -6.728 -6.978 -7.991 477 HB VAL 63 HB VAL 63 -6.898 -5.161 -5.591 478 1HG1 VAL 63 1HG1 VAL 63 -5.359 -4.440 -7.996 479 2HG1 VAL 63 2HG1 VAL 63 -4.749 -5.816 -7.078 480 3HG1 VAL 63 3HG1 VAL 63 -4.956 -4.253 -6.290 481 1HG2 VAL 63 1HG2 VAL 63 -7.594 -3.379 -7.109 482 2HG2 VAL 63 2HG2 VAL 63 -8.785 -4.679 -7.073 483 3HG2 VAL 63 3HG2 VAL 63 -7.677 -4.534 -8.439 484 H ALA 64 H ALA 64 -7.431 -7.186 -4.493 485 HA ALA 64 HA ALA 64 -4.976 -8.178 -3.609 486 1HB ALA 64 1HB ALA 64 -7.764 -8.248 -2.619 487 2HB ALA 64 2HB ALA 64 -6.285 -7.712 -1.820 488 3HB ALA 64 3HB ALA 64 -6.652 -9.434 -1.933 489 H GLN 65 H GLN 65 -7.603 -9.744 -5.290 490 HA GLN 65 HA GLN 65 -6.478 -12.399 -4.909 491 1HB GLN 65 1HB GLN 65 -8.909 -12.134 -4.816 492 2HB GLN 65 2HB GLN 65 -8.911 -11.477 -6.447 493 1HG GLN 65 1HG GLN 65 -8.086 -13.612 -7.305 494 2HG GLN 65 2HG GLN 65 -8.095 -14.268 -5.672 495 1HE2 GLN 65 1HE2 GLN 65 -10.697 -12.251 -5.839 496 2HE2 GLN 65 2HE2 GLN 65 -11.908 -13.388 -6.303 497 H LYS 66 H LYS 66 -6.613 -9.879 -7.319 498 HA LYS 66 HA LYS 66 -5.908 -11.435 -9.559 499 1HB LYS 66 1HB LYS 66 -6.547 -9.480 -10.429 500 2HB LYS 66 2HB LYS 66 -6.299 -8.654 -8.905 501 1HG LYS 66 1HG LYS 66 -4.954 -7.591 -10.537 502 2HG LYS 66 2HG LYS 66 -3.886 -8.489 -9.462 503 1HD LYS 66 1HD LYS 66 -3.769 -10.306 -11.115 504 2HD LYS 66 2HD LYS 66 -4.825 -9.387 -12.186 505 1HE LYS 66 1HE LYS 66 -2.097 -8.531 -11.228 506 2HE LYS 66 2HE LYS 66 -2.478 -9.160 -12.830 507 1HZ LYS 66 1HZ LYS 66 -3.009 -6.532 -11.689 508 2HZ LYS 66 2HZ LYS 66 -4.202 -7.164 -12.707 509 3HZ LYS 66 3HZ LYS 66 -2.622 -6.965 -13.278 510 H ASN 67 H ASN 67 -3.978 -9.423 -7.353 511 HA ASN 67 HA ASN 67 -1.498 -10.296 -8.485 512 1HB ASN 67 1HB ASN 67 -2.169 -8.682 -6.016 513 2HB ASN 67 2HB ASN 67 -0.536 -8.963 -6.620 514 1HD2 ASN 67 1HD2 ASN 67 -2.968 -6.804 -6.545 515 2HD2 ASN 67 2HD2 ASN 67 -2.618 -5.906 -7.999 516 H GLU 68 H GLU 68 -3.683 -11.844 -6.601 517 HA GLU 68 HA GLU 68 -3.633 -13.680 -5.277 518 1HB GLU 68 1HB GLU 68 -0.746 -13.828 -6.160 519 2HB GLU 68 2HB GLU 68 -1.640 -15.121 -5.372 520 1HG GLU 68 1HG GLU 68 -2.334 -13.912 -8.039 521 2HG GLU 68 2HG GLU 68 -1.452 -15.422 -7.805 522 H VAL 69 H VAL 69 -3.295 -11.192 -4.030 523 HA VAL 69 HA VAL 69 -1.330 -11.776 -1.918 524 HB VAL 69 HB VAL 69 -2.700 -9.143 -2.484 525 1HG1 VAL 69 1HG1 VAL 69 -0.670 -8.339 -1.125 526 2HG1 VAL 69 2HG1 VAL 69 -0.547 -10.013 -0.584 527 3HG1 VAL 69 3HG1 VAL 69 -2.012 -9.083 -0.259 528 1HG2 VAL 69 1HG2 VAL 69 -0.612 -8.425 -3.503 529 2HG2 VAL 69 2HG2 VAL 69 -1.266 -9.821 -4.359 530 3HG2 VAL 69 3HG2 VAL 69 0.086 -10.024 -3.243 531 H SER 70 H SER 70 -3.426 -13.347 -1.608 532 HA SER 70 HA SER 70 -5.581 -12.146 -0.170 533 1HB SER 70 1HB SER 70 -6.360 -14.398 0.247 534 2HB SER 70 2HB SER 70 -5.826 -14.270 -1.437 535 HG SER 70 HG SER 70 -4.386 -15.411 0.728 536 H ALA 71 H ALA 71 -2.407 -12.962 0.667 537 HA ALA 71 HA ALA 71 -2.986 -13.442 3.477 538 1HB ALA 71 1HB ALA 71 -0.200 -12.991 2.600 539 2HB ALA 71 2HB ALA 71 -1.020 -14.391 1.911 540 3HB ALA 71 3HB ALA 71 -0.868 -14.230 3.661 541 H MET 72 H MET 72 -4.083 -11.198 3.244 542 HA MET 72 HA MET 72 -2.238 -8.973 3.473 543 1HB MET 72 1HB MET 72 -4.513 -7.726 3.824 544 2HB MET 72 2HB MET 72 -4.033 -8.281 2.229 545 1HG MET 72 1HG MET 72 -5.648 -10.127 3.894 546 2HG MET 72 2HG MET 72 -6.440 -8.699 3.229 547 1HE MET 72 1HE MET 72 -7.867 -10.621 2.607 548 2HE MET 72 2HE MET 72 -7.271 -12.056 1.771 549 3HE MET 72 3HE MET 72 -8.011 -10.743 0.854 550 HA PRO 73 HA PRO 73 -3.188 -6.702 4.282 551 1HB PRO 73 1HB PRO 73 -1.709 -5.012 5.777 552 2HB PRO 73 2HB PRO 73 -3.453 -5.237 6.013 553 1HG PRO 73 1HG PRO 73 -1.165 -6.389 7.540 554 2HG PRO 73 2HG PRO 73 -2.708 -5.756 8.134 555 1HD PRO 73 1HD PRO 73 -2.182 -8.419 7.851 556 2HD PRO 73 2HD PRO 73 -3.810 -7.724 7.736 557 H THR 74 H THR 74 -1.808 -6.402 2.675 558 HA THR 74 HA THR 74 1.006 -7.177 3.070 559 HB THR 74 HB THR 74 -0.775 -7.463 0.647 560 HG1 THR 74 HG1 THR 74 -0.550 -9.067 2.543 561 1HG2 THR 74 1HG2 THR 74 1.500 -8.827 0.023 562 2HG2 THR 74 2HG2 THR 74 2.135 -7.360 0.760 563 3HG2 THR 74 3HG2 THR 74 1.044 -7.249 -0.616 564 H LEU 75 H LEU 75 2.592 -5.981 1.862 565 HA LEU 75 HA LEU 75 1.699 -3.245 1.253 566 1HB LEU 75 1HB LEU 75 4.461 -4.207 1.995 567 2HB LEU 75 2HB LEU 75 3.978 -2.541 1.746 568 HG LEU 75 HG LEU 75 3.008 -4.345 3.965 569 1HD1 LEU 75 1HD1 LEU 75 4.236 -2.262 5.152 570 2HD1 LEU 75 2HD1 LEU 75 5.218 -2.430 3.697 571 3HD1 LEU 75 3HD1 LEU 75 5.022 -3.798 4.790 572 1HD2 LEU 75 1HD2 LEU 75 1.228 -2.952 3.819 573 2HD2 LEU 75 2HD2 LEU 75 2.136 -1.698 2.975 574 3HD2 LEU 75 3HD2 LEU 75 2.296 -1.878 4.723 575 H LEU 76 H LEU 76 1.568 -2.814 -0.835 576 HA LEU 76 HA LEU 76 3.407 -4.181 -2.679 577 1HB LEU 76 1HB LEU 76 0.647 -3.038 -3.100 578 2HB LEU 76 2HB LEU 76 1.687 -3.531 -4.434 579 HG LEU 76 HG LEU 76 0.469 -5.275 -2.298 580 1HD1 LEU 76 1HD1 LEU 76 -1.015 -5.853 -3.846 581 2HD1 LEU 76 2HD1 LEU 76 0.242 -6.119 -5.054 582 3HD1 LEU 76 3HD1 LEU 76 -0.417 -4.502 -4.810 583 1HD2 LEU 76 1HD2 LEU 76 1.681 -7.089 -3.756 584 2HD2 LEU 76 2HD2 LEU 76 2.518 -6.296 -2.422 585 3HD2 LEU 76 3HD2 LEU 76 2.802 -5.769 -4.082 586 H LEU 77 H LEU 77 4.889 -3.027 -3.703 587 HA LEU 77 HA LEU 77 4.663 -0.095 -3.627 588 1HB LEU 77 1HB LEU 77 7.119 -1.839 -3.838 589 2HB LEU 77 2HB LEU 77 7.128 -0.086 -3.878 590 HG LEU 77 HG LEU 77 6.198 -0.059 -1.575 591 1HD1 LEU 77 1HD1 LEU 77 5.109 -1.977 -1.072 592 2HD1 LEU 77 2HD1 LEU 77 6.694 -2.424 -0.438 593 3HD1 LEU 77 3HD1 LEU 77 6.195 -2.978 -2.037 594 1HD2 LEU 77 1HD2 LEU 77 8.644 0.061 -2.083 595 2HD2 LEU 77 2HD2 LEU 77 8.735 -1.671 -1.764 596 3HD2 LEU 77 3HD2 LEU 77 8.255 -0.562 -0.480 597 H PHE 78 H PHE 78 4.968 1.105 -5.459 598 HA PHE 78 HA PHE 78 5.487 -0.286 -7.995 599 1HB PHE 78 1HB PHE 78 3.153 1.593 -7.545 600 2HB PHE 78 2HB PHE 78 3.527 0.728 -9.026 601 HD1 PHE 78 HD1 PHE 78 3.524 -1.867 -8.877 602 HD2 PHE 78 HD2 PHE 78 1.690 0.694 -6.016 603 HE1 PHE 78 HE1 PHE 78 2.109 -3.733 -8.116 604 HE2 PHE 78 HE2 PHE 78 0.279 -1.166 -5.253 605 HZ PHE 78 HZ PHE 78 0.479 -3.379 -6.298 606 H LYS 79 H LYS 79 6.930 0.883 -9.234 607 HA LYS 79 HA LYS 79 7.101 3.775 -8.632 608 1HB LYS 79 1HB LYS 79 9.308 1.869 -9.382 609 2HB LYS 79 2HB LYS 79 9.482 3.611 -9.484 610 1HG LYS 79 1HG LYS 79 8.900 3.730 -7.057 611 2HG LYS 79 2HG LYS 79 8.981 1.971 -7.014 612 1HD LYS 79 1HD LYS 79 11.085 2.751 -6.258 613 2HD LYS 79 2HD LYS 79 11.338 2.180 -7.906 614 1HE LYS 79 1HE LYS 79 10.807 5.067 -7.244 615 2HE LYS 79 2HE LYS 79 12.430 4.382 -7.281 616 1HZ LYS 79 1HZ LYS 79 12.379 4.952 -9.423 617 2HZ LYS 79 2HZ LYS 79 10.697 5.114 -9.459 618 3HZ LYS 79 3HZ LYS 79 11.402 3.588 -9.645 619 H ASN 80 H ASN 80 6.880 5.201 -10.225 620 HA ASN 80 HA ASN 80 6.256 6.014 -12.260 621 1HB ASN 80 1HB ASN 80 8.409 4.094 -13.170 622 2HB ASN 80 2HB ASN 80 7.770 5.437 -14.113 623 1HD2 ASN 80 1HD2 ASN 80 10.281 4.510 -12.279 624 2HD2 ASN 80 2HD2 ASN 80 10.826 6.045 -11.704 625 H GLY 81 H GLY 81 4.201 4.749 -11.844 626 1HA GLY 81 1HA GLY 81 2.514 3.364 -12.540 627 2HA GLY 81 2HA GLY 81 3.101 3.794 -14.145 628 H LYS 82 H LYS 82 5.052 1.998 -11.879 629 HA LYS 82 HA LYS 82 4.460 -0.504 -13.284 630 1HB LYS 82 1HB LYS 82 7.223 0.646 -12.849 631 2HB LYS 82 2HB LYS 82 6.912 -0.999 -13.377 632 1HG LYS 82 1HG LYS 82 5.849 -0.179 -15.397 633 2HG LYS 82 2HG LYS 82 6.103 1.484 -14.869 634 1HD LYS 82 1HD LYS 82 8.522 1.131 -14.912 635 2HD LYS 82 2HD LYS 82 8.272 -0.539 -15.423 636 1HE LYS 82 1HE LYS 82 7.464 1.932 -16.953 637 2HE LYS 82 2HE LYS 82 8.834 0.885 -17.321 638 1HZ LYS 82 1HZ LYS 82 7.342 -0.056 -18.698 639 2HZ LYS 82 2HZ LYS 82 6.001 0.473 -17.813 640 3HZ LYS 82 3HZ LYS 82 6.863 -0.890 -17.306 641 H GLU 83 H GLU 83 6.461 -2.010 -11.971 642 HA GLU 83 HA GLU 83 5.426 -1.941 -9.217 643 1HB GLU 83 1HB GLU 83 4.895 -3.939 -10.629 644 2HB GLU 83 2HB GLU 83 6.613 -4.251 -10.782 645 1HG GLU 83 1HG GLU 83 6.811 -4.840 -8.516 646 2HG GLU 83 2HG GLU 83 5.225 -4.175 -8.121 647 H VAL 84 H VAL 84 7.183 -3.233 -7.748 648 HA VAL 84 HA VAL 84 9.914 -2.706 -8.387 649 HB VAL 84 HB VAL 84 10.282 -1.233 -6.353 650 1HG1 VAL 84 1HG1 VAL 84 10.071 -0.625 -8.927 651 2HG1 VAL 84 2HG1 VAL 84 10.333 0.597 -7.686 652 3HG1 VAL 84 3HG1 VAL 84 8.712 0.324 -8.323 653 1HG2 VAL 84 1HG2 VAL 84 7.406 -1.470 -6.287 654 2HG2 VAL 84 2HG2 VAL 84 7.914 0.214 -6.344 655 3HG2 VAL 84 3HG2 VAL 84 8.511 -0.846 -5.067 656 H ALA 85 H ALA 85 7.618 -3.281 -5.721 657 HA ALA 85 HA ALA 85 8.895 -5.737 -5.049 658 1HB ALA 85 1HB ALA 85 10.507 -4.060 -4.123 659 2HB ALA 85 2HB ALA 85 9.862 -5.203 -2.945 660 3HB ALA 85 3HB ALA 85 9.239 -3.554 -3.007 661 H LYS 86 H LYS 86 7.986 -6.706 -3.040 662 HA LYS 86 HA LYS 86 5.393 -5.617 -2.244 663 1HB LYS 86 1HB LYS 86 4.312 -7.813 -2.572 664 2HB LYS 86 2HB LYS 86 4.856 -7.106 -4.087 665 1HG LYS 86 1HG LYS 86 6.878 -8.545 -3.964 666 2HG LYS 86 2HG LYS 86 6.184 -9.321 -2.542 667 1HD LYS 86 1HD LYS 86 4.883 -9.228 -5.263 668 2HD LYS 86 2HD LYS 86 5.810 -10.592 -4.637 669 1HE LYS 86 1HE LYS 86 3.530 -11.112 -4.279 670 2HE LYS 86 2HE LYS 86 4.190 -10.660 -2.709 671 1HZ LYS 86 1HZ LYS 86 1.951 -9.629 -3.877 672 2HZ LYS 86 2HZ LYS 86 3.106 -8.418 -4.111 673 3HZ LYS 86 3HZ LYS 86 2.770 -8.976 -2.550 674 H VAL 87 H VAL 87 5.454 -5.520 -0.102 675 HA VAL 87 HA VAL 87 6.865 -7.654 1.364 676 HB VAL 87 HB VAL 87 6.407 -4.807 2.268 677 1HG1 VAL 87 1HG1 VAL 87 8.134 -6.948 3.501 678 2HG1 VAL 87 2HG1 VAL 87 6.520 -6.523 4.068 679 3HG1 VAL 87 3HG1 VAL 87 7.820 -5.333 4.135 680 1HG2 VAL 87 1HG2 VAL 87 8.435 -4.212 1.480 681 2HG2 VAL 87 2HG2 VAL 87 8.160 -5.544 0.356 682 3HG2 VAL 87 3HG2 VAL 87 9.142 -5.795 1.800 683 H VAL 88 H VAL 88 4.972 -8.952 1.461 684 HA VAL 88 HA VAL 88 2.491 -8.079 2.433 685 HB VAL 88 HB VAL 88 2.639 -10.174 1.256 686 1HG1 VAL 88 1HG1 VAL 88 4.475 -11.405 1.578 687 2HG1 VAL 88 2HG1 VAL 88 3.678 -12.038 3.019 688 3HG1 VAL 88 3HG1 VAL 88 4.788 -10.675 3.152 689 1HG2 VAL 88 1HG2 VAL 88 1.953 -11.235 3.922 690 2HG2 VAL 88 2HG2 VAL 88 1.017 -11.219 2.427 691 3HG2 VAL 88 3HG2 VAL 88 1.106 -9.769 3.429 692 H GLY 89 H GLY 89 2.959 -6.734 4.224 693 1HA GLY 89 1HA GLY 89 2.372 -7.196 6.657 694 2HA GLY 89 2HA GLY 89 3.837 -8.165 6.650 695 H ALA 90 H ALA 90 2.535 -5.123 7.235 696 HA ALA 90 HA ALA 90 4.891 -3.553 6.713 697 1HB ALA 90 1HB ALA 90 3.614 -1.755 7.206 698 2HB ALA 90 2HB ALA 90 2.866 -2.530 8.603 699 3HB ALA 90 3HB ALA 90 2.297 -2.906 6.977 700 H ASN 91 H ASN 91 6.023 -5.437 8.035 701 HA ASN 91 HA ASN 91 5.946 -5.383 10.842 702 1HB ASN 91 1HB ASN 91 6.960 -7.223 9.559 703 2HB ASN 91 2HB ASN 91 8.235 -6.141 9.010 704 1HD2 ASN 91 1HD2 ASN 91 10.058 -6.305 10.075 705 2HD2 ASN 91 2HD2 ASN 91 10.243 -6.808 11.717 706 HA PRO 92 HA PRO 92 7.677 -1.449 11.955 707 1HB PRO 92 1HB PRO 92 9.121 -3.193 13.922 708 2HB PRO 92 2HB PRO 92 8.318 -1.638 14.182 709 1HG PRO 92 1HG PRO 92 7.093 -3.875 14.882 710 2HG PRO 92 2HG PRO 92 6.189 -2.574 14.084 711 1HD PRO 92 1HD PRO 92 7.114 -5.182 12.986 712 2HD PRO 92 2HD PRO 92 5.665 -4.238 12.588 713 H ALA 93 H ALA 93 9.658 -4.282 11.341 714 HA ALA 93 HA ALA 93 11.913 -2.513 10.668 715 1HB ALA 93 1HB ALA 93 12.185 -4.232 12.542 716 2HB ALA 93 2HB ALA 93 13.428 -4.178 11.294 717 3HB ALA 93 3HB ALA 93 12.197 -5.440 11.256 718 H ALA 94 H ALA 94 10.129 -2.606 8.702 719 HA ALA 94 HA ALA 94 11.567 -3.802 6.574 720 1HB ALA 94 1HB ALA 94 10.438 -5.821 7.403 721 2HB ALA 94 2HB ALA 94 9.909 -5.389 5.777 722 3HB ALA 94 3HB ALA 94 8.879 -5.031 7.162 723 H ILE 95 H ILE 95 8.224 -2.830 7.345 724 HA ILE 95 HA ILE 95 7.598 -1.739 4.878 725 HB ILE 95 HB ILE 95 5.878 -2.078 6.489 726 1HG1 ILE 95 1HG1 ILE 95 4.677 0.010 6.453 727 2HG1 ILE 95 2HG1 ILE 95 6.165 0.918 6.211 728 1HG2 ILE 95 1HG2 ILE 95 7.639 -0.468 8.230 729 2HG2 ILE 95 2HG2 ILE 95 6.662 -1.888 8.602 730 3HG2 ILE 95 3HG2 ILE 95 5.900 -0.302 8.472 731 1HD1 ILE 95 1HD1 ILE 95 5.574 0.880 4.061 732 2HD1 ILE 95 2HD1 ILE 95 4.465 -0.470 4.289 733 3HD1 ILE 95 3HD1 ILE 95 6.188 -0.771 4.076 734 H LYS 96 H LYS 96 9.994 -0.673 7.008 735 HA LYS 96 HA LYS 96 9.782 2.124 6.189 736 1HB LYS 96 1HB LYS 96 11.518 2.594 7.777 737 2HB LYS 96 2HB LYS 96 10.342 1.546 8.554 738 1HG LYS 96 1HG LYS 96 11.819 -0.375 8.164 739 2HG LYS 96 2HG LYS 96 13.008 0.706 7.434 740 1HD LYS 96 1HD LYS 96 13.033 1.985 9.590 741 2HD LYS 96 2HD LYS 96 12.033 0.706 10.286 742 1HE LYS 96 1HE LYS 96 14.785 0.366 9.098 743 2HE LYS 96 2HE LYS 96 14.392 0.372 10.816 744 1HZ LYS 96 1HZ LYS 96 14.543 -1.829 9.269 745 2HZ LYS 96 2HZ LYS 96 12.878 -1.535 9.273 746 3HZ LYS 96 3HZ LYS 96 13.704 -1.737 10.735 747 H GLN 97 H GLN 97 12.128 -0.535 6.025 748 HA GLN 97 HA GLN 97 13.936 0.855 4.333 749 1HB GLN 97 1HB GLN 97 13.639 -2.112 4.827 750 2HB GLN 97 2HB GLN 97 15.014 -1.343 4.045 751 1HG GLN 97 1HG GLN 97 15.510 -0.132 6.105 752 2HG GLN 97 2HG GLN 97 14.130 -0.900 6.888 753 1HE2 GLN 97 1HE2 GLN 97 17.367 -1.005 6.629 754 2HE2 GLN 97 2HE2 GLN 97 17.652 -2.669 6.995 755 H ALA 98 H ALA 98 11.178 -1.225 3.795 756 HA ALA 98 HA ALA 98 11.612 -1.872 1.100 757 1HB ALA 98 1HB ALA 98 9.267 -2.377 0.982 758 2HB ALA 98 2HB ALA 98 8.936 -1.388 2.405 759 3HB ALA 98 3HB ALA 98 9.866 -2.877 2.563 760 H ILE 99 H ILE 99 10.232 0.962 2.626 761 HA ILE 99 HA ILE 99 9.597 2.207 0.082 762 HB ILE 99 HB ILE 99 9.204 3.068 2.950 763 1HG1 ILE 99 1HG1 ILE 99 6.838 2.803 2.429 764 2HG1 ILE 99 2HG1 ILE 99 7.224 2.410 0.759 765 1HG2 ILE 99 1HG2 ILE 99 7.869 4.958 1.966 766 2HG2 ILE 99 2HG2 ILE 99 8.607 4.577 0.410 767 3HG2 ILE 99 3HG2 ILE 99 9.616 5.089 1.762 768 1HD1 ILE 99 1HD1 ILE 99 7.961 0.304 1.287 769 2HD1 ILE 99 2HD1 ILE 99 6.652 0.530 2.445 770 3HD1 ILE 99 3HD1 ILE 99 8.325 0.733 2.956 771 H ALA 100 H ALA 100 12.297 1.947 2.056 772 HA ALA 100 HA ALA 100 13.321 4.613 1.506 773 1HB ALA 100 1HB ALA 100 13.660 3.002 3.638 774 2HB ALA 100 2HB ALA 100 14.795 4.273 3.181 775 3HB ALA 100 3HB ALA 100 15.107 2.601 2.712 776 H ALA 101 H ALA 101 14.577 1.304 1.059 777 HA ALA 101 HA ALA 101 16.601 1.946 -0.735 778 1HB ALA 101 1HB ALA 101 16.418 -0.464 -1.447 779 2HB ALA 101 2HB ALA 101 15.030 -0.594 -0.367 780 3HB ALA 101 3HB ALA 101 16.620 -0.194 0.284 781 H ASN 102 H ASN 102 13.174 1.552 -1.257 782 HA ASN 102 HA ASN 102 13.424 1.411 -4.124 783 1HB ASN 102 1HB ASN 102 11.062 1.615 -2.255 784 2HB ASN 102 2HB ASN 102 10.920 1.532 -4.009 785 1HD2 ASN 102 1HD2 ASN 102 13.549 -0.309 -3.260 786 2HD2 ASN 102 2HD2 ASN 102 12.784 -1.847 -3.114 787 H ALA 103 H ALA 103 11.721 3.657 -1.934 788 HA ALA 103 HA ALA 103 11.775 5.721 -3.967 789 1HB ALA 103 1HB ALA 103 10.707 5.851 -1.150 790 2HB ALA 103 2HB ALA 103 9.778 5.358 -2.564 791 3HB ALA 103 3HB ALA 103 10.400 7.003 -2.449 Start of MODEL 5 1 1H MET 1 1H MET 1 -0.179 12.752 3.760 2 2H MET 1 2H MET 1 -1.115 14.178 3.566 3 3H MET 1 3H MET 1 -0.947 13.075 2.262 4 HA MET 1 HA MET 1 -2.212 12.431 4.837 5 1HB MET 1 1HB MET 1 -4.334 12.667 3.594 6 2HB MET 1 2HB MET 1 -3.458 14.187 3.708 7 1HG MET 1 1HG MET 1 -2.635 13.874 1.423 8 2HG MET 1 2HG MET 1 -3.542 12.367 1.313 9 1HE MET 1 1HE MET 1 -3.773 15.807 2.577 10 2HE MET 1 2HE MET 1 -5.517 16.022 2.730 11 3HE MET 1 3HE MET 1 -4.676 16.628 1.304 12 H VAL 2 H VAL 2 -3.764 10.569 4.432 13 HA VAL 2 HA VAL 2 -2.694 8.682 2.447 14 HB VAL 2 HB VAL 2 -1.697 8.219 4.675 15 1HG1 VAL 2 1HG1 VAL 2 -4.576 7.943 5.461 16 2HG1 VAL 2 2HG1 VAL 2 -3.292 8.864 6.244 17 3HG1 VAL 2 3HG1 VAL 2 -3.297 7.103 6.337 18 1HG2 VAL 2 1HG2 VAL 2 -1.619 6.289 3.514 19 2HG2 VAL 2 2HG2 VAL 2 -3.347 6.298 3.160 20 3HG2 VAL 2 3HG2 VAL 2 -2.773 5.774 4.742 21 H THR 3 H THR 3 -4.198 7.235 1.576 22 HA THR 3 HA THR 3 -6.914 7.236 2.624 23 HB THR 3 HB THR 3 -6.253 8.216 -0.157 24 HG1 THR 3 HG1 THR 3 -7.406 9.473 2.102 25 1HG2 THR 3 1HG2 THR 3 -8.736 8.684 -0.243 26 2HG2 THR 3 2HG2 THR 3 -8.891 7.548 1.097 27 3HG2 THR 3 3HG2 THR 3 -8.233 7.006 -0.447 28 H GLN 4 H GLN 4 -8.326 5.699 1.533 29 HA GLN 4 HA GLN 4 -6.872 3.288 0.740 30 1HB GLN 4 1HB GLN 4 -9.844 3.627 1.189 31 2HB GLN 4 2HB GLN 4 -8.933 2.124 1.164 32 1HG GLN 4 1HG GLN 4 -7.866 2.662 3.231 33 2HG GLN 4 2HG GLN 4 -8.556 4.282 3.225 34 1HE2 GLN 4 1HE2 GLN 4 -8.809 1.367 4.617 35 2HE2 GLN 4 2HE2 GLN 4 -10.482 1.369 5.046 36 H PHE 5 H PHE 5 -8.657 1.975 -0.837 37 HA PHE 5 HA PHE 5 -9.270 3.773 -3.067 38 1HB PHE 5 1HB PHE 5 -7.676 1.219 -3.252 39 2HB PHE 5 2HB PHE 5 -8.458 1.968 -4.651 40 HD1 PHE 5 HD1 PHE 5 -7.935 4.857 -3.841 41 HD2 PHE 5 HD2 PHE 5 -5.435 1.410 -3.950 42 HE1 PHE 5 HE1 PHE 5 -5.975 6.297 -4.205 43 HE2 PHE 5 HE2 PHE 5 -3.475 2.851 -4.318 44 HZ PHE 5 HZ PHE 5 -3.742 5.292 -4.444 45 H LYS 6 H LYS 6 -11.278 3.582 -3.679 46 HA LYS 6 HA LYS 6 -12.713 1.068 -3.138 47 1HB LYS 6 1HB LYS 6 -13.777 3.882 -3.463 48 2HB LYS 6 2HB LYS 6 -14.773 2.455 -3.221 49 1HG LYS 6 1HG LYS 6 -12.673 3.378 -1.275 50 2HG LYS 6 2HG LYS 6 -14.376 3.823 -1.172 51 1HD LYS 6 1HD LYS 6 -13.654 0.937 -1.376 52 2HD LYS 6 2HD LYS 6 -13.424 1.764 0.165 53 1HE LYS 6 1HE LYS 6 -15.609 0.673 0.049 54 2HE LYS 6 2HE LYS 6 -15.767 2.424 0.179 55 1HZ LYS 6 1HZ LYS 6 -15.864 1.020 -2.423 56 2HZ LYS 6 2HZ LYS 6 -16.362 2.595 -2.069 57 3HZ LYS 6 3HZ LYS 6 -17.247 1.277 -1.486 58 H THR 7 H THR 7 -11.516 3.101 -5.594 59 HA THR 7 HA THR 7 -12.858 1.466 -7.615 60 HB THR 7 HB THR 7 -13.247 3.463 -9.025 61 HG1 THR 7 HG1 THR 7 -12.390 5.271 -8.461 62 1HG2 THR 7 1HG2 THR 7 -14.605 4.142 -6.474 63 2HG2 THR 7 2HG2 THR 7 -14.936 2.581 -7.228 64 3HG2 THR 7 3HG2 THR 7 -15.244 4.074 -8.116 65 H ALA 8 H ALA 8 -11.421 0.656 -9.000 66 HA ALA 8 HA ALA 8 -8.701 1.006 -8.819 67 1HB ALA 8 1HB ALA 8 -10.235 0.205 -11.289 68 2HB ALA 8 2HB ALA 8 -9.747 -0.876 -9.982 69 3HB ALA 8 3HB ALA 8 -8.524 -0.097 -10.986 70 H SER 9 H SER 9 -10.996 3.004 -10.471 71 HA SER 9 HA SER 9 -9.305 4.298 -12.286 72 1HB SER 9 1HB SER 9 -11.676 5.430 -10.775 73 2HB SER 9 2HB SER 9 -10.941 6.147 -12.210 74 HG SER 9 HG SER 9 -11.435 4.042 -13.230 75 H GLU 10 H GLU 10 -9.434 4.415 -8.856 76 HA GLU 10 HA GLU 10 -8.038 6.941 -8.693 77 1HB GLU 10 1HB GLU 10 -8.928 5.042 -6.529 78 2HB GLU 10 2HB GLU 10 -8.175 6.604 -6.245 79 1HG GLU 10 1HG GLU 10 -10.051 7.718 -7.321 80 2HG GLU 10 2HG GLU 10 -10.803 6.157 -7.641 81 H PHE 11 H PHE 11 -7.476 3.544 -8.167 82 HA PHE 11 HA PHE 11 -4.761 3.946 -7.303 83 1HB PHE 11 1HB PHE 11 -6.299 2.113 -6.456 84 2HB PHE 11 2HB PHE 11 -6.075 1.326 -8.011 85 HD1 PHE 11 HD1 PHE 11 -5.393 -0.437 -6.128 86 HD2 PHE 11 HD2 PHE 11 -3.070 2.937 -7.289 87 HE1 PHE 11 HE1 PHE 11 -3.367 -1.530 -5.258 88 HE2 PHE 11 HE2 PHE 11 -1.047 1.843 -6.428 89 HZ PHE 11 HZ PHE 11 -1.198 -0.389 -5.412 90 H ASP 12 H ASP 12 -6.106 4.241 -10.232 91 HA ASP 12 HA ASP 12 -4.149 2.707 -11.741 92 1HB ASP 12 1HB ASP 12 -6.463 2.791 -12.555 93 2HB ASP 12 2HB ASP 12 -6.365 4.545 -12.678 94 H SER 13 H SER 13 -4.818 5.998 -10.786 95 HA SER 13 HA SER 13 -2.720 7.065 -12.495 96 1HB SER 13 1HB SER 13 -3.400 9.254 -11.570 97 2HB SER 13 2HB SER 13 -4.771 8.372 -12.240 98 HG SER 13 HG SER 13 -5.407 7.834 -10.166 99 H ALA 14 H ALA 14 -3.357 6.432 -9.100 100 HA ALA 14 HA ALA 14 -1.353 7.763 -7.815 101 1HB ALA 14 1HB ALA 14 -2.466 5.019 -7.307 102 2HB ALA 14 2HB ALA 14 -2.886 6.537 -6.512 103 3HB ALA 14 3HB ALA 14 -1.312 5.794 -6.221 104 H ILE 15 H ILE 15 -1.060 4.729 -9.613 105 HA ILE 15 HA ILE 15 1.773 4.539 -9.012 106 HB ILE 15 HB ILE 15 1.749 2.500 -10.374 107 1HG1 ILE 15 1HG1 ILE 15 -1.181 3.162 -10.763 108 2HG1 ILE 15 2HG1 ILE 15 0.052 3.056 -12.017 109 1HG2 ILE 15 1HG2 ILE 15 0.357 2.966 -7.926 110 2HG2 ILE 15 2HG2 ILE 15 1.265 1.543 -8.438 111 3HG2 ILE 15 3HG2 ILE 15 -0.452 1.676 -8.817 112 1HD1 ILE 15 1HD1 ILE 15 -1.618 1.008 -10.970 113 2HD1 ILE 15 2HD1 ILE 15 0.067 0.596 -10.649 114 3HD1 ILE 15 3HD1 ILE 15 -0.461 0.931 -12.299 115 H ALA 16 H ALA 16 -0.222 4.938 -11.939 116 HA ALA 16 HA ALA 16 1.667 5.094 -13.871 117 1HB ALA 16 1HB ALA 16 -0.830 6.732 -13.545 118 2HB ALA 16 2HB ALA 16 -0.600 5.265 -14.496 119 3HB ALA 16 3HB ALA 16 0.160 6.774 -15.004 120 H GLN 17 H GLN 17 3.622 5.977 -13.436 121 HA GLN 17 HA GLN 17 5.221 7.538 -12.945 122 1HB GLN 17 1HB GLN 17 3.300 9.231 -14.552 123 2HB GLN 17 2HB GLN 17 4.987 9.623 -14.245 124 1HG GLN 17 1HG GLN 17 5.676 7.618 -15.458 125 2HG GLN 17 2HG GLN 17 3.981 7.227 -15.768 126 1HE2 GLN 17 1HE2 GLN 17 6.654 8.494 -17.120 127 2HE2 GLN 17 2HE2 GLN 17 5.938 9.527 -18.305 128 H ASP 18 H ASP 18 4.934 7.668 -10.680 129 HA ASP 18 HA ASP 18 4.356 10.274 -9.745 130 1HB ASP 18 1HB ASP 18 2.039 9.442 -10.012 131 2HB ASP 18 2HB ASP 18 2.404 8.121 -8.907 132 H LYS 19 H LYS 19 6.576 8.567 -9.561 133 HA LYS 19 HA LYS 19 8.159 7.966 -8.029 134 1HB LYS 19 1HB LYS 19 6.188 9.220 -6.133 135 2HB LYS 19 2HB LYS 19 7.810 8.732 -5.676 136 1HG LYS 19 1HG LYS 19 8.796 10.358 -7.074 137 2HG LYS 19 2HG LYS 19 7.257 10.710 -7.867 138 1HD LYS 19 1HD LYS 19 6.391 11.580 -5.732 139 2HD LYS 19 2HD LYS 19 7.956 11.262 -4.984 140 1HE LYS 19 1HE LYS 19 9.019 12.812 -6.546 141 2HE LYS 19 2HE LYS 19 7.456 13.127 -7.300 142 1HZ LYS 19 1HZ LYS 19 6.681 14.208 -5.393 143 2HZ LYS 19 2HZ LYS 19 8.259 14.786 -5.588 144 3HZ LYS 19 3HZ LYS 19 7.929 13.608 -4.420 145 H LEU 20 H LEU 20 7.723 6.989 -5.373 146 HA LEU 20 HA LEU 20 6.659 4.361 -6.067 147 1HB LEU 20 1HB LEU 20 8.920 4.427 -5.180 148 2HB LEU 20 2HB LEU 20 8.357 5.295 -3.751 149 HG LEU 20 HG LEU 20 6.994 3.300 -3.143 150 1HD1 LEU 20 1HD1 LEU 20 8.260 1.255 -4.517 151 2HD1 LEU 20 2HD1 LEU 20 7.875 2.446 -5.760 152 3HD1 LEU 20 3HD1 LEU 20 6.598 1.802 -4.729 153 1HD2 LEU 20 1HD2 LEU 20 9.074 3.585 -2.032 154 2HD2 LEU 20 2HD2 LEU 20 9.976 3.003 -3.432 155 3HD2 LEU 20 3HD2 LEU 20 8.974 1.889 -2.502 156 H VAL 21 H VAL 21 4.641 3.954 -5.544 157 HA VAL 21 HA VAL 21 3.426 5.310 -3.244 158 HB VAL 21 HB VAL 21 2.083 3.806 -5.497 159 1HG1 VAL 21 1HG1 VAL 21 0.803 5.647 -3.493 160 2HG1 VAL 21 2HG1 VAL 21 0.881 3.899 -3.278 161 3HG1 VAL 21 3HG1 VAL 21 0.014 4.580 -4.652 162 1HG2 VAL 21 1HG2 VAL 21 1.325 6.415 -5.733 163 2HG2 VAL 21 2HG2 VAL 21 2.603 5.643 -6.674 164 3HG2 VAL 21 3HG2 VAL 21 3.008 6.571 -5.229 165 H VAL 22 H VAL 22 2.794 4.219 -1.482 166 HA VAL 22 HA VAL 22 3.209 1.311 -1.456 167 HB VAL 22 HB VAL 22 2.912 3.180 0.898 168 1HG1 VAL 22 1HG1 VAL 22 4.288 0.607 1.216 169 2HG1 VAL 22 2HG1 VAL 22 2.565 0.486 0.859 170 3HG1 VAL 22 3HG1 VAL 22 3.111 1.405 2.262 171 1HG2 VAL 22 1HG2 VAL 22 5.466 1.954 -0.112 172 2HG2 VAL 22 2HG2 VAL 22 5.266 3.197 1.123 173 3HG2 VAL 22 3HG2 VAL 22 4.931 3.572 -0.567 174 H VAL 23 H VAL 23 1.376 0.247 -1.912 175 HA VAL 23 HA VAL 23 -1.115 1.197 -0.662 176 HB VAL 23 HB VAL 23 -0.878 -0.538 -3.123 177 1HG1 VAL 23 1HG1 VAL 23 -3.189 0.715 -1.672 178 2HG1 VAL 23 2HG1 VAL 23 -2.953 -0.972 -2.125 179 3HG1 VAL 23 3HG1 VAL 23 -3.299 0.233 -3.364 180 1HG2 VAL 23 1HG2 VAL 23 -0.258 1.372 -4.125 181 2HG2 VAL 23 2HG2 VAL 23 -0.771 2.368 -2.764 182 3HG2 VAL 23 3HG2 VAL 23 -1.952 1.823 -3.952 183 H ASP 24 H ASP 24 -2.034 -0.042 0.808 184 HA ASP 24 HA ASP 24 -1.015 -2.756 1.209 185 1HB ASP 24 1HB ASP 24 -0.888 -1.232 3.128 186 2HB ASP 24 2HB ASP 24 -2.635 -0.965 3.039 187 H PHE 25 H PHE 25 -2.248 -4.503 0.803 188 HA PHE 25 HA PHE 25 -5.018 -4.086 -0.022 189 1HB PHE 25 1HB PHE 25 -2.989 -6.276 -0.448 190 2HB PHE 25 2HB PHE 25 -4.695 -6.510 -0.818 191 HD1 PHE 25 HD1 PHE 25 -2.209 -3.776 -1.460 192 HD2 PHE 25 HD2 PHE 25 -5.127 -6.448 -3.017 193 HE1 PHE 25 HE1 PHE 25 -1.804 -2.880 -3.720 194 HE2 PHE 25 HE2 PHE 25 -4.753 -5.545 -5.270 195 HZ PHE 25 HZ PHE 25 -3.097 -3.755 -5.628 196 H TYR 26 H TYR 26 -4.869 -3.824 2.609 197 HA TYR 26 HA TYR 26 -4.941 -6.101 4.205 198 1HB TYR 26 1HB TYR 26 -6.414 -4.636 5.710 199 2HB TYR 26 2HB TYR 26 -4.806 -4.033 5.326 200 HD1 TYR 26 HD1 TYR 26 -8.198 -3.893 3.743 201 HD2 TYR 26 HD2 TYR 26 -4.723 -1.751 4.938 202 HE1 TYR 26 HE1 TYR 26 -9.183 -1.829 2.880 203 HE2 TYR 26 HE2 TYR 26 -5.712 0.325 4.120 204 HH TYR 26 HH TYR 26 -8.360 0.406 2.066 205 H ALA 27 H ALA 27 -6.486 -7.586 4.727 206 HA ALA 27 HA ALA 27 -8.572 -8.071 2.907 207 1HB ALA 27 1HB ALA 27 -7.893 -9.173 5.602 208 2HB ALA 27 2HB ALA 27 -7.915 -9.979 4.033 209 3HB ALA 27 3HB ALA 27 -9.428 -9.585 4.842 210 H THR 28 H THR 28 -10.773 -7.713 3.017 211 HA THR 28 HA THR 28 -11.589 -5.349 4.275 212 HB THR 28 HB THR 28 -12.681 -6.079 2.275 213 HG1 THR 28 HG1 THR 28 -13.958 -4.954 3.866 214 1HG2 THR 28 1HG2 THR 28 -13.603 -8.474 3.845 215 2HG2 THR 28 2HG2 THR 28 -12.541 -8.466 2.437 216 3HG2 THR 28 3HG2 THR 28 -14.233 -7.999 2.268 217 H TRP 29 H TRP 29 -11.224 -8.474 5.501 218 HA TRP 29 HA TRP 29 -13.041 -7.954 7.750 219 1HB TRP 29 1HB TRP 29 -12.800 -10.468 8.143 220 2HB TRP 29 2HB TRP 29 -13.670 -9.988 6.681 221 HD1 TRP 29 HD1 TRP 29 -12.157 -10.075 4.343 222 HE1 TRP 29 HE1 TRP 29 -10.355 -11.771 3.646 223 HE3 TRP 29 HE3 TRP 29 -11.038 -12.034 8.944 224 HZ2 TRP 29 HZ2 TRP 29 -8.679 -13.671 4.875 225 HZ3 TRP 29 HZ3 TRP 29 -9.318 -13.776 9.089 226 HH2 TRP 29 HH2 TRP 29 -8.164 -14.574 7.096 227 H CYS 30 H CYS 30 -11.274 -10.360 8.885 228 HA CYS 30 HA CYS 30 -9.616 -10.630 10.376 229 1HB CYS 30 1HB CYS 30 -8.135 -10.115 8.540 230 2HB CYS 30 2HB CYS 30 -8.415 -8.391 8.762 231 HG CYS 30 HG CYS 30 -6.161 -9.692 9.933 232 H GLY 31 H GLY 31 -9.220 -7.128 9.998 233 1HA GLY 31 1HA GLY 31 -10.478 -5.677 11.620 234 2HA GLY 31 2HA GLY 31 -9.975 -6.841 12.839 235 HA PRO 32 HA PRO 32 -6.229 -4.774 13.881 236 1HB PRO 32 1HB PRO 32 -4.767 -7.122 12.738 237 2HB PRO 32 2HB PRO 32 -4.541 -6.304 14.288 238 1HG PRO 32 1HG PRO 32 -5.832 -8.632 14.153 239 2HG PRO 32 2HG PRO 32 -6.361 -7.355 15.262 240 1HD PRO 32 1HD PRO 32 -7.585 -8.278 12.720 241 2HD PRO 32 2HD PRO 32 -8.352 -7.565 14.152 242 H CYS 33 H CYS 33 -6.441 -6.278 10.702 243 HA CYS 33 HA CYS 33 -4.306 -5.040 9.416 244 1HB CYS 33 1HB CYS 33 -7.014 -5.883 8.365 245 2HB CYS 33 2HB CYS 33 -5.708 -5.302 7.325 246 HG CYS 33 HG CYS 33 -5.933 -8.036 7.753 247 H LYS 34 H LYS 34 -7.538 -3.847 10.136 248 HA LYS 34 HA LYS 34 -7.328 -1.463 8.590 249 1HB LYS 34 1HB LYS 34 -9.142 -2.119 10.918 250 2HB LYS 34 2HB LYS 34 -9.328 -0.738 9.846 251 1HG LYS 34 1HG LYS 34 -9.667 -2.256 7.957 252 2HG LYS 34 2HG LYS 34 -9.501 -3.636 9.044 253 1HD LYS 34 1HD LYS 34 -11.618 -1.493 9.216 254 2HD LYS 34 2HD LYS 34 -11.853 -3.128 8.596 255 1HE LYS 34 1HE LYS 34 -11.244 -4.033 10.797 256 2HE LYS 34 2HE LYS 34 -11.046 -2.391 11.410 257 1HZ LYS 34 1HZ LYS 34 -13.451 -3.914 10.987 258 2HZ LYS 34 2HZ LYS 34 -13.535 -2.347 10.357 259 3HZ LYS 34 3HZ LYS 34 -13.176 -2.581 11.993 260 H MET 35 H MET 35 -6.031 -2.413 11.598 261 HA MET 35 HA MET 35 -5.872 0.192 12.778 262 1HB MET 35 1HB MET 35 -5.877 -1.904 14.107 263 2HB MET 35 2HB MET 35 -4.317 -2.322 13.421 264 1HG MET 35 1HG MET 35 -3.902 -1.474 15.575 265 2HG MET 35 2HG MET 35 -3.416 -0.215 14.448 266 1HE MET 35 1HE MET 35 -4.777 1.573 13.702 267 2HE MET 35 2HE MET 35 -5.411 2.667 14.931 268 3HE MET 35 3HE MET 35 -6.511 1.627 14.026 269 H ILE 36 H ILE 36 -4.410 -1.058 10.131 270 HA ILE 36 HA ILE 36 -1.747 -0.001 10.558 271 HB ILE 36 HB ILE 36 -3.055 -1.331 8.188 272 1HG1 ILE 36 1HG1 ILE 36 -0.927 -2.265 10.125 273 2HG1 ILE 36 2HG1 ILE 36 -2.603 -2.805 10.092 274 1HG2 ILE 36 1HG2 ILE 36 -0.421 -1.462 7.636 275 2HG2 ILE 36 2HG2 ILE 36 -0.510 0.119 8.414 276 3HG2 ILE 36 3HG2 ILE 36 -1.508 -0.226 7.002 277 1HD1 ILE 36 1HD1 ILE 36 -0.919 -4.355 9.061 278 2HD1 ILE 36 2HD1 ILE 36 -0.728 -3.162 7.777 279 3HD1 ILE 36 3HD1 ILE 36 -2.293 -3.929 8.041 280 H ALA 37 H ALA 37 -4.732 1.202 9.493 281 HA ALA 37 HA ALA 37 -4.007 2.942 7.441 282 1HB ALA 37 1HB ALA 37 -6.291 2.518 9.132 283 2HB ALA 37 2HB ALA 37 -6.212 3.184 7.501 284 3HB ALA 37 3HB ALA 37 -6.012 4.243 8.896 285 HA PRO 38 HA PRO 38 -3.089 6.262 10.803 286 1HB PRO 38 1HB PRO 38 -2.280 5.360 13.242 287 2HB PRO 38 2HB PRO 38 -3.963 5.755 12.862 288 1HG PRO 38 1HG PRO 38 -2.630 3.100 13.045 289 2HG PRO 38 2HG PRO 38 -4.276 3.569 13.496 290 1HD PRO 38 1HD PRO 38 -3.611 2.234 11.191 291 2HD PRO 38 2HD PRO 38 -5.074 3.204 11.387 292 H MET 39 H MET 39 -1.321 3.196 11.108 293 HA MET 39 HA MET 39 1.223 4.300 11.492 294 1HB MET 39 1HB MET 39 0.286 1.680 10.342 295 2HB MET 39 2HB MET 39 1.957 2.049 10.642 296 1HG MET 39 1HG MET 39 1.475 2.323 12.987 297 2HG MET 39 2HG MET 39 -0.219 1.965 12.694 298 1HE MET 39 1HE MET 39 3.179 -1.092 12.036 299 2HE MET 39 2HE MET 39 3.457 0.524 12.686 300 3HE MET 39 3HE MET 39 2.916 0.326 11.019 301 H ILE 40 H ILE 40 -0.301 2.955 8.561 302 HA ILE 40 HA ILE 40 1.603 3.534 6.681 303 HB ILE 40 HB ILE 40 -1.407 3.682 6.443 304 1HG1 ILE 40 1HG1 ILE 40 0.596 1.584 5.584 305 2HG1 ILE 40 2HG1 ILE 40 -0.484 1.477 6.968 306 1HG2 ILE 40 1HG2 ILE 40 -0.653 5.018 4.651 307 2HG2 ILE 40 2HG2 ILE 40 -0.938 3.425 3.952 308 3HG2 ILE 40 3HG2 ILE 40 0.707 3.946 4.315 309 1HD1 ILE 40 1HD1 ILE 40 -1.064 0.329 4.674 310 2HD1 ILE 40 2HD1 ILE 40 -1.682 1.934 4.290 311 3HD1 ILE 40 3HD1 ILE 40 -2.320 1.053 5.678 312 H GLU 41 H GLU 41 -0.515 5.749 8.335 313 HA GLU 41 HA GLU 41 -0.050 7.954 6.550 314 1HB GLU 41 1HB GLU 41 -2.145 7.769 7.782 315 2HB GLU 41 2HB GLU 41 -1.278 7.844 9.310 316 1HG GLU 41 1HG GLU 41 -0.549 10.117 8.777 317 2HG GLU 41 2HG GLU 41 -1.430 10.040 7.252 318 H LYS 42 H LYS 42 1.385 6.728 9.485 319 HA LYS 42 HA LYS 42 2.794 9.123 10.144 320 1HB LYS 42 1HB LYS 42 3.183 6.269 11.049 321 2HB LYS 42 2HB LYS 42 4.055 7.645 11.712 322 1HG LYS 42 1HG LYS 42 1.937 8.627 12.449 323 2HG LYS 42 2HG LYS 42 1.074 7.233 11.799 324 1HD LYS 42 1HD LYS 42 1.392 7.008 14.204 325 2HD LYS 42 2HD LYS 42 2.296 5.766 13.334 326 1HE LYS 42 1HE LYS 42 4.341 7.076 13.577 327 2HE LYS 42 2HE LYS 42 3.442 8.337 14.420 328 1HZ LYS 42 1HZ LYS 42 4.640 6.843 15.931 329 2HZ LYS 42 2HZ LYS 42 3.721 5.537 15.370 330 3HZ LYS 42 3HZ LYS 42 2.968 6.808 16.195 331 H PHE 43 H PHE 43 3.327 6.684 7.818 332 HA PHE 43 HA PHE 43 6.203 7.103 7.754 333 1HB PHE 43 1HB PHE 43 4.389 5.324 6.129 334 2HB PHE 43 2HB PHE 43 6.122 5.453 5.855 335 HD1 PHE 43 HD1 PHE 43 3.856 4.982 8.785 336 HD2 PHE 43 HD2 PHE 43 7.363 3.743 6.722 337 HE1 PHE 43 HE1 PHE 43 4.248 3.259 10.499 338 HE2 PHE 43 HE2 PHE 43 7.764 2.017 8.429 339 HZ PHE 43 HZ PHE 43 6.206 1.773 10.321 340 H SER 44 H SER 44 3.398 8.336 6.224 341 HA SER 44 HA SER 44 4.541 9.088 3.748 342 1HB SER 44 1HB SER 44 2.591 10.600 3.545 343 2HB SER 44 2HB SER 44 2.121 8.968 4.048 344 HG SER 44 HG SER 44 2.508 11.165 5.808 345 H GLU 45 H GLU 45 5.190 10.250 6.843 346 HA GLU 45 HA GLU 45 5.747 12.970 5.971 347 1HB GLU 45 1HB GLU 45 6.345 13.401 8.291 348 2HB GLU 45 2HB GLU 45 4.780 12.605 8.200 349 1HG GLU 45 1HG GLU 45 5.842 10.476 8.760 350 2HG GLU 45 2HG GLU 45 7.399 11.289 8.879 351 H GLN 46 H GLN 46 7.412 9.978 6.518 352 HA GLN 46 HA GLN 46 10.027 11.248 6.482 353 1HB GLN 46 1HB GLN 46 9.237 8.339 6.658 354 2HB GLN 46 2HB GLN 46 10.886 8.943 6.758 355 1HG GLN 46 1HG GLN 46 10.308 10.207 8.755 356 2HG GLN 46 2HG GLN 46 8.652 9.614 8.655 357 1HE2 GLN 46 1HE2 GLN 46 8.235 8.039 10.008 358 2HE2 GLN 46 2HE2 GLN 46 9.357 6.819 10.547 359 H TYR 47 H TYR 47 7.886 9.519 4.340 360 HA TYR 47 HA TYR 47 9.922 9.756 2.222 361 1HB TYR 47 1HB TYR 47 7.840 7.595 2.579 362 2HB TYR 47 2HB TYR 47 8.873 7.766 1.162 363 HD1 TYR 47 HD1 TYR 47 11.423 7.693 1.563 364 HD2 TYR 47 HD2 TYR 47 8.556 6.353 4.401 365 HE1 TYR 47 HE1 TYR 47 13.162 6.353 2.672 366 HE2 TYR 47 HE2 TYR 47 10.286 4.997 5.517 367 HH TYR 47 HH TYR 47 12.471 3.949 4.924 368 HA PRO 48 HA PRO 48 5.797 12.300 1.666 369 1HB PRO 48 1HB PRO 48 8.062 14.018 0.740 370 2HB PRO 48 2HB PRO 48 6.538 14.490 1.501 371 1HG PRO 48 1HG PRO 48 8.839 14.338 2.891 372 2HG PRO 48 2HG PRO 48 7.269 13.953 3.615 373 1HD PRO 48 1HD PRO 48 9.496 12.160 2.935 374 2HD PRO 48 2HD PRO 48 8.108 11.881 4.007 375 H GLN 49 H GLN 49 8.677 11.801 -0.300 376 HA GLN 49 HA GLN 49 7.572 12.389 -2.803 377 1HB GLN 49 1HB GLN 49 9.758 10.406 -2.139 378 2HB GLN 49 2HB GLN 49 9.408 11.029 -3.748 379 1HG GLN 49 1HG GLN 49 9.963 13.285 -2.997 380 2HG GLN 49 2HG GLN 49 10.310 12.663 -1.383 381 1HE2 GLN 49 1HE2 GLN 49 11.702 13.655 -4.147 382 2HE2 GLN 49 2HE2 GLN 49 13.185 12.771 -4.078 383 H ALA 50 H ALA 50 7.454 9.500 -0.849 384 HA ALA 50 HA ALA 50 6.173 7.961 -2.954 385 1HB ALA 50 1HB ALA 50 6.047 6.261 -0.970 386 2HB ALA 50 2HB ALA 50 7.219 7.350 -0.225 387 3HB ALA 50 3HB ALA 50 7.587 6.581 -1.769 388 H ASP 51 H ASP 51 4.037 7.552 -3.095 389 HA ASP 51 HA ASP 51 2.275 9.001 -1.290 390 1HB ASP 51 1HB ASP 51 1.663 7.447 -3.815 391 2HB ASP 51 2HB ASP 51 0.505 8.415 -2.910 392 H PHE 52 H PHE 52 1.310 8.074 0.379 393 HA PHE 52 HA PHE 52 1.329 5.158 0.564 394 1HB PHE 52 1HB PHE 52 0.863 7.291 2.656 395 2HB PHE 52 2HB PHE 52 0.781 5.551 2.971 396 HD1 PHE 52 HD1 PHE 52 3.123 7.954 1.320 397 HD2 PHE 52 HD2 PHE 52 2.638 4.626 3.926 398 HE1 PHE 52 HE1 PHE 52 5.553 7.906 1.706 399 HE2 PHE 52 HE2 PHE 52 5.066 4.573 4.318 400 HZ PHE 52 HZ PHE 52 6.527 6.215 3.208 401 H TYR 53 H TYR 53 -0.388 4.358 -0.465 402 HA TYR 53 HA TYR 53 -3.047 5.387 0.277 403 1HB TYR 53 1HB TYR 53 -2.026 4.200 -2.291 404 2HB TYR 53 2HB TYR 53 -3.743 4.194 -1.909 405 HD1 TYR 53 HD1 TYR 53 -4.744 6.535 -1.242 406 HD2 TYR 53 HD2 TYR 53 -1.144 5.998 -3.445 407 HE1 TYR 53 HE1 TYR 53 -4.955 8.814 -2.136 408 HE2 TYR 53 HE2 TYR 53 -1.344 8.278 -4.341 409 HH TYR 53 HH TYR 53 -2.412 10.375 -3.822 410 H LYS 54 H LYS 54 -4.707 3.445 -0.353 411 HA LYS 54 HA LYS 54 -3.669 0.930 0.718 412 1HB LYS 54 1HB LYS 54 -6.257 1.996 1.803 413 2HB LYS 54 2HB LYS 54 -5.194 0.764 2.468 414 1HG LYS 54 1HG LYS 54 -3.625 2.371 3.203 415 2HG LYS 54 2HG LYS 54 -4.415 3.659 2.294 416 1HD LYS 54 1HD LYS 54 -6.389 3.450 3.726 417 2HD LYS 54 2HD LYS 54 -5.592 2.170 4.642 418 1HE LYS 54 1HE LYS 54 -4.716 5.042 4.399 419 2HE LYS 54 2HE LYS 54 -5.411 4.268 5.824 420 1HZ LYS 54 1HZ LYS 54 -2.754 3.849 4.618 421 2HZ LYS 54 2HZ LYS 54 -3.436 2.692 5.644 422 3HZ LYS 54 3HZ LYS 54 -3.141 4.260 6.213 423 H LEU 55 H LEU 55 -5.110 -0.892 0.324 424 HA LEU 55 HA LEU 55 -6.923 -0.384 -1.942 425 1HB LEU 55 1HB LEU 55 -4.768 -1.605 -2.450 426 2HB LEU 55 2HB LEU 55 -5.359 -2.908 -1.443 427 HG LEU 55 HG LEU 55 -5.684 -3.315 -3.864 428 1HD1 LEU 55 1HD1 LEU 55 -7.307 -3.988 -1.846 429 2HD1 LEU 55 2HD1 LEU 55 -7.596 -4.466 -3.519 430 3HD1 LEU 55 3HD1 LEU 55 -8.441 -3.076 -2.841 431 1HD2 LEU 55 1HD2 LEU 55 -6.292 -0.745 -4.117 432 2HD2 LEU 55 2HD2 LEU 55 -7.927 -1.380 -3.930 433 3HD2 LEU 55 3HD2 LEU 55 -6.896 -1.969 -5.234 434 H ASP 56 H ASP 56 -8.954 -1.124 -1.816 435 HA ASP 56 HA ASP 56 -9.811 -2.361 0.660 436 1HB ASP 56 1HB ASP 56 -11.062 -0.472 -0.490 437 2HB ASP 56 2HB ASP 56 -11.520 -1.641 -1.728 438 H VAL 57 H VAL 57 -9.765 -4.497 0.879 439 HA VAL 57 HA VAL 57 -9.539 -6.251 -1.361 440 HB VAL 57 HB VAL 57 -9.783 -6.755 1.609 441 1HG1 VAL 57 1HG1 VAL 57 -8.931 -9.123 0.751 442 2HG1 VAL 57 2HG1 VAL 57 -9.866 -8.679 -0.676 443 3HG1 VAL 57 3HG1 VAL 57 -10.652 -8.766 0.900 444 1HG2 VAL 57 1HG2 VAL 57 -7.455 -7.353 1.429 445 2HG2 VAL 57 2HG2 VAL 57 -7.690 -5.771 0.688 446 3HG2 VAL 57 3HG2 VAL 57 -7.502 -7.201 -0.328 447 H ASP 58 H ASP 58 -12.214 -4.754 -0.087 448 HA ASP 58 HA ASP 58 -14.005 -6.996 -0.723 449 1HB ASP 58 1HB ASP 58 -14.420 -5.934 1.439 450 2HB ASP 58 2HB ASP 58 -14.590 -4.367 0.662 451 H GLU 59 H GLU 59 -13.604 -3.520 -1.336 452 HA GLU 59 HA GLU 59 -15.510 -3.493 -3.468 453 1HB GLU 59 1HB GLU 59 -14.967 -1.517 -2.026 454 2HB GLU 59 2HB GLU 59 -13.397 -1.430 -2.814 455 1HG GLU 59 1HG GLU 59 -14.876 0.171 -3.806 456 2HG GLU 59 2HG GLU 59 -14.539 -1.102 -4.975 457 H LEU 60 H LEU 60 -11.985 -3.582 -3.237 458 HA LEU 60 HA LEU 60 -11.865 -4.036 -6.147 459 1HB LEU 60 1HB LEU 60 -9.751 -2.951 -4.284 460 2HB LEU 60 2HB LEU 60 -9.482 -3.329 -5.973 461 HG LEU 60 HG LEU 60 -11.168 -1.616 -6.593 462 1HD1 LEU 60 1HD1 LEU 60 -11.381 0.034 -4.447 463 2HD1 LEU 60 2HD1 LEU 60 -11.498 -1.550 -3.683 464 3HD1 LEU 60 3HD1 LEU 60 -12.621 -1.106 -4.967 465 1HD2 LEU 60 1HD2 LEU 60 -8.580 -1.273 -6.089 466 2HD2 LEU 60 2HD2 LEU 60 -9.230 -0.179 -4.869 467 3HD2 LEU 60 3HD2 LEU 60 -9.632 0.060 -6.570 468 H GLY 61 H GLY 61 -12.520 -6.103 -4.327 469 1HA GLY 61 1HA GLY 61 -10.437 -7.678 -3.410 470 2HA GLY 61 2HA GLY 61 -11.979 -8.305 -3.967 471 H ASP 62 H ASP 62 -11.404 -7.093 -6.684 472 HA ASP 62 HA ASP 62 -10.308 -9.403 -7.867 473 1HB ASP 62 1HB ASP 62 -10.744 -6.686 -9.034 474 2HB ASP 62 2HB ASP 62 -10.390 -8.128 -9.966 475 H VAL 63 H VAL 63 -8.912 -6.385 -6.825 476 HA VAL 63 HA VAL 63 -6.440 -6.788 -8.250 477 HB VAL 63 HB VAL 63 -6.842 -4.883 -5.948 478 1HG1 VAL 63 1HG1 VAL 63 -4.916 -3.911 -6.593 479 2HG1 VAL 63 2HG1 VAL 63 -5.249 -4.147 -8.309 480 3HG1 VAL 63 3HG1 VAL 63 -4.604 -5.476 -7.345 481 1HG2 VAL 63 1HG2 VAL 63 -7.589 -4.462 -8.841 482 2HG2 VAL 63 2HG2 VAL 63 -7.526 -3.195 -7.615 483 3HG2 VAL 63 3HG2 VAL 63 -8.690 -4.511 -7.464 484 H ALA 64 H ALA 64 -7.744 -7.592 -5.128 485 HA ALA 64 HA ALA 64 -5.233 -8.169 -3.846 486 1HB ALA 64 1HB ALA 64 -7.746 -9.498 -2.971 487 2HB ALA 64 2HB ALA 64 -7.657 -7.741 -2.850 488 3HB ALA 64 3HB ALA 64 -6.472 -8.744 -2.014 489 H GLN 65 H GLN 65 -7.424 -9.801 -5.971 490 HA GLN 65 HA GLN 65 -6.230 -12.412 -5.516 491 1HB GLN 65 1HB GLN 65 -8.647 -12.284 -5.851 492 2HB GLN 65 2HB GLN 65 -8.408 -11.514 -7.415 493 1HG GLN 65 1HG GLN 65 -7.314 -13.541 -8.238 494 2HG GLN 65 2HG GLN 65 -7.574 -14.311 -6.674 495 1HE2 GLN 65 1HE2 GLN 65 -9.211 -15.655 -6.666 496 2HE2 GLN 65 2HE2 GLN 65 -10.666 -15.507 -7.585 497 H LYS 66 H LYS 66 -6.262 -9.838 -7.925 498 HA LYS 66 HA LYS 66 -5.010 -11.231 -10.018 499 1HB LYS 66 1HB LYS 66 -4.623 -9.136 -11.036 500 2HB LYS 66 2HB LYS 66 -6.099 -8.918 -10.108 501 1HG LYS 66 1HG LYS 66 -4.824 -7.820 -8.342 502 2HG LYS 66 2HG LYS 66 -3.348 -8.020 -9.282 503 1HD LYS 66 1HD LYS 66 -5.786 -6.455 -10.131 504 2HD LYS 66 2HD LYS 66 -4.275 -5.768 -9.533 505 1HE LYS 66 1HE LYS 66 -4.609 -7.419 -12.034 506 2HE LYS 66 2HE LYS 66 -4.383 -5.672 -11.969 507 1HZ LYS 66 1HZ LYS 66 -2.444 -7.813 -11.572 508 2HZ LYS 66 2HZ LYS 66 -2.264 -6.437 -10.606 509 3HZ LYS 66 3HZ LYS 66 -2.249 -6.294 -12.290 510 H ASN 67 H ASN 67 -3.635 -9.244 -7.412 511 HA ASN 67 HA ASN 67 -0.936 -9.876 -8.146 512 1HB ASN 67 1HB ASN 67 -2.132 -8.459 -5.755 513 2HB ASN 67 2HB ASN 67 -0.405 -8.595 -6.086 514 1HD2 ASN 67 1HD2 ASN 67 -2.961 -6.602 -6.312 515 2HD2 ASN 67 2HD2 ASN 67 -2.449 -5.599 -7.642 516 H GLU 68 H GLU 68 -3.331 -11.581 -6.635 517 HA GLU 68 HA GLU 68 -3.390 -13.483 -5.408 518 1HB GLU 68 1HB GLU 68 -0.404 -13.509 -5.889 519 2HB GLU 68 2HB GLU 68 -1.360 -14.864 -5.303 520 1HG GLU 68 1HG GLU 68 -1.717 -13.526 -7.973 521 2HG GLU 68 2HG GLU 68 -0.823 -15.022 -7.698 522 H VAL 69 H VAL 69 -3.364 -11.092 -3.978 523 HA VAL 69 HA VAL 69 -1.599 -11.653 -1.693 524 HB VAL 69 HB VAL 69 -3.225 -9.168 -2.261 525 1HG1 VAL 69 1HG1 VAL 69 -2.862 -9.500 0.112 526 2HG1 VAL 69 2HG1 VAL 69 -1.866 -8.169 -0.471 527 3HG1 VAL 69 3HG1 VAL 69 -1.135 -9.746 -0.159 528 1HG2 VAL 69 1HG2 VAL 69 -1.042 -9.931 -3.650 529 2HG2 VAL 69 2HG2 VAL 69 -0.278 -9.079 -2.308 530 3HG2 VAL 69 3HG2 VAL 69 -1.458 -8.248 -3.323 531 H SER 70 H SER 70 -2.521 -12.963 -0.247 532 HA SER 70 HA SER 70 -5.190 -12.283 0.711 533 1HB SER 70 1HB SER 70 -5.650 -14.059 -0.793 534 2HB SER 70 2HB SER 70 -4.320 -15.013 -0.129 535 HG SER 70 HG SER 70 -6.836 -14.999 0.649 536 H ALA 71 H ALA 71 -2.293 -12.127 1.656 537 HA ALA 71 HA ALA 71 -2.504 -13.713 4.115 538 1HB ALA 71 1HB ALA 71 -0.354 -14.065 3.544 539 2HB ALA 71 2HB ALA 71 -0.091 -12.495 4.302 540 3HB ALA 71 3HB ALA 71 -0.270 -12.611 2.552 541 H MET 72 H MET 72 -4.203 -11.510 3.636 542 HA MET 72 HA MET 72 -3.999 -9.072 4.360 543 1HB MET 72 1HB MET 72 -6.005 -9.187 5.736 544 2HB MET 72 2HB MET 72 -6.128 -10.181 4.295 545 1HG MET 72 1HG MET 72 -5.429 -11.235 7.017 546 2HG MET 72 2HG MET 72 -7.058 -11.214 6.355 547 1HE MET 72 1HE MET 72 -6.139 -12.086 3.097 548 2HE MET 72 2HE MET 72 -7.615 -12.193 4.059 549 3HE MET 72 3HE MET 72 -6.883 -13.656 3.400 550 HA PRO 73 HA PRO 73 -3.655 -7.368 4.863 551 1HB PRO 73 1HB PRO 73 -2.020 -5.411 5.608 552 2HB PRO 73 2HB PRO 73 -3.513 -5.743 6.510 553 1HG PRO 73 1HG PRO 73 -0.698 -6.459 7.165 554 2HG PRO 73 2HG PRO 73 -2.002 -5.926 8.236 555 1HD PRO 73 1HD PRO 73 -1.197 -8.573 7.838 556 2HD PRO 73 2HD PRO 73 -2.737 -8.053 8.555 557 H THR 74 H THR 74 -1.700 -5.797 3.747 558 HA THR 74 HA THR 74 0.706 -7.278 3.265 559 HB THR 74 HB THR 74 -1.369 -7.116 1.079 560 HG1 THR 74 HG1 THR 74 -0.232 -9.530 1.598 561 1HG2 THR 74 1HG2 THR 74 0.256 -8.355 -0.307 562 2HG2 THR 74 2HG2 THR 74 1.479 -8.075 0.928 563 3HG2 THR 74 3HG2 THR 74 0.770 -6.711 0.065 564 H LEU 75 H LEU 75 2.125 -6.209 1.671 565 HA LEU 75 HA LEU 75 1.473 -3.357 1.335 566 1HB LEU 75 1HB LEU 75 4.162 -4.518 2.057 567 2HB LEU 75 2HB LEU 75 3.833 -2.826 1.746 568 HG LEU 75 HG LEU 75 2.791 -4.460 4.059 569 1HD1 LEU 75 1HD1 LEU 75 4.900 -3.940 4.715 570 2HD1 LEU 75 2HD1 LEU 75 4.087 -2.447 5.185 571 3HD1 LEU 75 3HD1 LEU 75 4.994 -2.519 3.675 572 1HD2 LEU 75 1HD2 LEU 75 1.047 -3.027 3.869 573 2HD2 LEU 75 2HD2 LEU 75 1.975 -1.847 2.944 574 3HD2 LEU 75 3HD2 LEU 75 2.162 -1.939 4.695 575 H LEU 76 H LEU 76 1.482 -2.766 -0.723 576 HA LEU 76 HA LEU 76 3.219 -4.231 -2.602 577 1HB LEU 76 1HB LEU 76 0.477 -3.050 -3.077 578 2HB LEU 76 2HB LEU 76 1.504 -3.701 -4.350 579 HG LEU 76 HG LEU 76 0.137 -5.189 -2.117 580 1HD1 LEU 76 1HD1 LEU 76 -0.577 -4.624 -4.742 581 2HD1 LEU 76 2HD1 LEU 76 -1.309 -5.822 -3.675 582 3HD1 LEU 76 3HD1 LEU 76 -0.015 -6.294 -4.778 583 1HD2 LEU 76 1HD2 LEU 76 1.293 -7.193 -2.769 584 2HD2 LEU 76 2HD2 LEU 76 2.482 -5.972 -2.322 585 3HD2 LEU 76 3HD2 LEU 76 2.177 -6.324 -4.022 586 H LEU 77 H LEU 77 4.742 -3.026 -3.562 587 HA LEU 77 HA LEU 77 4.382 -0.103 -3.540 588 1HB LEU 77 1HB LEU 77 6.932 -1.724 -3.650 589 2HB LEU 77 2HB LEU 77 6.844 0.026 -3.689 590 HG LEU 77 HG LEU 77 5.828 -0.011 -1.419 591 1HD1 LEU 77 1HD1 LEU 77 6.322 -2.253 -0.192 592 2HD1 LEU 77 2HD1 LEU 77 6.182 -2.947 -1.808 593 3HD1 LEU 77 3HD1 LEU 77 4.828 -2.059 -1.109 594 1HD2 LEU 77 1HD2 LEU 77 7.858 -0.063 -0.367 595 2HD2 LEU 77 2HD2 LEU 77 8.382 0.036 -2.049 596 3HD2 LEU 77 3HD2 LEU 77 8.384 -1.517 -1.214 597 H PHE 78 H PHE 78 4.856 1.095 -5.387 598 HA PHE 78 HA PHE 78 5.440 -0.362 -7.864 599 1HB PHE 78 1HB PHE 78 3.078 1.509 -7.554 600 2HB PHE 78 2HB PHE 78 3.514 0.598 -8.994 601 HD1 PHE 78 HD1 PHE 78 3.422 -1.942 -8.878 602 HD2 PHE 78 HD2 PHE 78 1.705 0.589 -5.918 603 HE1 PHE 78 HE1 PHE 78 2.028 -3.813 -8.088 604 HE2 PHE 78 HE2 PHE 78 0.313 -1.275 -5.126 605 HZ PHE 78 HZ PHE 78 0.465 -3.475 -6.210 606 H LYS 79 H LYS 79 6.854 0.767 -9.137 607 HA LYS 79 HA LYS 79 7.203 3.633 -8.509 608 1HB LYS 79 1HB LYS 79 9.165 1.634 -9.640 609 2HB LYS 79 2HB LYS 79 9.477 3.361 -9.541 610 1HG LYS 79 1HG LYS 79 9.199 3.224 -7.082 611 2HG LYS 79 2HG LYS 79 9.026 1.476 -7.234 612 1HD LYS 79 1HD LYS 79 11.430 3.130 -8.002 613 2HD LYS 79 2HD LYS 79 11.306 2.019 -6.637 614 1HE LYS 79 1HE LYS 79 10.980 0.156 -8.212 615 2HE LYS 79 2HE LYS 79 11.151 1.279 -9.558 616 1HZ LYS 79 1HZ LYS 79 13.216 0.508 -7.576 617 2HZ LYS 79 2HZ LYS 79 13.399 1.810 -8.639 618 3HZ LYS 79 3HZ LYS 79 13.234 0.242 -9.247 619 H ASN 80 H ASN 80 6.803 5.128 -10.034 620 HA ASN 80 HA ASN 80 5.968 5.993 -11.977 621 1HB ASN 80 1HB ASN 80 8.156 4.226 -13.086 622 2HB ASN 80 2HB ASN 80 7.395 5.560 -13.948 623 1HD2 ASN 80 1HD2 ASN 80 8.565 7.323 -13.961 624 2HD2 ASN 80 2HD2 ASN 80 9.630 7.857 -12.710 625 H GLY 81 H GLY 81 4.041 4.482 -11.434 626 1HA GLY 81 1HA GLY 81 2.348 3.131 -12.159 627 2HA GLY 81 2HA GLY 81 2.841 3.649 -13.766 628 H LYS 82 H LYS 82 5.106 1.892 -11.840 629 HA LYS 82 HA LYS 82 4.512 -0.565 -13.350 630 1HB LYS 82 1HB LYS 82 7.245 0.582 -12.734 631 2HB LYS 82 2HB LYS 82 6.951 -0.978 -13.485 632 1HG LYS 82 1HG LYS 82 5.931 0.099 -15.400 633 2HG LYS 82 2HG LYS 82 6.161 1.677 -14.649 634 1HD LYS 82 1HD LYS 82 8.588 1.329 -14.673 635 2HD LYS 82 2HD LYS 82 8.350 -0.244 -15.435 636 1HE LYS 82 1HE LYS 82 7.316 0.843 -17.363 637 2HE LYS 82 2HE LYS 82 7.538 2.416 -16.600 638 1HZ LYS 82 1HZ LYS 82 9.838 2.292 -16.848 639 2HZ LYS 82 2HZ LYS 82 9.249 1.686 -18.313 640 3HZ LYS 82 3HZ LYS 82 9.827 0.624 -17.130 641 H GLU 83 H GLU 83 6.660 -1.992 -12.049 642 HA GLU 83 HA GLU 83 5.459 -2.256 -9.380 643 1HB GLU 83 1HB GLU 83 5.227 -4.218 -10.860 644 2HB GLU 83 2HB GLU 83 6.971 -4.282 -11.054 645 1HG GLU 83 1HG GLU 83 7.273 -4.895 -8.769 646 2HG GLU 83 2HG GLU 83 5.569 -4.611 -8.412 647 H VAL 84 H VAL 84 7.170 -3.301 -7.793 648 HA VAL 84 HA VAL 84 9.890 -2.506 -8.213 649 HB VAL 84 HB VAL 84 9.034 -0.352 -7.663 650 1HG1 VAL 84 1HG1 VAL 84 7.105 -1.564 -6.285 651 2HG1 VAL 84 2HG1 VAL 84 7.473 0.151 -6.165 652 3HG1 VAL 84 3HG1 VAL 84 8.121 -0.977 -4.974 653 1HG2 VAL 84 1HG2 VAL 84 11.136 -1.449 -6.438 654 2HG2 VAL 84 2HG2 VAL 84 10.161 -1.026 -5.029 655 3HG2 VAL 84 3HG2 VAL 84 10.643 0.225 -6.176 656 H ALA 85 H ALA 85 7.618 -2.980 -5.515 657 HA ALA 85 HA ALA 85 9.024 -5.405 -4.765 658 1HB ALA 85 1HB ALA 85 8.907 -3.344 -2.615 659 2HB ALA 85 2HB ALA 85 10.226 -3.313 -3.785 660 3HB ALA 85 3HB ALA 85 9.970 -4.742 -2.782 661 H LYS 86 H LYS 86 8.129 -6.392 -2.776 662 HA LYS 86 HA LYS 86 5.438 -5.612 -2.039 663 1HB LYS 86 1HB LYS 86 6.047 -8.240 -3.394 664 2HB LYS 86 2HB LYS 86 4.564 -7.915 -2.505 665 1HG LYS 86 1HG LYS 86 4.069 -6.079 -4.025 666 2HG LYS 86 2HG LYS 86 5.532 -6.450 -4.935 667 1HD LYS 86 1HD LYS 86 3.179 -8.298 -4.535 668 2HD LYS 86 2HD LYS 86 3.554 -7.410 -6.012 669 1HE LYS 86 1HE LYS 86 5.281 -9.522 -4.723 670 2HE LYS 86 2HE LYS 86 4.283 -9.738 -6.159 671 1HZ LYS 86 1HZ LYS 86 6.206 -9.246 -7.190 672 2HZ LYS 86 2HZ LYS 86 6.850 -8.410 -5.868 673 3HZ LYS 86 3HZ LYS 86 5.743 -7.645 -6.893 674 H VAL 87 H VAL 87 5.089 -6.031 0.050 675 HA VAL 87 HA VAL 87 6.524 -8.224 1.285 676 HB VAL 87 HB VAL 87 6.678 -5.422 2.403 677 1HG1 VAL 87 1HG1 VAL 87 6.745 -7.760 3.808 678 2HG1 VAL 87 2HG1 VAL 87 7.515 -6.255 4.311 679 3HG1 VAL 87 3HG1 VAL 87 8.455 -7.490 3.472 680 1HG2 VAL 87 1HG2 VAL 87 9.200 -5.914 2.001 681 2HG2 VAL 87 2HG2 VAL 87 8.192 -5.367 0.661 682 3HG2 VAL 87 3HG2 VAL 87 8.597 -7.077 0.820 683 H VAL 88 H VAL 88 4.543 -9.246 1.590 684 HA VAL 88 HA VAL 88 2.257 -8.054 2.685 685 HB VAL 88 HB VAL 88 2.003 -10.152 1.574 686 1HG1 VAL 88 1HG1 VAL 88 3.820 -11.478 1.685 687 2HG1 VAL 88 2HG1 VAL 88 3.003 -12.177 3.083 688 3HG1 VAL 88 3HG1 VAL 88 4.242 -10.943 3.311 689 1HG2 VAL 88 1HG2 VAL 88 0.960 -9.652 4.107 690 2HG2 VAL 88 2HG2 VAL 88 1.468 -11.339 4.158 691 3HG2 VAL 88 3HG2 VAL 88 0.344 -10.794 2.914 692 H GLY 89 H GLY 89 2.863 -6.777 4.440 693 1HA GLY 89 1HA GLY 89 2.401 -7.283 6.923 694 2HA GLY 89 2HA GLY 89 3.896 -8.198 6.801 695 H ALA 90 H ALA 90 2.485 -5.112 7.231 696 HA ALA 90 HA ALA 90 4.829 -3.559 6.663 697 1HB ALA 90 1HB ALA 90 3.592 -1.691 7.358 698 2HB ALA 90 2HB ALA 90 2.529 -2.662 8.377 699 3HB ALA 90 3HB ALA 90 2.402 -2.764 6.620 700 H ASN 91 H ASN 91 6.012 -5.295 8.081 701 HA ASN 91 HA ASN 91 5.913 -4.857 10.913 702 1HB ASN 91 1HB ASN 91 6.574 -7.035 9.952 703 2HB ASN 91 2HB ASN 91 7.994 -6.280 9.236 704 1HD2 ASN 91 1HD2 ASN 91 9.784 -6.601 10.319 705 2HD2 ASN 91 2HD2 ASN 91 9.922 -6.824 12.026 706 HA PRO 92 HA PRO 92 8.276 -1.110 11.230 707 1HB PRO 92 1HB PRO 92 9.491 -2.649 13.500 708 2HB PRO 92 2HB PRO 92 8.946 -0.966 13.449 709 1HG PRO 92 1HG PRO 92 7.415 -2.807 14.575 710 2HG PRO 92 2HG PRO 92 6.697 -1.557 13.541 711 1HD PRO 92 1HD PRO 92 7.176 -4.441 12.969 712 2HD PRO 92 2HD PRO 92 5.873 -3.378 12.401 713 H ALA 93 H ALA 93 9.736 -4.289 11.111 714 HA ALA 93 HA ALA 93 12.357 -3.171 10.501 715 1HB ALA 93 1HB ALA 93 11.432 -5.579 11.704 716 2HB ALA 93 2HB ALA 93 13.080 -4.968 11.569 717 3HB ALA 93 3HB ALA 93 12.410 -5.984 10.293 718 H ALA 94 H ALA 94 10.066 -2.940 8.585 719 HA ALA 94 HA ALA 94 11.538 -3.661 6.256 720 1HB ALA 94 1HB ALA 94 10.669 -5.854 6.648 721 2HB ALA 94 2HB ALA 94 9.809 -5.161 5.274 722 3HB ALA 94 3HB ALA 94 9.037 -5.220 6.858 723 H ILE 95 H ILE 95 8.199 -2.940 7.292 724 HA ILE 95 HA ILE 95 7.311 -1.690 5.022 725 HB ILE 95 HB ILE 95 5.838 -2.090 6.885 726 1HG1 ILE 95 1HG1 ILE 95 4.603 -0.012 6.952 727 2HG1 ILE 95 2HG1 ILE 95 6.030 0.899 6.470 728 1HG2 ILE 95 1HG2 ILE 95 6.133 -1.371 9.003 729 2HG2 ILE 95 2HG2 ILE 95 6.814 0.175 8.498 730 3HG2 ILE 95 3HG2 ILE 95 7.817 -1.276 8.488 731 1HD1 ILE 95 1HD1 ILE 95 5.201 0.760 4.413 732 2HD1 ILE 95 2HD1 ILE 95 4.079 -0.525 4.858 733 3HD1 ILE 95 3HD1 ILE 95 5.745 -0.916 4.434 734 H LYS 96 H LYS 96 9.854 -0.643 7.071 735 HA LYS 96 HA LYS 96 9.611 2.134 6.179 736 1HB LYS 96 1HB LYS 96 11.381 2.666 7.720 737 2HB LYS 96 2HB LYS 96 10.190 1.676 8.549 738 1HG LYS 96 1HG LYS 96 11.629 -0.275 8.313 739 2HG LYS 96 2HG LYS 96 12.820 0.705 7.452 740 1HD LYS 96 1HD LYS 96 13.021 2.148 9.449 741 2HD LYS 96 2HD LYS 96 11.911 1.074 10.304 742 1HE LYS 96 1HE LYS 96 14.586 0.299 9.145 743 2HE LYS 96 2HE LYS 96 14.245 0.582 10.851 744 1HZ LYS 96 1HZ LYS 96 12.935 -1.511 9.201 745 2HZ LYS 96 2HZ LYS 96 12.760 -1.281 10.867 746 3HZ LYS 96 3HZ LYS 96 14.245 -1.785 10.236 747 H GLN 97 H GLN 97 12.004 -0.488 6.077 748 HA GLN 97 HA GLN 97 13.766 0.881 4.329 749 1HB GLN 97 1HB GLN 97 13.509 -2.079 4.890 750 2HB GLN 97 2HB GLN 97 14.866 -1.313 4.075 751 1HG GLN 97 1HG GLN 97 15.362 -0.040 6.102 752 2HG GLN 97 2HG GLN 97 14.009 -0.822 6.919 753 1HE2 GLN 97 1HE2 GLN 97 14.610 -2.386 8.217 754 2HE2 GLN 97 2HE2 GLN 97 15.957 -3.443 7.994 755 H ALA 98 H ALA 98 11.026 -1.234 3.859 756 HA ALA 98 HA ALA 98 11.438 -1.946 1.180 757 1HB ALA 98 1HB ALA 98 9.694 -3.140 1.993 758 2HB ALA 98 2HB ALA 98 8.759 -1.833 1.267 759 3HB ALA 98 3HB ALA 98 9.110 -1.812 2.995 760 H ILE 99 H ILE 99 10.182 0.963 2.639 761 HA ILE 99 HA ILE 99 9.457 2.125 0.080 762 HB ILE 99 HB ILE 99 9.214 3.117 2.923 763 1HG1 ILE 99 1HG1 ILE 99 6.788 2.971 2.413 764 2HG1 ILE 99 2HG1 ILE 99 7.183 2.318 0.829 765 1HG2 ILE 99 1HG2 ILE 99 9.660 5.052 1.562 766 2HG2 ILE 99 2HG2 ILE 99 7.943 5.027 1.962 767 3HG2 ILE 99 3HG2 ILE 99 8.482 4.532 0.357 768 1HD1 ILE 99 1HD1 ILE 99 6.615 0.836 3.012 769 2HD1 ILE 99 2HD1 ILE 99 8.375 0.874 3.075 770 3HD1 ILE 99 3HD1 ILE 99 7.559 0.270 1.635 771 H ALA 100 H ALA 100 12.213 1.911 2.023 772 HA ALA 100 HA ALA 100 13.296 4.494 1.242 773 1HB ALA 100 1HB ALA 100 14.799 4.244 2.908 774 2HB ALA 100 2HB ALA 100 15.046 2.530 2.574 775 3HB ALA 100 3HB ALA 100 13.634 3.055 3.491 776 H ALA 101 H ALA 101 14.472 1.129 1.041 777 HA ALA 101 HA ALA 101 16.468 1.582 -0.838 778 1HB ALA 101 1HB ALA 101 16.469 -0.799 -1.223 779 2HB ALA 101 2HB ALA 101 14.853 -0.946 -0.530 780 3HB ALA 101 3HB ALA 101 16.214 -0.486 0.494 781 H ASN 102 H ASN 102 13.024 1.265 -1.255 782 HA ASN 102 HA ASN 102 13.181 0.864 -4.102 783 1HB ASN 102 1HB ASN 102 10.889 1.376 -2.202 784 2HB ASN 102 2HB ASN 102 10.692 1.129 -3.937 785 1HD2 ASN 102 1HD2 ASN 102 13.238 -0.775 -3.072 786 2HD2 ASN 102 2HD2 ASN 102 12.397 -2.245 -2.752 787 H ALA 103 H ALA 103 12.032 3.445 -1.929 788 HA ALA 103 HA ALA 103 12.046 5.314 -4.186 789 1HB ALA 103 1HB ALA 103 11.011 5.749 -1.389 790 2HB ALA 103 2HB ALA 103 10.037 5.187 -2.747 791 3HB ALA 103 3HB ALA 103 10.762 6.795 -2.786 Start of MODEL 6 1 1H MET 1 1H MET 1 -0.442 12.692 2.417 2 2H MET 1 2H MET 1 -0.338 11.167 1.635 3 3H MET 1 3H MET 1 0.176 11.336 3.265 4 HA MET 1 HA MET 1 -1.953 11.626 4.040 5 1HB MET 1 1HB MET 1 -3.868 11.786 2.412 6 2HB MET 1 2HB MET 1 -2.783 13.167 2.418 7 1HG MET 1 1HG MET 1 -3.293 12.715 0.164 8 2HG MET 1 2HG MET 1 -1.642 12.160 0.426 9 1HE MET 1 1HE MET 1 -4.979 9.902 1.473 10 2HE MET 1 2HE MET 1 -5.394 9.648 -0.223 11 3HE MET 1 3HE MET 1 -5.286 11.286 0.423 12 H VAL 2 H VAL 2 -3.790 10.028 4.010 13 HA VAL 2 HA VAL 2 -3.008 7.485 2.754 14 HB VAL 2 HB VAL 2 -3.940 7.781 5.613 15 1HG1 VAL 2 1HG1 VAL 2 -2.870 5.268 5.306 16 2HG1 VAL 2 2HG1 VAL 2 -3.749 5.513 3.798 17 3HG1 VAL 2 3HG1 VAL 2 -4.587 5.664 5.343 18 1HG2 VAL 2 1HG2 VAL 2 -1.246 7.534 4.376 19 2HG2 VAL 2 2HG2 VAL 2 -1.549 6.717 5.910 20 3HG2 VAL 2 3HG2 VAL 2 -1.764 8.463 5.782 21 H THR 3 H THR 3 -4.628 6.553 1.680 22 HA THR 3 HA THR 3 -7.371 6.862 2.585 23 HB THR 3 HB THR 3 -6.400 7.857 -0.094 24 HG1 THR 3 HG1 THR 3 -7.419 9.771 0.632 25 1HG2 THR 3 1HG2 THR 3 -9.201 7.304 0.815 26 2HG2 THR 3 2HG2 THR 3 -8.396 6.780 -0.664 27 3HG2 THR 3 3HG2 THR 3 -8.822 8.476 -0.447 28 H GLN 4 H GLN 4 -8.875 5.461 1.467 29 HA GLN 4 HA GLN 4 -7.635 2.924 0.714 30 1HB GLN 4 1HB GLN 4 -10.579 3.578 0.929 31 2HB GLN 4 2HB GLN 4 -9.836 1.987 0.959 32 1HG GLN 4 1HG GLN 4 -8.897 2.401 3.117 33 2HG GLN 4 2HG GLN 4 -9.437 4.077 3.085 34 1HE2 GLN 4 1HE2 GLN 4 -11.149 4.432 4.284 35 2HE2 GLN 4 2HE2 GLN 4 -12.429 3.314 4.601 36 H PHE 5 H PHE 5 -8.658 1.719 -1.155 37 HA PHE 5 HA PHE 5 -9.304 3.590 -3.335 38 1HB PHE 5 1HB PHE 5 -7.774 0.993 -3.415 39 2HB PHE 5 2HB PHE 5 -8.453 1.739 -4.867 40 HD1 PHE 5 HD1 PHE 5 -7.896 4.637 -3.818 41 HD2 PHE 5 HD2 PHE 5 -5.516 1.127 -4.214 42 HE1 PHE 5 HE1 PHE 5 -5.887 6.035 -4.093 43 HE2 PHE 5 HE2 PHE 5 -3.511 2.520 -4.487 44 HZ PHE 5 HZ PHE 5 -3.692 4.971 -4.429 45 H LYS 6 H LYS 6 -11.296 3.486 -4.044 46 HA LYS 6 HA LYS 6 -12.924 1.135 -3.431 47 1HB LYS 6 1HB LYS 6 -13.452 3.769 -3.129 48 2HB LYS 6 2HB LYS 6 -14.187 3.463 -4.697 49 1HG LYS 6 1HG LYS 6 -15.802 3.165 -2.943 50 2HG LYS 6 2HG LYS 6 -15.484 1.628 -3.730 51 1HD LYS 6 1HD LYS 6 -15.613 1.397 -1.290 52 2HD LYS 6 2HD LYS 6 -14.007 0.989 -1.897 53 1HE LYS 6 1HE LYS 6 -13.208 3.217 -1.266 54 2HE LYS 6 2HE LYS 6 -14.814 3.623 -0.665 55 1HZ LYS 6 1HZ LYS 6 -12.851 1.724 0.451 56 2HZ LYS 6 2HZ LYS 6 -14.495 1.575 0.818 57 3HZ LYS 6 3HZ LYS 6 -13.664 2.992 1.224 58 H THR 7 H THR 7 -11.930 3.171 -6.136 59 HA THR 7 HA THR 7 -12.824 1.046 -7.972 60 HB THR 7 HB THR 7 -13.233 2.803 -9.664 61 HG1 THR 7 HG1 THR 7 -13.181 4.952 -9.051 62 1HG2 THR 7 1HG2 THR 7 -15.026 4.083 -8.060 63 2HG2 THR 7 2HG2 THR 7 -14.777 2.560 -7.206 64 3HG2 THR 7 3HG2 THR 7 -15.303 2.551 -8.889 65 H ALA 8 H ALA 8 -11.410 0.400 -9.538 66 HA ALA 8 HA ALA 8 -8.679 0.724 -9.134 67 1HB ALA 8 1HB ALA 8 -10.279 -0.270 -11.465 68 2HB ALA 8 2HB ALA 8 -9.286 -1.181 -10.327 69 3HB ALA 8 3HB ALA 8 -8.520 -0.164 -11.547 70 H SER 9 H SER 9 -10.904 2.722 -10.864 71 HA SER 9 HA SER 9 -9.101 4.037 -12.578 72 1HB SER 9 1HB SER 9 -11.646 5.086 -11.314 73 2HB SER 9 2HB SER 9 -10.805 5.820 -12.680 74 HG SER 9 HG SER 9 -11.250 3.985 -13.897 75 H GLU 10 H GLU 10 -9.421 4.105 -9.188 76 HA GLU 10 HA GLU 10 -8.266 6.734 -8.897 77 1HB GLU 10 1HB GLU 10 -9.048 4.690 -6.828 78 2HB GLU 10 2HB GLU 10 -8.464 6.309 -6.470 79 1HG GLU 10 1HG GLU 10 -10.987 5.635 -7.967 80 2HG GLU 10 2HG GLU 10 -10.887 6.163 -6.288 81 H PHE 11 H PHE 11 -7.446 3.402 -8.189 82 HA PHE 11 HA PHE 11 -4.814 4.009 -7.275 83 1HB PHE 11 1HB PHE 11 -6.185 1.994 -6.590 84 2HB PHE 11 2HB PHE 11 -5.854 1.322 -8.180 85 HD1 PHE 11 HD1 PHE 11 -5.053 -0.492 -6.397 86 HD2 PHE 11 HD2 PHE 11 -3.027 3.150 -7.263 87 HE1 PHE 11 HE1 PHE 11 -2.955 -1.452 -5.540 88 HE2 PHE 11 HE2 PHE 11 -0.931 2.193 -6.419 89 HZ PHE 11 HZ PHE 11 -0.893 -0.110 -5.556 90 H ASP 12 H ASP 12 -6.262 2.997 -10.308 91 HA ASP 12 HA ASP 12 -4.042 2.198 -11.744 92 1HB ASP 12 1HB ASP 12 -6.343 2.044 -12.598 93 2HB ASP 12 2HB ASP 12 -6.405 3.796 -12.757 94 H SER 13 H SER 13 -5.049 5.420 -10.849 95 HA SER 13 HA SER 13 -3.038 6.663 -12.545 96 1HB SER 13 1HB SER 13 -5.217 7.760 -12.345 97 2HB SER 13 2HB SER 13 -5.011 7.881 -10.598 98 HG SER 13 HG SER 13 -4.314 9.662 -12.314 99 H ALA 14 H ALA 14 -3.487 5.707 -9.240 100 HA ALA 14 HA ALA 14 -1.705 7.367 -7.914 101 1HB ALA 14 1HB ALA 14 -1.648 4.569 -7.035 102 2HB ALA 14 2HB ALA 14 -3.261 5.263 -7.194 103 3HB ALA 14 3HB ALA 14 -2.069 6.033 -6.147 104 H ILE 15 H ILE 15 -1.032 4.198 -9.405 105 HA ILE 15 HA ILE 15 1.780 4.380 -8.922 106 HB ILE 15 HB ILE 15 1.977 2.387 -10.337 107 1HG1 ILE 15 1HG1 ILE 15 -0.997 2.771 -10.758 108 2HG1 ILE 15 2HG1 ILE 15 0.255 2.841 -11.993 109 1HG2 ILE 15 1HG2 ILE 15 1.016 2.534 -7.856 110 2HG2 ILE 15 2HG2 ILE 15 1.227 1.003 -8.707 111 3HG2 ILE 15 3HG2 ILE 15 -0.364 1.761 -8.637 112 1HD1 ILE 15 1HD1 ILE 15 0.323 0.337 -10.560 113 2HD1 ILE 15 2HD1 ILE 15 0.198 0.649 -12.291 114 3HD1 ILE 15 3HD1 ILE 15 -1.254 0.640 -11.289 115 H ALA 16 H ALA 16 -0.225 4.711 -11.839 116 HA ALA 16 HA ALA 16 1.599 5.058 -13.792 117 1HB ALA 16 1HB ALA 16 -0.505 7.117 -13.832 118 2HB ALA 16 2HB ALA 16 -1.057 5.452 -13.639 119 3HB ALA 16 3HB ALA 16 -0.077 5.900 -15.036 120 H GLN 17 H GLN 17 3.535 5.984 -13.285 121 HA GLN 17 HA GLN 17 5.076 7.588 -12.768 122 1HB GLN 17 1HB GLN 17 3.084 9.262 -14.306 123 2HB GLN 17 2HB GLN 17 4.758 9.704 -13.998 124 1HG GLN 17 1HG GLN 17 5.513 7.773 -15.283 125 2HG GLN 17 2HG GLN 17 3.832 7.319 -15.588 126 1HE2 GLN 17 1HE2 GLN 17 6.432 8.736 -16.929 127 2HE2 GLN 17 2HE2 GLN 17 5.660 9.777 -18.072 128 H ASP 18 H ASP 18 4.944 7.740 -10.536 129 HA ASP 18 HA ASP 18 4.243 10.253 -9.493 130 1HB ASP 18 1HB ASP 18 1.945 9.388 -9.747 131 2HB ASP 18 2HB ASP 18 2.359 8.015 -8.725 132 H LYS 19 H LYS 19 6.497 8.574 -9.412 133 HA LYS 19 HA LYS 19 8.112 7.907 -7.948 134 1HB LYS 19 1HB LYS 19 6.246 9.177 -5.959 135 2HB LYS 19 2HB LYS 19 7.888 8.683 -5.596 136 1HG LYS 19 1HG LYS 19 7.939 11.013 -5.951 137 2HG LYS 19 2HG LYS 19 8.657 10.264 -7.378 138 1HD LYS 19 1HD LYS 19 6.629 10.587 -8.634 139 2HD LYS 19 2HD LYS 19 5.783 11.168 -7.198 140 1HE LYS 19 1HE LYS 19 7.301 13.086 -7.094 141 2HE LYS 19 2HE LYS 19 8.142 12.499 -8.529 142 1HZ LYS 19 1HZ LYS 19 5.267 12.833 -8.790 143 2HZ LYS 19 2HZ LYS 19 6.504 13.202 -9.881 144 3HZ LYS 19 3HZ LYS 19 6.157 14.261 -8.609 145 H LEU 20 H LEU 20 7.722 6.954 -5.261 146 HA LEU 20 HA LEU 20 6.591 4.346 -5.930 147 1HB LEU 20 1HB LEU 20 8.865 4.339 -5.082 148 2HB LEU 20 2HB LEU 20 8.360 5.241 -3.652 149 HG LEU 20 HG LEU 20 6.950 3.304 -2.985 150 1HD1 LEU 20 1HD1 LEU 20 8.280 1.328 -4.591 151 2HD1 LEU 20 2HD1 LEU 20 7.405 2.470 -5.611 152 3HD1 LEU 20 3HD1 LEU 20 6.555 1.597 -4.337 153 1HD2 LEU 20 1HD2 LEU 20 9.054 1.751 -2.653 154 2HD2 LEU 20 2HD2 LEU 20 8.903 3.287 -1.801 155 3HD2 LEU 20 3HD2 LEU 20 9.909 3.173 -3.246 156 H VAL 21 H VAL 21 4.585 3.958 -5.357 157 HA VAL 21 HA VAL 21 3.432 5.361 -3.057 158 HB VAL 21 HB VAL 21 2.024 3.783 -5.217 159 1HG1 VAL 21 1HG1 VAL 21 0.871 3.938 -3.000 160 2HG1 VAL 21 2HG1 VAL 21 -0.016 4.654 -4.345 161 3HG1 VAL 21 3HG1 VAL 21 0.844 5.690 -3.205 162 1HG2 VAL 21 1HG2 VAL 21 2.909 6.588 -5.045 163 2HG2 VAL 21 2HG2 VAL 21 1.252 6.338 -5.598 164 3HG2 VAL 21 3HG2 VAL 21 2.592 5.579 -6.457 165 H VAL 22 H VAL 22 2.811 4.306 -1.257 166 HA VAL 22 HA VAL 22 3.320 1.422 -1.151 167 HB VAL 22 HB VAL 22 2.907 3.355 1.134 168 1HG1 VAL 22 1HG1 VAL 22 3.904 1.512 2.482 169 2HG1 VAL 22 2HG1 VAL 22 3.785 0.474 1.061 170 3HG1 VAL 22 3HG1 VAL 22 2.324 1.127 1.800 171 1HG2 VAL 22 1HG2 VAL 22 5.522 2.119 0.354 172 2HG2 VAL 22 2HG2 VAL 22 5.219 3.521 1.380 173 3HG2 VAL 22 3HG2 VAL 22 4.979 3.637 -0.364 174 H VAL 23 H VAL 23 1.427 0.621 -2.034 175 HA VAL 23 HA VAL 23 -1.089 1.332 -0.708 176 HB VAL 23 HB VAL 23 -0.725 -0.357 -3.186 177 1HG1 VAL 23 1HG1 VAL 23 -3.107 0.215 -3.548 178 2HG1 VAL 23 2HG1 VAL 23 -3.129 0.994 -1.967 179 3HG1 VAL 23 3HG1 VAL 23 -2.834 -0.740 -2.092 180 1HG2 VAL 23 1HG2 VAL 23 -1.798 2.055 -3.975 181 2HG2 VAL 23 2HG2 VAL 23 -0.132 1.537 -4.208 182 3HG2 VAL 23 3HG2 VAL 23 -0.560 2.525 -2.812 183 H ASP 24 H ASP 24 -1.915 0.042 0.780 184 HA ASP 24 HA ASP 24 -0.836 -2.666 1.051 185 1HB ASP 24 1HB ASP 24 -0.685 -1.206 3.019 186 2HB ASP 24 2HB ASP 24 -2.441 -0.992 3.000 187 H PHE 25 H PHE 25 -2.053 -4.453 0.771 188 HA PHE 25 HA PHE 25 -4.825 -4.103 -0.064 189 1HB PHE 25 1HB PHE 25 -2.782 -6.295 -0.420 190 2HB PHE 25 2HB PHE 25 -4.481 -6.517 -0.830 191 HD1 PHE 25 HD1 PHE 25 -1.978 -3.794 -1.425 192 HD2 PHE 25 HD2 PHE 25 -4.835 -6.485 -3.053 193 HE1 PHE 25 HE1 PHE 25 -1.523 -2.903 -3.672 194 HE2 PHE 25 HE2 PHE 25 -4.413 -5.589 -5.292 195 HZ PHE 25 HZ PHE 25 -2.756 -3.792 -5.614 196 H TYR 26 H TYR 26 -4.746 -3.738 2.536 197 HA TYR 26 HA TYR 26 -4.677 -5.895 4.263 198 1HB TYR 26 1HB TYR 26 -6.344 -4.510 5.641 199 2HB TYR 26 2HB TYR 26 -4.781 -3.792 5.278 200 HD1 TYR 26 HD1 TYR 26 -8.051 -4.019 3.451 201 HD2 TYR 26 HD2 TYR 26 -4.941 -1.519 4.928 202 HE1 TYR 26 HE1 TYR 26 -9.177 -2.057 2.495 203 HE2 TYR 26 HE2 TYR 26 -6.061 0.441 4.012 204 HH TYR 26 HH TYR 26 -9.231 0.435 2.960 205 H ALA 27 H ALA 27 -6.192 -7.301 5.109 206 HA ALA 27 HA ALA 27 -8.057 -8.360 3.288 207 1HB ALA 27 1HB ALA 27 -8.592 -9.942 4.956 208 2HB ALA 27 2HB ALA 27 -8.085 -8.858 6.252 209 3HB ALA 27 3HB ALA 27 -6.882 -9.570 5.177 210 H THR 28 H THR 28 -10.297 -8.331 3.256 211 HA THR 28 HA THR 28 -11.496 -5.890 4.157 212 HB THR 28 HB THR 28 -12.189 -6.677 2.032 213 HG1 THR 28 HG1 THR 28 -14.300 -7.341 3.799 214 1HG2 THR 28 1HG2 THR 28 -13.671 -9.028 2.596 215 2HG2 THR 28 2HG2 THR 28 -12.018 -9.262 3.164 216 3HG2 THR 28 3HG2 THR 28 -12.318 -8.812 1.486 217 H TRP 29 H TRP 29 -10.861 -8.677 5.786 218 HA TRP 29 HA TRP 29 -13.205 -8.312 7.526 219 1HB TRP 29 1HB TRP 29 -12.738 -10.823 8.101 220 2HB TRP 29 2HB TRP 29 -13.649 -10.403 6.643 221 HD1 TRP 29 HD1 TRP 29 -12.466 -10.834 4.292 222 HE1 TRP 29 HE1 TRP 29 -10.422 -12.242 3.613 223 HE3 TRP 29 HE3 TRP 29 -10.434 -11.573 8.916 224 HZ2 TRP 29 HZ2 TRP 29 -8.226 -13.487 4.874 225 HZ3 TRP 29 HZ3 TRP 29 -8.358 -12.869 9.101 226 HH2 TRP 29 HH2 TRP 29 -7.276 -13.817 7.118 227 H CYS 30 H CYS 30 -9.739 -9.001 7.356 228 HA CYS 30 HA CYS 30 -9.137 -9.612 9.958 229 1HB CYS 30 1HB CYS 30 -7.476 -9.382 8.076 230 2HB CYS 30 2HB CYS 30 -7.537 -7.636 8.316 231 HG CYS 30 HG CYS 30 -5.514 -8.548 9.646 232 H GLY 31 H GLY 31 -8.329 -8.250 11.753 233 1HA GLY 31 1HA GLY 31 -9.985 -5.831 11.987 234 2HA GLY 31 2HA GLY 31 -9.370 -6.776 13.330 235 HA PRO 32 HA PRO 32 -5.743 -4.397 14.052 236 1HB PRO 32 1HB PRO 32 -4.053 -6.400 12.612 237 2HB PRO 32 2HB PRO 32 -3.812 -5.657 14.199 238 1HG PRO 32 1HG PRO 32 -4.727 -8.143 14.007 239 2HG PRO 32 2HG PRO 32 -5.376 -7.032 15.228 240 1HD PRO 32 1HD PRO 32 -6.597 -7.975 12.679 241 2HD PRO 32 2HD PRO 32 -7.374 -7.554 14.219 242 H CYS 33 H CYS 33 -6.188 -5.553 10.776 243 HA CYS 33 HA CYS 33 -4.286 -4.012 9.447 244 1HB CYS 33 1HB CYS 33 -7.008 -4.956 8.539 245 2HB CYS 33 2HB CYS 33 -5.826 -4.194 7.468 246 HG CYS 33 HG CYS 33 -4.686 -6.639 8.847 247 H LYS 34 H LYS 34 -7.739 -3.220 9.980 248 HA LYS 34 HA LYS 34 -7.766 -0.726 8.809 249 1HB LYS 34 1HB LYS 34 -9.789 -1.860 9.599 250 2HB LYS 34 2HB LYS 34 -9.294 -1.607 11.267 251 1HG LYS 34 1HG LYS 34 -9.482 0.800 10.976 252 2HG LYS 34 2HG LYS 34 -9.938 0.569 9.288 253 1HD LYS 34 1HD LYS 34 -11.904 0.966 10.674 254 2HD LYS 34 2HD LYS 34 -11.932 -0.663 9.996 255 1HE LYS 34 1HE LYS 34 -11.087 -1.553 12.114 256 2HE LYS 34 2HE LYS 34 -11.063 0.076 12.789 257 1HZ LYS 34 1HZ LYS 34 -13.582 -0.062 11.981 258 2HZ LYS 34 2HZ LYS 34 -13.086 -0.548 13.523 259 3HZ LYS 34 3HZ LYS 34 -13.314 -1.701 12.306 260 H MET 35 H MET 35 -6.405 -1.639 11.879 261 HA MET 35 HA MET 35 -6.193 1.035 12.901 262 1HB MET 35 1HB MET 35 -6.249 -0.939 14.380 263 2HB MET 35 2HB MET 35 -4.718 -1.482 13.705 264 1HG MET 35 1HG MET 35 -4.454 -0.411 15.888 265 2HG MET 35 2HG MET 35 -3.587 0.445 14.615 266 1HE MET 35 1HE MET 35 -7.659 0.936 15.236 267 2HE MET 35 2HE MET 35 -7.395 1.758 16.774 268 3HE MET 35 3HE MET 35 -6.799 0.115 16.540 269 H ILE 36 H ILE 36 -4.776 -0.335 10.323 270 HA ILE 36 HA ILE 36 -2.074 0.625 10.696 271 HB ILE 36 HB ILE 36 -3.462 -0.671 8.354 272 1HG1 ILE 36 1HG1 ILE 36 -1.436 -1.704 10.346 273 2HG1 ILE 36 2HG1 ILE 36 -3.138 -2.146 10.273 274 1HG2 ILE 36 1HG2 ILE 36 -0.776 -0.962 7.929 275 2HG2 ILE 36 2HG2 ILE 36 -0.903 0.691 8.531 276 3HG2 ILE 36 3HG2 ILE 36 -1.835 0.191 7.120 277 1HD1 ILE 36 1HD1 ILE 36 -1.831 -3.895 9.319 278 2HD1 ILE 36 2HD1 ILE 36 -1.020 -2.762 8.237 279 3HD1 ILE 36 3HD1 ILE 36 -2.738 -3.101 8.031 280 H ALA 37 H ALA 37 -5.043 1.827 9.463 281 HA ALA 37 HA ALA 37 -4.277 3.538 7.437 282 1HB ALA 37 1HB ALA 37 -6.531 3.568 7.646 283 2HB ALA 37 2HB ALA 37 -6.186 5.021 8.584 284 3HB ALA 37 3HB ALA 37 -6.482 3.489 9.406 285 HA PRO 38 HA PRO 38 -3.178 6.887 10.725 286 1HB PRO 38 1HB PRO 38 -2.436 5.998 13.194 287 2HB PRO 38 2HB PRO 38 -4.086 6.492 12.791 288 1HG PRO 38 1HG PRO 38 -2.933 3.761 13.057 289 2HG PRO 38 2HG PRO 38 -4.550 4.346 13.476 290 1HD PRO 38 1HD PRO 38 -3.948 2.910 11.219 291 2HD PRO 38 2HD PRO 38 -5.348 3.976 11.368 292 H MET 39 H MET 39 -1.562 3.734 11.131 293 HA MET 39 HA MET 39 1.027 4.765 11.480 294 1HB MET 39 1HB MET 39 -0.125 2.135 10.640 295 2HB MET 39 2HB MET 39 1.592 2.416 10.472 296 1HG MET 39 1HG MET 39 1.208 1.307 12.539 297 2HG MET 39 2HG MET 39 1.699 2.962 12.881 298 1HE MET 39 1HE MET 39 0.717 1.271 14.966 299 2HE MET 39 2HE MET 39 -0.839 1.719 15.663 300 3HE MET 39 3HE MET 39 0.464 2.906 15.578 301 H ILE 40 H ILE 40 -0.568 3.385 8.606 302 HA ILE 40 HA ILE 40 1.321 3.794 6.684 303 HB ILE 40 HB ILE 40 -1.672 4.194 6.479 304 1HG1 ILE 40 1HG1 ILE 40 0.145 1.896 5.719 305 2HG1 ILE 40 2HG1 ILE 40 -0.968 1.944 7.077 306 1HG2 ILE 40 1HG2 ILE 40 -0.660 5.420 4.660 307 2HG2 ILE 40 2HG2 ILE 40 -1.369 3.932 4.030 308 3HG2 ILE 40 3HG2 ILE 40 0.376 4.048 4.262 309 1HD1 ILE 40 1HD1 ILE 40 -2.801 1.593 5.767 310 2HD1 ILE 40 2HD1 ILE 40 -1.584 0.761 4.798 311 3HD1 ILE 40 3HD1 ILE 40 -2.081 2.396 4.373 312 H GLU 41 H GLU 41 -0.578 6.189 8.335 313 HA GLU 41 HA GLU 41 0.077 8.340 6.535 314 1HB GLU 41 1HB GLU 41 -2.037 8.340 7.754 315 2HB GLU 41 2HB GLU 41 -1.178 8.332 9.287 316 1HG GLU 41 1HG GLU 41 -0.238 10.536 8.753 317 2HG GLU 41 2HG GLU 41 -1.133 10.540 7.233 318 H LYS 42 H LYS 42 1.133 7.220 9.721 319 HA LYS 42 HA LYS 42 2.823 9.353 10.365 320 1HB LYS 42 1HB LYS 42 3.042 6.434 11.115 321 2HB LYS 42 2HB LYS 42 3.973 7.724 11.858 322 1HG LYS 42 1HG LYS 42 1.922 8.751 12.665 323 2HG LYS 42 2HG LYS 42 0.980 7.468 11.905 324 1HD LYS 42 1HD LYS 42 2.112 5.810 13.311 325 2HD LYS 42 2HD LYS 42 3.040 7.102 14.077 326 1HE LYS 42 1HE LYS 42 0.969 8.110 14.879 327 2HE LYS 42 2HE LYS 42 0.043 6.821 14.112 328 1HZ LYS 42 1HZ LYS 42 1.593 6.782 16.569 329 2HZ LYS 42 2HZ LYS 42 1.716 5.398 15.603 330 3HZ LYS 42 3HZ LYS 42 0.201 5.915 16.152 331 H PHE 43 H PHE 43 3.314 6.588 8.277 332 HA PHE 43 HA PHE 43 6.144 6.920 8.058 333 1HB PHE 43 1HB PHE 43 4.155 5.358 6.412 334 2HB PHE 43 2HB PHE 43 5.882 5.368 6.076 335 HD1 PHE 43 HD1 PHE 43 3.601 4.839 8.995 336 HD2 PHE 43 HD2 PHE 43 7.109 3.631 6.905 337 HE1 PHE 43 HE1 PHE 43 3.933 3.018 10.614 338 HE2 PHE 43 HE2 PHE 43 7.443 1.805 8.520 339 HZ PHE 43 HZ PHE 43 5.855 1.496 10.376 340 H SER 44 H SER 44 3.463 8.504 6.678 341 HA SER 44 HA SER 44 4.643 9.264 4.201 342 1HB SER 44 1HB SER 44 2.212 9.305 4.531 343 2HB SER 44 2HB SER 44 2.394 10.564 5.766 344 HG SER 44 HG SER 44 2.132 10.890 3.167 345 H GLU 45 H GLU 45 5.316 10.170 7.372 346 HA GLU 45 HA GLU 45 6.098 12.892 6.747 347 1HB GLU 45 1HB GLU 45 6.238 11.228 9.257 348 2HB GLU 45 2HB GLU 45 6.955 12.829 9.148 349 1HG GLU 45 1HG GLU 45 4.781 12.929 10.201 350 2HG GLU 45 2HG GLU 45 4.766 13.786 8.661 351 H GLN 46 H GLN 46 7.525 9.747 6.919 352 HA GLN 46 HA GLN 46 10.236 10.798 7.007 353 1HB GLN 46 1HB GLN 46 9.206 7.964 6.833 354 2HB GLN 46 2HB GLN 46 10.902 8.411 6.977 355 1HG GLN 46 1HG GLN 46 10.444 9.463 9.128 356 2HG GLN 46 2HG GLN 46 8.746 9.011 8.986 357 1HE2 GLN 46 1HE2 GLN 46 8.230 7.320 10.154 358 2HE2 GLN 46 2HE2 GLN 46 9.260 5.959 10.508 359 H TYR 47 H TYR 47 8.012 9.326 4.713 360 HA TYR 47 HA TYR 47 10.005 9.814 2.596 361 1HB TYR 47 1HB TYR 47 7.915 7.631 2.670 362 2HB TYR 47 2HB TYR 47 9.072 7.910 1.373 363 HD1 TYR 47 HD1 TYR 47 11.598 7.851 2.086 364 HD2 TYR 47 HD2 TYR 47 8.430 6.119 4.333 365 HE1 TYR 47 HE1 TYR 47 13.214 6.387 3.222 366 HE2 TYR 47 HE2 TYR 47 10.035 4.641 5.472 367 HH TYR 47 HH TYR 47 13.058 5.088 5.758 368 HA PRO 48 HA PRO 48 5.753 12.234 2.305 369 1HB PRO 48 1HB PRO 48 7.917 14.209 1.718 370 2HB PRO 48 2HB PRO 48 6.348 14.466 2.490 371 1HG PRO 48 1HG PRO 48 8.611 14.276 3.923 372 2HG PRO 48 2HG PRO 48 7.061 13.663 4.525 373 1HD PRO 48 1HD PRO 48 9.441 12.176 3.630 374 2HD PRO 48 2HD PRO 48 8.086 11.641 4.646 375 H GLN 49 H GLN 49 8.699 11.971 0.433 376 HA GLN 49 HA GLN 49 7.738 12.939 -2.018 377 1HB GLN 49 1HB GLN 49 9.876 10.871 -1.471 378 2HB GLN 49 2HB GLN 49 9.600 11.630 -3.034 379 1HG GLN 49 1HG GLN 49 10.358 13.079 -0.506 380 2HG GLN 49 2HG GLN 49 11.473 12.622 -1.790 381 1HE2 GLN 49 1HE2 GLN 49 8.861 13.339 -3.517 382 2HE2 GLN 49 2HE2 GLN 49 9.081 15.033 -3.750 383 H ALA 50 H ALA 50 7.607 9.753 -0.548 384 HA ALA 50 HA ALA 50 6.330 8.602 -2.892 385 1HB ALA 50 1HB ALA 50 6.219 6.613 -1.114 386 2HB ALA 50 2HB ALA 50 7.524 7.555 -0.393 387 3HB ALA 50 3HB ALA 50 7.668 6.974 -2.052 388 H ASP 51 H ASP 51 4.234 7.735 -2.900 389 HA ASP 51 HA ASP 51 2.392 9.105 -1.111 390 1HB ASP 51 1HB ASP 51 1.859 7.370 -3.534 391 2HB ASP 51 2HB ASP 51 0.642 8.279 -2.644 392 H PHE 52 H PHE 52 0.816 8.046 0.138 393 HA PHE 52 HA PHE 52 1.320 5.183 0.601 394 1HB PHE 52 1HB PHE 52 0.835 7.345 2.656 395 2HB PHE 52 2HB PHE 52 0.772 5.614 3.016 396 HD1 PHE 52 HD1 PHE 52 3.080 7.983 1.265 397 HD2 PHE 52 HD2 PHE 52 2.638 4.747 3.992 398 HE1 PHE 52 HE1 PHE 52 5.513 7.968 1.636 399 HE2 PHE 52 HE2 PHE 52 5.068 4.728 4.372 400 HZ PHE 52 HZ PHE 52 6.509 6.340 3.193 401 H TYR 53 H TYR 53 -0.435 4.652 -0.746 402 HA TYR 53 HA TYR 53 -3.088 5.496 0.167 403 1HB TYR 53 1HB TYR 53 -2.091 4.241 -2.377 404 2HB TYR 53 2HB TYR 53 -3.802 4.221 -1.963 405 HD1 TYR 53 HD1 TYR 53 -4.825 6.566 -1.340 406 HD2 TYR 53 HD2 TYR 53 -1.262 6.020 -3.603 407 HE1 TYR 53 HE1 TYR 53 -5.084 8.818 -2.285 408 HE2 TYR 53 HE2 TYR 53 -1.511 8.273 -4.552 409 HH TYR 53 HH TYR 53 -4.217 9.963 -4.590 410 H LYS 54 H LYS 54 -4.716 3.497 -0.414 411 HA LYS 54 HA LYS 54 -3.646 1.031 0.700 412 1HB LYS 54 1HB LYS 54 -5.961 2.506 1.959 413 2HB LYS 54 2HB LYS 54 -5.368 0.921 2.438 414 1HG LYS 54 1HG LYS 54 -3.223 1.895 3.047 415 2HG LYS 54 2HG LYS 54 -3.801 3.487 2.564 416 1HD LYS 54 1HD LYS 54 -5.014 1.806 4.757 417 2HD LYS 54 2HD LYS 54 -3.864 3.114 5.013 418 1HE LYS 54 1HE LYS 54 -5.985 4.050 5.403 419 2HE LYS 54 2HE LYS 54 -5.500 4.614 3.806 420 1HZ LYS 54 1HZ LYS 54 -7.251 3.647 2.895 421 2HZ LYS 54 2HZ LYS 54 -7.840 3.358 4.454 422 3HZ LYS 54 3HZ LYS 54 -6.943 2.168 3.655 423 H LEU 55 H LEU 55 -4.567 -0.738 -0.129 424 HA LEU 55 HA LEU 55 -6.637 -0.366 -2.132 425 1HB LEU 55 1HB LEU 55 -4.518 -1.681 -2.524 426 2HB LEU 55 2HB LEU 55 -5.146 -2.884 -1.420 427 HG LEU 55 HG LEU 55 -5.450 -3.440 -3.830 428 1HD1 LEU 55 1HD1 LEU 55 -7.245 -4.654 -3.307 429 2HD1 LEU 55 2HD1 LEU 55 -8.219 -3.230 -2.934 430 3HD1 LEU 55 3HD1 LEU 55 -7.124 -3.894 -1.721 431 1HD2 LEU 55 1HD2 LEU 55 -6.597 -2.151 -5.275 432 2HD2 LEU 55 2HD2 LEU 55 -6.148 -0.862 -4.158 433 3HD2 LEU 55 3HD2 LEU 55 -7.742 -1.608 -4.048 434 H ASP 56 H ASP 56 -8.655 -1.209 -2.075 435 HA ASP 56 HA ASP 56 -9.572 -2.166 0.525 436 1HB ASP 56 1HB ASP 56 -10.736 -0.262 -0.615 437 2HB ASP 56 2HB ASP 56 -11.216 -1.379 -1.891 438 H VAL 57 H VAL 57 -9.240 -4.333 0.697 439 HA VAL 57 HA VAL 57 -9.535 -6.152 -1.469 440 HB VAL 57 HB VAL 57 -9.416 -6.621 1.519 441 1HG1 VAL 57 1HG1 VAL 57 -10.620 -8.475 0.550 442 2HG1 VAL 57 2HG1 VAL 57 -8.980 -8.999 0.930 443 3HG1 VAL 57 3HG1 VAL 57 -9.425 -8.632 -0.737 444 1HG2 VAL 57 1HG2 VAL 57 -7.390 -5.715 0.418 445 2HG2 VAL 57 2HG2 VAL 57 -7.377 -7.114 -0.654 446 3HG2 VAL 57 3HG2 VAL 57 -7.146 -7.330 1.082 447 H ASP 58 H ASP 58 -11.777 -4.517 0.446 448 HA ASP 58 HA ASP 58 -13.857 -6.531 0.307 449 1HB ASP 58 1HB ASP 58 -13.621 -4.957 2.252 450 2HB ASP 58 2HB ASP 58 -14.054 -3.639 1.174 451 H GLU 59 H GLU 59 -12.837 -3.633 -1.346 452 HA GLU 59 HA GLU 59 -15.216 -3.700 -3.055 453 1HB GLU 59 1HB GLU 59 -14.639 -1.556 -1.981 454 2HB GLU 59 2HB GLU 59 -13.074 -1.576 -2.785 455 1HG GLU 59 1HG GLU 59 -14.561 -0.106 -3.965 456 2HG GLU 59 2HG GLU 59 -14.229 -1.518 -4.963 457 H LEU 60 H LEU 60 -11.671 -3.388 -3.323 458 HA LEU 60 HA LEU 60 -11.823 -4.172 -6.129 459 1HB LEU 60 1HB LEU 60 -9.536 -3.196 -4.425 460 2HB LEU 60 2HB LEU 60 -9.352 -3.705 -6.091 461 HG LEU 60 HG LEU 60 -10.890 -1.910 -6.798 462 1HD1 LEU 60 1HD1 LEU 60 -11.144 -0.093 -4.917 463 2HD1 LEU 60 2HD1 LEU 60 -11.062 -1.502 -3.860 464 3HD1 LEU 60 3HD1 LEU 60 -12.317 -1.397 -5.094 465 1HD2 LEU 60 1HD2 LEU 60 -8.273 -1.711 -6.233 466 2HD2 LEU 60 2HD2 LEU 60 -8.907 -0.450 -5.176 467 3HD2 LEU 60 3HD2 LEU 60 -9.225 -0.390 -6.909 468 H GLY 61 H GLY 61 -12.623 -6.264 -4.703 469 1HA GLY 61 1HA GLY 61 -10.681 -8.000 -3.677 470 2HA GLY 61 2HA GLY 61 -12.230 -8.496 -4.342 471 H ASP 62 H ASP 62 -11.334 -7.108 -6.935 472 HA ASP 62 HA ASP 62 -10.306 -9.455 -8.171 473 1HB ASP 62 1HB ASP 62 -10.678 -6.703 -9.266 474 2HB ASP 62 2HB ASP 62 -10.311 -8.120 -10.230 475 H VAL 63 H VAL 63 -8.910 -6.493 -6.984 476 HA VAL 63 HA VAL 63 -6.408 -6.851 -8.361 477 HB VAL 63 HB VAL 63 -6.841 -5.072 -5.964 478 1HG1 VAL 63 1HG1 VAL 63 -4.578 -5.614 -7.328 479 2HG1 VAL 63 2HG1 VAL 63 -4.895 -4.078 -6.522 480 3HG1 VAL 63 3HG1 VAL 63 -5.186 -4.241 -8.254 481 1HG2 VAL 63 1HG2 VAL 63 -7.388 -4.334 -8.836 482 2HG2 VAL 63 2HG2 VAL 63 -7.589 -3.311 -7.414 483 3HG2 VAL 63 3HG2 VAL 63 -8.638 -4.706 -7.650 484 H ALA 64 H ALA 64 -7.531 -7.244 -4.992 485 HA ALA 64 HA ALA 64 -5.118 -8.155 -3.873 486 1HB ALA 64 1HB ALA 64 -7.583 -7.681 -2.886 487 2HB ALA 64 2HB ALA 64 -6.343 -8.589 -2.020 488 3HB ALA 64 3HB ALA 64 -7.598 -9.444 -2.918 489 H GLN 65 H GLN 65 -7.391 -9.654 -6.008 490 HA GLN 65 HA GLN 65 -6.324 -12.326 -5.583 491 1HB GLN 65 1HB GLN 65 -8.733 -12.070 -5.914 492 2HB GLN 65 2HB GLN 65 -8.454 -11.311 -7.475 493 1HG GLN 65 1HG GLN 65 -7.468 -13.389 -8.306 494 2HG GLN 65 2HG GLN 65 -7.761 -14.149 -6.741 495 1HE2 GLN 65 1HE2 GLN 65 -9.469 -15.401 -6.720 496 2HE2 GLN 65 2HE2 GLN 65 -10.916 -15.180 -7.639 497 H LYS 66 H LYS 66 -6.320 -9.780 -8.051 498 HA LYS 66 HA LYS 66 -5.071 -11.256 -10.083 499 1HB LYS 66 1HB LYS 66 -4.763 -9.238 -11.224 500 2HB LYS 66 2HB LYS 66 -6.186 -8.950 -10.240 501 1HG LYS 66 1HG LYS 66 -5.037 -7.013 -9.914 502 2HG LYS 66 2HG LYS 66 -4.469 -7.968 -8.553 503 1HD LYS 66 1HD LYS 66 -2.612 -6.823 -9.625 504 2HD LYS 66 2HD LYS 66 -2.450 -8.566 -9.814 505 1HE LYS 66 1HE LYS 66 -3.333 -8.413 -12.083 506 2HE LYS 66 2HE LYS 66 -3.549 -6.674 -11.889 507 1HZ LYS 66 1HZ LYS 66 -1.291 -6.299 -11.959 508 2HZ LYS 66 2HZ LYS 66 -1.452 -7.569 -13.066 509 3HZ LYS 66 3HZ LYS 66 -0.890 -7.879 -11.501 510 H ASN 67 H ASN 67 -3.735 -9.344 -7.432 511 HA ASN 67 HA ASN 67 -1.019 -9.912 -8.215 512 1HB ASN 67 1HB ASN 67 -2.237 -8.486 -5.842 513 2HB ASN 67 2HB ASN 67 -0.503 -8.654 -6.118 514 1HD2 ASN 67 1HD2 ASN 67 -3.002 -6.609 -6.414 515 2HD2 ASN 67 2HD2 ASN 67 -2.436 -5.623 -7.736 516 H GLU 68 H GLU 68 -3.362 -11.710 -6.821 517 HA GLU 68 HA GLU 68 -3.415 -13.611 -5.593 518 1HB GLU 68 1HB GLU 68 -0.423 -13.554 -6.018 519 2HB GLU 68 2HB GLU 68 -1.348 -14.939 -5.450 520 1HG GLU 68 1HG GLU 68 -1.669 -13.604 -8.127 521 2HG GLU 68 2HG GLU 68 -0.791 -15.106 -7.825 522 H VAL 69 H VAL 69 -3.400 -11.179 -4.151 523 HA VAL 69 HA VAL 69 -1.791 -11.884 -1.783 524 HB VAL 69 HB VAL 69 -3.051 -9.218 -2.440 525 1HG1 VAL 69 1HG1 VAL 69 -0.986 -9.853 -0.342 526 2HG1 VAL 69 2HG1 VAL 69 -2.718 -9.809 -0.013 527 3HG1 VAL 69 3HG1 VAL 69 -1.891 -8.355 -0.563 528 1HG2 VAL 69 1HG2 VAL 69 -0.717 -8.478 -2.840 529 2HG2 VAL 69 2HG2 VAL 69 -1.280 -9.672 -4.011 530 3HG2 VAL 69 3HG2 VAL 69 -0.197 -10.159 -2.707 531 H SER 70 H SER 70 -2.984 -13.090 -0.446 532 HA SER 70 HA SER 70 -5.700 -12.151 0.195 533 1HB SER 70 1HB SER 70 -6.349 -14.497 0.592 534 2HB SER 70 2HB SER 70 -5.814 -14.245 -1.079 535 HG SER 70 HG SER 70 -4.771 -16.048 -0.407 536 H ALA 71 H ALA 71 -2.949 -11.742 1.425 537 HA ALA 71 HA ALA 71 -2.969 -13.129 3.920 538 1HB ALA 71 1HB ALA 71 -1.024 -11.983 4.418 539 2HB ALA 71 2HB ALA 71 -1.502 -10.560 3.492 540 3HB ALA 71 3HB ALA 71 -0.993 -12.026 2.656 541 H MET 72 H MET 72 -2.318 -10.658 5.512 542 HA MET 72 HA MET 72 -4.568 -8.964 5.575 543 1HB MET 72 1HB MET 72 -5.625 -9.863 7.656 544 2HB MET 72 2HB MET 72 -5.837 -10.882 6.238 545 1HG MET 72 1HG MET 72 -4.186 -12.418 6.999 546 2HG MET 72 2HG MET 72 -3.701 -11.341 8.304 547 1HE MET 72 1HE MET 72 -3.678 -13.519 9.410 548 2HE MET 72 2HE MET 72 -4.929 -14.704 9.032 549 3HE MET 72 3HE MET 72 -4.953 -13.858 10.579 550 HA PRO 73 HA PRO 73 -3.643 -7.381 5.035 551 1HB PRO 73 1HB PRO 73 -2.339 -5.111 5.033 552 2HB PRO 73 2HB PRO 73 -3.579 -5.367 6.277 553 1HG PRO 73 1HG PRO 73 -0.602 -5.672 6.484 554 2HG PRO 73 2HG PRO 73 -1.710 -4.839 7.582 555 1HD PRO 73 1HD PRO 73 -0.809 -7.446 7.908 556 2HD PRO 73 2HD PRO 73 -2.269 -6.766 8.663 557 H THR 74 H THR 74 -1.830 -5.894 3.505 558 HA THR 74 HA THR 74 0.621 -7.414 3.186 559 HB THR 74 HB THR 74 -1.423 -7.242 0.962 560 HG1 THR 74 HG1 THR 74 -2.095 -8.984 1.930 561 1HG2 THR 74 1HG2 THR 74 0.105 -7.881 -0.517 562 2HG2 THR 74 2HG2 THR 74 0.795 -9.071 0.589 563 3HG2 THR 74 3HG2 THR 74 1.307 -7.389 0.674 564 H LEU 75 H LEU 75 2.212 -6.282 2.020 565 HA LEU 75 HA LEU 75 1.511 -3.486 1.416 566 1HB LEU 75 1HB LEU 75 4.194 -4.621 2.195 567 2HB LEU 75 2HB LEU 75 3.846 -2.934 1.879 568 HG LEU 75 HG LEU 75 2.781 -4.582 4.173 569 1HD1 LEU 75 1HD1 LEU 75 4.965 -2.597 3.844 570 2HD1 LEU 75 2HD1 LEU 75 4.898 -4.057 4.832 571 3HD1 LEU 75 3HD1 LEU 75 4.051 -2.600 5.352 572 1HD2 LEU 75 1HD2 LEU 75 1.102 -2.990 3.386 573 2HD2 LEU 75 2HD2 LEU 75 2.286 -1.688 3.481 574 3HD2 LEU 75 3HD2 LEU 75 1.756 -2.507 4.950 575 H LEU 76 H LEU 76 1.583 -2.903 -0.644 576 HA LEU 76 HA LEU 76 3.368 -4.379 -2.467 577 1HB LEU 76 1HB LEU 76 0.640 -3.213 -3.049 578 2HB LEU 76 2HB LEU 76 1.719 -3.886 -4.272 579 HG LEU 76 HG LEU 76 0.276 -5.337 -2.063 580 1HD1 LEU 76 1HD1 LEU 76 -1.101 -6.045 -3.656 581 2HD1 LEU 76 2HD1 LEU 76 0.233 -6.456 -4.735 582 3HD1 LEU 76 3HD1 LEU 76 -0.391 -4.807 -4.691 583 1HD2 LEU 76 1HD2 LEU 76 2.387 -6.341 -1.955 584 2HD2 LEU 76 2HD2 LEU 76 2.632 -6.221 -3.698 585 3HD2 LEU 76 3HD2 LEU 76 1.469 -7.377 -3.048 586 H LEU 77 H LEU 77 4.837 -3.194 -3.525 587 HA LEU 77 HA LEU 77 4.540 -0.266 -3.441 588 1HB LEU 77 1HB LEU 77 7.041 -1.946 -3.643 589 2HB LEU 77 2HB LEU 77 7.003 -0.194 -3.682 590 HG LEU 77 HG LEU 77 6.076 -0.189 -1.383 591 1HD1 LEU 77 1HD1 LEU 77 6.261 -3.138 -1.776 592 2HD1 LEU 77 2HD1 LEU 77 4.988 -2.180 -1.021 593 3HD1 LEU 77 3HD1 LEU 77 6.506 -2.458 -0.167 594 1HD2 LEU 77 1HD2 LEU 77 8.206 -1.142 -0.308 595 2HD2 LEU 77 2HD2 LEU 77 8.373 0.182 -1.462 596 3HD2 LEU 77 3HD2 LEU 77 8.719 -1.473 -1.962 597 H PHE 78 H PHE 78 4.924 0.958 -5.281 598 HA PHE 78 HA PHE 78 5.471 -0.421 -7.809 599 1HB PHE 78 1HB PHE 78 3.039 1.337 -7.387 600 2HB PHE 78 2HB PHE 78 3.476 0.496 -8.865 601 HD1 PHE 78 HD1 PHE 78 3.640 -2.104 -8.689 602 HD2 PHE 78 HD2 PHE 78 1.567 0.365 -5.912 603 HE1 PHE 78 HE1 PHE 78 2.316 -4.045 -7.956 604 HE2 PHE 78 HE2 PHE 78 0.240 -1.571 -5.175 605 HZ PHE 78 HZ PHE 78 0.609 -3.775 -6.196 606 H LYS 79 H LYS 79 6.857 0.821 -9.055 607 HA LYS 79 HA LYS 79 6.888 3.719 -8.449 608 1HB LYS 79 1HB LYS 79 9.167 1.916 -9.238 609 2HB LYS 79 2HB LYS 79 9.260 3.664 -9.352 610 1HG LYS 79 1HG LYS 79 8.734 3.784 -6.920 611 2HG LYS 79 2HG LYS 79 8.862 2.027 -6.860 612 1HD LYS 79 1HD LYS 79 10.953 2.922 -6.140 613 2HD LYS 79 2HD LYS 79 11.193 2.253 -7.753 614 1HE LYS 79 1HE LYS 79 10.604 5.164 -7.284 615 2HE LYS 79 2HE LYS 79 12.243 4.519 -7.269 616 1HZ LYS 79 1HZ LYS 79 11.174 3.541 -9.575 617 2HZ LYS 79 2HZ LYS 79 12.212 4.870 -9.450 618 3HZ LYS 79 3HZ LYS 79 10.539 5.109 -9.492 619 H ASN 80 H ASN 80 6.690 5.176 -10.058 620 HA ASN 80 HA ASN 80 6.011 5.972 -12.085 621 1HB ASN 80 1HB ASN 80 8.143 4.039 -13.017 622 2HB ASN 80 2HB ASN 80 7.481 5.360 -13.973 623 1HD2 ASN 80 1HD2 ASN 80 8.743 7.057 -14.042 624 2HD2 ASN 80 2HD2 ASN 80 9.793 7.606 -12.784 625 H GLY 81 H GLY 81 4.042 4.473 -11.437 626 1HA GLY 81 1HA GLY 81 2.334 3.118 -12.130 627 2HA GLY 81 2HA GLY 81 2.822 3.599 -13.750 628 H LYS 82 H LYS 82 5.070 1.890 -11.763 629 HA LYS 82 HA LYS 82 4.488 -0.606 -13.205 630 1HB LYS 82 1HB LYS 82 7.215 0.591 -12.661 631 2HB LYS 82 2HB LYS 82 6.940 -1.011 -13.325 632 1HG LYS 82 1HG LYS 82 5.867 -0.038 -15.279 633 2HG LYS 82 2HG LYS 82 6.121 1.576 -14.618 634 1HD LYS 82 1HD LYS 82 8.287 -0.397 -15.335 635 2HD LYS 82 2HD LYS 82 7.818 1.010 -16.291 636 1HE LYS 82 1HE LYS 82 8.449 2.471 -14.419 637 2HE LYS 82 2HE LYS 82 8.943 1.055 -13.492 638 1HZ LYS 82 1HZ LYS 82 10.618 0.584 -15.162 639 2HZ LYS 82 2HZ LYS 82 10.830 2.141 -14.540 640 3HZ LYS 82 3HZ LYS 82 10.136 1.930 -16.066 641 H GLU 83 H GLU 83 6.602 -2.032 -11.902 642 HA GLU 83 HA GLU 83 5.469 -2.187 -9.196 643 1HB GLU 83 1HB GLU 83 5.143 -4.162 -10.661 644 2HB GLU 83 2HB GLU 83 6.880 -4.296 -10.855 645 1HG GLU 83 1HG GLU 83 7.170 -4.933 -8.595 646 2HG GLU 83 2HG GLU 83 5.503 -4.516 -8.192 647 H VAL 84 H VAL 84 7.242 -3.337 -7.683 648 HA VAL 84 HA VAL 84 9.959 -2.642 -8.179 649 HB VAL 84 HB VAL 84 10.133 -1.132 -6.141 650 1HG1 VAL 84 1HG1 VAL 84 10.183 0.675 -7.496 651 2HG1 VAL 84 2HG1 VAL 84 8.611 0.331 -8.211 652 3HG1 VAL 84 3HG1 VAL 84 10.036 -0.565 -8.737 653 1HG2 VAL 84 1HG2 VAL 84 7.710 0.196 -6.281 654 2HG2 VAL 84 2HG2 VAL 84 8.269 -0.845 -4.971 655 3HG2 VAL 84 3HG2 VAL 84 7.268 -1.509 -6.260 656 H ALA 85 H ALA 85 7.567 -3.309 -5.604 657 HA ALA 85 HA ALA 85 8.912 -5.699 -4.861 658 1HB ALA 85 1HB ALA 85 9.574 -4.964 -2.563 659 2HB ALA 85 2HB ALA 85 9.315 -3.300 -3.088 660 3HB ALA 85 3HB ALA 85 10.551 -4.290 -3.867 661 H LYS 86 H LYS 86 7.863 -6.862 -3.194 662 HA LYS 86 HA LYS 86 5.332 -5.754 -2.223 663 1HB LYS 86 1HB LYS 86 4.176 -7.874 -2.774 664 2HB LYS 86 2HB LYS 86 4.715 -7.003 -4.201 665 1HG LYS 86 1HG LYS 86 6.651 -8.503 -4.371 666 2HG LYS 86 2HG LYS 86 6.069 -9.391 -2.963 667 1HD LYS 86 1HD LYS 86 4.598 -9.066 -5.576 668 2HD LYS 86 2HD LYS 86 5.460 -10.515 -5.051 669 1HE LYS 86 1HE LYS 86 3.944 -10.705 -3.132 670 2HE LYS 86 2HE LYS 86 3.080 -9.269 -3.676 671 1HZ LYS 86 1HZ LYS 86 3.377 -11.624 -5.432 672 2HZ LYS 86 2HZ LYS 86 2.231 -10.383 -5.511 673 3HZ LYS 86 3HZ LYS 86 2.134 -11.544 -4.286 674 H VAL 87 H VAL 87 5.442 -5.868 -0.091 675 HA VAL 87 HA VAL 87 6.657 -8.262 1.130 676 HB VAL 87 HB VAL 87 6.671 -5.461 2.270 677 1HG1 VAL 87 1HG1 VAL 87 6.826 -6.683 4.170 678 2HG1 VAL 87 2HG1 VAL 87 8.518 -6.785 3.684 679 3HG1 VAL 87 3HG1 VAL 87 7.417 -8.117 3.332 680 1HG2 VAL 87 1HG2 VAL 87 8.286 -5.227 0.689 681 2HG2 VAL 87 2HG2 VAL 87 8.605 -6.958 0.598 682 3HG2 VAL 87 3HG2 VAL 87 9.258 -6.012 1.934 683 H VAL 88 H VAL 88 4.534 -9.215 1.141 684 HA VAL 88 HA VAL 88 2.227 -8.172 2.217 685 HB VAL 88 HB VAL 88 2.256 -10.330 1.109 686 1HG1 VAL 88 1HG1 VAL 88 3.794 -11.858 1.586 687 2HG1 VAL 88 2HG1 VAL 88 3.084 -12.077 3.185 688 3HG1 VAL 88 3HG1 VAL 88 4.361 -10.884 2.943 689 1HG2 VAL 88 1HG2 VAL 88 0.345 -10.670 2.178 690 2HG2 VAL 88 2HG2 VAL 88 0.927 -9.785 3.589 691 3HG2 VAL 88 3HG2 VAL 88 1.232 -11.517 3.445 692 H GLY 89 H GLY 89 2.501 -6.889 4.002 693 1HA GLY 89 1HA GLY 89 1.993 -7.180 6.424 694 2HA GLY 89 2HA GLY 89 3.370 -8.272 6.466 695 H ALA 90 H ALA 90 2.542 -5.443 7.581 696 HA ALA 90 HA ALA 90 4.926 -3.955 6.772 697 1HB ALA 90 1HB ALA 90 3.819 -2.065 7.305 698 2HB ALA 90 2HB ALA 90 3.114 -2.764 8.762 699 3HB ALA 90 3HB ALA 90 2.395 -3.098 7.188 700 H ASN 91 H ASN 91 5.280 -6.305 8.321 701 HA ASN 91 HA ASN 91 5.609 -5.864 11.065 702 1HB ASN 91 1HB ASN 91 5.710 -8.090 9.999 703 2HB ASN 91 2HB ASN 91 7.219 -7.646 9.217 704 1HD2 ASN 91 1HD2 ASN 91 7.061 -6.352 12.332 705 2HD2 ASN 91 2HD2 ASN 91 7.981 -7.559 13.143 706 HA PRO 92 HA PRO 92 8.557 -2.407 10.907 707 1HB PRO 92 1HB PRO 92 9.060 -3.819 13.514 708 2HB PRO 92 2HB PRO 92 9.060 -2.084 13.168 709 1HG PRO 92 1HG PRO 92 6.918 -3.263 14.242 710 2HG PRO 92 2HG PRO 92 6.755 -1.969 13.040 711 1HD PRO 92 1HD PRO 92 6.176 -4.841 12.778 712 2HD PRO 92 2HD PRO 92 5.608 -3.485 11.791 713 H ALA 93 H ALA 93 9.842 -3.323 9.230 714 HA ALA 93 HA ALA 93 12.472 -3.878 9.852 715 1HB ALA 93 1HB ALA 93 12.447 -5.992 10.563 716 2HB ALA 93 2HB ALA 93 12.098 -6.442 8.894 717 3HB ALA 93 3HB ALA 93 10.779 -6.231 10.045 718 H ALA 94 H ALA 94 9.806 -4.328 7.616 719 HA ALA 94 HA ALA 94 11.693 -3.883 5.404 720 1HB ALA 94 1HB ALA 94 10.866 -6.170 5.319 721 2HB ALA 94 2HB ALA 94 10.256 -5.236 3.954 722 3HB ALA 94 3HB ALA 94 9.203 -5.580 5.326 723 H ILE 95 H ILE 95 8.343 -3.413 6.499 724 HA ILE 95 HA ILE 95 7.394 -1.822 4.469 725 HB ILE 95 HB ILE 95 5.949 -2.499 6.257 726 1HG1 ILE 95 1HG1 ILE 95 4.800 -0.414 6.795 727 2HG1 ILE 95 2HG1 ILE 95 6.232 0.511 6.353 728 1HG2 ILE 95 1HG2 ILE 95 6.308 -1.034 8.468 729 2HG2 ILE 95 2HG2 ILE 95 7.983 -1.186 7.937 730 3HG2 ILE 95 3HG2 ILE 95 7.018 -2.631 8.237 731 1HD1 ILE 95 1HD1 ILE 95 5.107 0.745 4.423 732 2HD1 ILE 95 2HD1 ILE 95 4.170 -0.728 4.660 733 3HD1 ILE 95 3HD1 ILE 95 5.827 -0.823 4.064 734 H LYS 96 H LYS 96 9.945 -1.117 6.663 735 HA LYS 96 HA LYS 96 9.763 1.763 6.246 736 1HB LYS 96 1HB LYS 96 11.764 0.123 7.812 737 2HB LYS 96 2HB LYS 96 11.700 1.879 7.769 738 1HG LYS 96 1HG LYS 96 9.494 1.835 8.801 739 2HG LYS 96 2HG LYS 96 9.535 0.071 8.825 740 1HD LYS 96 1HD LYS 96 10.126 0.988 11.008 741 2HD LYS 96 2HD LYS 96 11.495 0.138 10.289 742 1HE LYS 96 1HE LYS 96 12.440 2.272 9.562 743 2HE LYS 96 2HE LYS 96 11.067 3.124 10.267 744 1HZ LYS 96 1HZ LYS 96 11.903 1.727 12.365 745 2HZ LYS 96 2HZ LYS 96 12.455 3.286 12.011 746 3HZ LYS 96 3HZ LYS 96 13.379 1.943 11.565 747 H GLN 97 H GLN 97 12.426 -0.594 5.982 748 HA GLN 97 HA GLN 97 14.008 0.999 4.311 749 1HB GLN 97 1HB GLN 97 13.970 -1.993 4.718 750 2HB GLN 97 2HB GLN 97 15.198 -1.155 3.779 751 1HG GLN 97 1HG GLN 97 16.073 -1.569 5.954 752 2HG GLN 97 2HG GLN 97 15.770 0.159 5.801 753 1HE2 GLN 97 1HE2 GLN 97 14.961 1.028 7.551 754 2HE2 GLN 97 2HE2 GLN 97 13.894 0.263 8.676 755 H ALA 98 H ALA 98 11.479 -1.320 3.601 756 HA ALA 98 HA ALA 98 11.945 -1.671 0.863 757 1HB ALA 98 1HB ALA 98 9.274 -1.635 2.267 758 2HB ALA 98 2HB ALA 98 10.359 -3.022 2.184 759 3HB ALA 98 3HB ALA 98 9.634 -2.383 0.711 760 H ILE 99 H ILE 99 10.460 0.929 2.645 761 HA ILE 99 HA ILE 99 9.511 2.249 0.231 762 HB ILE 99 HB ILE 99 9.382 3.109 3.128 763 1HG1 ILE 99 1HG1 ILE 99 7.267 1.972 1.284 764 2HG1 ILE 99 2HG1 ILE 99 8.036 1.116 2.616 765 1HG2 ILE 99 1HG2 ILE 99 7.694 4.750 2.283 766 2HG2 ILE 99 2HG2 ILE 99 8.194 4.337 0.644 767 3HG2 ILE 99 3HG2 ILE 99 9.347 5.070 1.759 768 1HD1 ILE 99 1HD1 ILE 99 5.747 2.000 3.082 769 2HD1 ILE 99 2HD1 ILE 99 6.423 3.624 2.976 770 3HD1 ILE 99 3HD1 ILE 99 6.993 2.513 4.221 771 H ALA 100 H ALA 100 12.375 2.108 2.009 772 HA ALA 100 HA ALA 100 13.180 4.847 1.453 773 1HB ALA 100 1HB ALA 100 14.846 4.564 2.971 774 2HB ALA 100 2HB ALA 100 15.117 2.878 2.526 775 3HB ALA 100 3HB ALA 100 13.745 3.311 3.546 776 H ALA 101 H ALA 101 14.815 1.723 0.941 777 HA ALA 101 HA ALA 101 16.584 2.575 -1.006 778 1HB ALA 101 1HB ALA 101 16.441 0.064 -1.731 779 2HB ALA 101 2HB ALA 101 15.451 -0.084 -0.279 780 3HB ALA 101 3HB ALA 101 17.108 0.506 -0.159 781 H ASN 102 H ASN 102 13.208 1.746 -1.311 782 HA ASN 102 HA ASN 102 13.298 1.561 -4.181 783 1HB ASN 102 1HB ASN 102 11.049 1.563 -2.168 784 2HB ASN 102 2HB ASN 102 10.803 1.423 -3.907 785 1HD2 ASN 102 1HD2 ASN 102 13.660 -0.109 -3.296 786 2HD2 ASN 102 2HD2 ASN 102 13.076 -1.715 -3.075 787 H ALA 103 H ALA 103 11.970 3.827 -1.782 788 HA ALA 103 HA ALA 103 10.907 5.681 -3.588 789 1HB ALA 103 1HB ALA 103 10.292 5.768 -1.273 790 2HB ALA 103 2HB ALA 103 11.066 7.295 -1.696 791 3HB ALA 103 3HB ALA 103 11.960 6.074 -0.792 Start of MODEL 7 1 1H MET 1 1H MET 1 -0.292 12.714 5.550 2 2H MET 1 2H MET 1 0.577 11.783 4.400 3 3H MET 1 3H MET 1 -0.199 11.012 5.722 4 HA MET 1 HA MET 1 -2.313 11.971 4.834 5 1HB MET 1 1HB MET 1 -1.240 13.581 3.336 6 2HB MET 1 2HB MET 1 -0.480 12.271 2.445 7 1HG MET 1 1HG MET 1 -2.392 13.144 1.244 8 2HG MET 1 2HG MET 1 -2.667 11.473 1.732 9 1HE MET 1 1HE MET 1 -5.785 11.851 1.669 10 2HE MET 1 2HE MET 1 -4.740 12.805 0.617 11 3HE MET 1 3HE MET 1 -5.977 13.602 1.588 12 H VAL 2 H VAL 2 -3.649 10.371 4.095 13 HA VAL 2 HA VAL 2 -2.586 8.102 2.643 14 HB VAL 2 HB VAL 2 -3.815 7.668 5.368 15 1HG1 VAL 2 1HG1 VAL 2 -3.216 5.327 5.014 16 2HG1 VAL 2 2HG1 VAL 2 -2.599 5.722 3.411 17 3HG1 VAL 2 3HG1 VAL 2 -4.318 5.899 3.762 18 1HG2 VAL 2 1HG2 VAL 2 -0.949 7.494 4.453 19 2HG2 VAL 2 2HG2 VAL 2 -1.543 6.798 5.962 20 3HG2 VAL 2 3HG2 VAL 2 -1.620 8.541 5.704 21 H THR 3 H THR 3 -4.165 6.923 1.577 22 HA THR 3 HA THR 3 -6.966 7.451 2.137 23 HB THR 3 HB THR 3 -5.721 8.122 -0.536 24 HG1 THR 3 HG1 THR 3 -5.868 10.135 0.064 25 1HG2 THR 3 1HG2 THR 3 -8.051 7.112 -0.603 26 2HG2 THR 3 2HG2 THR 3 -7.830 8.689 -1.363 27 3HG2 THR 3 3HG2 THR 3 -8.582 8.574 0.229 28 H GLN 4 H GLN 4 -8.374 5.913 1.295 29 HA GLN 4 HA GLN 4 -7.114 3.386 0.567 30 1HB GLN 4 1HB GLN 4 -10.044 3.962 1.021 31 2HB GLN 4 2HB GLN 4 -9.253 2.391 1.033 32 1HG GLN 4 1HG GLN 4 -8.051 2.977 3.050 33 2HG GLN 4 2HG GLN 4 -8.758 4.591 3.026 34 1HE2 GLN 4 1HE2 GLN 4 -8.946 1.721 4.504 35 2HE2 GLN 4 2HE2 GLN 4 -10.609 1.712 4.966 36 H PHE 5 H PHE 5 -8.787 2.074 -0.994 37 HA PHE 5 HA PHE 5 -9.424 3.795 -3.279 38 1HB PHE 5 1HB PHE 5 -7.802 1.250 -3.393 39 2HB PHE 5 2HB PHE 5 -8.517 2.025 -4.812 40 HD1 PHE 5 HD1 PHE 5 -8.015 4.888 -4.040 41 HD2 PHE 5 HD2 PHE 5 -5.521 1.437 -3.892 42 HE1 PHE 5 HE1 PHE 5 -6.029 6.319 -4.309 43 HE2 PHE 5 HE2 PHE 5 -3.536 2.865 -4.160 44 HZ PHE 5 HZ PHE 5 -3.788 5.303 -4.371 45 H LYS 6 H LYS 6 -11.255 3.317 -4.332 46 HA LYS 6 HA LYS 6 -12.723 0.919 -3.449 47 1HB LYS 6 1HB LYS 6 -13.795 3.582 -4.406 48 2HB LYS 6 2HB LYS 6 -14.786 2.182 -4.017 49 1HG LYS 6 1HG LYS 6 -13.011 3.675 -2.098 50 2HG LYS 6 2HG LYS 6 -14.769 3.789 -2.193 51 1HD LYS 6 1HD LYS 6 -14.948 1.410 -1.634 52 2HD LYS 6 2HD LYS 6 -13.189 1.301 -1.536 53 1HE LYS 6 1HE LYS 6 -14.176 1.509 0.683 54 2HE LYS 6 2HE LYS 6 -13.188 2.917 0.296 55 1HZ LYS 6 1HZ LYS 6 -16.149 2.778 0.107 56 2HZ LYS 6 2HZ LYS 6 -15.203 4.130 -0.263 57 3HZ LYS 6 3HZ LYS 6 -15.273 3.557 1.327 58 H THR 7 H THR 7 -11.752 2.884 -6.193 59 HA THR 7 HA THR 7 -12.657 0.713 -7.968 60 HB THR 7 HB THR 7 -12.515 3.630 -8.743 61 HG1 THR 7 HG1 THR 7 -14.800 3.567 -8.549 62 1HG2 THR 7 1HG2 THR 7 -14.354 2.536 -10.359 63 2HG2 THR 7 2HG2 THR 7 -13.275 1.158 -10.141 64 3HG2 THR 7 3HG2 THR 7 -12.647 2.680 -10.772 65 H ALA 8 H ALA 8 -11.397 0.672 -10.057 66 HA ALA 8 HA ALA 8 -8.599 0.697 -9.424 67 1HB ALA 8 1HB ALA 8 -8.549 0.045 -11.996 68 2HB ALA 8 2HB ALA 8 -10.256 -0.272 -11.687 69 3HB ALA 8 3HB ALA 8 -9.021 -1.111 -10.749 70 H SER 9 H SER 9 -10.787 2.720 -11.207 71 HA SER 9 HA SER 9 -8.960 4.153 -12.766 72 1HB SER 9 1HB SER 9 -11.385 4.326 -13.081 73 2HB SER 9 2HB SER 9 -11.545 5.106 -11.507 74 HG SER 9 HG SER 9 -10.356 6.848 -12.297 75 H GLU 10 H GLU 10 -9.377 4.078 -9.379 76 HA GLU 10 HA GLU 10 -8.243 6.698 -8.953 77 1HB GLU 10 1HB GLU 10 -9.053 4.570 -6.978 78 2HB GLU 10 2HB GLU 10 -8.518 6.192 -6.558 79 1HG GLU 10 1HG GLU 10 -10.445 7.133 -7.724 80 2HG GLU 10 2HG GLU 10 -10.981 5.508 -8.148 81 H PHE 11 H PHE 11 -7.471 3.412 -7.962 82 HA PHE 11 HA PHE 11 -4.846 3.998 -7.104 83 1HB PHE 11 1HB PHE 11 -6.258 1.998 -6.443 84 2HB PHE 11 2HB PHE 11 -5.867 1.302 -8.010 85 HD1 PHE 11 HD1 PHE 11 -5.158 -0.491 -6.180 86 HD2 PHE 11 HD2 PHE 11 -3.070 3.131 -6.991 87 HE1 PHE 11 HE1 PHE 11 -3.110 -1.457 -5.219 88 HE2 PHE 11 HE2 PHE 11 -1.021 2.165 -6.041 89 HZ PHE 11 HZ PHE 11 -1.040 -0.129 -5.151 90 H ASP 12 H ASP 12 -6.228 3.191 -10.196 91 HA ASP 12 HA ASP 12 -3.957 2.292 -11.553 92 1HB ASP 12 1HB ASP 12 -6.225 2.144 -12.488 93 2HB ASP 12 2HB ASP 12 -6.284 3.897 -12.637 94 H SER 13 H SER 13 -5.177 5.574 -11.028 95 HA SER 13 HA SER 13 -3.047 6.788 -12.534 96 1HB SER 13 1HB SER 13 -5.092 8.021 -10.671 97 2HB SER 13 2HB SER 13 -4.004 8.920 -11.726 98 HG SER 13 HG SER 13 -5.976 8.682 -12.756 99 H ALA 14 H ALA 14 -3.667 5.978 -9.200 100 HA ALA 14 HA ALA 14 -1.833 7.642 -7.918 101 1HB ALA 14 1HB ALA 14 -3.597 5.844 -7.044 102 2HB ALA 14 2HB ALA 14 -2.261 6.426 -6.050 103 3HB ALA 14 3HB ALA 14 -2.127 4.881 -6.890 104 H ILE 15 H ILE 15 -1.358 4.668 -9.701 105 HA ILE 15 HA ILE 15 1.436 4.500 -8.907 106 HB ILE 15 HB ILE 15 1.527 2.461 -10.247 107 1HG1 ILE 15 1HG1 ILE 15 -1.370 3.085 -10.875 108 2HG1 ILE 15 2HG1 ILE 15 -0.039 3.030 -12.024 109 1HG2 ILE 15 1HG2 ILE 15 0.571 1.201 -8.633 110 2HG2 ILE 15 2HG2 ILE 15 -0.967 2.061 -8.716 111 3HG2 ILE 15 3HG2 ILE 15 0.393 2.767 -7.844 112 1HD1 ILE 15 1HD1 ILE 15 -0.273 0.850 -12.305 113 2HD1 ILE 15 2HD1 ILE 15 -1.765 0.968 -11.372 114 3HD1 ILE 15 3HD1 ILE 15 -0.251 0.555 -10.566 115 H ALA 16 H ALA 16 -0.423 4.932 -11.911 116 HA ALA 16 HA ALA 16 1.525 5.119 -13.780 117 1HB ALA 16 1HB ALA 16 -0.459 7.284 -13.968 118 2HB ALA 16 2HB ALA 16 -1.110 5.657 -13.776 119 3HB ALA 16 3HB ALA 16 -0.037 6.023 -15.125 120 H GLN 17 H GLN 17 3.472 6.000 -13.396 121 HA GLN 17 HA GLN 17 5.081 7.524 -12.821 122 1HB GLN 17 1HB GLN 17 3.137 9.258 -14.348 123 2HB GLN 17 2HB GLN 17 4.790 9.721 -13.964 124 1HG GLN 17 1HG GLN 17 5.624 7.828 -15.261 125 2HG GLN 17 2HG GLN 17 3.963 7.364 -15.648 126 1HE2 GLN 17 1HE2 GLN 17 3.418 7.909 -17.618 127 2HE2 GLN 17 2HE2 GLN 17 3.914 9.330 -18.469 128 H ASP 18 H ASP 18 4.807 7.504 -10.548 129 HA ASP 18 HA ASP 18 4.218 10.056 -9.458 130 1HB ASP 18 1HB ASP 18 1.919 9.191 -9.685 131 2HB ASP 18 2HB ASP 18 2.356 7.798 -8.700 132 H LYS 19 H LYS 19 6.482 8.378 -9.448 133 HA LYS 19 HA LYS 19 8.125 7.697 -8.021 134 1HB LYS 19 1HB LYS 19 6.292 8.946 -5.989 135 2HB LYS 19 2HB LYS 19 7.943 8.453 -5.660 136 1HG LYS 19 1HG LYS 19 7.976 10.786 -5.997 137 2HG LYS 19 2HG LYS 19 8.676 10.049 -7.438 138 1HD LYS 19 1HD LYS 19 6.632 10.373 -8.664 139 2HD LYS 19 2HD LYS 19 5.803 10.939 -7.212 140 1HE LYS 19 1HE LYS 19 8.127 12.294 -8.578 141 2HE LYS 19 2HE LYS 19 6.441 12.800 -8.662 142 1HZ LYS 19 1HZ LYS 19 6.529 13.059 -6.201 143 2HZ LYS 19 2HZ LYS 19 7.521 14.136 -7.047 144 3HZ LYS 19 3HZ LYS 19 8.199 12.792 -6.273 145 H LEU 20 H LEU 20 7.722 6.745 -5.317 146 HA LEU 20 HA LEU 20 6.678 4.107 -5.991 147 1HB LEU 20 1HB LEU 20 8.929 4.188 -5.092 148 2HB LEU 20 2HB LEU 20 8.363 5.086 -3.682 149 HG LEU 20 HG LEU 20 6.973 3.086 -3.074 150 1HD1 LEU 20 1HD1 LEU 20 6.690 1.516 -4.610 151 2HD1 LEU 20 2HD1 LEU 20 8.370 1.047 -4.349 152 3HD1 LEU 20 3HD1 LEU 20 7.962 2.190 -5.627 153 1HD2 LEU 20 1HD2 LEU 20 9.911 3.272 -3.036 154 2HD2 LEU 20 2HD2 LEU 20 9.237 1.686 -2.661 155 3HD2 LEU 20 3HD2 LEU 20 8.764 3.093 -1.708 156 H VAL 21 H VAL 21 4.649 3.713 -5.491 157 HA VAL 21 HA VAL 21 3.437 5.048 -3.176 158 HB VAL 21 HB VAL 21 2.080 3.572 -5.438 159 1HG1 VAL 21 1HG1 VAL 21 0.019 4.394 -4.583 160 2HG1 VAL 21 2HG1 VAL 21 0.843 5.404 -3.394 161 3HG1 VAL 21 3HG1 VAL 21 0.876 3.648 -3.234 162 1HG2 VAL 21 1HG2 VAL 21 2.869 6.411 -5.069 163 2HG2 VAL 21 2HG2 VAL 21 1.314 6.078 -5.831 164 3HG2 VAL 21 3HG2 VAL 21 2.797 5.437 -6.538 165 H VAL 22 H VAL 22 3.228 3.918 -1.367 166 HA VAL 22 HA VAL 22 3.349 0.992 -1.492 167 HB VAL 22 HB VAL 22 3.593 2.797 0.921 168 1HG1 VAL 22 1HG1 VAL 22 4.435 0.814 2.061 169 2HG1 VAL 22 2HG1 VAL 22 4.192 -0.143 0.600 170 3HG1 VAL 22 3HG1 VAL 22 2.804 0.538 1.448 171 1HG2 VAL 22 1HG2 VAL 22 5.413 2.582 -1.095 172 2HG2 VAL 22 2HG2 VAL 22 5.953 1.317 0.008 173 3HG2 VAL 22 3HG2 VAL 22 5.803 2.979 0.579 174 H VAL 23 H VAL 23 1.306 0.322 -1.928 175 HA VAL 23 HA VAL 23 -0.891 1.385 -0.312 176 HB VAL 23 HB VAL 23 -1.028 -0.445 -2.712 177 1HG1 VAL 23 1HG1 VAL 23 -3.420 0.405 -2.732 178 2HG1 VAL 23 2HG1 VAL 23 -3.120 0.986 -1.093 179 3HG1 VAL 23 3HG1 VAL 23 -3.002 -0.736 -1.453 180 1HG2 VAL 23 1HG2 VAL 23 -2.035 1.846 -3.618 181 2HG2 VAL 23 2HG2 VAL 23 -0.321 1.456 -3.733 182 3HG2 VAL 23 3HG2 VAL 23 -0.901 2.502 -2.439 183 H ASP 24 H ASP 24 -2.211 0.096 0.925 184 HA ASP 24 HA ASP 24 -1.088 -2.529 1.617 185 1HB ASP 24 1HB ASP 24 -1.172 -0.822 3.422 186 2HB ASP 24 2HB ASP 24 -2.929 -0.752 3.241 187 H PHE 25 H PHE 25 -2.238 -4.316 1.128 188 HA PHE 25 HA PHE 25 -4.984 -4.000 0.190 189 1HB PHE 25 1HB PHE 25 -2.857 -6.106 -0.156 190 2HB PHE 25 2HB PHE 25 -4.542 -6.440 -0.551 191 HD1 PHE 25 HD1 PHE 25 -2.156 -3.618 -1.214 192 HD2 PHE 25 HD2 PHE 25 -4.984 -6.399 -2.744 193 HE1 PHE 25 HE1 PHE 25 -1.778 -2.739 -3.485 194 HE2 PHE 25 HE2 PHE 25 -4.636 -5.517 -5.006 195 HZ PHE 25 HZ PHE 25 -3.036 -3.682 -5.383 196 H TYR 26 H TYR 26 -4.891 -3.699 2.835 197 HA TYR 26 HA TYR 26 -4.939 -5.906 4.490 198 1HB TYR 26 1HB TYR 26 -6.554 -4.508 5.890 199 2HB TYR 26 2HB TYR 26 -4.989 -3.795 5.529 200 HD1 TYR 26 HD1 TYR 26 -8.308 -3.966 3.784 201 HD2 TYR 26 HD2 TYR 26 -5.098 -1.512 5.123 202 HE1 TYR 26 HE1 TYR 26 -9.418 -1.997 2.841 203 HE2 TYR 26 HE2 TYR 26 -6.209 0.446 4.233 204 HH TYR 26 HH TYR 26 -8.008 0.785 2.204 205 H ALA 27 H ALA 27 -6.405 -7.434 5.076 206 HA ALA 27 HA ALA 27 -8.355 -8.201 3.197 207 1HB ALA 27 1HB ALA 27 -7.586 -9.111 5.920 208 2HB ALA 27 2HB ALA 27 -7.635 -10.003 4.399 209 3HB ALA 27 3HB ALA 27 -9.131 -9.650 5.263 210 H THR 28 H THR 28 -10.617 -8.194 3.317 211 HA THR 28 HA THR 28 -11.705 -5.827 4.470 212 HB THR 28 HB THR 28 -12.579 -6.508 2.369 213 HG1 THR 28 HG1 THR 28 -14.560 -7.141 4.294 214 1HG2 THR 28 1HG2 THR 28 -13.112 -8.571 1.733 215 2HG2 THR 28 2HG2 THR 28 -14.023 -8.890 3.208 216 3HG2 THR 28 3HG2 THR 28 -12.274 -9.101 3.190 217 H TRP 29 H TRP 29 -11.193 -8.933 5.704 218 HA TRP 29 HA TRP 29 -13.325 -8.580 7.704 219 1HB TRP 29 1HB TRP 29 -12.837 -11.087 8.151 220 2HB TRP 29 2HB TRP 29 -13.760 -10.642 6.708 221 HD1 TRP 29 HD1 TRP 29 -12.312 -10.633 4.348 222 HE1 TRP 29 HE1 TRP 29 -10.379 -12.165 3.617 223 HE3 TRP 29 HE3 TRP 29 -10.898 -12.397 8.932 224 HZ2 TRP 29 HZ2 TRP 29 -8.501 -13.885 4.821 225 HZ3 TRP 29 HZ3 TRP 29 -9.019 -13.978 9.056 226 HH2 TRP 29 HH2 TRP 29 -7.846 -14.710 7.042 227 H CYS 30 H CYS 30 -10.077 -10.040 7.494 228 HA CYS 30 HA CYS 30 -8.879 -10.595 9.538 229 1HB CYS 30 1HB CYS 30 -7.587 -9.404 7.868 230 2HB CYS 30 2HB CYS 30 -8.175 -7.856 8.472 231 HG CYS 30 HG CYS 30 -6.387 -9.639 10.284 232 H GLY 31 H GLY 31 -9.232 -7.078 9.880 233 1HA GLY 31 1HA GLY 31 -10.848 -6.408 11.745 234 2HA GLY 31 2HA GLY 31 -9.913 -7.539 12.712 235 HA PRO 32 HA PRO 32 -7.106 -4.334 13.818 236 1HB PRO 32 1HB PRO 32 -4.683 -5.572 13.765 237 2HB PRO 32 2HB PRO 32 -5.888 -5.856 15.027 238 1HG PRO 32 1HG PRO 32 -5.269 -7.490 12.595 239 2HG PRO 32 2HG PRO 32 -5.584 -8.029 14.255 240 1HD PRO 32 1HD PRO 32 -7.469 -8.134 12.326 241 2HD PRO 32 2HD PRO 32 -7.871 -7.816 14.026 242 H CYS 33 H CYS 33 -6.754 -5.894 10.768 243 HA CYS 33 HA CYS 33 -4.558 -4.649 9.641 244 1HB CYS 33 1HB CYS 33 -5.604 -5.048 7.479 245 2HB CYS 33 2HB CYS 33 -5.876 -6.431 8.549 246 HG CYS 33 HG CYS 33 -8.157 -4.358 8.191 247 H LYS 34 H LYS 34 -7.675 -3.316 10.424 248 HA LYS 34 HA LYS 34 -7.450 -1.004 8.750 249 1HB LYS 34 1HB LYS 34 -9.256 -1.581 11.103 250 2HB LYS 34 2HB LYS 34 -9.397 -0.174 10.058 251 1HG LYS 34 1HG LYS 34 -9.694 -3.045 9.202 252 2HG LYS 34 2HG LYS 34 -11.006 -1.892 9.452 253 1HD LYS 34 1HD LYS 34 -10.089 -0.476 7.670 254 2HD LYS 34 2HD LYS 34 -8.792 -1.645 7.414 255 1HE LYS 34 1HE LYS 34 -10.564 -1.931 5.766 256 2HE LYS 34 2HE LYS 34 -10.441 -3.344 6.811 257 1HZ LYS 34 1HZ LYS 34 -12.357 -2.677 8.003 258 2HZ LYS 34 2HZ LYS 34 -12.749 -2.555 6.362 259 3HZ LYS 34 3HZ LYS 34 -12.397 -1.161 7.252 260 H MET 35 H MET 35 -6.123 -1.880 11.767 261 HA MET 35 HA MET 35 -5.897 0.753 12.873 262 1HB MET 35 1HB MET 35 -5.847 -1.290 14.262 263 2HB MET 35 2HB MET 35 -4.333 -1.757 13.499 264 1HG MET 35 1HG MET 35 -3.222 0.170 14.441 265 2HG MET 35 2HG MET 35 -4.740 0.738 15.132 266 1HE MET 35 1HE MET 35 -5.665 -1.133 17.883 267 2HE MET 35 2HE MET 35 -5.676 -2.548 16.831 268 3HE MET 35 3HE MET 35 -6.220 -0.988 16.215 269 H ILE 36 H ILE 36 -4.599 -0.464 10.167 270 HA ILE 36 HA ILE 36 -1.876 0.445 10.432 271 HB ILE 36 HB ILE 36 -3.379 -0.412 7.960 272 1HG1 ILE 36 1HG1 ILE 36 -1.591 -2.059 9.760 273 2HG1 ILE 36 2HG1 ILE 36 -3.349 -2.146 9.751 274 1HG2 ILE 36 1HG2 ILE 36 -0.794 0.683 8.351 275 2HG2 ILE 36 2HG2 ILE 36 -1.539 0.109 6.858 276 3HG2 ILE 36 3HG2 ILE 36 -0.613 -1.003 7.864 277 1HD1 ILE 36 1HD1 ILE 36 -1.384 -3.227 7.849 278 2HD1 ILE 36 2HD1 ILE 36 -2.863 -2.564 7.152 279 3HD1 ILE 36 3HD1 ILE 36 -2.955 -3.855 8.348 280 H ALA 37 H ALA 37 -4.907 1.716 9.306 281 HA ALA 37 HA ALA 37 -4.239 3.631 7.484 282 1HB ALA 37 1HB ALA 37 -6.276 4.562 7.882 283 2HB ALA 37 2HB ALA 37 -6.098 4.482 9.634 284 3HB ALA 37 3HB ALA 37 -6.505 3.028 8.722 285 HA PRO 38 HA PRO 38 -2.945 6.710 10.944 286 1HB PRO 38 1HB PRO 38 -2.171 5.663 13.336 287 2HB PRO 38 2HB PRO 38 -3.823 6.201 13.001 288 1HG PRO 38 1HG PRO 38 -2.700 3.447 13.081 289 2HG PRO 38 2HG PRO 38 -4.304 4.025 13.564 290 1HD PRO 38 1HD PRO 38 -3.746 2.723 11.207 291 2HD PRO 38 2HD PRO 38 -5.142 3.770 11.455 292 H MET 39 H MET 39 -1.438 3.503 11.075 293 HA MET 39 HA MET 39 1.201 4.379 11.442 294 1HB MET 39 1HB MET 39 0.033 1.888 10.216 295 2HB MET 39 2HB MET 39 1.730 2.106 10.526 296 1HG MET 39 1HG MET 39 1.266 2.335 12.881 297 2HG MET 39 2HG MET 39 -0.449 2.121 12.577 298 1HE MET 39 1HE MET 39 3.065 0.618 12.308 299 2HE MET 39 2HE MET 39 2.487 0.028 10.751 300 3HE MET 39 3HE MET 39 2.793 -1.107 12.066 301 H ILE 40 H ILE 40 -0.556 3.322 8.531 302 HA ILE 40 HA ILE 40 1.317 3.772 6.581 303 HB ILE 40 HB ILE 40 -1.662 4.311 6.463 304 1HG1 ILE 40 1HG1 ILE 40 -0.015 1.916 5.628 305 2HG1 ILE 40 2HG1 ILE 40 -1.071 2.015 7.029 306 1HG2 ILE 40 1HG2 ILE 40 0.285 3.981 4.176 307 2HG2 ILE 40 2HG2 ILE 40 -0.499 5.486 4.651 308 3HG2 ILE 40 3HG2 ILE 40 -1.465 4.146 4.035 309 1HD1 ILE 40 1HD1 ILE 40 -3.013 2.109 5.675 310 2HD1 ILE 40 2HD1 ILE 40 -2.008 0.803 5.047 311 3HD1 ILE 40 3HD1 ILE 40 -2.055 2.356 4.214 312 H GLU 41 H GLU 41 -0.451 6.106 8.446 313 HA GLU 41 HA GLU 41 0.168 8.343 6.745 314 1HB GLU 41 1HB GLU 41 -1.886 8.325 8.049 315 2HB GLU 41 2HB GLU 41 -0.967 8.186 9.543 316 1HG GLU 41 1HG GLU 41 0.006 10.397 9.143 317 2HG GLU 41 2HG GLU 41 -0.926 10.533 7.652 318 H LYS 42 H LYS 42 1.480 6.887 9.661 319 HA LYS 42 HA LYS 42 3.182 9.021 10.394 320 1HB LYS 42 1HB LYS 42 3.386 6.068 10.988 321 2HB LYS 42 2HB LYS 42 4.372 7.308 11.749 322 1HG LYS 42 1HG LYS 42 2.369 8.331 12.691 323 2HG LYS 42 2HG LYS 42 1.373 7.096 11.919 324 1HD LYS 42 1HD LYS 42 1.756 6.557 14.265 325 2HD LYS 42 2HD LYS 42 2.523 5.364 13.215 326 1HE LYS 42 1HE LYS 42 3.985 5.990 15.072 327 2HE LYS 42 2HE LYS 42 4.677 6.460 13.522 328 1HZ LYS 42 1HZ LYS 42 3.198 8.290 15.333 329 2HZ LYS 42 2HZ LYS 42 3.986 8.715 13.899 330 3HZ LYS 42 3HZ LYS 42 4.884 8.191 15.232 331 H PHE 43 H PHE 43 3.450 6.587 7.951 332 HA PHE 43 HA PHE 43 6.319 6.857 7.723 333 1HB PHE 43 1HB PHE 43 4.295 5.349 6.066 334 2HB PHE 43 2HB PHE 43 6.023 5.368 5.715 335 HD1 PHE 43 HD1 PHE 43 3.805 4.803 8.666 336 HD2 PHE 43 HD2 PHE 43 7.209 3.553 6.438 337 HE1 PHE 43 HE1 PHE 43 4.133 2.930 10.227 338 HE2 PHE 43 HE2 PHE 43 7.542 1.676 7.996 339 HZ PHE 43 HZ PHE 43 6.003 1.363 9.893 340 H SER 44 H SER 44 3.534 8.365 6.398 341 HA SER 44 HA SER 44 4.665 9.280 3.979 342 1HB SER 44 1HB SER 44 2.383 10.360 5.654 343 2HB SER 44 2HB SER 44 2.760 10.861 4.003 344 HG SER 44 HG SER 44 1.346 9.298 3.637 345 H GLU 45 H GLU 45 5.283 10.095 7.199 346 HA GLU 45 HA GLU 45 6.027 12.849 6.642 347 1HB GLU 45 1HB GLU 45 4.983 12.318 8.795 348 2HB GLU 45 2HB GLU 45 6.287 11.197 9.163 349 1HG GLU 45 1HG GLU 45 7.880 13.045 9.168 350 2HG GLU 45 2HG GLU 45 6.576 14.170 8.792 351 H GLN 46 H GLN 46 7.459 9.716 6.802 352 HA GLN 46 HA GLN 46 10.167 10.757 7.003 353 1HB GLN 46 1HB GLN 46 9.170 7.922 6.688 354 2HB GLN 46 2HB GLN 46 10.839 8.393 6.985 355 1HG GLN 46 1HG GLN 46 10.197 9.347 9.128 356 2HG GLN 46 2HG GLN 46 8.520 8.894 8.830 357 1HE2 GLN 46 1HE2 GLN 46 7.916 7.149 9.867 358 2HE2 GLN 46 2HE2 GLN 46 8.925 5.784 10.262 359 H TYR 47 H TYR 47 8.044 9.229 4.618 360 HA TYR 47 HA TYR 47 10.064 9.879 2.570 361 1HB TYR 47 1HB TYR 47 8.137 7.552 2.510 362 2HB TYR 47 2HB TYR 47 9.354 7.936 1.295 363 HD1 TYR 47 HD1 TYR 47 11.827 8.025 2.169 364 HD2 TYR 47 HD2 TYR 47 8.645 6.050 4.182 365 HE1 TYR 47 HE1 TYR 47 13.461 6.643 3.381 366 HE2 TYR 47 HE2 TYR 47 10.270 4.652 5.395 367 HH TYR 47 HH TYR 47 13.588 5.342 5.466 368 HA PRO 48 HA PRO 48 5.671 12.000 2.181 369 1HB PRO 48 1HB PRO 48 7.729 14.101 1.636 370 2HB PRO 48 2HB PRO 48 6.128 14.266 2.369 371 1HG PRO 48 1HG PRO 48 8.366 14.210 3.856 372 2HG PRO 48 2HG PRO 48 6.840 13.511 4.423 373 1HD PRO 48 1HD PRO 48 9.322 12.158 3.598 374 2HD PRO 48 2HD PRO 48 7.969 11.545 4.573 375 H GLN 49 H GLN 49 8.651 11.808 0.381 376 HA GLN 49 HA GLN 49 7.818 12.767 -2.100 377 1HB GLN 49 1HB GLN 49 9.856 10.669 -1.363 378 2HB GLN 49 2HB GLN 49 9.601 11.193 -3.020 379 1HG GLN 49 1HG GLN 49 11.501 12.312 -2.013 380 2HG GLN 49 2HG GLN 49 10.229 13.460 -2.421 381 1HE2 GLN 49 1HE2 GLN 49 12.382 12.505 -0.097 382 2HE2 GLN 49 2HE2 GLN 49 11.680 13.288 1.273 383 H ALA 50 H ALA 50 7.470 9.598 -0.624 384 HA ALA 50 HA ALA 50 6.208 8.497 -3.001 385 1HB ALA 50 1HB ALA 50 5.941 6.534 -1.207 386 2HB ALA 50 2HB ALA 50 7.277 7.415 -0.464 387 3HB ALA 50 3HB ALA 50 7.429 6.808 -2.113 388 H ASP 51 H ASP 51 4.085 7.616 -2.998 389 HA ASP 51 HA ASP 51 2.257 9.084 -1.245 390 1HB ASP 51 1HB ASP 51 1.713 7.537 -3.789 391 2HB ASP 51 2HB ASP 51 0.516 8.455 -2.880 392 H PHE 52 H PHE 52 1.293 8.107 0.406 393 HA PHE 52 HA PHE 52 1.358 5.180 0.525 394 1HB PHE 52 1HB PHE 52 0.958 7.248 2.694 395 2HB PHE 52 2HB PHE 52 0.875 5.500 2.956 396 HD1 PHE 52 HD1 PHE 52 3.189 7.943 1.325 397 HD2 PHE 52 HD2 PHE 52 2.747 4.542 3.842 398 HE1 PHE 52 HE1 PHE 52 5.627 7.877 1.656 399 HE2 PHE 52 HE2 PHE 52 5.183 4.469 4.180 400 HZ PHE 52 HZ PHE 52 6.625 6.140 3.088 401 H TYR 53 H TYR 53 -0.403 4.348 -0.391 402 HA TYR 53 HA TYR 53 -3.023 5.481 0.335 403 1HB TYR 53 1HB TYR 53 -2.060 4.106 -2.158 404 2HB TYR 53 2HB TYR 53 -3.774 4.180 -1.767 405 HD1 TYR 53 HD1 TYR 53 -4.706 6.570 -1.256 406 HD2 TYR 53 HD2 TYR 53 -1.111 5.819 -3.400 407 HE1 TYR 53 HE1 TYR 53 -4.858 8.800 -2.278 408 HE2 TYR 53 HE2 TYR 53 -1.249 8.049 -4.424 409 HH TYR 53 HH TYR 53 -2.267 10.203 -4.017 410 H LYS 54 H LYS 54 -4.765 3.616 -0.133 411 HA LYS 54 HA LYS 54 -3.865 1.120 1.110 412 1HB LYS 54 1HB LYS 54 -6.390 2.514 1.996 413 2HB LYS 54 2HB LYS 54 -5.602 1.119 2.723 414 1HG LYS 54 1HG LYS 54 -3.974 2.387 3.731 415 2HG LYS 54 2HG LYS 54 -4.148 3.718 2.590 416 1HD LYS 54 1HD LYS 54 -5.025 4.316 4.792 417 2HD LYS 54 2HD LYS 54 -6.304 4.297 3.579 418 1HE LYS 54 1HE LYS 54 -6.992 2.082 4.343 419 2HE LYS 54 2HE LYS 54 -5.708 2.095 5.550 420 1HZ LYS 54 1HZ LYS 54 -7.019 4.396 6.058 421 2HZ LYS 54 2HZ LYS 54 -7.279 2.938 6.875 422 3HZ LYS 54 3HZ LYS 54 -8.288 3.379 5.590 423 H LEU 55 H LEU 55 -4.989 -0.696 0.448 424 HA LEU 55 HA LEU 55 -6.886 -0.256 -1.756 425 1HB LEU 55 1HB LEU 55 -4.711 -1.457 -2.214 426 2HB LEU 55 2HB LEU 55 -5.285 -2.743 -1.172 427 HG LEU 55 HG LEU 55 -5.575 -3.231 -3.581 428 1HD1 LEU 55 1HD1 LEU 55 -8.362 -3.036 -2.689 429 2HD1 LEU 55 2HD1 LEU 55 -7.263 -3.803 -1.542 430 3HD1 LEU 55 3HD1 LEU 55 -7.418 -4.442 -3.178 431 1HD2 LEU 55 1HD2 LEU 55 -6.197 -0.696 -3.956 432 2HD2 LEU 55 2HD2 LEU 55 -7.834 -1.308 -3.717 433 3HD2 LEU 55 3HD2 LEU 55 -6.824 -1.965 -5.007 434 H ASP 56 H ASP 56 -8.882 -1.182 -1.742 435 HA ASP 56 HA ASP 56 -9.748 -2.323 0.799 436 1HB ASP 56 1HB ASP 56 -10.993 -0.433 -0.398 437 2HB ASP 56 2HB ASP 56 -11.507 -1.653 -1.562 438 H VAL 57 H VAL 57 -9.660 -4.459 1.024 439 HA VAL 57 HA VAL 57 -9.531 -6.238 -1.209 440 HB VAL 57 HB VAL 57 -9.700 -6.722 1.773 441 1HG1 VAL 57 1HG1 VAL 57 -10.771 -8.633 0.811 442 2HG1 VAL 57 2HG1 VAL 57 -9.115 -9.106 1.193 443 3HG1 VAL 57 3HG1 VAL 57 -9.565 -8.741 -0.473 444 1HG2 VAL 57 1HG2 VAL 57 -7.396 -7.354 1.558 445 2HG2 VAL 57 2HG2 VAL 57 -7.609 -5.790 0.769 446 3HG2 VAL 57 3HG2 VAL 57 -7.477 -7.257 -0.203 447 H ASP 58 H ASP 58 -12.118 -4.690 0.201 448 HA ASP 58 HA ASP 58 -14.001 -6.882 -0.273 449 1HB ASP 58 1HB ASP 58 -14.223 -5.567 1.816 450 2HB ASP 58 2HB ASP 58 -14.493 -4.119 0.862 451 H GLU 59 H GLU 59 -13.389 -3.530 -1.229 452 HA GLU 59 HA GLU 59 -15.411 -3.614 -3.286 453 1HB GLU 59 1HB GLU 59 -14.932 -1.564 -1.964 454 2HB GLU 59 2HB GLU 59 -13.338 -1.484 -2.707 455 1HG GLU 59 1HG GLU 59 -14.774 0.043 -3.841 456 2HG GLU 59 2HG GLU 59 -14.456 -1.315 -4.920 457 H LEU 60 H LEU 60 -11.925 -3.892 -3.055 458 HA LEU 60 HA LEU 60 -11.827 -4.343 -5.966 459 1HB LEU 60 1HB LEU 60 -9.650 -3.257 -4.179 460 2HB LEU 60 2HB LEU 60 -9.464 -3.626 -5.882 461 HG LEU 60 HG LEU 60 -11.186 -1.899 -6.397 462 1HD1 LEU 60 1HD1 LEU 60 -11.264 -1.795 -3.458 463 2HD1 LEU 60 2HD1 LEU 60 -12.516 -1.433 -4.644 464 3HD1 LEU 60 3HD1 LEU 60 -11.272 -0.237 -4.282 465 1HD2 LEU 60 1HD2 LEU 60 -9.191 -0.396 -4.846 466 2HD2 LEU 60 2HD2 LEU 60 -9.590 -0.323 -6.563 467 3HD2 LEU 60 3HD2 LEU 60 -8.533 -1.598 -5.956 468 H GLY 61 H GLY 61 -12.528 -6.525 -4.837 469 1HA GLY 61 1HA GLY 61 -10.463 -8.069 -3.618 470 2HA GLY 61 2HA GLY 61 -11.979 -8.685 -4.255 471 H ASP 62 H ASP 62 -10.871 -7.084 -6.804 472 HA ASP 62 HA ASP 62 -9.827 -9.464 -8.040 473 1HB ASP 62 1HB ASP 62 -10.321 -6.741 -9.164 474 2HB ASP 62 2HB ASP 62 -9.876 -8.147 -10.110 475 H VAL 63 H VAL 63 -8.589 -6.448 -6.828 476 HA VAL 63 HA VAL 63 -6.069 -6.657 -8.195 477 HB VAL 63 HB VAL 63 -6.609 -4.946 -5.770 478 1HG1 VAL 63 1HG1 VAL 63 -4.282 -5.339 -6.946 479 2HG1 VAL 63 2HG1 VAL 63 -4.757 -3.744 -6.362 480 3HG1 VAL 63 3HG1 VAL 63 -4.911 -4.139 -8.073 481 1HG2 VAL 63 1HG2 VAL 63 -7.786 -3.415 -6.951 482 2HG2 VAL 63 2HG2 VAL 63 -8.226 -4.822 -7.917 483 3HG2 VAL 63 3HG2 VAL 63 -6.929 -3.755 -8.453 484 H ALA 64 H ALA 64 -7.214 -7.252 -4.872 485 HA ALA 64 HA ALA 64 -4.765 -7.989 -3.709 486 1HB ALA 64 1HB ALA 64 -7.625 -8.475 -3.123 487 2HB ALA 64 2HB ALA 64 -6.338 -7.865 -2.083 488 3HB ALA 64 3HB ALA 64 -6.473 -9.594 -2.395 489 H GLN 65 H GLN 65 -6.822 -9.606 -5.978 490 HA GLN 65 HA GLN 65 -5.525 -12.181 -5.610 491 1HB GLN 65 1HB GLN 65 -7.937 -12.137 -6.011 492 2HB GLN 65 2HB GLN 65 -7.682 -11.302 -7.537 493 1HG GLN 65 1HG GLN 65 -6.486 -13.245 -8.405 494 2HG GLN 65 2HG GLN 65 -6.741 -14.083 -6.874 495 1HE2 GLN 65 1HE2 GLN 65 -8.316 -15.499 -6.946 496 2HE2 GLN 65 2HE2 GLN 65 -9.755 -15.387 -7.895 497 H LYS 66 H LYS 66 -5.709 -9.584 -8.029 498 HA LYS 66 HA LYS 66 -4.290 -10.852 -10.072 499 1HB LYS 66 1HB LYS 66 -4.032 -8.747 -11.080 500 2HB LYS 66 2HB LYS 66 -5.529 -8.615 -10.169 501 1HG LYS 66 1HG LYS 66 -4.298 -7.461 -8.377 502 2HG LYS 66 2HG LYS 66 -2.841 -7.529 -9.363 503 1HD LYS 66 1HD LYS 66 -5.413 -6.180 -10.179 504 2HD LYS 66 2HD LYS 66 -4.023 -5.349 -9.483 505 1HE LYS 66 1HE LYS 66 -3.869 -5.051 -11.821 506 2HE LYS 66 2HE LYS 66 -2.666 -6.267 -11.400 507 1HZ LYS 66 1HZ LYS 66 -3.657 -7.755 -12.695 508 2HZ LYS 66 2HZ LYS 66 -4.589 -6.492 -13.323 509 3HZ LYS 66 3HZ LYS 66 -5.190 -7.435 -12.054 510 H ASN 67 H ASN 67 -3.086 -8.789 -7.435 511 HA ASN 67 HA ASN 67 -0.347 -9.202 -8.142 512 1HB ASN 67 1HB ASN 67 -1.685 -7.981 -5.720 513 2HB ASN 67 2HB ASN 67 0.056 -7.995 -5.997 514 1HD2 ASN 67 1HD2 ASN 67 -2.601 -6.148 -6.220 515 2HD2 ASN 67 2HD2 ASN 67 -2.115 -5.063 -7.494 516 H GLU 68 H GLU 68 -2.601 -11.167 -6.732 517 HA GLU 68 HA GLU 68 -2.495 -13.146 -5.636 518 1HB GLU 68 1HB GLU 68 0.495 -12.841 -5.963 519 2HB GLU 68 2HB GLU 68 -0.338 -14.313 -5.484 520 1HG GLU 68 1HG GLU 68 -1.471 -14.385 -7.639 521 2HG GLU 68 2HG GLU 68 -0.655 -12.898 -8.121 522 H VAL 69 H VAL 69 -2.738 -10.793 -4.119 523 HA VAL 69 HA VAL 69 -0.946 -11.011 -1.855 524 HB VAL 69 HB VAL 69 -3.428 -9.318 -2.186 525 1HG1 VAL 69 1HG1 VAL 69 -1.463 -9.655 -0.010 526 2HG1 VAL 69 2HG1 VAL 69 -3.154 -9.150 0.049 527 3HG1 VAL 69 3HG1 VAL 69 -1.908 -7.998 -0.419 528 1HG2 VAL 69 1HG2 VAL 69 -1.682 -8.836 -3.859 529 2HG2 VAL 69 2HG2 VAL 69 -0.533 -8.561 -2.550 530 3HG2 VAL 69 3HG2 VAL 69 -1.930 -7.500 -2.735 531 H SER 70 H SER 70 -4.493 -10.813 -1.796 532 HA SER 70 HA SER 70 -6.024 -11.808 -0.432 533 1HB SER 70 1HB SER 70 -6.042 -14.259 -0.526 534 2HB SER 70 2HB SER 70 -5.680 -13.562 -2.115 535 HG SER 70 HG SER 70 -3.625 -14.222 -1.956 536 H ALA 71 H ALA 71 -3.513 -10.848 0.879 537 HA ALA 71 HA ALA 71 -3.348 -12.683 3.159 538 1HB ALA 71 1HB ALA 71 -1.424 -11.151 1.822 539 2HB ALA 71 2HB ALA 71 -1.211 -12.098 3.295 540 3HB ALA 71 3HB ALA 71 -1.633 -10.388 3.398 541 H MET 72 H MET 72 -2.581 -10.684 5.095 542 HA MET 72 HA MET 72 -4.524 -8.645 5.250 543 1HB MET 72 1HB MET 72 -5.965 -9.555 6.998 544 2HB MET 72 2HB MET 72 -6.081 -10.468 5.503 545 1HG MET 72 1HG MET 72 -4.388 -11.302 7.833 546 2HG MET 72 2HG MET 72 -6.049 -11.826 7.593 547 1HE MET 72 1HE MET 72 -3.549 -14.818 6.904 548 2HE MET 72 2HE MET 72 -5.251 -14.706 7.357 549 3HE MET 72 3HE MET 72 -4.049 -13.718 8.191 550 HA PRO 73 HA PRO 73 -3.599 -7.074 5.121 551 1HB PRO 73 1HB PRO 73 -2.016 -5.008 5.463 552 2HB PRO 73 2HB PRO 73 -3.346 -5.276 6.610 553 1HG PRO 73 1HG PRO 73 -0.437 -5.932 6.894 554 2HG PRO 73 2HG PRO 73 -1.527 -5.182 8.068 555 1HD PRO 73 1HD PRO 73 -0.876 -7.881 7.995 556 2HD PRO 73 2HD PRO 73 -2.305 -7.191 8.795 557 H THR 74 H THR 74 -1.690 -5.629 3.745 558 HA THR 74 HA THR 74 0.651 -7.247 3.260 559 HB THR 74 HB THR 74 -1.488 -6.971 1.146 560 HG1 THR 74 HG1 THR 74 -0.480 -9.450 1.738 561 1HG2 THR 74 1HG2 THR 74 0.206 -8.639 -0.008 562 2HG2 THR 74 2HG2 THR 74 1.371 -7.719 0.938 563 3HG2 THR 74 3HG2 THR 74 0.325 -6.892 -0.216 564 H LEU 75 H LEU 75 2.162 -6.226 1.803 565 HA LEU 75 HA LEU 75 1.594 -3.365 1.383 566 1HB LEU 75 1HB LEU 75 4.230 -4.658 2.077 567 2HB LEU 75 2HB LEU 75 4.004 -2.958 1.718 568 HG LEU 75 HG LEU 75 2.904 -4.454 4.096 569 1HD1 LEU 75 1HD1 LEU 75 5.242 -2.757 3.593 570 2HD1 LEU 75 2HD1 LEU 75 4.975 -3.999 4.814 571 3HD1 LEU 75 3HD1 LEU 75 4.327 -2.375 5.051 572 1HD2 LEU 75 1HD2 LEU 75 2.406 -1.886 4.654 573 2HD2 LEU 75 2HD2 LEU 75 1.228 -2.944 3.877 574 3HD2 LEU 75 3HD2 LEU 75 2.201 -1.842 2.903 575 H LEU 76 H LEU 76 1.580 -2.768 -0.671 576 HA LEU 76 HA LEU 76 3.196 -4.304 -2.595 577 1HB LEU 76 1HB LEU 76 0.489 -3.020 -2.958 578 2HB LEU 76 2HB LEU 76 1.471 -3.593 -4.304 579 HG LEU 76 HG LEU 76 0.152 -5.214 -2.137 580 1HD1 LEU 76 1HD1 LEU 76 -1.327 -5.760 -3.699 581 2HD1 LEU 76 2HD1 LEU 76 -0.061 -6.131 -4.870 582 3HD1 LEU 76 3HD1 LEU 76 -0.636 -4.475 -4.688 583 1HD2 LEU 76 1HD2 LEU 76 2.149 -6.349 -2.184 584 2HD2 LEU 76 2HD2 LEU 76 2.485 -5.907 -3.859 585 3HD2 LEU 76 3HD2 LEU 76 1.284 -7.147 -3.498 586 H LEU 77 H LEU 77 4.668 -3.213 -3.721 587 HA LEU 77 HA LEU 77 4.613 -0.273 -3.583 588 1HB LEU 77 1HB LEU 77 6.939 -2.161 -3.937 589 2HB LEU 77 2HB LEU 77 7.063 -0.416 -4.000 590 HG LEU 77 HG LEU 77 6.284 -0.304 -1.648 591 1HD1 LEU 77 1HD1 LEU 77 6.593 -2.614 -0.450 592 2HD1 LEU 77 2HD1 LEU 77 6.143 -3.253 -2.032 593 3HD1 LEU 77 3HD1 LEU 77 5.046 -2.171 -1.173 594 1HD2 LEU 77 1HD2 LEU 77 8.565 -0.129 -1.730 595 2HD2 LEU 77 2HD2 LEU 77 8.771 -1.718 -2.468 596 3HD2 LEU 77 3HD2 LEU 77 8.396 -1.585 -0.750 597 H PHE 78 H PHE 78 4.738 0.937 -5.411 598 HA PHE 78 HA PHE 78 5.077 -0.440 -7.987 599 1HB PHE 78 1HB PHE 78 2.859 1.519 -7.346 600 2HB PHE 78 2HB PHE 78 3.124 0.716 -8.892 601 HD1 PHE 78 HD1 PHE 78 2.758 -1.728 -9.089 602 HD2 PHE 78 HD2 PHE 78 1.761 0.424 -5.557 603 HE1 PHE 78 HE1 PHE 78 1.363 -3.608 -8.339 604 HE2 PHE 78 HE2 PHE 78 0.366 -1.457 -4.803 605 HZ PHE 78 HZ PHE 78 0.172 -3.477 -6.197 606 H LYS 79 H LYS 79 6.470 0.619 -9.305 607 HA LYS 79 HA LYS 79 7.023 3.459 -8.703 608 1HB LYS 79 1HB LYS 79 8.755 1.247 -9.747 609 2HB LYS 79 2HB LYS 79 9.155 2.918 -10.115 610 1HG LYS 79 1HG LYS 79 9.288 3.419 -7.729 611 2HG LYS 79 2HG LYS 79 8.877 1.748 -7.350 612 1HD LYS 79 1HD LYS 79 10.893 0.982 -8.491 613 2HD LYS 79 2HD LYS 79 11.296 2.647 -8.911 614 1HE LYS 79 1HE LYS 79 11.084 1.511 -6.126 615 2HE LYS 79 2HE LYS 79 12.578 1.896 -6.978 616 1HZ LYS 79 1HZ LYS 79 10.984 4.178 -7.029 617 2HZ LYS 79 2HZ LYS 79 12.429 3.942 -6.184 618 3HZ LYS 79 3HZ LYS 79 10.950 3.598 -5.441 619 H ASN 80 H ASN 80 6.565 4.975 -10.186 620 HA ASN 80 HA ASN 80 5.609 5.879 -12.057 621 1HB ASN 80 1HB ASN 80 7.725 4.100 -13.278 622 2HB ASN 80 2HB ASN 80 6.888 5.385 -14.143 623 1HD2 ASN 80 1HD2 ASN 80 7.990 7.183 -14.279 624 2HD2 ASN 80 2HD2 ASN 80 9.126 7.780 -13.122 625 H GLY 81 H GLY 81 3.763 4.242 -11.325 626 1HA GLY 81 1HA GLY 81 1.950 3.041 -12.031 627 2HA GLY 81 2HA GLY 81 2.422 3.484 -13.664 628 H LYS 82 H LYS 82 4.838 1.795 -11.969 629 HA LYS 82 HA LYS 82 4.108 -0.684 -13.383 630 1HB LYS 82 1HB LYS 82 6.862 0.244 -12.543 631 2HB LYS 82 2HB LYS 82 6.489 -1.205 -13.463 632 1HG LYS 82 1HG LYS 82 6.069 1.629 -14.377 633 2HG LYS 82 2HG LYS 82 7.338 0.530 -14.915 634 1HD LYS 82 1HD LYS 82 4.371 0.127 -15.291 635 2HD LYS 82 2HD LYS 82 5.508 0.645 -16.536 636 1HE LYS 82 1HE LYS 82 6.719 -1.468 -16.306 637 2HE LYS 82 2HE LYS 82 5.584 -1.985 -15.060 638 1HZ LYS 82 1HZ LYS 82 5.237 -1.846 -17.947 639 2HZ LYS 82 2HZ LYS 82 3.894 -1.421 -17.012 640 3HZ LYS 82 3HZ LYS 82 4.599 -2.947 -16.831 641 H GLU 83 H GLU 83 6.103 -2.225 -12.006 642 HA GLU 83 HA GLU 83 4.778 -2.471 -9.389 643 1HB GLU 83 1HB GLU 83 4.749 -4.362 -11.188 644 2HB GLU 83 2HB GLU 83 6.415 -4.628 -10.705 645 1HG GLU 83 1HG GLU 83 4.935 -6.160 -9.565 646 2HG GLU 83 2HG GLU 83 5.676 -5.062 -8.412 647 H VAL 84 H VAL 84 6.375 -3.584 -7.743 648 HA VAL 84 HA VAL 84 9.104 -2.657 -8.067 649 HB VAL 84 HB VAL 84 7.455 -1.835 -5.757 650 1HG1 VAL 84 1HG1 VAL 84 9.684 -0.333 -5.603 651 2HG1 VAL 84 2HG1 VAL 84 10.336 -1.830 -6.268 652 3HG1 VAL 84 3HG1 VAL 84 9.460 -1.853 -4.738 653 1HG2 VAL 84 1HG2 VAL 84 8.611 -0.126 -7.929 654 2HG2 VAL 84 2HG2 VAL 84 7.621 0.419 -6.577 655 3HG2 VAL 84 3HG2 VAL 84 6.921 -0.609 -7.821 656 H ALA 85 H ALA 85 6.972 -3.876 -5.498 657 HA ALA 85 HA ALA 85 8.251 -6.409 -5.381 658 1HB ALA 85 1HB ALA 85 10.100 -5.680 -4.297 659 2HB ALA 85 2HB ALA 85 9.043 -5.826 -2.893 660 3HB ALA 85 3HB ALA 85 9.293 -4.252 -3.649 661 H LYS 86 H LYS 86 7.436 -7.758 -3.642 662 HA LYS 86 HA LYS 86 4.914 -6.746 -2.505 663 1HB LYS 86 1HB LYS 86 3.995 -9.025 -2.766 664 2HB LYS 86 2HB LYS 86 4.419 -8.293 -4.308 665 1HG LYS 86 1HG LYS 86 6.515 -9.582 -4.318 666 2HG LYS 86 2HG LYS 86 6.027 -10.351 -2.806 667 1HD LYS 86 1HD LYS 86 5.527 -11.797 -4.694 668 2HD LYS 86 2HD LYS 86 4.037 -11.257 -3.919 669 1HE LYS 86 1HE LYS 86 3.743 -9.558 -5.646 670 2HE LYS 86 2HE LYS 86 5.251 -10.061 -6.409 671 1HZ LYS 86 1HZ LYS 86 2.642 -11.186 -6.647 672 2HZ LYS 86 2HZ LYS 86 3.776 -12.358 -6.197 673 3HZ LYS 86 3HZ LYS 86 4.014 -11.446 -7.601 674 H VAL 87 H VAL 87 5.057 -6.612 -0.373 675 HA VAL 87 HA VAL 87 6.436 -8.762 1.083 676 HB VAL 87 HB VAL 87 6.677 -5.823 1.749 677 1HG1 VAL 87 1HG1 VAL 87 7.666 -8.322 3.080 678 2HG1 VAL 87 2HG1 VAL 87 6.799 -6.957 3.784 679 3HG1 VAL 87 3HG1 VAL 87 8.486 -6.776 3.305 680 1HG2 VAL 87 1HG2 VAL 87 7.938 -6.581 -0.284 681 2HG2 VAL 87 2HG2 VAL 87 8.838 -7.677 0.766 682 3HG2 VAL 87 3HG2 VAL 87 8.941 -5.934 1.016 683 H VAL 88 H VAL 88 4.272 -9.567 1.412 684 HA VAL 88 HA VAL 88 2.191 -8.158 2.614 685 HB VAL 88 HB VAL 88 1.706 -10.283 1.648 686 1HG1 VAL 88 1HG1 VAL 88 2.670 -12.298 3.201 687 2HG1 VAL 88 2HG1 VAL 88 4.008 -11.151 3.258 688 3HG1 VAL 88 3HG1 VAL 88 3.418 -11.743 1.705 689 1HG2 VAL 88 1HG2 VAL 88 0.252 -9.766 3.480 690 2HG2 VAL 88 2HG2 VAL 88 1.410 -10.394 4.650 691 3HG2 VAL 88 3HG2 VAL 88 0.607 -11.491 3.530 692 H GLY 89 H GLY 89 2.794 -6.868 4.311 693 1HA GLY 89 1HA GLY 89 2.524 -7.311 6.835 694 2HA GLY 89 2HA GLY 89 4.040 -8.176 6.635 695 H ALA 90 H ALA 90 2.681 -5.273 7.492 696 HA ALA 90 HA ALA 90 5.016 -3.687 6.699 697 1HB ALA 90 1HB ALA 90 2.476 -2.977 6.508 698 2HB ALA 90 2HB ALA 90 3.735 -1.802 6.893 699 3HB ALA 90 3HB ALA 90 2.738 -2.480 8.179 700 H ASN 91 H ASN 91 5.256 -5.723 8.682 701 HA ASN 91 HA ASN 91 5.193 -4.744 11.317 702 1HB ASN 91 1HB ASN 91 5.420 -7.135 10.740 703 2HB ASN 91 2HB ASN 91 7.019 -6.824 10.085 704 1HD2 ASN 91 1HD2 ASN 91 6.468 -4.939 12.831 705 2HD2 ASN 91 2HD2 ASN 91 7.269 -5.941 13.978 706 HA PRO 92 HA PRO 92 8.139 -1.315 10.869 707 1HB PRO 92 1HB PRO 92 8.342 -2.230 13.726 708 2HB PRO 92 2HB PRO 92 8.387 -0.585 13.078 709 1HG PRO 92 1HG PRO 92 6.129 -1.599 14.092 710 2HG PRO 92 2HG PRO 92 6.110 -0.533 12.678 711 1HD PRO 92 1HD PRO 92 5.536 -3.409 12.846 712 2HD PRO 92 2HD PRO 92 5.122 -2.251 11.569 713 H ALA 93 H ALA 93 9.576 -2.544 9.530 714 HA ALA 93 HA ALA 93 12.130 -2.916 10.545 715 1HB ALA 93 1HB ALA 93 11.811 -4.857 11.668 716 2HB ALA 93 2HB ALA 93 12.041 -5.550 10.064 717 3HB ALA 93 3HB ALA 93 10.413 -5.316 10.700 718 H ALA 94 H ALA 94 9.752 -3.897 8.141 719 HA ALA 94 HA ALA 94 11.860 -3.743 6.095 720 1HB ALA 94 1HB ALA 94 11.264 -5.901 5.773 721 2HB ALA 94 2HB ALA 94 9.981 -5.164 4.814 722 3HB ALA 94 3HB ALA 94 9.659 -5.675 6.471 723 H ILE 95 H ILE 95 8.436 -3.082 6.771 724 HA ILE 95 HA ILE 95 7.757 -1.823 4.404 725 HB ILE 95 HB ILE 95 6.085 -2.298 6.061 726 1HG1 ILE 95 1HG1 ILE 95 4.843 -0.204 6.108 727 2HG1 ILE 95 2HG1 ILE 95 6.313 0.707 5.775 728 1HG2 ILE 95 1HG2 ILE 95 5.953 -0.949 8.156 729 2HG2 ILE 95 2HG2 ILE 95 7.561 -0.326 7.788 730 3HG2 ILE 95 3HG2 ILE 95 7.329 -2.049 8.080 731 1HD1 ILE 95 1HD1 ILE 95 6.203 -1.052 3.677 732 2HD1 ILE 95 2HD1 ILE 95 5.661 0.624 3.650 733 3HD1 ILE 95 3HD1 ILE 95 4.506 -0.672 3.962 734 H LYS 96 H LYS 96 10.055 -0.815 6.725 735 HA LYS 96 HA LYS 96 9.862 1.998 5.980 736 1HB LYS 96 1HB LYS 96 11.596 2.379 7.651 737 2HB LYS 96 2HB LYS 96 10.275 1.440 8.335 738 1HG LYS 96 1HG LYS 96 11.603 -0.605 8.056 739 2HG LYS 96 2HG LYS 96 12.932 0.363 7.415 740 1HD LYS 96 1HD LYS 96 13.019 1.610 9.537 741 2HD LYS 96 2HD LYS 96 11.734 0.582 10.175 742 1HE LYS 96 1HE LYS 96 13.169 -1.383 9.878 743 2HE LYS 96 2HE LYS 96 14.452 -0.346 9.255 744 1HZ LYS 96 1HZ LYS 96 14.418 -1.045 11.745 745 2HZ LYS 96 2HZ LYS 96 13.316 0.228 11.902 746 3HZ LYS 96 3HZ LYS 96 14.873 0.526 11.313 747 H GLN 97 H GLN 97 12.236 -0.641 5.836 748 HA GLN 97 HA GLN 97 14.102 0.843 4.279 749 1HB GLN 97 1HB GLN 97 13.852 -2.144 4.688 750 2HB GLN 97 2HB GLN 97 15.238 -1.328 3.977 751 1HG GLN 97 1HG GLN 97 15.622 -0.149 6.085 752 2HG GLN 97 2HG GLN 97 14.242 -0.985 6.796 753 1HE2 GLN 97 1HE2 GLN 97 14.793 -2.613 8.035 754 2HE2 GLN 97 2HE2 GLN 97 16.163 -3.644 7.827 755 H ALA 98 H ALA 98 11.416 -1.279 3.588 756 HA ALA 98 HA ALA 98 11.957 -1.826 0.888 757 1HB ALA 98 1HB ALA 98 9.144 -1.471 1.800 758 2HB ALA 98 2HB ALA 98 10.120 -2.746 2.528 759 3HB ALA 98 3HB ALA 98 9.850 -2.728 0.785 760 H ILE 99 H ILE 99 10.586 0.945 2.492 761 HA ILE 99 HA ILE 99 9.800 2.209 -0.008 762 HB ILE 99 HB ILE 99 9.686 3.272 2.818 763 1HG1 ILE 99 1HG1 ILE 99 7.529 2.022 1.102 764 2HG1 ILE 99 2HG1 ILE 99 8.283 1.277 2.507 765 1HG2 ILE 99 1HG2 ILE 99 7.805 4.646 1.478 766 2HG2 ILE 99 2HG2 ILE 99 8.971 4.392 0.182 767 3HG2 ILE 99 3HG2 ILE 99 9.467 5.205 1.665 768 1HD1 ILE 99 1HD1 ILE 99 5.957 2.676 2.534 769 2HD1 ILE 99 2HD1 ILE 99 7.119 3.906 3.029 770 3HD1 ILE 99 3HD1 ILE 99 6.988 2.399 3.936 771 H ALA 100 H ALA 100 12.619 1.890 1.744 772 HA ALA 100 HA ALA 100 13.632 4.565 1.218 773 1HB ALA 100 1HB ALA 100 14.560 2.225 2.796 774 2HB ALA 100 2HB ALA 100 14.463 3.928 3.246 775 3HB ALA 100 3HB ALA 100 15.771 3.364 2.206 776 H ALA 101 H ALA 101 14.892 1.285 0.606 777 HA ALA 101 HA ALA 101 16.783 1.922 -1.286 778 1HB ALA 101 1HB ALA 101 15.244 -0.506 -0.619 779 2HB ALA 101 2HB ALA 101 16.985 -0.266 -0.757 780 3HB ALA 101 3HB ALA 101 16.008 -0.482 -2.208 781 H ASN 102 H ASN 102 13.316 1.710 -1.650 782 HA ASN 102 HA ASN 102 13.470 1.899 -4.540 783 1HB ASN 102 1HB ASN 102 11.219 1.638 -2.557 784 2HB ASN 102 2HB ASN 102 10.929 1.961 -4.268 785 1HD2 ASN 102 1HD2 ASN 102 11.003 -0.401 -2.051 786 2HD2 ASN 102 2HD2 ASN 102 11.399 -1.755 -3.048 787 H ALA 103 H ALA 103 11.627 3.713 -2.084 788 HA ALA 103 HA ALA 103 11.396 6.016 -3.737 789 1HB ALA 103 1HB ALA 103 10.027 5.128 -1.600 790 2HB ALA 103 2HB ALA 103 9.979 6.799 -2.164 791 3HB ALA 103 3HB ALA 103 11.040 6.349 -0.828 Start of MODEL 8 1 1H MET 1 1H MET 1 -0.560 13.558 3.252 2 2H MET 1 2H MET 1 -0.512 12.260 2.130 3 3H MET 1 3H MET 1 0.378 12.165 3.596 4 HA MET 1 HA MET 1 -1.498 11.941 4.873 5 1HB MET 1 1HB MET 1 -3.755 12.272 3.947 6 2HB MET 1 2HB MET 1 -2.776 13.725 3.799 7 1HG MET 1 1HG MET 1 -2.351 13.206 1.454 8 2HG MET 1 2HG MET 1 -3.325 11.745 1.602 9 1HE MET 1 1HE MET 1 -6.833 12.754 1.889 10 2HE MET 1 2HE MET 1 -6.103 13.253 3.415 11 3HE MET 1 3HE MET 1 -5.569 11.770 2.624 12 H VAL 2 H VAL 2 -3.556 10.332 4.370 13 HA VAL 2 HA VAL 2 -2.585 8.184 2.620 14 HB VAL 2 HB VAL 2 -3.537 7.724 5.451 15 1HG1 VAL 2 1HG1 VAL 2 -2.407 5.810 3.411 16 2HG1 VAL 2 2HG1 VAL 2 -4.098 5.914 3.904 17 3HG1 VAL 2 3HG1 VAL 2 -2.870 5.410 5.066 18 1HG2 VAL 2 1HG2 VAL 2 -1.135 6.905 5.733 19 2HG2 VAL 2 2HG2 VAL 2 -1.392 8.649 5.677 20 3HG2 VAL 2 3HG2 VAL 2 -0.783 7.801 4.256 21 H THR 3 H THR 3 -4.173 6.938 1.676 22 HA THR 3 HA THR 3 -6.946 7.281 2.476 23 HB THR 3 HB THR 3 -5.980 8.028 -0.293 24 HG1 THR 3 HG1 THR 3 -7.117 9.589 1.782 25 1HG2 THR 3 1HG2 THR 3 -8.744 7.814 0.845 26 2HG2 THR 3 2HG2 THR 3 -8.100 7.095 -0.632 27 3HG2 THR 3 3HG2 THR 3 -8.365 8.836 -0.541 28 H GLN 4 H GLN 4 -8.403 5.848 1.176 29 HA GLN 4 HA GLN 4 -6.987 3.357 0.507 30 1HB GLN 4 1HB GLN 4 -9.907 3.718 1.204 31 2HB GLN 4 2HB GLN 4 -9.067 2.195 0.984 32 1HG GLN 4 1HG GLN 4 -9.273 2.456 3.294 33 2HG GLN 4 2HG GLN 4 -7.602 2.858 2.925 34 1HE2 GLN 4 1HE2 GLN 4 -10.011 5.203 2.110 35 2HE2 GLN 4 2HE2 GLN 4 -9.689 6.286 3.411 36 H PHE 5 H PHE 5 -8.644 1.980 -1.010 37 HA PHE 5 HA PHE 5 -9.437 3.741 -3.223 38 1HB PHE 5 1HB PHE 5 -7.831 1.190 -3.441 39 2HB PHE 5 2HB PHE 5 -8.600 1.993 -4.817 40 HD1 PHE 5 HD1 PHE 5 -8.014 4.850 -3.871 41 HD2 PHE 5 HD2 PHE 5 -5.595 1.357 -4.188 42 HE1 PHE 5 HE1 PHE 5 -6.027 6.263 -4.214 43 HE2 PHE 5 HE2 PHE 5 -3.608 2.767 -4.530 44 HZ PHE 5 HZ PHE 5 -3.822 5.218 -4.545 45 H LYS 6 H LYS 6 -11.359 3.352 -4.077 46 HA LYS 6 HA LYS 6 -12.743 0.869 -3.300 47 1HB LYS 6 1HB LYS 6 -13.908 3.602 -3.873 48 2HB LYS 6 2HB LYS 6 -14.850 2.158 -3.524 49 1HG LYS 6 1HG LYS 6 -12.893 3.483 -1.658 50 2HG LYS 6 2HG LYS 6 -14.653 3.582 -1.565 51 1HD LYS 6 1HD LYS 6 -14.764 1.156 -1.226 52 2HD LYS 6 2HD LYS 6 -13.005 1.066 -1.309 53 1HE LYS 6 1HE LYS 6 -13.773 1.047 1.004 54 2HE LYS 6 2HE LYS 6 -12.834 2.499 0.661 55 1HZ LYS 6 1HZ LYS 6 -14.722 3.823 0.684 56 2HZ LYS 6 2HZ LYS 6 -15.004 2.745 1.957 57 3HZ LYS 6 3HZ LYS 6 -15.780 2.519 0.470 58 H THR 7 H THR 7 -11.650 2.824 -5.898 59 HA THR 7 HA THR 7 -12.807 0.932 -7.801 60 HB THR 7 HB THR 7 -13.416 2.769 -9.338 61 HG1 THR 7 HG1 THR 7 -13.454 4.886 -8.521 62 1HG2 THR 7 1HG2 THR 7 -14.849 2.009 -7.073 63 2HG2 THR 7 2HG2 THR 7 -15.469 2.792 -8.526 64 3HG2 THR 7 3HG2 THR 7 -14.968 3.767 -7.144 65 H ALA 8 H ALA 8 -11.445 0.398 -9.445 66 HA ALA 8 HA ALA 8 -8.728 0.825 -9.223 67 1HB ALA 8 1HB ALA 8 -8.478 -0.202 -11.346 68 2HB ALA 8 2HB ALA 8 -10.098 0.285 -11.847 69 3HB ALA 8 3HB ALA 8 -9.893 -0.942 -10.597 70 H SER 9 H SER 9 -11.124 2.821 -10.736 71 HA SER 9 HA SER 9 -9.490 4.390 -12.385 72 1HB SER 9 1HB SER 9 -11.954 5.210 -10.826 73 2HB SER 9 2HB SER 9 -11.254 6.102 -12.179 74 HG SER 9 HG SER 9 -11.620 4.140 -13.434 75 H GLU 10 H GLU 10 -9.715 4.169 -8.971 76 HA GLU 10 HA GLU 10 -8.563 6.774 -8.523 77 1HB GLU 10 1HB GLU 10 -10.333 5.920 -7.029 78 2HB GLU 10 2HB GLU 10 -9.260 4.613 -6.545 79 1HG GLU 10 1HG GLU 10 -9.300 6.373 -4.889 80 2HG GLU 10 2HG GLU 10 -7.700 6.222 -5.613 81 H PHE 11 H PHE 11 -7.668 3.410 -8.329 82 HA PHE 11 HA PHE 11 -5.013 4.054 -7.381 83 1HB PHE 11 1HB PHE 11 -6.335 2.051 -6.563 84 2HB PHE 11 2HB PHE 11 -6.061 1.331 -8.143 85 HD1 PHE 11 HD1 PHE 11 -5.165 -0.398 -6.308 86 HD2 PHE 11 HD2 PHE 11 -3.223 3.219 -7.441 87 HE1 PHE 11 HE1 PHE 11 -3.018 -1.297 -5.507 88 HE2 PHE 11 HE2 PHE 11 -1.079 2.321 -6.645 89 HZ PHE 11 HZ PHE 11 -0.975 0.064 -5.677 90 H ASP 12 H ASP 12 -6.192 4.619 -10.198 91 HA ASP 12 HA ASP 12 -4.346 3.121 -11.873 92 1HB ASP 12 1HB ASP 12 -6.638 3.496 -12.676 93 2HB ASP 12 2HB ASP 12 -6.388 5.237 -12.594 94 H SER 13 H SER 13 -4.985 6.485 -10.946 95 HA SER 13 HA SER 13 -2.667 7.467 -12.344 96 1HB SER 13 1HB SER 13 -4.652 8.884 -12.107 97 2HB SER 13 2HB SER 13 -4.492 8.835 -10.351 98 HG SER 13 HG SER 13 -2.766 10.048 -12.237 99 H ALA 14 H ALA 14 -3.367 6.252 -9.188 100 HA ALA 14 HA ALA 14 -1.447 7.495 -7.620 101 1HB ALA 14 1HB ALA 14 -3.282 5.572 -7.177 102 2HB ALA 14 2HB ALA 14 -1.991 5.975 -6.045 103 3HB ALA 14 3HB ALA 14 -1.806 4.609 -7.145 104 H ILE 15 H ILE 15 -1.117 4.507 -9.531 105 HA ILE 15 HA ILE 15 1.722 4.387 -9.004 106 HB ILE 15 HB ILE 15 1.722 2.394 -10.437 107 1HG1 ILE 15 1HG1 ILE 15 -1.226 3.008 -10.762 108 2HG1 ILE 15 2HG1 ILE 15 -0.012 2.980 -12.036 109 1HG2 ILE 15 1HG2 ILE 15 0.947 1.075 -8.775 110 2HG2 ILE 15 2HG2 ILE 15 -0.600 1.917 -8.676 111 3HG2 ILE 15 3HG2 ILE 15 0.834 2.616 -7.924 112 1HD1 ILE 15 1HD1 ILE 15 0.187 0.648 -11.944 113 2HD1 ILE 15 2HD1 ILE 15 -1.544 0.977 -11.863 114 3HD1 ILE 15 3HD1 ILE 15 -0.658 0.554 -10.398 115 H ALA 16 H ALA 16 -0.319 4.873 -11.884 116 HA ALA 16 HA ALA 16 1.471 5.105 -13.880 117 1HB ALA 16 1HB ALA 16 -0.040 6.496 -15.036 118 2HB ALA 16 2HB ALA 16 -0.685 7.170 -13.540 119 3HB ALA 16 3HB ALA 16 -1.026 5.495 -13.970 120 H GLN 17 H GLN 17 3.487 5.857 -13.415 121 HA GLN 17 HA GLN 17 5.158 7.299 -12.798 122 1HB GLN 17 1HB GLN 17 3.458 9.008 -14.613 123 2HB GLN 17 2HB GLN 17 5.110 9.392 -14.147 124 1HG GLN 17 1HG GLN 17 5.817 7.218 -15.144 125 2HG GLN 17 2HG GLN 17 4.168 7.029 -15.752 126 1HE2 GLN 17 1HE2 GLN 17 7.182 7.978 -16.564 127 2HE2 GLN 17 2HE2 GLN 17 6.818 9.056 -17.865 128 H ASP 18 H ASP 18 4.734 7.484 -10.572 129 HA ASP 18 HA ASP 18 4.258 10.166 -9.736 130 1HB ASP 18 1HB ASP 18 1.932 9.168 -9.990 131 2HB ASP 18 2HB ASP 18 2.345 8.095 -8.656 132 H LYS 19 H LYS 19 6.460 8.450 -9.554 133 HA LYS 19 HA LYS 19 8.073 7.855 -8.064 134 1HB LYS 19 1HB LYS 19 6.190 9.153 -6.110 135 2HB LYS 19 2HB LYS 19 7.835 8.676 -5.730 136 1HG LYS 19 1HG LYS 19 7.884 10.994 -6.135 137 2HG LYS 19 2HG LYS 19 8.593 10.221 -7.554 138 1HD LYS 19 1HD LYS 19 6.559 10.521 -8.801 139 2HD LYS 19 2HD LYS 19 5.719 11.118 -7.370 140 1HE LYS 19 1HE LYS 19 7.232 13.045 -7.301 141 2HE LYS 19 2HE LYS 19 8.061 12.442 -8.735 142 1HZ LYS 19 1HZ LYS 19 6.492 14.127 -9.358 143 2HZ LYS 19 2HZ LYS 19 5.229 13.319 -8.574 144 3HZ LYS 19 3HZ LYS 19 5.945 12.637 -9.945 145 H LEU 20 H LEU 20 7.698 6.947 -5.368 146 HA LEU 20 HA LEU 20 6.563 4.328 -5.982 147 1HB LEU 20 1HB LEU 20 8.839 4.319 -5.160 148 2HB LEU 20 2HB LEU 20 8.366 5.268 -3.750 149 HG LEU 20 HG LEU 20 6.960 3.367 -2.991 150 1HD1 LEU 20 1HD1 LEU 20 6.632 1.498 -4.171 151 2HD1 LEU 20 2HD1 LEU 20 8.302 1.437 -4.734 152 3HD1 LEU 20 3HD1 LEU 20 7.131 2.473 -5.551 153 1HD2 LEU 20 1HD2 LEU 20 9.050 3.508 -1.952 154 2HD2 LEU 20 2HD2 LEU 20 9.907 2.999 -3.406 155 3HD2 LEU 20 3HD2 LEU 20 8.944 1.834 -2.499 156 H VAL 21 H VAL 21 4.577 3.928 -5.374 157 HA VAL 21 HA VAL 21 3.442 5.360 -3.078 158 HB VAL 21 HB VAL 21 2.011 3.793 -5.231 159 1HG1 VAL 21 1HG1 VAL 21 0.834 5.706 -3.227 160 2HG1 VAL 21 2HG1 VAL 21 0.888 3.960 -2.985 161 3HG1 VAL 21 3HG1 VAL 21 -0.020 4.634 -4.336 162 1HG2 VAL 21 1HG2 VAL 21 2.900 6.597 -5.054 163 2HG2 VAL 21 2HG2 VAL 21 1.242 6.349 -5.601 164 3HG2 VAL 21 3HG2 VAL 21 2.578 5.593 -6.468 165 H VAL 22 H VAL 22 2.791 4.307 -1.282 166 HA VAL 22 HA VAL 22 3.310 1.423 -1.169 167 HB VAL 22 HB VAL 22 2.876 3.363 1.109 168 1HG1 VAL 22 1HG1 VAL 22 2.285 1.149 1.790 169 2HG1 VAL 22 2HG1 VAL 22 3.871 1.519 2.466 170 3HG1 VAL 22 3HG1 VAL 22 3.739 0.476 1.051 171 1HG2 VAL 22 1HG2 VAL 22 4.952 3.690 -0.328 172 2HG2 VAL 22 2HG2 VAL 22 5.488 2.127 0.285 173 3HG2 VAL 22 3HG2 VAL 22 5.208 3.462 1.401 174 H VAL 23 H VAL 23 1.430 0.593 -2.050 175 HA VAL 23 HA VAL 23 -1.104 1.322 -0.775 176 HB VAL 23 HB VAL 23 -0.642 -0.377 -3.232 177 1HG1 VAL 23 1HG1 VAL 23 -3.140 0.350 -3.527 178 2HG1 VAL 23 2HG1 VAL 23 -3.079 0.534 -1.774 179 3HG1 VAL 23 3HG1 VAL 23 -2.723 -1.029 -2.509 180 1HG2 VAL 23 1HG2 VAL 23 -1.892 1.940 -4.030 181 2HG2 VAL 23 2HG2 VAL 23 -0.177 1.573 -4.222 182 3HG2 VAL 23 3HG2 VAL 23 -0.729 2.510 -2.834 183 H ASP 24 H ASP 24 -1.981 0.072 0.708 184 HA ASP 24 HA ASP 24 -0.903 -2.618 1.122 185 1HB ASP 24 1HB ASP 24 -0.839 -1.056 3.029 186 2HB ASP 24 2HB ASP 24 -2.598 -0.883 2.940 187 H PHE 25 H PHE 25 -2.084 -4.397 0.721 188 HA PHE 25 HA PHE 25 -4.855 -4.060 -0.129 189 1HB PHE 25 1HB PHE 25 -2.765 -6.191 -0.536 190 2HB PHE 25 2HB PHE 25 -4.464 -6.480 -0.908 191 HD1 PHE 25 HD1 PHE 25 -2.089 -3.656 -1.533 192 HD2 PHE 25 HD2 PHE 25 -4.879 -6.442 -3.114 193 HE1 PHE 25 HE1 PHE 25 -1.725 -2.728 -3.781 194 HE2 PHE 25 HE2 PHE 25 -4.540 -5.513 -5.362 195 HZ PHE 25 HZ PHE 25 -2.966 -3.647 -5.702 196 H TYR 26 H TYR 26 -4.616 -3.788 2.531 197 HA TYR 26 HA TYR 26 -4.634 -5.989 4.172 198 1HB TYR 26 1HB TYR 26 -6.249 -4.613 5.602 199 2HB TYR 26 2HB TYR 26 -4.696 -3.880 5.216 200 HD1 TYR 26 HD1 TYR 26 -8.072 -4.078 3.587 201 HD2 TYR 26 HD2 TYR 26 -4.810 -1.615 4.765 202 HE1 TYR 26 HE1 TYR 26 -9.222 -2.121 2.665 203 HE2 TYR 26 HE2 TYR 26 -5.957 0.334 3.895 204 HH TYR 26 HH TYR 26 -7.678 0.884 2.239 205 H ALA 27 H ALA 27 -6.005 -7.614 4.647 206 HA ALA 27 HA ALA 27 -8.030 -8.308 2.834 207 1HB ALA 27 1HB ALA 27 -7.453 -9.295 5.619 208 2HB ALA 27 2HB ALA 27 -6.979 -10.036 4.088 209 3HB ALA 27 3HB ALA 27 -8.676 -10.003 4.567 210 H THR 28 H THR 28 -10.316 -8.416 3.138 211 HA THR 28 HA THR 28 -11.351 -6.068 4.398 212 HB THR 28 HB THR 28 -12.339 -6.697 2.334 213 HG1 THR 28 HG1 THR 28 -14.572 -7.149 3.087 214 1HG2 THR 28 1HG2 THR 28 -12.876 -9.370 3.598 215 2HG2 THR 28 2HG2 THR 28 -11.924 -9.020 2.155 216 3HG2 THR 28 3HG2 THR 28 -13.674 -8.807 2.132 217 H TRP 29 H TRP 29 -10.435 -8.879 5.736 218 HA TRP 29 HA TRP 29 -12.492 -8.746 7.829 219 1HB TRP 29 1HB TRP 29 -12.033 -11.265 8.105 220 2HB TRP 29 2HB TRP 29 -12.964 -10.767 6.686 221 HD1 TRP 29 HD1 TRP 29 -11.426 -10.501 4.353 222 HE1 TRP 29 HE1 TRP 29 -9.527 -12.018 3.513 223 HE3 TRP 29 HE3 TRP 29 -10.213 -12.825 8.755 224 HZ2 TRP 29 HZ2 TRP 29 -7.746 -13.922 4.565 225 HZ3 TRP 29 HZ3 TRP 29 -8.391 -14.466 8.749 226 HH2 TRP 29 HH2 TRP 29 -7.183 -15.009 6.697 227 H CYS 30 H CYS 30 -10.445 -11.105 8.723 228 HA CYS 30 HA CYS 30 -8.780 -11.371 10.198 229 1HB CYS 30 1HB CYS 30 -7.418 -10.336 8.465 230 2HB CYS 30 2HB CYS 30 -7.891 -8.743 9.036 231 HG CYS 30 HG CYS 30 -6.571 -9.976 11.329 232 H GLY 31 H GLY 31 -8.950 -7.823 10.340 233 1HA GLY 31 1HA GLY 31 -10.540 -7.054 12.241 234 2HA GLY 31 2HA GLY 31 -9.469 -8.045 13.222 235 HA PRO 32 HA PRO 32 -6.792 -4.554 13.624 236 1HB PRO 32 1HB PRO 32 -4.390 -5.693 14.014 237 2HB PRO 32 2HB PRO 32 -5.693 -5.840 15.200 238 1HG PRO 32 1HG PRO 32 -4.787 -7.803 13.128 239 2HG PRO 32 2HG PRO 32 -5.232 -8.089 14.820 240 1HD PRO 32 1HD PRO 32 -6.918 -8.544 12.716 241 2HD PRO 32 2HD PRO 32 -7.475 -8.141 14.350 242 H CYS 33 H CYS 33 -7.392 -4.864 10.954 243 HA CYS 33 HA CYS 33 -4.790 -4.602 9.599 244 1HB CYS 33 1HB CYS 33 -7.500 -5.423 8.540 245 2HB CYS 33 2HB CYS 33 -6.137 -5.020 7.492 246 HG CYS 33 HG CYS 33 -5.139 -7.219 7.921 247 H LYS 34 H LYS 34 -7.847 -3.080 10.304 248 HA LYS 34 HA LYS 34 -7.491 -0.912 8.444 249 1HB LYS 34 1HB LYS 34 -9.435 -1.279 10.730 250 2HB LYS 34 2HB LYS 34 -9.479 0.056 9.588 251 1HG LYS 34 1HG LYS 34 -9.789 -2.854 8.877 252 2HG LYS 34 2HG LYS 34 -11.105 -1.690 9.043 253 1HD LYS 34 1HD LYS 34 -10.138 -0.351 7.229 254 2HD LYS 34 2HD LYS 34 -8.836 -1.530 7.059 255 1HE LYS 34 1HE LYS 34 -10.462 -3.254 6.476 256 2HE LYS 34 2HE LYS 34 -11.775 -2.094 6.675 257 1HZ LYS 34 1HZ LYS 34 -11.453 -1.334 4.630 258 2HZ LYS 34 2HZ LYS 34 -10.381 -2.616 4.369 259 3HZ LYS 34 3HZ LYS 34 -9.794 -1.116 4.882 260 H MET 35 H MET 35 -6.333 -1.626 11.566 261 HA MET 35 HA MET 35 -6.102 1.062 12.529 262 1HB MET 35 1HB MET 35 -4.685 -1.468 13.373 263 2HB MET 35 2HB MET 35 -4.621 0.058 14.242 264 1HG MET 35 1HG MET 35 -7.035 -0.055 14.611 265 2HG MET 35 2HG MET 35 -7.091 -1.591 13.748 266 1HE MET 35 1HE MET 35 -7.951 -1.449 17.380 267 2HE MET 35 2HE MET 35 -7.868 -3.132 16.856 268 3HE MET 35 3HE MET 35 -8.493 -1.897 15.763 269 H ILE 36 H ILE 36 -4.711 -0.280 9.952 270 HA ILE 36 HA ILE 36 -1.973 0.530 10.332 271 HB ILE 36 HB ILE 36 -3.387 -0.348 7.815 272 1HG1 ILE 36 1HG1 ILE 36 -1.763 -1.961 9.795 273 2HG1 ILE 36 2HG1 ILE 36 -3.509 -2.056 9.584 274 1HG2 ILE 36 1HG2 ILE 36 -0.776 0.673 8.301 275 2HG2 ILE 36 2HG2 ILE 36 -1.493 0.130 6.783 276 3HG2 ILE 36 3HG2 ILE 36 -0.649 -1.019 7.819 277 1HD1 ILE 36 1HD1 ILE 36 -2.634 -2.514 7.055 278 2HD1 ILE 36 2HD1 ILE 36 -3.029 -3.765 8.235 279 3HD1 ILE 36 3HD1 ILE 36 -1.354 -3.253 8.020 280 H ALA 37 H ALA 37 -4.889 1.886 9.015 281 HA ALA 37 HA ALA 37 -4.052 3.734 7.194 282 1HB ALA 37 1HB ALA 37 -6.114 4.583 7.377 283 2HB ALA 37 2HB ALA 37 -5.958 4.858 9.111 284 3HB ALA 37 3HB ALA 37 -6.388 3.258 8.507 285 HA PRO 38 HA PRO 38 -2.816 6.854 10.636 286 1HB PRO 38 1HB PRO 38 -2.252 5.864 13.106 287 2HB PRO 38 2HB PRO 38 -3.858 6.447 12.640 288 1HG PRO 38 1HG PRO 38 -2.847 3.659 12.886 289 2HG PRO 38 2HG PRO 38 -4.455 4.310 13.242 290 1HD PRO 38 1HD PRO 38 -3.789 2.910 10.968 291 2HD PRO 38 2HD PRO 38 -5.163 4.009 11.092 292 H MET 39 H MET 39 -1.481 3.593 10.925 293 HA MET 39 HA MET 39 1.190 4.388 11.448 294 1HB MET 39 1HB MET 39 0.407 2.100 11.864 295 2HB MET 39 2HB MET 39 0.133 1.860 10.152 296 1HG MET 39 1HG MET 39 2.501 2.104 9.754 297 2HG MET 39 2HG MET 39 2.786 2.366 11.466 298 1HE MET 39 1HE MET 39 2.142 -0.942 13.127 299 2HE MET 39 2HE MET 39 0.623 -0.187 12.647 300 3HE MET 39 3HE MET 39 1.959 0.809 13.226 301 H ILE 40 H ILE 40 -0.462 3.345 8.478 302 HA ILE 40 HA ILE 40 1.527 3.649 6.613 303 HB ILE 40 HB ILE 40 -1.409 4.351 6.355 304 1HG1 ILE 40 1HG1 ILE 40 0.117 1.864 5.559 305 2HG1 ILE 40 2HG1 ILE 40 -0.929 2.020 6.963 306 1HG2 ILE 40 1HG2 ILE 40 -0.475 5.439 4.523 307 2HG2 ILE 40 2HG2 ILE 40 -0.909 3.859 3.870 308 3HG2 ILE 40 3HG2 ILE 40 0.767 4.205 4.298 309 1HD1 ILE 40 1HD1 ILE 40 -2.507 2.819 4.823 310 2HD1 ILE 40 2HD1 ILE 40 -2.588 1.283 5.684 311 3HD1 ILE 40 3HD1 ILE 40 -1.604 1.429 4.228 312 H GLU 41 H GLU 41 -0.270 6.109 8.301 313 HA GLU 41 HA GLU 41 0.556 8.284 6.629 314 1HB GLU 41 1HB GLU 41 -1.528 8.404 7.876 315 2HB GLU 41 2HB GLU 41 -0.664 8.225 9.397 316 1HG GLU 41 1HG GLU 41 0.448 10.370 9.011 317 2HG GLU 41 2HG GLU 41 -0.423 10.545 7.489 318 H LYS 42 H LYS 42 1.653 6.841 9.644 319 HA LYS 42 HA LYS 42 3.457 8.824 10.444 320 1HB LYS 42 1HB LYS 42 3.540 5.836 10.887 321 2HB LYS 42 2HB LYS 42 4.570 6.991 11.720 322 1HG LYS 42 1HG LYS 42 2.599 8.047 12.689 323 2HG LYS 42 2HG LYS 42 1.570 6.881 11.853 324 1HD LYS 42 1HD LYS 42 2.653 5.055 13.066 325 2HD LYS 42 2HD LYS 42 3.688 6.219 13.898 326 1HE LYS 42 1HE LYS 42 1.713 7.267 14.876 327 2HE LYS 42 2HE LYS 42 0.683 6.102 14.047 328 1HZ LYS 42 1HZ LYS 42 1.211 4.469 15.494 329 2HZ LYS 42 2HZ LYS 42 1.523 5.768 16.532 330 3HZ LYS 42 3HZ LYS 42 2.799 5.008 15.722 331 H PHE 43 H PHE 43 3.652 6.516 7.886 332 HA PHE 43 HA PHE 43 6.538 6.774 7.641 333 1HB PHE 43 1HB PHE 43 4.503 5.216 6.038 334 2HB PHE 43 2HB PHE 43 6.228 5.235 5.679 335 HD1 PHE 43 HD1 PHE 43 4.034 4.728 8.653 336 HD2 PHE 43 HD2 PHE 43 7.421 3.433 6.430 337 HE1 PHE 43 HE1 PHE 43 4.377 2.891 10.255 338 HE2 PHE 43 HE2 PHE 43 7.771 1.593 8.024 339 HZ PHE 43 HZ PHE 43 6.247 1.320 9.941 340 H SER 44 H SER 44 3.742 8.332 6.471 341 HA SER 44 HA SER 44 4.810 9.188 3.959 342 1HB SER 44 1HB SER 44 2.390 9.068 4.312 343 2HB SER 44 2HB SER 44 2.505 10.289 5.590 344 HG SER 44 HG SER 44 3.286 11.744 3.983 345 H GLU 45 H GLU 45 5.576 10.012 7.100 346 HA GLU 45 HA GLU 45 6.130 12.814 6.551 347 1HB GLU 45 1HB GLU 45 5.248 12.202 8.751 348 2HB GLU 45 2HB GLU 45 6.627 11.145 9.023 349 1HG GLU 45 1HG GLU 45 8.121 13.074 8.963 350 2HG GLU 45 2HG GLU 45 6.739 14.136 8.689 351 H GLN 46 H GLN 46 7.782 9.758 6.716 352 HA GLN 46 HA GLN 46 10.406 11.011 6.685 353 1HB GLN 46 1HB GLN 46 9.571 8.110 6.651 354 2HB GLN 46 2HB GLN 46 11.241 8.667 6.685 355 1HG GLN 46 1HG GLN 46 10.827 9.776 8.817 356 2HG GLN 46 2HG GLN 46 9.158 9.211 8.785 357 1HE2 GLN 46 1HE2 GLN 46 8.809 7.530 10.026 358 2HE2 GLN 46 2HE2 GLN 46 9.946 6.257 10.381 359 H TYR 47 H TYR 47 8.165 9.513 4.475 360 HA TYR 47 HA TYR 47 10.130 9.912 2.314 361 1HB TYR 47 1HB TYR 47 7.998 7.778 2.503 362 2HB TYR 47 2HB TYR 47 9.063 8.033 1.124 363 HD1 TYR 47 HD1 TYR 47 11.625 7.921 1.634 364 HD2 TYR 47 HD2 TYR 47 8.617 6.294 4.160 365 HE1 TYR 47 HE1 TYR 47 13.300 6.443 2.662 366 HE2 TYR 47 HE2 TYR 47 10.282 4.800 5.191 367 HH TYR 47 HH TYR 47 13.493 5.229 5.010 368 HA PRO 48 HA PRO 48 5.968 12.474 2.066 369 1HB PRO 48 1HB PRO 48 8.188 14.363 1.405 370 2HB PRO 48 2HB PRO 48 6.646 14.683 2.208 371 1HG PRO 48 1HG PRO 48 8.935 14.435 3.592 372 2HG PRO 48 2HG PRO 48 7.380 13.884 4.238 373 1HD PRO 48 1HD PRO 48 9.684 12.302 3.306 374 2HD PRO 48 2HD PRO 48 8.340 11.831 4.367 375 H GLN 49 H GLN 49 8.864 12.064 0.146 376 HA GLN 49 HA GLN 49 7.886 13.030 -2.306 377 1HB GLN 49 1HB GLN 49 9.984 10.923 -1.764 378 2HB GLN 49 2HB GLN 49 9.698 11.669 -3.331 379 1HG GLN 49 1HG GLN 49 10.586 13.083 -0.825 380 2HG GLN 49 2HG GLN 49 11.602 12.673 -2.207 381 1HE2 GLN 49 1HE2 GLN 49 10.023 15.126 -0.778 382 2HE2 GLN 49 2HE2 GLN 49 9.727 16.139 -2.145 383 H ALA 50 H ALA 50 7.719 9.864 -0.787 384 HA ALA 50 HA ALA 50 6.372 8.712 -3.092 385 1HB ALA 50 1HB ALA 50 7.631 7.680 -0.631 386 2HB ALA 50 2HB ALA 50 7.665 7.048 -2.278 387 3HB ALA 50 3HB ALA 50 6.260 6.760 -1.251 388 H ASP 51 H ASP 51 4.259 7.917 -3.073 389 HA ASP 51 HA ASP 51 2.480 9.312 -1.239 390 1HB ASP 51 1HB ASP 51 1.877 7.622 -3.678 391 2HB ASP 51 2HB ASP 51 0.685 8.525 -2.748 392 H PHE 52 H PHE 52 0.790 8.230 -0.085 393 HA PHE 52 HA PHE 52 1.309 5.375 0.391 394 1HB PHE 52 1HB PHE 52 0.814 7.516 2.466 395 2HB PHE 52 2HB PHE 52 0.770 5.779 2.806 396 HD1 PHE 52 HD1 PHE 52 3.036 8.225 1.118 397 HD2 PHE 52 HD2 PHE 52 2.660 4.879 3.717 398 HE1 PHE 52 HE1 PHE 52 5.472 8.230 1.469 399 HE2 PHE 52 HE2 PHE 52 5.093 4.877 4.074 400 HZ PHE 52 HZ PHE 52 6.503 6.553 2.951 401 H TYR 53 H TYR 53 -0.410 4.656 -0.784 402 HA TYR 53 HA TYR 53 -3.082 5.553 0.053 403 1HB TYR 53 1HB TYR 53 -2.071 4.315 -2.498 404 2HB TYR 53 2HB TYR 53 -3.784 4.319 -2.093 405 HD1 TYR 53 HD1 TYR 53 -4.759 6.681 -1.443 406 HD2 TYR 53 HD2 TYR 53 -1.220 6.084 -3.725 407 HE1 TYR 53 HE1 TYR 53 -4.984 8.943 -2.375 408 HE2 TYR 53 HE2 TYR 53 -1.433 8.346 -4.661 409 HH TYR 53 HH TYR 53 -3.190 10.023 -5.043 410 H LYS 54 H LYS 54 -4.733 3.626 -0.391 411 HA LYS 54 HA LYS 54 -3.640 1.129 0.687 412 1HB LYS 54 1HB LYS 54 -6.108 2.453 1.824 413 2HB LYS 54 2HB LYS 54 -5.324 0.983 2.389 414 1HG LYS 54 1HG LYS 54 -3.612 2.110 3.397 415 2HG LYS 54 2HG LYS 54 -3.762 3.513 2.346 416 1HD LYS 54 1HD LYS 54 -4.492 4.080 4.582 417 2HD LYS 54 2HD LYS 54 -5.864 4.114 3.477 418 1HE LYS 54 1HE LYS 54 -6.426 3.063 5.616 419 2HE LYS 54 2HE LYS 54 -6.584 1.940 4.270 420 1HZ LYS 54 1HZ LYS 54 -4.379 1.053 4.852 421 2HZ LYS 54 2HZ LYS 54 -5.500 0.862 6.105 422 3HZ LYS 54 3HZ LYS 54 -4.329 2.079 6.196 423 H LEU 55 H LEU 55 -4.812 -0.724 0.144 424 HA LEU 55 HA LEU 55 -6.802 -0.312 -1.981 425 1HB LEU 55 1HB LEU 55 -4.638 -1.494 -2.526 426 2HB LEU 55 2HB LEU 55 -5.151 -2.779 -1.455 427 HG LEU 55 HG LEU 55 -5.532 -3.270 -3.858 428 1HD1 LEU 55 1HD1 LEU 55 -7.123 -3.861 -1.729 429 2HD1 LEU 55 2HD1 LEU 55 -7.293 -4.548 -3.343 430 3HD1 LEU 55 3HD1 LEU 55 -8.281 -3.169 -2.864 431 1HD2 LEU 55 1HD2 LEU 55 -7.322 -2.138 -5.044 432 2HD2 LEU 55 2HD2 LEU 55 -6.072 -0.987 -4.570 433 3HD2 LEU 55 3HD2 LEU 55 -7.583 -1.070 -3.665 434 H ASP 56 H ASP 56 -8.760 -1.329 -1.933 435 HA ASP 56 HA ASP 56 -9.540 -2.462 0.646 436 1HB ASP 56 1HB ASP 56 -10.847 -0.581 -0.492 437 2HB ASP 56 2HB ASP 56 -11.370 -1.791 -1.663 438 H VAL 57 H VAL 57 -9.500 -4.596 0.872 439 HA VAL 57 HA VAL 57 -9.379 -6.355 -1.389 440 HB VAL 57 HB VAL 57 -9.445 -6.883 1.591 441 1HG1 VAL 57 1HG1 VAL 57 -8.700 -9.226 0.865 442 2HG1 VAL 57 2HG1 VAL 57 -9.367 -8.822 -0.717 443 3HG1 VAL 57 3HG1 VAL 57 -10.414 -8.842 0.702 444 1HG2 VAL 57 1HG2 VAL 57 -7.245 -7.251 -0.452 445 2HG2 VAL 57 2HG2 VAL 57 -7.117 -7.422 1.300 446 3HG2 VAL 57 3HG2 VAL 57 -7.418 -5.837 0.589 447 H ASP 58 H ASP 58 -11.949 -4.828 -0.009 448 HA ASP 58 HA ASP 58 -13.792 -7.079 -0.421 449 1HB ASP 58 1HB ASP 58 -13.987 -5.880 1.729 450 2HB ASP 58 2HB ASP 58 -14.298 -4.384 0.861 451 H GLU 59 H GLU 59 -13.222 -3.710 -1.315 452 HA GLU 59 HA GLU 59 -15.340 -3.754 -3.285 453 1HB GLU 59 1HB GLU 59 -14.862 -1.739 -1.915 454 2HB GLU 59 2HB GLU 59 -13.292 -1.603 -2.701 455 1HG GLU 59 1HG GLU 59 -14.819 -0.067 -3.720 456 2HG GLU 59 2HG GLU 59 -14.450 -1.352 -4.869 457 H LEU 60 H LEU 60 -11.807 -3.727 -3.213 458 HA LEU 60 HA LEU 60 -11.805 -4.151 -6.127 459 1HB LEU 60 1HB LEU 60 -9.628 -3.087 -4.328 460 2HB LEU 60 2HB LEU 60 -9.416 -3.442 -6.031 461 HG LEU 60 HG LEU 60 -11.146 -1.736 -6.560 462 1HD1 LEU 60 1HD1 LEU 60 -11.262 -0.109 -4.387 463 2HD1 LEU 60 2HD1 LEU 60 -11.348 -1.704 -3.640 464 3HD1 LEU 60 3HD1 LEU 60 -12.525 -1.242 -4.869 465 1HD2 LEU 60 1HD2 LEU 60 -9.025 -0.449 -4.891 466 2HD2 LEU 60 2HD2 LEU 60 -9.675 0.051 -6.452 467 3HD2 LEU 60 3HD2 LEU 60 -8.601 -1.343 -6.349 468 H GLY 61 H GLY 61 -12.427 -6.311 -4.540 469 1HA GLY 61 1HA GLY 61 -10.321 -7.900 -3.645 470 2HA GLY 61 2HA GLY 61 -11.852 -8.515 -4.249 471 H ASP 62 H ASP 62 -11.390 -7.247 -6.896 472 HA ASP 62 HA ASP 62 -10.215 -9.430 -8.198 473 1HB ASP 62 1HB ASP 62 -10.699 -6.664 -9.218 474 2HB ASP 62 2HB ASP 62 -10.326 -8.048 -10.226 475 H VAL 63 H VAL 63 -8.869 -6.465 -6.980 476 HA VAL 63 HA VAL 63 -6.394 -6.712 -8.433 477 HB VAL 63 HB VAL 63 -6.847 -4.993 -5.995 478 1HG1 VAL 63 1HG1 VAL 63 -4.575 -5.429 -7.360 479 2HG1 VAL 63 2HG1 VAL 63 -4.955 -3.899 -6.569 480 3HG1 VAL 63 3HG1 VAL 63 -5.238 -4.090 -8.299 481 1HG2 VAL 63 1HG2 VAL 63 -8.687 -4.558 -7.514 482 2HG2 VAL 63 2HG2 VAL 63 -7.563 -4.365 -8.859 483 3HG2 VAL 63 3HG2 VAL 63 -7.559 -3.203 -7.532 484 H ALA 64 H ALA 64 -7.465 -7.266 -5.083 485 HA ALA 64 HA ALA 64 -4.994 -8.065 -3.996 486 1HB ALA 64 1HB ALA 64 -6.509 -7.793 -2.324 487 2HB ALA 64 2HB ALA 64 -6.689 -9.534 -2.542 488 3HB ALA 64 3HB ALA 64 -7.848 -8.429 -3.280 489 H GLN 65 H GLN 65 -7.165 -9.631 -6.175 490 HA GLN 65 HA GLN 65 -6.018 -12.263 -5.733 491 1HB GLN 65 1HB GLN 65 -8.157 -11.290 -7.631 492 2HB GLN 65 2HB GLN 65 -7.621 -12.960 -7.527 493 1HG GLN 65 1HG GLN 65 -8.838 -11.395 -5.263 494 2HG GLN 65 2HG GLN 65 -9.711 -12.517 -6.301 495 1HE2 GLN 65 1HE2 GLN 65 -6.841 -13.973 -6.096 496 2HE2 GLN 65 2HE2 GLN 65 -7.068 -14.927 -4.678 497 H LYS 66 H LYS 66 -6.007 -9.702 -8.183 498 HA LYS 66 HA LYS 66 -4.666 -11.135 -10.192 499 1HB LYS 66 1HB LYS 66 -4.425 -9.124 -11.318 500 2HB LYS 66 2HB LYS 66 -5.793 -8.779 -10.271 501 1HG LYS 66 1HG LYS 66 -4.365 -7.575 -8.741 502 2HG LYS 66 2HG LYS 66 -2.943 -7.993 -9.697 503 1HD LYS 66 1HD LYS 66 -3.958 -6.789 -11.621 504 2HD LYS 66 2HD LYS 66 -5.270 -6.278 -10.558 505 1HE LYS 66 1HE LYS 66 -3.624 -4.514 -10.746 506 2HE LYS 66 2HE LYS 66 -3.632 -5.160 -9.106 507 1HZ LYS 66 1HZ LYS 66 -1.466 -5.485 -9.321 508 2HZ LYS 66 2HZ LYS 66 -1.493 -5.026 -10.947 509 3HZ LYS 66 3HZ LYS 66 -1.767 -6.639 -10.521 510 H ASN 67 H ASN 67 -3.419 -9.074 -7.585 511 HA ASN 67 HA ASN 67 -0.682 -9.588 -8.233 512 1HB ASN 67 1HB ASN 67 -2.008 -8.329 -5.821 513 2HB ASN 67 2HB ASN 67 -0.269 -8.370 -6.109 514 1HD2 ASN 67 1HD2 ASN 67 -2.883 -6.472 -6.291 515 2HD2 ASN 67 2HD2 ASN 67 -2.395 -5.395 -7.572 516 H GLU 68 H GLU 68 -3.044 -11.451 -6.835 517 HA GLU 68 HA GLU 68 -3.032 -13.422 -5.725 518 1HB GLU 68 1HB GLU 68 -0.026 -13.246 -5.999 519 2HB GLU 68 2HB GLU 68 -0.932 -14.677 -5.533 520 1HG GLU 68 1HG GLU 68 -2.022 -14.710 -7.709 521 2HG GLU 68 2HG GLU 68 -1.135 -13.261 -8.180 522 H VAL 69 H VAL 69 -3.179 -11.025 -4.245 523 HA VAL 69 HA VAL 69 -1.660 -11.707 -1.813 524 HB VAL 69 HB VAL 69 -2.983 -9.078 -2.491 525 1HG1 VAL 69 1HG1 VAL 69 -2.770 -9.652 -0.071 526 2HG1 VAL 69 2HG1 VAL 69 -1.887 -8.204 -0.555 527 3HG1 VAL 69 3HG1 VAL 69 -1.021 -9.723 -0.297 528 1HG2 VAL 69 1HG2 VAL 69 -0.767 -10.030 -3.706 529 2HG2 VAL 69 2HG2 VAL 69 -0.048 -9.254 -2.296 530 3HG2 VAL 69 3HG2 VAL 69 -1.061 -8.317 -3.397 531 H SER 70 H SER 70 -2.872 -12.963 -0.537 532 HA SER 70 HA SER 70 -5.659 -12.166 -0.074 533 1HB SER 70 1HB SER 70 -5.668 -14.233 -1.282 534 2HB SER 70 2HB SER 70 -4.516 -14.926 -0.137 535 HG SER 70 HG SER 70 -7.189 -14.148 0.382 536 H ALA 71 H ALA 71 -2.683 -12.259 1.325 537 HA ALA 71 HA ALA 71 -3.162 -13.335 3.875 538 1HB ALA 71 1HB ALA 71 -0.995 -12.277 2.621 539 2HB ALA 71 2HB ALA 71 -1.069 -12.662 4.341 540 3HB ALA 71 3HB ALA 71 -1.372 -11.012 3.792 541 H MET 72 H MET 72 -2.459 -11.088 5.583 542 HA MET 72 HA MET 72 -4.298 -8.983 5.306 543 1HB MET 72 1HB MET 72 -5.991 -9.595 6.935 544 2HB MET 72 2HB MET 72 -5.959 -10.738 5.602 545 1HG MET 72 1HG MET 72 -4.703 -11.189 8.290 546 2HG MET 72 2HG MET 72 -6.268 -11.806 7.783 547 1HE MET 72 1HE MET 72 -4.375 -13.534 9.060 548 2HE MET 72 2HE MET 72 -3.726 -14.826 8.050 549 3HE MET 72 3HE MET 72 -5.469 -14.602 8.182 550 HA PRO 73 HA PRO 73 -3.680 -7.260 5.318 551 1HB PRO 73 1HB PRO 73 -2.145 -5.143 5.633 552 2HB PRO 73 2HB PRO 73 -3.491 -5.422 6.759 553 1HG PRO 73 1HG PRO 73 -0.576 -6.026 7.110 554 2HG PRO 73 2HG PRO 73 -1.688 -5.237 8.240 555 1HD PRO 73 1HD PRO 73 -1.026 -7.909 8.331 556 2HD PRO 73 2HD PRO 73 -2.525 -7.221 8.992 557 H THR 74 H THR 74 -1.852 -5.787 3.892 558 HA THR 74 HA THR 74 0.582 -7.262 3.455 559 HB THR 74 HB THR 74 -1.511 -7.240 1.275 560 HG1 THR 74 HG1 THR 74 -1.234 -9.609 1.651 561 1HG2 THR 74 1HG2 THR 74 0.617 -9.098 0.865 562 2HG2 THR 74 2HG2 THR 74 1.277 -7.479 1.079 563 3HG2 THR 74 3HG2 THR 74 0.073 -7.779 -0.169 564 H LEU 75 H LEU 75 2.084 -6.138 2.192 565 HA LEU 75 HA LEU 75 1.277 -3.391 1.490 566 1HB LEU 75 1HB LEU 75 4.001 -4.408 2.293 567 2HB LEU 75 2HB LEU 75 3.607 -2.750 1.887 568 HG LEU 75 HG LEU 75 2.558 -4.281 4.267 569 1HD1 LEU 75 1HD1 LEU 75 4.641 -3.763 4.972 570 2HD1 LEU 75 2HD1 LEU 75 3.880 -2.204 5.294 571 3HD1 LEU 75 3HD1 LEU 75 4.822 -2.440 3.823 572 1HD2 LEU 75 1HD2 LEU 75 2.124 -1.410 3.445 573 2HD2 LEU 75 2HD2 LEU 75 1.579 -2.152 4.950 574 3HD2 LEU 75 3HD2 LEU 75 0.912 -2.690 3.408 575 H LEU 76 H LEU 76 1.326 -2.879 -0.594 576 HA LEU 76 HA LEU 76 3.093 -4.417 -2.385 577 1HB LEU 76 1HB LEU 76 0.424 -3.145 -3.013 578 2HB LEU 76 2HB LEU 76 1.472 -3.917 -4.200 579 HG LEU 76 HG LEU 76 -0.121 -5.186 -1.992 580 1HD1 LEU 76 1HD1 LEU 76 -0.557 -4.809 -4.705 581 2HD1 LEU 76 2HD1 LEU 76 -1.431 -5.903 -3.633 582 3HD1 LEU 76 3HD1 LEU 76 -0.056 -6.494 -4.567 583 1HD2 LEU 76 1HD2 LEU 76 2.308 -6.263 -3.383 584 2HD2 LEU 76 2HD2 LEU 76 1.042 -7.338 -2.790 585 3HD2 LEU 76 3HD2 LEU 76 1.910 -6.291 -1.666 586 H LEU 77 H LEU 77 4.579 -3.299 -3.519 587 HA LEU 77 HA LEU 77 4.412 -0.361 -3.425 588 1HB LEU 77 1HB LEU 77 6.827 -2.151 -3.693 589 2HB LEU 77 2HB LEU 77 6.869 -0.400 -3.744 590 HG LEU 77 HG LEU 77 6.012 -0.336 -1.420 591 1HD1 LEU 77 1HD1 LEU 77 6.049 -3.293 -1.797 592 2HD1 LEU 77 2HD1 LEU 77 4.843 -2.272 -1.015 593 3HD1 LEU 77 3HD1 LEU 77 6.369 -2.615 -0.201 594 1HD2 LEU 77 1HD2 LEU 77 8.379 -0.148 -1.779 595 2HD2 LEU 77 2HD2 LEU 77 8.543 -1.899 -1.899 596 3HD2 LEU 77 3HD2 LEU 77 8.099 -1.159 -0.362 597 H PHE 78 H PHE 78 4.685 0.849 -5.257 598 HA PHE 78 HA PHE 78 5.168 -0.510 -7.813 599 1HB PHE 78 1HB PHE 78 2.798 1.304 -7.284 600 2HB PHE 78 2HB PHE 78 3.192 0.542 -8.815 601 HD1 PHE 78 HD1 PHE 78 3.301 -2.078 -8.772 602 HD2 PHE 78 HD2 PHE 78 1.299 0.301 -5.871 603 HE1 PHE 78 HE1 PHE 78 1.922 -4.015 -8.143 604 HE2 PHE 78 HE2 PHE 78 -0.086 -1.630 -5.238 605 HZ PHE 78 HZ PHE 78 0.221 -3.788 -6.374 606 H LYS 79 H LYS 79 6.587 0.701 -9.055 607 HA LYS 79 HA LYS 79 6.634 3.606 -8.487 608 1HB LYS 79 1HB LYS 79 8.956 1.793 -9.107 609 2HB LYS 79 2HB LYS 79 9.053 3.538 -9.271 610 1HG LYS 79 1HG LYS 79 8.212 3.561 -6.817 611 2HG LYS 79 2HG LYS 79 8.778 1.891 -6.794 612 1HD LYS 79 1HD LYS 79 10.421 4.329 -7.484 613 2HD LYS 79 2HD LYS 79 10.511 3.400 -5.987 614 1HE LYS 79 1HE LYS 79 11.315 1.469 -7.184 615 2HE LYS 79 2HE LYS 79 11.095 2.290 -8.730 616 1HZ LYS 79 1HZ LYS 79 13.135 2.746 -6.658 617 2HZ LYS 79 2HZ LYS 79 12.709 4.006 -7.704 618 3HZ LYS 79 3HZ LYS 79 13.330 2.562 -8.329 619 H ASN 80 H ASN 80 6.544 5.023 -10.145 620 HA ASN 80 HA ASN 80 5.976 5.771 -12.213 621 1HB ASN 80 1HB ASN 80 8.078 3.739 -12.971 622 2HB ASN 80 2HB ASN 80 7.421 4.941 -14.080 623 1HD2 ASN 80 1HD2 ASN 80 10.005 4.299 -12.302 624 2HD2 ASN 80 2HD2 ASN 80 10.523 5.894 -11.891 625 H GLY 81 H GLY 81 3.919 4.440 -11.569 626 1HA GLY 81 1HA GLY 81 2.159 3.125 -12.222 627 2HA GLY 81 2HA GLY 81 2.675 3.546 -13.850 628 H LYS 82 H LYS 82 4.761 1.761 -11.735 629 HA LYS 82 HA LYS 82 4.090 -0.744 -13.110 630 1HB LYS 82 1HB LYS 82 6.866 0.386 -12.699 631 2HB LYS 82 2HB LYS 82 6.531 -1.243 -13.259 632 1HG LYS 82 1HG LYS 82 5.459 -0.377 -15.246 633 2HG LYS 82 2HG LYS 82 5.710 1.274 -14.683 634 1HD LYS 82 1HD LYS 82 8.133 0.926 -14.750 635 2HD LYS 82 2HD LYS 82 7.878 -0.725 -15.317 636 1HE LYS 82 1HE LYS 82 6.767 0.141 -17.322 637 2HE LYS 82 2HE LYS 82 7.028 1.790 -16.753 638 1HZ LYS 82 1HZ LYS 82 9.285 1.655 -17.131 639 2HZ LYS 82 2HZ LYS 82 8.668 0.767 -18.431 640 3HZ LYS 82 3HZ LYS 82 9.314 -0.037 -17.091 641 H GLU 83 H GLU 83 6.154 -2.224 -11.817 642 HA GLU 83 HA GLU 83 5.125 -2.199 -9.063 643 1HB GLU 83 1HB GLU 83 4.646 -4.205 -10.477 644 2HB GLU 83 2HB GLU 83 6.373 -4.464 -10.645 645 1HG GLU 83 1HG GLU 83 6.605 -5.049 -8.376 646 2HG GLU 83 2HG GLU 83 4.992 -4.451 -7.977 647 H VAL 84 H VAL 84 6.915 -3.435 -7.602 648 HA VAL 84 HA VAL 84 9.632 -2.848 -8.240 649 HB VAL 84 HB VAL 84 9.992 -1.327 -6.270 650 1HG1 VAL 84 1HG1 VAL 84 9.730 -0.709 -8.788 651 2HG1 VAL 84 2HG1 VAL 84 9.782 0.556 -7.568 652 3HG1 VAL 84 3HG1 VAL 84 8.237 0.055 -8.245 653 1HG2 VAL 84 1HG2 VAL 84 7.681 0.057 -6.017 654 2HG2 VAL 84 2HG2 VAL 84 8.219 -1.201 -4.905 655 3HG2 VAL 84 3HG2 VAL 84 7.075 -1.589 -6.187 656 H ALA 85 H ALA 85 7.364 -3.390 -5.531 657 HA ALA 85 HA ALA 85 8.702 -5.822 -4.837 658 1HB ALA 85 1HB ALA 85 9.073 -3.435 -3.039 659 2HB ALA 85 2HB ALA 85 10.327 -4.368 -3.856 660 3HB ALA 85 3HB ALA 85 9.388 -5.102 -2.555 661 H LYS 86 H LYS 86 7.691 -6.963 -3.106 662 HA LYS 86 HA LYS 86 5.143 -5.880 -2.163 663 1HB LYS 86 1HB LYS 86 4.006 -8.015 -2.676 664 2HB LYS 86 2HB LYS 86 4.544 -7.171 -4.121 665 1HG LYS 86 1HG LYS 86 6.491 -8.661 -4.250 666 2HG LYS 86 2HG LYS 86 5.903 -9.526 -2.829 667 1HD LYS 86 1HD LYS 86 3.859 -10.120 -4.036 668 2HD LYS 86 2HD LYS 86 4.448 -9.256 -5.458 669 1HE LYS 86 1HE LYS 86 5.754 -11.650 -4.168 670 2HE LYS 86 2HE LYS 86 4.816 -11.663 -5.661 671 1HZ LYS 86 1HZ LYS 86 7.194 -11.621 -6.097 672 2HZ LYS 86 2HZ LYS 86 7.352 -10.176 -5.233 673 3HZ LYS 86 3HZ LYS 86 6.457 -10.209 -6.669 674 H VAL 87 H VAL 87 5.266 -5.949 -0.031 675 HA VAL 87 HA VAL 87 6.452 -8.335 1.230 676 HB VAL 87 HB VAL 87 6.641 -5.503 2.270 677 1HG1 VAL 87 1HG1 VAL 87 8.159 -6.464 3.940 678 2HG1 VAL 87 2HG1 VAL 87 7.838 -8.075 3.297 679 3HG1 VAL 87 3HG1 VAL 87 6.540 -7.152 4.054 680 1HG2 VAL 87 1HG2 VAL 87 8.412 -7.132 0.561 681 2HG2 VAL 87 2HG2 VAL 87 9.191 -6.255 1.878 682 3HG2 VAL 87 3HG2 VAL 87 8.240 -5.380 0.677 683 H VAL 88 H VAL 88 4.463 -9.315 1.568 684 HA VAL 88 HA VAL 88 2.192 -8.065 2.637 685 HB VAL 88 HB VAL 88 2.050 -10.223 1.522 686 1HG1 VAL 88 1HG1 VAL 88 3.104 -12.140 2.182 687 2HG1 VAL 88 2HG1 VAL 88 3.154 -11.662 3.879 688 3HG1 VAL 88 3HG1 VAL 88 4.285 -10.951 2.728 689 1HG2 VAL 88 1HG2 VAL 88 0.769 -9.531 3.930 690 2HG2 VAL 88 2HG2 VAL 88 1.104 -11.262 4.014 691 3HG2 VAL 88 3HG2 VAL 88 0.191 -10.603 2.656 692 H GLY 89 H GLY 89 2.980 -6.744 4.340 693 1HA GLY 89 1HA GLY 89 2.468 -7.336 6.871 694 2HA GLY 89 2HA GLY 89 4.055 -8.073 6.706 695 H ALA 90 H ALA 90 2.424 -5.298 7.559 696 HA ALA 90 HA ALA 90 4.624 -3.498 6.875 697 1HB ALA 90 1HB ALA 90 2.252 -2.554 8.396 698 2HB ALA 90 2HB ALA 90 2.027 -3.023 6.711 699 3HB ALA 90 3HB ALA 90 3.177 -1.751 7.127 700 H ASN 91 H ASN 91 5.190 -5.522 8.764 701 HA ASN 91 HA ASN 91 5.034 -4.497 11.410 702 1HB ASN 91 1HB ASN 91 6.734 -6.676 10.185 703 2HB ASN 91 2HB ASN 91 6.602 -6.355 11.903 704 1HD2 ASN 91 1HD2 ASN 91 5.306 -7.697 12.908 705 2HD2 ASN 91 2HD2 ASN 91 3.875 -8.415 12.256 706 HA PRO 92 HA PRO 92 8.240 -1.410 11.265 707 1HB PRO 92 1HB PRO 92 8.770 -2.537 13.989 708 2HB PRO 92 2HB PRO 92 8.657 -0.848 13.475 709 1HG PRO 92 1HG PRO 92 6.613 -1.967 14.717 710 2HG PRO 92 2HG PRO 92 6.335 -0.919 13.311 711 1HD PRO 92 1HD PRO 92 6.207 -3.895 13.508 712 2HD PRO 92 2HD PRO 92 5.220 -2.783 12.538 713 H ALA 93 H ALA 93 9.475 -2.634 9.676 714 HA ALA 93 HA ALA 93 12.096 -3.143 10.397 715 1HB ALA 93 1HB ALA 93 10.363 -5.585 10.452 716 2HB ALA 93 2HB ALA 93 11.600 -5.070 11.598 717 3HB ALA 93 3HB ALA 93 12.068 -5.694 10.017 718 H ALA 94 H ALA 94 9.461 -4.016 8.217 719 HA ALA 94 HA ALA 94 11.384 -3.934 5.991 720 1HB ALA 94 1HB ALA 94 10.156 -5.524 4.813 721 2HB ALA 94 2HB ALA 94 8.710 -5.267 5.791 722 3HB ALA 94 3HB ALA 94 10.100 -6.109 6.476 723 H ILE 95 H ILE 95 8.049 -3.084 6.890 724 HA ILE 95 HA ILE 95 7.352 -1.686 4.606 725 HB ILE 95 HB ILE 95 5.716 -2.142 6.303 726 1HG1 ILE 95 1HG1 ILE 95 4.604 0.019 6.503 727 2HG1 ILE 95 2HG1 ILE 95 6.108 0.852 6.127 728 1HG2 ILE 95 1HG2 ILE 95 7.415 -0.393 8.054 729 2HG2 ILE 95 2HG2 ILE 95 6.970 -2.080 8.300 730 3HG2 ILE 95 3HG2 ILE 95 5.749 -0.815 8.449 731 1HD1 ILE 95 1HD1 ILE 95 5.271 0.908 4.056 732 2HD1 ILE 95 2HD1 ILE 95 4.160 -0.425 4.357 733 3HD1 ILE 95 3HD1 ILE 95 5.845 -0.755 3.964 734 H LYS 96 H LYS 96 9.803 -0.921 6.851 735 HA LYS 96 HA LYS 96 9.737 1.934 6.254 736 1HB LYS 96 1HB LYS 96 11.614 2.099 7.834 737 2HB LYS 96 2HB LYS 96 10.228 1.290 8.551 738 1HG LYS 96 1HG LYS 96 11.315 -0.881 8.139 739 2HG LYS 96 2HG LYS 96 12.721 -0.028 7.499 740 1HD LYS 96 1HD LYS 96 11.622 0.232 10.297 741 2HD LYS 96 2HD LYS 96 13.056 -0.686 9.833 742 1HE LYS 96 1HE LYS 96 14.114 1.376 9.042 743 2HE LYS 96 2HE LYS 96 12.680 2.290 9.510 744 1HZ LYS 96 1HZ LYS 96 14.716 1.031 11.217 745 2HZ LYS 96 2HZ LYS 96 13.149 1.241 11.817 746 3HZ LYS 96 3HZ LYS 96 14.048 2.583 11.312 747 H GLN 97 H GLN 97 11.954 -0.817 5.862 748 HA GLN 97 HA GLN 97 13.802 0.661 4.263 749 1HB GLN 97 1HB GLN 97 13.466 -2.327 4.600 750 2HB GLN 97 2HB GLN 97 14.837 -1.541 3.827 751 1HG GLN 97 1HG GLN 97 15.387 -0.436 5.940 752 2HG GLN 97 2HG GLN 97 14.026 -1.252 6.711 753 1HE2 GLN 97 1HE2 GLN 97 14.600 -2.934 7.864 754 2HE2 GLN 97 2HE2 GLN 97 15.920 -3.999 7.538 755 H ALA 98 H ALA 98 11.011 -1.348 3.655 756 HA ALA 98 HA ALA 98 11.392 -1.825 0.913 757 1HB ALA 98 1HB ALA 98 9.621 -2.750 2.617 758 2HB ALA 98 2HB ALA 98 9.250 -2.654 0.896 759 3HB ALA 98 3HB ALA 98 8.645 -1.417 1.997 760 H ILE 99 H ILE 99 10.234 0.948 2.668 761 HA ILE 99 HA ILE 99 9.327 2.299 0.257 762 HB ILE 99 HB ILE 99 9.414 3.260 3.125 763 1HG1 ILE 99 1HG1 ILE 99 7.104 2.255 1.443 764 2HG1 ILE 99 2HG1 ILE 99 7.878 1.365 2.750 765 1HG2 ILE 99 1HG2 ILE 99 8.107 4.474 0.689 766 2HG2 ILE 99 2HG2 ILE 99 9.490 5.123 1.567 767 3HG2 ILE 99 3HG2 ILE 99 7.911 5.047 2.344 768 1HD1 ILE 99 1HD1 ILE 99 6.708 4.050 3.295 769 2HD1 ILE 99 2HD1 ILE 99 6.934 2.679 4.379 770 3HD1 ILE 99 3HD1 ILE 99 5.656 2.641 3.164 771 H ALA 100 H ALA 100 12.200 1.975 2.052 772 HA ALA 100 HA ALA 100 13.267 4.567 1.276 773 1HB ALA 100 1HB ALA 100 13.709 2.967 3.449 774 2HB ALA 100 2HB ALA 100 14.740 4.304 2.939 775 3HB ALA 100 3HB ALA 100 15.132 2.653 2.458 776 H ALA 101 H ALA 101 14.635 1.287 1.064 777 HA ALA 101 HA ALA 101 16.473 1.757 -0.920 778 1HB ALA 101 1HB ALA 101 16.791 -0.316 -0.069 779 2HB ALA 101 2HB ALA 101 15.863 -0.785 -1.492 780 3HB ALA 101 3HB ALA 101 15.064 -0.643 0.074 781 H ASN 102 H ASN 102 13.022 1.337 -1.233 782 HA ASN 102 HA ASN 102 13.110 0.973 -4.086 783 1HB ASN 102 1HB ASN 102 10.857 1.391 -2.118 784 2HB ASN 102 2HB ASN 102 10.621 1.145 -3.848 785 1HD2 ASN 102 1HD2 ASN 102 10.097 -0.848 -4.346 786 2HD2 ASN 102 2HD2 ASN 102 10.620 -2.278 -3.531 787 H ALA 103 H ALA 103 12.059 3.522 -1.838 788 HA ALA 103 HA ALA 103 11.351 5.383 -3.852 789 1HB ALA 103 1HB ALA 103 10.463 5.565 -1.605 790 2HB ALA 103 2HB ALA 103 11.339 7.036 -2.030 791 3HB ALA 103 3HB ALA 103 12.082 5.845 -0.963 Start of MODEL 9 1 1H MET 1 1H MET 1 0.615 10.968 4.435 2 2H MET 1 2H MET 1 -0.194 10.893 5.948 3 3H MET 1 3H MET 1 0.047 12.406 5.175 4 HA MET 1 HA MET 1 -2.211 11.559 4.997 5 1HB MET 1 1HB MET 1 -1.257 13.154 3.399 6 2HB MET 1 2HB MET 1 -0.596 11.830 2.452 7 1HG MET 1 1HG MET 1 -2.601 12.715 1.426 8 2HG MET 1 2HG MET 1 -2.847 11.050 1.952 9 1HE MET 1 1HE MET 1 -5.753 13.373 1.674 10 2HE MET 1 2HE MET 1 -6.275 11.878 2.451 11 3HE MET 1 3HE MET 1 -5.060 11.830 1.173 12 H VAL 2 H VAL 2 -3.612 9.962 4.357 13 HA VAL 2 HA VAL 2 -2.641 7.664 2.879 14 HB VAL 2 HB VAL 2 -3.750 7.311 5.669 15 1HG1 VAL 2 1HG1 VAL 2 -3.801 5.573 3.489 16 2HG1 VAL 2 2HG1 VAL 2 -4.089 5.169 5.181 17 3HG1 VAL 2 3HG1 VAL 2 -2.472 5.004 4.501 18 1HG2 VAL 2 1HG2 VAL 2 -0.947 7.016 4.601 19 2HG2 VAL 2 2HG2 VAL 2 -1.479 6.382 6.159 20 3HG2 VAL 2 3HG2 VAL 2 -1.511 8.119 5.856 21 H THR 3 H THR 3 -4.238 6.637 1.764 22 HA THR 3 HA THR 3 -7.024 7.098 2.467 23 HB THR 3 HB THR 3 -5.883 7.885 -0.222 24 HG1 THR 3 HG1 THR 3 -6.135 9.905 0.419 25 1HG2 THR 3 1HG2 THR 3 -8.087 8.634 -0.817 26 2HG2 THR 3 2HG2 THR 3 -8.724 8.107 0.741 27 3HG2 THR 3 3HG2 THR 3 -8.135 6.917 -0.421 28 H GLN 4 H GLN 4 -8.493 5.678 1.393 29 HA GLN 4 HA GLN 4 -7.244 3.144 0.633 30 1HB GLN 4 1HB GLN 4 -10.173 3.746 1.047 31 2HB GLN 4 2HB GLN 4 -9.412 2.163 0.997 32 1HG GLN 4 1HG GLN 4 -8.249 2.622 3.068 33 2HG GLN 4 2HG GLN 4 -8.925 4.247 3.113 34 1HE2 GLN 4 1HE2 GLN 4 -11.302 2.318 1.891 35 2HE2 GLN 4 2HE2 GLN 4 -12.133 1.933 3.351 36 H PHE 5 H PHE 5 -8.705 1.888 -1.049 37 HA PHE 5 HA PHE 5 -9.363 3.703 -3.261 38 1HB PHE 5 1HB PHE 5 -7.724 1.175 -3.392 39 2HB PHE 5 2HB PHE 5 -8.481 1.898 -4.818 40 HD1 PHE 5 HD1 PHE 5 -8.043 4.804 -3.981 41 HD2 PHE 5 HD2 PHE 5 -5.468 1.408 -4.059 42 HE1 PHE 5 HE1 PHE 5 -6.105 6.286 -4.319 43 HE2 PHE 5 HE2 PHE 5 -3.533 2.892 -4.394 44 HZ PHE 5 HZ PHE 5 -3.848 5.324 -4.528 45 H LYS 6 H LYS 6 -11.175 3.288 -4.362 46 HA LYS 6 HA LYS 6 -12.697 0.880 -3.601 47 1HB LYS 6 1HB LYS 6 -13.727 3.615 -4.387 48 2HB LYS 6 2HB LYS 6 -14.736 2.217 -4.047 49 1HG LYS 6 1HG LYS 6 -12.896 3.588 -2.096 50 2HG LYS 6 2HG LYS 6 -14.655 3.726 -2.147 51 1HD LYS 6 1HD LYS 6 -14.856 1.330 -1.692 52 2HD LYS 6 2HD LYS 6 -13.098 1.188 -1.651 53 1HE LYS 6 1HE LYS 6 -14.023 1.303 0.603 54 2HE LYS 6 2HE LYS 6 -13.013 2.706 0.258 55 1HZ LYS 6 1HZ LYS 6 -15.070 3.319 1.384 56 2HZ LYS 6 2HZ LYS 6 -15.981 2.654 0.124 57 3HZ LYS 6 3HZ LYS 6 -14.998 4.001 -0.164 58 H THR 7 H THR 7 -12.096 3.205 -6.217 59 HA THR 7 HA THR 7 -12.873 1.115 -8.143 60 HB THR 7 HB THR 7 -13.339 2.954 -9.731 61 HG1 THR 7 HG1 THR 7 -12.766 4.597 -7.496 62 1HG2 THR 7 1HG2 THR 7 -14.810 2.785 -7.160 63 2HG2 THR 7 2HG2 THR 7 -15.340 2.404 -8.798 64 3HG2 THR 7 3HG2 THR 7 -15.212 4.086 -8.281 65 H ALA 8 H ALA 8 -11.411 0.467 -9.624 66 HA ALA 8 HA ALA 8 -8.702 0.910 -9.276 67 1HB ALA 8 1HB ALA 8 -10.359 -0.281 -11.421 68 2HB ALA 8 2HB ALA 8 -9.031 -0.979 -10.494 69 3HB ALA 8 3HB ALA 8 -8.692 0.129 -11.824 70 H SER 9 H SER 9 -11.014 2.829 -10.981 71 HA SER 9 HA SER 9 -9.284 4.206 -12.719 72 1HB SER 9 1HB SER 9 -11.834 5.173 -11.401 73 2HB SER 9 2HB SER 9 -11.042 5.941 -12.776 74 HG SER 9 HG SER 9 -11.789 4.433 -14.058 75 H GLU 10 H GLU 10 -9.560 4.269 -9.319 76 HA GLU 10 HA GLU 10 -8.454 6.922 -9.049 77 1HB GLU 10 1HB GLU 10 -9.184 4.870 -6.969 78 2HB GLU 10 2HB GLU 10 -8.609 6.494 -6.616 79 1HG GLU 10 1HG GLU 10 -10.567 7.437 -7.717 80 2HG GLU 10 2HG GLU 10 -11.139 5.813 -8.095 81 H PHE 11 H PHE 11 -7.593 3.693 -7.958 82 HA PHE 11 HA PHE 11 -4.979 4.302 -7.146 83 1HB PHE 11 1HB PHE 11 -6.312 2.234 -6.564 84 2HB PHE 11 2HB PHE 11 -5.932 1.622 -8.168 85 HD1 PHE 11 HD1 PHE 11 -5.139 -0.226 -6.415 86 HD2 PHE 11 HD2 PHE 11 -3.164 3.476 -7.137 87 HE1 PHE 11 HE1 PHE 11 -3.044 -1.170 -5.536 88 HE2 PHE 11 HE2 PHE 11 -1.070 2.535 -6.271 89 HZ PHE 11 HZ PHE 11 -1.010 0.213 -5.467 90 H ASP 12 H ASP 12 -6.327 3.486 -10.266 91 HA ASP 12 HA ASP 12 -4.040 2.751 -11.658 92 1HB ASP 12 1HB ASP 12 -6.300 2.579 -12.598 93 2HB ASP 12 2HB ASP 12 -6.410 4.335 -12.674 94 H SER 13 H SER 13 -4.977 5.845 -10.443 95 HA SER 13 HA SER 13 -3.258 7.362 -12.187 96 1HB SER 13 1HB SER 13 -5.285 8.388 -11.282 97 2HB SER 13 2HB SER 13 -4.686 8.159 -9.638 98 HG SER 13 HG SER 13 -3.545 9.904 -9.852 99 H ALA 14 H ALA 14 -3.176 6.337 -8.784 100 HA ALA 14 HA ALA 14 -0.842 7.580 -7.979 101 1HB ALA 14 1HB ALA 14 -2.441 5.319 -7.070 102 2HB ALA 14 2HB ALA 14 -1.657 6.598 -6.144 103 3HB ALA 14 3HB ALA 14 -0.734 5.180 -6.649 104 H ILE 15 H ILE 15 -1.213 4.414 -9.536 105 HA ILE 15 HA ILE 15 1.626 3.937 -9.634 106 HB ILE 15 HB ILE 15 1.058 1.954 -10.951 107 1HG1 ILE 15 1HG1 ILE 15 -1.787 2.954 -10.689 108 2HG1 ILE 15 2HG1 ILE 15 -0.869 2.822 -12.185 109 1HG2 ILE 15 1HG2 ILE 15 -0.009 0.746 -9.188 110 2HG2 ILE 15 2HG2 ILE 15 -0.737 2.221 -8.549 111 3HG2 ILE 15 3HG2 ILE 15 1.008 1.989 -8.459 112 1HD1 ILE 15 1HD1 ILE 15 -1.069 0.333 -10.649 113 2HD1 ILE 15 2HD1 ILE 15 -1.274 0.628 -12.376 114 3HD1 ILE 15 3HD1 ILE 15 -2.600 0.959 -11.262 115 H ALA 16 H ALA 16 -0.316 5.966 -11.435 116 HA ALA 16 HA ALA 16 1.113 5.431 -13.916 117 1HB ALA 16 1HB ALA 16 -0.513 6.573 -14.998 118 2HB ALA 16 2HB ALA 16 -0.628 7.811 -13.748 119 3HB ALA 16 3HB ALA 16 -1.418 6.251 -13.520 120 H GLN 17 H GLN 17 3.226 5.950 -13.148 121 HA GLN 17 HA GLN 17 5.017 7.295 -12.717 122 1HB GLN 17 1HB GLN 17 3.435 9.059 -14.587 123 2HB GLN 17 2HB GLN 17 5.108 9.352 -14.134 124 1HG GLN 17 1HG GLN 17 5.743 7.200 -15.112 125 2HG GLN 17 2HG GLN 17 4.062 6.930 -15.586 126 1HE2 GLN 17 1HE2 GLN 17 3.748 7.286 -17.646 127 2HE2 GLN 17 2HE2 GLN 17 4.508 8.501 -18.609 128 H ASP 18 H ASP 18 4.806 7.692 -10.526 129 HA ASP 18 HA ASP 18 4.444 10.401 -9.805 130 1HB ASP 18 1HB ASP 18 2.068 9.732 -9.994 131 2HB ASP 18 2HB ASP 18 2.342 8.483 -8.784 132 H LYS 19 H LYS 19 6.510 8.509 -9.500 133 HA LYS 19 HA LYS 19 8.106 8.046 -7.923 134 1HB LYS 19 1HB LYS 19 6.086 9.245 -6.047 135 2HB LYS 19 2HB LYS 19 7.709 8.787 -5.574 136 1HG LYS 19 1HG LYS 19 8.685 10.472 -6.868 137 2HG LYS 19 2HG LYS 19 7.194 10.759 -7.773 138 1HD LYS 19 1HD LYS 19 6.148 11.581 -5.685 139 2HD LYS 19 2HD LYS 19 7.694 11.365 -4.861 140 1HE LYS 19 1HE LYS 19 8.737 12.960 -6.391 141 2HE LYS 19 2HE LYS 19 7.196 13.172 -7.223 142 1HZ LYS 19 1HZ LYS 19 7.872 13.950 -4.443 143 2HZ LYS 19 2HZ LYS 19 6.286 13.924 -5.032 144 3HZ LYS 19 3HZ LYS 19 7.427 14.963 -5.723 145 H LEU 20 H LEU 20 7.637 7.046 -5.281 146 HA LEU 20 HA LEU 20 6.604 4.419 -6.017 147 1HB LEU 20 1HB LEU 20 8.827 4.406 -5.105 148 2HB LEU 20 2HB LEU 20 8.312 5.362 -3.714 149 HG LEU 20 HG LEU 20 6.900 3.465 -2.975 150 1HD1 LEU 20 1HD1 LEU 20 7.245 2.553 -5.562 151 2HD1 LEU 20 2HD1 LEU 20 6.505 1.676 -4.223 152 3HD1 LEU 20 3HD1 LEU 20 8.218 1.455 -4.583 153 1HD2 LEU 20 1HD2 LEU 20 8.975 3.604 -1.899 154 2HD2 LEU 20 2HD2 LEU 20 9.854 3.081 -3.335 155 3HD2 LEU 20 3HD2 LEU 20 8.869 1.927 -2.436 156 H VAL 21 H VAL 21 4.619 3.937 -5.502 157 HA VAL 21 HA VAL 21 3.319 5.288 -3.248 158 HB VAL 21 HB VAL 21 2.068 3.710 -5.505 159 1HG1 VAL 21 1HG1 VAL 21 0.764 5.455 -3.421 160 2HG1 VAL 21 2HG1 VAL 21 0.767 3.692 -3.409 161 3HG1 VAL 21 3HG1 VAL 21 -0.048 4.563 -4.708 162 1HG2 VAL 21 1HG2 VAL 21 2.776 6.564 -5.188 163 2HG2 VAL 21 2HG2 VAL 21 1.196 6.211 -5.889 164 3HG2 VAL 21 3HG2 VAL 21 2.658 5.576 -6.645 165 H VAL 22 H VAL 22 2.974 4.205 -1.429 166 HA VAL 22 HA VAL 22 3.314 1.294 -1.432 167 HB VAL 22 HB VAL 22 3.232 3.187 0.922 168 1HG1 VAL 22 1HG1 VAL 22 3.448 1.421 2.289 169 2HG1 VAL 22 2HG1 VAL 22 4.556 0.589 1.197 170 3HG1 VAL 22 3HG1 VAL 22 2.816 0.490 0.930 171 1HG2 VAL 22 1HG2 VAL 22 5.167 3.287 -0.854 172 2HG2 VAL 22 2HG2 VAL 22 5.722 1.844 -0.008 173 3HG2 VAL 22 3HG2 VAL 22 5.518 3.359 0.872 174 H VAL 23 H VAL 23 1.360 0.470 -2.008 175 HA VAL 23 HA VAL 23 -1.003 1.372 -0.519 176 HB VAL 23 HB VAL 23 -0.908 -0.318 -3.020 177 1HG1 VAL 23 1HG1 VAL 23 -2.916 -0.513 -1.494 178 2HG1 VAL 23 2HG1 VAL 23 -3.250 -0.028 -3.156 179 3HG1 VAL 23 3HG1 VAL 23 -3.252 1.176 -1.869 180 1HG2 VAL 23 1HG2 VAL 23 -0.265 1.634 -3.950 181 2HG2 VAL 23 2HG2 VAL 23 -0.837 2.595 -2.587 182 3HG2 VAL 23 3HG2 VAL 23 -1.976 2.027 -3.805 183 H ASP 24 H ASP 24 -1.988 0.097 0.894 184 HA ASP 24 HA ASP 24 -0.943 -2.611 1.282 185 1HB ASP 24 1HB ASP 24 -0.871 -1.084 3.215 186 2HB ASP 24 2HB ASP 24 -2.625 -0.873 3.111 187 H PHE 25 H PHE 25 -2.169 -4.377 0.891 188 HA PHE 25 HA PHE 25 -4.912 -3.967 -0.019 189 1HB PHE 25 1HB PHE 25 -2.868 -6.153 -0.373 190 2HB PHE 25 2HB PHE 25 -4.566 -6.411 -0.768 191 HD1 PHE 25 HD1 PHE 25 -2.101 -3.654 -1.420 192 HD2 PHE 25 HD2 PHE 25 -4.962 -6.389 -2.965 193 HE1 PHE 25 HE1 PHE 25 -1.680 -2.796 -3.693 194 HE2 PHE 25 HE2 PHE 25 -4.569 -5.531 -5.227 195 HZ PHE 25 HZ PHE 25 -2.933 -3.727 -5.601 196 H TYR 26 H TYR 26 -4.768 -3.696 2.656 197 HA TYR 26 HA TYR 26 -4.884 -5.905 4.296 198 1HB TYR 26 1HB TYR 26 -6.500 -4.493 5.687 199 2HB TYR 26 2HB TYR 26 -4.927 -3.787 5.336 200 HD1 TYR 26 HD1 TYR 26 -8.244 -3.938 3.586 201 HD2 TYR 26 HD2 TYR 26 -5.011 -1.521 4.924 202 HE1 TYR 26 HE1 TYR 26 -9.333 -1.966 2.622 203 HE2 TYR 26 HE2 TYR 26 -6.099 0.462 3.999 204 HH TYR 26 HH TYR 26 -9.325 0.485 2.965 205 H ALA 27 H ALA 27 -6.421 -7.398 4.884 206 HA ALA 27 HA ALA 27 -8.338 -8.135 2.962 207 1HB ALA 27 1HB ALA 27 -7.750 -9.007 5.754 208 2HB ALA 27 2HB ALA 27 -7.663 -9.921 4.248 209 3HB ALA 27 3HB ALA 27 -9.230 -9.553 4.967 210 H THR 28 H THR 28 -10.666 -8.241 3.217 211 HA THR 28 HA THR 28 -11.697 -5.751 4.243 212 HB THR 28 HB THR 28 -12.511 -6.472 2.097 213 HG1 THR 28 HG1 THR 28 -14.058 -5.437 3.351 214 1HG2 THR 28 1HG2 THR 28 -12.264 -8.835 2.154 215 2HG2 THR 28 2HG2 THR 28 -13.977 -8.483 1.919 216 3HG2 THR 28 3HG2 THR 28 -13.389 -8.981 3.505 217 H TRP 29 H TRP 29 -10.984 -8.516 5.767 218 HA TRP 29 HA TRP 29 -13.300 -8.322 7.576 219 1HB TRP 29 1HB TRP 29 -12.736 -10.787 8.092 220 2HB TRP 29 2HB TRP 29 -13.561 -10.423 6.568 221 HD1 TRP 29 HD1 TRP 29 -12.065 -10.572 4.312 222 HE1 TRP 29 HE1 TRP 29 -9.931 -11.909 3.787 223 HE3 TRP 29 HE3 TRP 29 -10.601 -11.661 9.083 224 HZ2 TRP 29 HZ2 TRP 29 -7.889 -13.235 5.206 225 HZ3 TRP 29 HZ3 TRP 29 -8.539 -12.957 9.418 226 HH2 TRP 29 HH2 TRP 29 -7.212 -13.733 7.518 227 H CYS 30 H CYS 30 -9.857 -9.225 7.374 228 HA CYS 30 HA CYS 30 -9.223 -9.646 9.979 229 1HB CYS 30 1HB CYS 30 -7.628 -9.686 8.030 230 2HB CYS 30 2HB CYS 30 -7.513 -7.931 8.170 231 HG CYS 30 HG CYS 30 -6.290 -8.197 10.402 232 H GLY 31 H GLY 31 -9.251 -8.548 11.826 233 1HA GLY 31 1HA GLY 31 -10.247 -5.859 11.885 234 2HA GLY 31 2HA GLY 31 -9.799 -6.835 13.273 235 HA PRO 32 HA PRO 32 -5.903 -4.974 14.148 236 1HB PRO 32 1HB PRO 32 -4.094 -6.717 12.771 237 2HB PRO 32 2HB PRO 32 -4.449 -6.657 14.496 238 1HG PRO 32 1HG PRO 32 -5.525 -8.454 12.414 239 2HG PRO 32 2HG PRO 32 -5.369 -8.718 14.159 240 1HD PRO 32 1HD PRO 32 -7.754 -8.297 13.005 241 2HD PRO 32 2HD PRO 32 -7.382 -7.664 14.623 242 H CYS 33 H CYS 33 -6.402 -5.947 10.802 243 HA CYS 33 HA CYS 33 -4.392 -4.394 9.617 244 1HB CYS 33 1HB CYS 33 -7.044 -5.382 8.576 245 2HB CYS 33 2HB CYS 33 -5.907 -4.475 7.570 246 HG CYS 33 HG CYS 33 -4.208 -6.454 7.873 247 H LYS 34 H LYS 34 -7.236 -3.380 11.212 248 HA LYS 34 HA LYS 34 -7.604 -0.981 9.681 249 1HB LYS 34 1HB LYS 34 -9.279 -0.379 11.336 250 2HB LYS 34 2HB LYS 34 -9.491 -2.052 10.847 251 1HG LYS 34 1HG LYS 34 -9.774 -2.196 13.117 252 2HG LYS 34 2HG LYS 34 -8.058 -2.567 12.960 253 1HD LYS 34 1HD LYS 34 -7.477 -0.290 13.556 254 2HD LYS 34 2HD LYS 34 -9.180 0.160 13.604 255 1HE LYS 34 1HE LYS 34 -9.537 -1.408 15.447 256 2HE LYS 34 2HE LYS 34 -7.834 -1.863 15.392 257 1HZ LYS 34 1HZ LYS 34 -9.033 0.692 16.257 258 2HZ LYS 34 2HZ LYS 34 -7.416 0.619 15.765 259 3HZ LYS 34 3HZ LYS 34 -7.941 -0.302 17.083 260 H MET 35 H MET 35 -5.701 -1.920 12.410 261 HA MET 35 HA MET 35 -5.211 0.746 13.358 262 1HB MET 35 1HB MET 35 -3.680 -1.818 13.849 263 2HB MET 35 2HB MET 35 -3.448 -0.310 14.724 264 1HG MET 35 1HG MET 35 -5.730 -0.446 15.573 265 2HG MET 35 2HG MET 35 -5.968 -1.954 14.693 266 1HE MET 35 1HE MET 35 -2.776 -3.609 15.835 267 2HE MET 35 2HE MET 35 -4.148 -3.658 14.728 268 3HE MET 35 3HE MET 35 -4.196 -4.576 16.234 269 H ILE 36 H ILE 36 -4.432 -0.673 10.551 270 HA ILE 36 HA ILE 36 -1.672 0.028 10.272 271 HB ILE 36 HB ILE 36 -3.697 -0.626 8.139 272 1HG1 ILE 36 1HG1 ILE 36 -3.603 -2.341 9.915 273 2HG1 ILE 36 2HG1 ILE 36 -2.999 -2.938 8.377 274 1HG2 ILE 36 1HG2 ILE 36 -0.911 0.042 8.094 275 2HG2 ILE 36 2HG2 ILE 36 -2.021 -0.244 6.755 276 3HG2 ILE 36 3HG2 ILE 36 -1.159 -1.595 7.486 277 1HD1 ILE 36 1HD1 ILE 36 -1.754 -3.056 10.859 278 2HD1 ILE 36 2HD1 ILE 36 -0.861 -1.840 9.944 279 3HD1 ILE 36 3HD1 ILE 36 -1.056 -3.468 9.294 280 H ALA 37 H ALA 37 -4.759 1.369 9.130 281 HA ALA 37 HA ALA 37 -4.002 3.328 7.420 282 1HB ALA 37 1HB ALA 37 -6.015 4.395 7.841 283 2HB ALA 37 2HB ALA 37 -5.976 4.015 9.563 284 3HB ALA 37 3HB ALA 37 -6.333 2.749 8.388 285 HA PRO 38 HA PRO 38 -2.821 6.355 10.948 286 1HB PRO 38 1HB PRO 38 -2.319 5.327 13.412 287 2HB PRO 38 2HB PRO 38 -3.915 5.907 12.916 288 1HG PRO 38 1HG PRO 38 -2.895 3.124 13.151 289 2HG PRO 38 2HG PRO 38 -4.519 3.759 13.460 290 1HD PRO 38 1HD PRO 38 -3.750 2.399 11.186 291 2HD PRO 38 2HD PRO 38 -5.154 3.461 11.289 292 H MET 39 H MET 39 -1.498 3.107 10.914 293 HA MET 39 HA MET 39 1.174 3.907 11.612 294 1HB MET 39 1HB MET 39 0.238 1.582 11.915 295 2HB MET 39 2HB MET 39 0.285 1.398 10.167 296 1HG MET 39 1HG MET 39 2.203 0.339 11.139 297 2HG MET 39 2HG MET 39 2.719 1.753 10.221 298 1HE MET 39 1HE MET 39 4.768 0.915 11.395 299 2HE MET 39 2HE MET 39 4.673 0.408 13.081 300 3HE MET 39 3HE MET 39 5.412 1.954 12.665 301 H ILE 40 H ILE 40 -0.496 2.989 8.620 302 HA ILE 40 HA ILE 40 1.531 3.318 6.769 303 HB ILE 40 HB ILE 40 -1.404 4.028 6.467 304 1HG1 ILE 40 1HG1 ILE 40 0.093 1.483 5.805 305 2HG1 ILE 40 2HG1 ILE 40 -1.055 1.701 7.121 306 1HG2 ILE 40 1HG2 ILE 40 0.785 3.695 4.432 307 2HG2 ILE 40 2HG2 ILE 40 -0.296 5.069 4.666 308 3HG2 ILE 40 3HG2 ILE 40 -0.924 3.552 4.019 309 1HD1 ILE 40 1HD1 ILE 40 -1.626 0.762 4.599 310 2HD1 ILE 40 2HD1 ILE 40 -2.179 2.434 4.552 311 3HD1 ILE 40 3HD1 ILE 40 -2.800 1.336 5.784 312 H GLU 41 H GLU 41 -0.396 5.714 8.431 313 HA GLU 41 HA GLU 41 0.368 7.937 6.823 314 1HB GLU 41 1HB GLU 41 -1.682 7.963 8.134 315 2HB GLU 41 2HB GLU 41 -0.763 7.793 9.624 316 1HG GLU 41 1HG GLU 41 0.262 9.981 9.234 317 2HG GLU 41 2HG GLU 41 -0.666 10.147 7.745 318 H LYS 42 H LYS 42 1.549 6.533 9.833 319 HA LYS 42 HA LYS 42 3.317 8.541 10.600 320 1HB LYS 42 1HB LYS 42 3.406 5.554 11.024 321 2HB LYS 42 2HB LYS 42 4.542 6.670 11.776 322 1HG LYS 42 1HG LYS 42 2.756 7.768 12.954 323 2HG LYS 42 2HG LYS 42 1.555 6.791 12.111 324 1HD LYS 42 1HD LYS 42 1.879 5.904 14.325 325 2HD LYS 42 2HD LYS 42 2.536 4.767 13.150 326 1HE LYS 42 1HE LYS 42 4.214 6.802 14.602 327 2HE LYS 42 2HE LYS 42 3.942 5.170 15.207 328 1HZ LYS 42 1HZ LYS 42 4.742 4.813 12.617 329 2HZ LYS 42 2HZ LYS 42 5.695 4.596 13.997 330 3HZ LYS 42 3HZ LYS 42 5.729 6.073 13.173 331 H PHE 43 H PHE 43 3.575 6.235 8.028 332 HA PHE 43 HA PHE 43 6.442 6.634 7.758 333 1HB PHE 43 1HB PHE 43 4.479 4.959 6.185 334 2HB PHE 43 2HB PHE 43 6.200 5.066 5.813 335 HD1 PHE 43 HD1 PHE 43 4.034 4.462 8.780 336 HD2 PHE 43 HD2 PHE 43 7.515 3.363 6.598 337 HE1 PHE 43 HE1 PHE 43 4.478 2.669 10.403 338 HE2 PHE 43 HE2 PHE 43 7.967 1.564 8.215 339 HZ PHE 43 HZ PHE 43 6.446 1.214 10.122 340 H SER 44 H SER 44 3.572 8.041 6.567 341 HA SER 44 HA SER 44 4.576 8.888 4.033 342 1HB SER 44 1HB SER 44 2.172 8.720 4.426 343 2HB SER 44 2HB SER 44 2.275 9.960 5.687 344 HG SER 44 HG SER 44 2.542 11.482 4.195 345 H GLU 45 H GLU 45 5.376 9.827 7.141 346 HA GLU 45 HA GLU 45 5.856 12.621 6.482 347 1HB GLU 45 1HB GLU 45 5.018 12.070 8.714 348 2HB GLU 45 2HB GLU 45 6.424 11.055 9.005 349 1HG GLU 45 1HG GLU 45 7.873 13.015 8.852 350 2HG GLU 45 2HG GLU 45 6.462 14.032 8.561 351 H GLN 46 H GLN 46 7.572 9.611 6.686 352 HA GLN 46 HA GLN 46 10.174 10.906 6.622 353 1HB GLN 46 1HB GLN 46 9.402 7.986 6.581 354 2HB GLN 46 2HB GLN 46 11.053 8.588 6.644 355 1HG GLN 46 1HG GLN 46 10.586 9.658 8.782 356 2HG GLN 46 2HG GLN 46 8.928 9.065 8.717 357 1HE2 GLN 46 1HE2 GLN 46 8.593 7.368 9.938 358 2HE2 GLN 46 2HE2 GLN 46 9.746 6.110 10.295 359 H TYR 47 H TYR 47 7.953 9.303 4.450 360 HA TYR 47 HA TYR 47 9.852 9.806 2.252 361 1HB TYR 47 1HB TYR 47 7.885 7.519 2.449 362 2HB TYR 47 2HB TYR 47 9.004 7.816 1.121 363 HD1 TYR 47 HD1 TYR 47 11.468 7.583 1.518 364 HD2 TYR 47 HD2 TYR 47 8.584 6.436 4.420 365 HE1 TYR 47 HE1 TYR 47 13.179 6.249 2.675 366 HE2 TYR 47 HE2 TYR 47 10.284 5.079 5.582 367 HH TYR 47 HH TYR 47 12.410 3.989 5.109 368 HA PRO 48 HA PRO 48 5.630 12.072 2.030 369 1HB PRO 48 1HB PRO 48 7.119 14.342 1.162 370 2HB PRO 48 2HB PRO 48 6.229 14.145 2.669 371 1HG PRO 48 1HG PRO 48 9.113 13.886 2.146 372 2HG PRO 48 2HG PRO 48 8.271 14.227 3.664 373 1HD PRO 48 1HD PRO 48 9.474 11.849 3.128 374 2HD PRO 48 2HD PRO 48 8.051 11.988 4.184 375 H GLN 49 H GLN 49 8.429 11.663 -0.003 376 HA GLN 49 HA GLN 49 7.233 12.576 -2.420 377 1HB GLN 49 1HB GLN 49 9.545 10.669 -2.003 378 2HB GLN 49 2HB GLN 49 9.097 11.385 -3.548 379 1HG GLN 49 1HG GLN 49 9.557 13.609 -2.646 380 2HG GLN 49 2HG GLN 49 10.004 12.891 -1.100 381 1HE2 GLN 49 1HE2 GLN 49 12.099 12.765 -0.811 382 2HE2 GLN 49 2HE2 GLN 49 13.291 12.509 -2.034 383 H ALA 50 H ALA 50 7.218 9.573 -0.672 384 HA ALA 50 HA ALA 50 6.032 8.109 -2.884 385 1HB ALA 50 1HB ALA 50 5.892 6.374 -0.850 386 2HB ALA 50 2HB ALA 50 7.177 7.421 -0.245 387 3HB ALA 50 3HB ALA 50 7.354 6.617 -1.806 388 H ASP 51 H ASP 51 3.919 7.503 -3.025 389 HA ASP 51 HA ASP 51 2.063 8.889 -1.265 390 1HB ASP 51 1HB ASP 51 1.558 7.253 -3.762 391 2HB ASP 51 2HB ASP 51 0.340 8.170 -2.880 392 H PHE 52 H PHE 52 1.170 7.945 0.426 393 HA PHE 52 HA PHE 52 1.319 5.034 0.644 394 1HB PHE 52 1HB PHE 52 0.852 7.173 2.725 395 2HB PHE 52 2HB PHE 52 0.817 5.436 3.060 396 HD1 PHE 52 HD1 PHE 52 3.044 7.897 1.350 397 HD2 PHE 52 HD2 PHE 52 2.724 4.531 3.930 398 HE1 PHE 52 HE1 PHE 52 5.486 7.906 1.658 399 HE2 PHE 52 HE2 PHE 52 5.162 4.531 4.242 400 HZ PHE 52 HZ PHE 52 6.548 6.221 3.108 401 H TYR 53 H TYR 53 -0.444 4.645 -0.777 402 HA TYR 53 HA TYR 53 -3.089 5.458 0.156 403 1HB TYR 53 1HB TYR 53 -2.076 4.180 -2.374 404 2HB TYR 53 2HB TYR 53 -3.792 4.201 -1.985 405 HD1 TYR 53 HD1 TYR 53 -4.761 6.571 -1.375 406 HD2 TYR 53 HD2 TYR 53 -1.196 5.932 -3.606 407 HE1 TYR 53 HE1 TYR 53 -4.967 8.822 -2.338 408 HE2 TYR 53 HE2 TYR 53 -1.388 8.186 -4.571 409 HH TYR 53 HH TYR 53 -2.868 10.537 -3.475 410 H LYS 54 H LYS 54 -4.718 3.449 -0.457 411 HA LYS 54 HA LYS 54 -3.681 0.972 0.650 412 1HB LYS 54 1HB LYS 54 -5.978 2.445 1.949 413 2HB LYS 54 2HB LYS 54 -5.382 0.853 2.399 414 1HG LYS 54 1HG LYS 54 -3.274 1.785 3.099 415 2HG LYS 54 2HG LYS 54 -3.758 3.383 2.537 416 1HD LYS 54 1HD LYS 54 -5.085 1.821 4.752 417 2HD LYS 54 2HD LYS 54 -3.977 3.175 4.966 418 1HE LYS 54 1HE LYS 54 -5.538 4.636 3.770 419 2HE LYS 54 2HE LYS 54 -6.643 3.281 3.565 420 1HZ LYS 54 1HZ LYS 54 -6.329 3.228 6.191 421 2HZ LYS 54 2HZ LYS 54 -7.531 4.141 5.432 422 3HZ LYS 54 3HZ LYS 54 -6.093 4.882 5.927 423 H LEU 55 H LEU 55 -4.730 -0.805 -0.079 424 HA LEU 55 HA LEU 55 -6.834 -0.341 -2.055 425 1HB LEU 55 1HB LEU 55 -4.681 -1.595 -2.576 426 2HB LEU 55 2HB LEU 55 -5.303 -2.886 -1.568 427 HG LEU 55 HG LEU 55 -5.647 -3.284 -3.985 428 1HD1 LEU 55 1HD1 LEU 55 -8.413 -2.985 -3.080 429 2HD1 LEU 55 2HD1 LEU 55 -7.355 -3.809 -1.937 430 3HD1 LEU 55 3HD1 LEU 55 -7.529 -4.425 -3.579 431 1HD2 LEU 55 1HD2 LEU 55 -6.207 -0.671 -4.195 432 2HD2 LEU 55 2HD2 LEU 55 -7.845 -1.319 -4.107 433 3HD2 LEU 55 3HD2 LEU 55 -6.744 -1.875 -5.366 434 H ASP 56 H ASP 56 -8.809 -1.321 -2.008 435 HA ASP 56 HA ASP 56 -9.645 -2.370 0.582 436 1HB ASP 56 1HB ASP 56 -10.945 -0.550 -0.562 437 2HB ASP 56 2HB ASP 56 -11.343 -1.702 -1.835 438 H VAL 57 H VAL 57 -9.936 -4.481 0.947 439 HA VAL 57 HA VAL 57 -9.823 -6.328 -1.314 440 HB VAL 57 HB VAL 57 -9.637 -6.835 1.667 441 1HG1 VAL 57 1HG1 VAL 57 -9.942 -8.682 -0.627 442 2HG1 VAL 57 2HG1 VAL 57 -10.367 -8.902 1.071 443 3HG1 VAL 57 3HG1 VAL 57 -8.694 -9.102 0.550 444 1HG2 VAL 57 1HG2 VAL 57 -7.720 -5.682 0.514 445 2HG2 VAL 57 2HG2 VAL 57 -7.521 -7.137 -0.464 446 3HG2 VAL 57 3HG2 VAL 57 -7.314 -7.215 1.287 447 H ASP 58 H ASP 58 -12.152 -4.886 -1.203 448 HA ASP 58 HA ASP 58 -14.104 -7.003 -0.939 449 1HB ASP 58 1HB ASP 58 -14.176 -5.971 1.283 450 2HB ASP 58 2HB ASP 58 -14.430 -4.392 0.559 451 H GLU 59 H GLU 59 -13.589 -3.551 -1.511 452 HA GLU 59 HA GLU 59 -15.767 -3.313 -3.346 453 1HB GLU 59 1HB GLU 59 -15.036 -1.416 -1.992 454 2HB GLU 59 2HB GLU 59 -13.452 -1.451 -2.762 455 1HG GLU 59 1HG GLU 59 -14.767 0.316 -3.710 456 2HG GLU 59 2HG GLU 59 -14.533 -0.946 -4.918 457 H LEU 60 H LEU 60 -12.388 -4.078 -3.596 458 HA LEU 60 HA LEU 60 -12.515 -3.875 -6.512 459 1HB LEU 60 1HB LEU 60 -10.173 -4.142 -4.669 460 2HB LEU 60 2HB LEU 60 -10.037 -4.206 -6.402 461 HG LEU 60 HG LEU 60 -9.406 -2.024 -5.538 462 1HD1 LEU 60 1HD1 LEU 60 -10.919 -2.571 -7.651 463 2HD1 LEU 60 2HD1 LEU 60 -10.362 -0.944 -7.259 464 3HD1 LEU 60 3HD1 LEU 60 -11.990 -1.455 -6.813 465 1HD2 LEU 60 1HD2 LEU 60 -11.305 -2.358 -3.655 466 2HD2 LEU 60 2HD2 LEU 60 -12.167 -1.311 -4.783 467 3HD2 LEU 60 3HD2 LEU 60 -10.629 -0.790 -4.095 468 H GLY 61 H GLY 61 -11.014 -6.002 -4.174 469 1HA GLY 61 1HA GLY 61 -10.940 -8.302 -4.016 470 2HA GLY 61 2HA GLY 61 -12.304 -8.353 -5.122 471 H ASP 62 H ASP 62 -11.568 -7.591 -7.456 472 HA ASP 62 HA ASP 62 -10.055 -9.586 -8.565 473 1HB ASP 62 1HB ASP 62 -10.460 -6.822 -9.625 474 2HB ASP 62 2HB ASP 62 -9.916 -8.190 -10.577 475 H VAL 63 H VAL 63 -8.958 -6.455 -7.385 476 HA VAL 63 HA VAL 63 -6.322 -6.680 -8.440 477 HB VAL 63 HB VAL 63 -7.081 -5.022 -6.036 478 1HG1 VAL 63 1HG1 VAL 63 -4.669 -5.385 -7.211 479 2HG1 VAL 63 2HG1 VAL 63 -5.144 -3.924 -6.345 480 3HG1 VAL 63 3HG1 VAL 63 -5.269 -3.987 -8.102 481 1HG2 VAL 63 1HG2 VAL 63 -8.340 -3.631 -7.245 482 2HG2 VAL 63 2HG2 VAL 63 -8.389 -4.891 -8.477 483 3HG2 VAL 63 3HG2 VAL 63 -7.178 -3.611 -8.571 484 H ALA 64 H ALA 64 -7.522 -6.982 -5.069 485 HA ALA 64 HA ALA 64 -5.173 -7.915 -3.890 486 1HB ALA 64 1HB ALA 64 -6.704 -9.033 -2.240 487 2HB ALA 64 2HB ALA 64 -8.056 -8.528 -3.252 488 3HB ALA 64 3HB ALA 64 -7.016 -7.318 -2.503 489 H GLN 65 H GLN 65 -7.388 -9.497 -6.034 490 HA GLN 65 HA GLN 65 -6.329 -12.144 -5.474 491 1HB GLN 65 1HB GLN 65 -8.728 -11.904 -5.892 492 2HB GLN 65 2HB GLN 65 -8.396 -11.221 -7.477 493 1HG GLN 65 1HG GLN 65 -7.382 -13.332 -8.174 494 2HG GLN 65 2HG GLN 65 -7.725 -14.017 -6.585 495 1HE2 GLN 65 1HE2 GLN 65 -9.428 -15.277 -6.563 496 2HE2 GLN 65 2HE2 GLN 65 -10.844 -15.105 -7.537 497 H LYS 66 H LYS 66 -6.209 -9.686 -8.027 498 HA LYS 66 HA LYS 66 -4.924 -11.252 -9.972 499 1HB LYS 66 1HB LYS 66 -4.550 -9.289 -11.167 500 2HB LYS 66 2HB LYS 66 -5.951 -8.879 -10.191 501 1HG LYS 66 1HG LYS 66 -4.551 -7.658 -8.641 502 2HG LYS 66 2HG LYS 66 -3.109 -8.128 -9.539 503 1HD LYS 66 1HD LYS 66 -3.997 -6.948 -11.516 504 2HD LYS 66 2HD LYS 66 -5.385 -6.430 -10.559 505 1HE LYS 66 1HE LYS 66 -3.777 -4.640 -10.652 506 2HE LYS 66 2HE LYS 66 -3.836 -5.280 -9.012 507 1HZ LYS 66 1HZ LYS 66 -1.863 -6.700 -9.755 508 2HZ LYS 66 2HZ LYS 66 -1.585 -5.061 -9.450 509 3HZ LYS 66 3HZ LYS 66 -1.722 -5.612 -11.042 510 H ASN 67 H ASN 67 -3.583 -9.111 -7.473 511 HA ASN 67 HA ASN 67 -0.876 -9.798 -8.074 512 1HB ASN 67 1HB ASN 67 -2.150 -8.358 -5.736 513 2HB ASN 67 2HB ASN 67 -0.415 -8.505 -6.001 514 1HD2 ASN 67 1HD2 ASN 67 -2.933 -6.491 -6.321 515 2HD2 ASN 67 2HD2 ASN 67 -2.371 -5.504 -7.644 516 H GLU 68 H GLU 68 -3.364 -11.401 -6.528 517 HA GLU 68 HA GLU 68 -3.484 -13.303 -5.307 518 1HB GLU 68 1HB GLU 68 -0.494 -13.425 -5.743 519 2HB GLU 68 2HB GLU 68 -1.494 -14.739 -5.140 520 1HG GLU 68 1HG GLU 68 -2.715 -14.788 -7.250 521 2HG GLU 68 2HG GLU 68 -1.723 -13.463 -7.856 522 H VAL 69 H VAL 69 -3.439 -10.915 -3.902 523 HA VAL 69 HA VAL 69 -1.749 -11.526 -1.570 524 HB VAL 69 HB VAL 69 -3.157 -8.935 -2.225 525 1HG1 VAL 69 1HG1 VAL 69 -1.169 -9.641 -0.062 526 2HG1 VAL 69 2HG1 VAL 69 -2.875 -9.249 0.162 527 3HG1 VAL 69 3HG1 VAL 69 -1.758 -8.015 -0.418 528 1HG2 VAL 69 1HG2 VAL 69 -0.213 -9.072 -2.205 529 2HG2 VAL 69 2HG2 VAL 69 -1.303 -8.176 -3.263 530 3HG2 VAL 69 3HG2 VAL 69 -1.011 -9.891 -3.548 531 H SER 70 H SER 70 -3.350 -13.232 -1.061 532 HA SER 70 HA SER 70 -5.958 -12.358 -0.170 533 1HB SER 70 1HB SER 70 -6.325 -14.710 0.419 534 2HB SER 70 2HB SER 70 -5.690 -14.568 -1.229 535 HG SER 70 HG SER 70 -4.142 -15.150 1.083 536 H ALA 71 H ALA 71 -2.859 -12.433 1.151 537 HA ALA 71 HA ALA 71 -3.289 -13.182 3.804 538 1HB ALA 71 1HB ALA 71 -1.129 -12.402 2.408 539 2HB ALA 71 2HB ALA 71 -1.173 -12.475 4.169 540 3HB ALA 71 3HB ALA 71 -1.429 -10.938 3.342 541 H MET 72 H MET 72 -2.532 -10.958 5.359 542 HA MET 72 HA MET 72 -4.106 -8.692 4.966 543 1HB MET 72 1HB MET 72 -5.950 -9.052 6.506 544 2HB MET 72 2HB MET 72 -6.000 -10.189 5.173 545 1HG MET 72 1HG MET 72 -4.916 -10.838 7.893 546 2HG MET 72 2HG MET 72 -6.572 -11.140 7.394 547 1HE MET 72 1HE MET 72 -3.149 -13.520 7.503 548 2HE MET 72 2HE MET 72 -3.037 -11.774 7.278 549 3HE MET 72 3HE MET 72 -2.723 -12.860 5.924 550 HA PRO 73 HA PRO 73 -3.510 -7.009 5.095 551 1HB PRO 73 1HB PRO 73 -1.935 -4.940 5.533 552 2HB PRO 73 2HB PRO 73 -3.353 -5.208 6.568 553 1HG PRO 73 1HG PRO 73 -0.476 -5.822 7.097 554 2HG PRO 73 2HG PRO 73 -1.687 -5.123 8.183 555 1HD PRO 73 1HD PRO 73 -0.945 -7.806 8.118 556 2HD PRO 73 2HD PRO 73 -2.447 -7.171 8.823 557 H THR 74 H THR 74 -1.673 -5.584 3.725 558 HA THR 74 HA THR 74 0.748 -7.120 3.341 559 HB THR 74 HB THR 74 -1.343 -6.918 1.167 560 HG1 THR 74 HG1 THR 74 -0.265 -9.363 1.725 561 1HG2 THR 74 1HG2 THR 74 0.297 -8.334 -0.140 562 2HG2 THR 74 2HG2 THR 74 1.515 -7.823 1.022 563 3HG2 THR 74 3HG2 THR 74 0.690 -6.625 0.027 564 H LEU 75 H LEU 75 2.177 -6.109 1.684 565 HA LEU 75 HA LEU 75 1.598 -3.244 1.338 566 1HB LEU 75 1HB LEU 75 4.252 -4.468 2.094 567 2HB LEU 75 2HB LEU 75 3.976 -2.772 1.752 568 HG LEU 75 HG LEU 75 2.840 -4.331 4.074 569 1HD1 LEU 75 1HD1 LEU 75 4.229 -2.266 5.113 570 2HD1 LEU 75 2HD1 LEU 75 5.192 -2.622 3.679 571 3HD1 LEU 75 3HD1 LEU 75 4.887 -3.883 4.871 572 1HD2 LEU 75 1HD2 LEU 75 1.164 -2.814 3.750 573 2HD2 LEU 75 2HD2 LEU 75 2.221 -1.647 2.958 574 3HD2 LEU 75 3HD2 LEU 75 2.269 -1.833 4.712 575 H LEU 76 H LEU 76 1.605 -2.678 -0.729 576 HA LEU 76 HA LEU 76 3.314 -4.190 -2.593 577 1HB LEU 76 1HB LEU 76 0.587 -2.982 -3.050 578 2HB LEU 76 2HB LEU 76 1.618 -3.563 -4.354 579 HG LEU 76 HG LEU 76 0.275 -5.162 -2.186 580 1HD1 LEU 76 1HD1 LEU 76 -1.157 -5.760 -3.770 581 2HD1 LEU 76 2HD1 LEU 76 0.142 -6.153 -4.896 582 3HD1 LEU 76 3HD1 LEU 76 -0.455 -4.498 -4.780 583 1HD2 LEU 76 1HD2 LEU 76 2.721 -5.784 -3.732 584 2HD2 LEU 76 2HD2 LEU 76 1.515 -7.063 -3.596 585 3HD2 LEU 76 3HD2 LEU 76 2.209 -6.347 -2.142 586 H LEU 77 H LEU 77 4.851 -3.059 -3.559 587 HA LEU 77 HA LEU 77 4.635 -0.125 -3.561 588 1HB LEU 77 1HB LEU 77 7.079 -1.893 -3.617 589 2HB LEU 77 2HB LEU 77 7.117 -0.146 -3.744 590 HG LEU 77 HG LEU 77 6.101 0.006 -1.481 591 1HD1 LEU 77 1HD1 LEU 77 6.459 -2.249 -0.172 592 2HD1 LEU 77 2HD1 LEU 77 6.162 -2.953 -1.761 593 3HD1 LEU 77 3HD1 LEU 77 4.950 -1.910 -1.017 594 1HD2 LEU 77 1HD2 LEU 77 8.110 -0.330 -0.330 595 2HD2 LEU 77 2HD2 LEU 77 8.604 -0.027 -1.996 596 3HD2 LEU 77 3HD2 LEU 77 8.584 -1.675 -1.368 597 H PHE 78 H PHE 78 4.775 0.997 -5.412 598 HA PHE 78 HA PHE 78 5.518 -0.406 -7.890 599 1HB PHE 78 1HB PHE 78 3.129 1.434 -7.644 600 2HB PHE 78 2HB PHE 78 3.604 0.493 -9.051 601 HD1 PHE 78 HD1 PHE 78 3.691 -2.110 -8.670 602 HD2 PHE 78 HD2 PHE 78 1.503 0.623 -6.251 603 HE1 PHE 78 HE1 PHE 78 2.237 -3.947 -7.911 604 HE2 PHE 78 HE2 PHE 78 0.052 -1.211 -5.488 605 HZ PHE 78 HZ PHE 78 0.409 -3.490 -6.319 606 H LYS 79 H LYS 79 6.922 0.784 -9.128 607 HA LYS 79 HA LYS 79 7.117 3.672 -8.507 608 1HB LYS 79 1HB LYS 79 9.239 1.672 -9.248 609 2HB LYS 79 2HB LYS 79 9.489 3.398 -9.472 610 1HG LYS 79 1HG LYS 79 9.282 3.814 -7.140 611 2HG LYS 79 2HG LYS 79 8.741 2.166 -6.833 612 1HD LYS 79 1HD LYS 79 11.051 2.386 -6.174 613 2HD LYS 79 2HD LYS 79 10.949 1.342 -7.592 614 1HE LYS 79 1HE LYS 79 11.572 4.286 -7.734 615 2HE LYS 79 2HE LYS 79 12.810 3.037 -7.616 616 1HZ LYS 79 1HZ LYS 79 11.231 2.209 -9.677 617 2HZ LYS 79 2HZ LYS 79 12.726 2.986 -9.822 618 3HZ LYS 79 3HZ LYS 79 11.295 3.887 -9.889 619 H ASN 80 H ASN 80 6.580 5.051 -10.096 620 HA ASN 80 HA ASN 80 5.799 5.731 -12.138 621 1HB ASN 80 1HB ASN 80 8.383 4.377 -12.921 622 2HB ASN 80 2HB ASN 80 7.470 5.450 -13.975 623 1HD2 ASN 80 1HD2 ASN 80 8.166 7.445 -14.019 624 2HD2 ASN 80 2HD2 ASN 80 8.982 8.275 -12.742 625 H GLY 81 H GLY 81 3.940 4.371 -12.155 626 1HA GLY 81 1HA GLY 81 2.626 2.581 -12.808 627 2HA GLY 81 2HA GLY 81 3.179 3.149 -14.383 628 H LYS 82 H LYS 82 4.850 1.372 -11.797 629 HA LYS 82 HA LYS 82 4.975 -1.008 -13.460 630 1HB LYS 82 1HB LYS 82 7.426 0.501 -12.542 631 2HB LYS 82 2HB LYS 82 7.468 -1.146 -13.143 632 1HG LYS 82 1HG LYS 82 6.491 1.222 -14.715 633 2HG LYS 82 2HG LYS 82 8.100 0.511 -14.842 634 1HD LYS 82 1HD LYS 82 7.102 -1.610 -15.543 635 2HD LYS 82 2HD LYS 82 5.492 -0.900 -15.406 636 1HE LYS 82 1HE LYS 82 6.249 -0.927 -17.726 637 2HE LYS 82 2HE LYS 82 6.052 0.724 -17.138 638 1HZ LYS 82 1HZ LYS 82 8.347 1.024 -17.002 639 2HZ LYS 82 2HZ LYS 82 8.137 0.193 -18.460 640 3HZ LYS 82 3HZ LYS 82 8.678 -0.633 -17.087 641 H GLU 83 H GLU 83 6.988 -2.261 -11.853 642 HA GLU 83 HA GLU 83 5.467 -2.564 -9.359 643 1HB GLU 83 1HB GLU 83 5.568 -4.545 -10.845 644 2HB GLU 83 2HB GLU 83 7.321 -4.512 -10.755 645 1HG GLU 83 1HG GLU 83 7.280 -5.078 -8.436 646 2HG GLU 83 2HG GLU 83 5.525 -4.898 -8.371 647 H VAL 84 H VAL 84 6.981 -3.469 -7.534 648 HA VAL 84 HA VAL 84 9.613 -2.245 -7.591 649 HB VAL 84 HB VAL 84 7.635 -1.622 -5.483 650 1HG1 VAL 84 1HG1 VAL 84 9.941 -1.842 -4.650 651 2HG1 VAL 84 2HG1 VAL 84 9.322 -0.197 -4.508 652 3HG1 VAL 84 3HG1 VAL 84 10.441 -0.608 -5.807 653 1HG2 VAL 84 1HG2 VAL 84 7.504 0.569 -6.317 654 2HG2 VAL 84 2HG2 VAL 84 7.360 -0.478 -7.722 655 3HG2 VAL 84 3HG2 VAL 84 8.890 0.321 -7.375 656 H ALA 85 H ALA 85 7.468 -3.571 -5.093 657 HA ALA 85 HA ALA 85 8.859 -6.036 -4.894 658 1HB ALA 85 1HB ALA 85 9.426 -4.131 -2.632 659 2HB ALA 85 2HB ALA 85 10.557 -4.456 -3.946 660 3HB ALA 85 3HB ALA 85 10.066 -5.758 -2.864 661 H LYS 86 H LYS 86 8.020 -7.418 -3.238 662 HA LYS 86 HA LYS 86 5.420 -6.503 -2.202 663 1HB LYS 86 1HB LYS 86 6.340 -9.211 -3.138 664 2HB LYS 86 2HB LYS 86 4.907 -9.009 -2.139 665 1HG LYS 86 1HG LYS 86 3.920 -7.569 -3.819 666 2HG LYS 86 2HG LYS 86 5.361 -7.737 -4.823 667 1HD LYS 86 1HD LYS 86 3.519 -9.978 -3.985 668 2HD LYS 86 2HD LYS 86 3.559 -9.219 -5.578 669 1HE LYS 86 1HE LYS 86 5.879 -9.960 -5.863 670 2HE LYS 86 2HE LYS 86 5.824 -10.728 -4.277 671 1HZ LYS 86 1HZ LYS 86 5.426 -12.409 -5.856 672 2HZ LYS 86 2HZ LYS 86 4.301 -11.475 -6.705 673 3HZ LYS 86 3HZ LYS 86 3.917 -12.069 -5.169 674 H VAL 87 H VAL 87 4.935 -6.759 -0.088 675 HA VAL 87 HA VAL 87 6.576 -8.418 1.597 676 HB VAL 87 HB VAL 87 6.488 -5.438 2.105 677 1HG1 VAL 87 1HG1 VAL 87 7.328 -5.790 4.157 678 2HG1 VAL 87 2HG1 VAL 87 8.378 -7.096 3.609 679 3HG1 VAL 87 3HG1 VAL 87 6.683 -7.420 3.969 680 1HG2 VAL 87 1HG2 VAL 87 8.719 -7.221 1.144 681 2HG2 VAL 87 2HG2 VAL 87 8.959 -5.584 1.754 682 3HG2 VAL 87 3HG2 VAL 87 7.996 -5.850 0.301 683 H VAL 88 H VAL 88 4.443 -9.400 1.760 684 HA VAL 88 HA VAL 88 2.184 -8.102 2.768 685 HB VAL 88 HB VAL 88 1.883 -10.259 1.807 686 1HG1 VAL 88 1HG1 VAL 88 4.096 -11.000 3.620 687 2HG1 VAL 88 2HG1 VAL 88 3.726 -11.560 1.990 688 3HG1 VAL 88 3HG1 VAL 88 2.852 -12.225 3.368 689 1HG2 VAL 88 1HG2 VAL 88 1.410 -10.365 4.787 690 2HG2 VAL 88 2HG2 VAL 88 0.751 -11.523 3.635 691 3HG2 VAL 88 3HG2 VAL 88 0.285 -9.825 3.540 692 H GLY 89 H GLY 89 2.749 -6.723 4.433 693 1HA GLY 89 1HA GLY 89 2.280 -7.031 6.942 694 2HA GLY 89 2HA GLY 89 3.772 -7.962 6.900 695 H ALA 90 H ALA 90 2.607 -5.090 7.796 696 HA ALA 90 HA ALA 90 4.753 -3.416 6.775 697 1HB ALA 90 1HB ALA 90 3.552 -1.779 8.471 698 2HB ALA 90 2HB ALA 90 2.247 -2.954 8.301 699 3HB ALA 90 3HB ALA 90 2.878 -2.125 6.879 700 H ASN 91 H ASN 91 5.862 -5.453 8.168 701 HA ASN 91 HA ASN 91 6.297 -5.151 10.890 702 1HB ASN 91 1HB ASN 91 7.093 -7.070 9.553 703 2HB ASN 91 2HB ASN 91 8.263 -6.031 8.755 704 1HD2 ASN 91 1HD2 ASN 91 7.951 -5.201 12.012 705 2HD2 ASN 91 2HD2 ASN 91 9.314 -6.061 12.613 706 HA PRO 92 HA PRO 92 7.782 -0.867 11.044 707 1HB PRO 92 1HB PRO 92 9.075 -2.257 13.376 708 2HB PRO 92 2HB PRO 92 8.407 -0.621 13.284 709 1HG PRO 92 1HG PRO 92 6.979 -2.626 14.324 710 2HG PRO 92 2HG PRO 92 6.217 -1.363 13.340 711 1HD PRO 92 1HD PRO 92 6.675 -4.196 12.704 712 2HD PRO 92 2HD PRO 92 5.554 -3.044 11.960 713 H ALA 93 H ALA 93 9.840 -3.741 11.258 714 HA ALA 93 HA ALA 93 12.182 -2.169 10.502 715 1HB ALA 93 1HB ALA 93 11.760 -4.871 11.660 716 2HB ALA 93 2HB ALA 93 12.885 -3.597 12.135 717 3HB ALA 93 3HB ALA 93 13.221 -4.585 10.714 718 H ALA 94 H ALA 94 9.987 -2.616 8.591 719 HA ALA 94 HA ALA 94 11.613 -3.586 6.412 720 1HB ALA 94 1HB ALA 94 9.881 -5.157 5.587 721 2HB ALA 94 2HB ALA 94 9.007 -4.929 7.102 722 3HB ALA 94 3HB ALA 94 10.611 -5.660 7.112 723 H ILE 95 H ILE 95 8.187 -2.778 7.086 724 HA ILE 95 HA ILE 95 7.604 -1.665 4.629 725 HB ILE 95 HB ILE 95 5.860 -2.048 6.226 726 1HG1 ILE 95 1HG1 ILE 95 4.614 0.043 6.119 727 2HG1 ILE 95 2HG1 ILE 95 6.096 0.940 5.803 728 1HG2 ILE 95 1HG2 ILE 95 5.812 -0.162 8.138 729 2HG2 ILE 95 2HG2 ILE 95 7.553 -0.376 7.959 730 3HG2 ILE 95 3HG2 ILE 95 6.530 -1.757 8.356 731 1HD1 ILE 95 1HD1 ILE 95 5.491 0.758 3.666 732 2HD1 ILE 95 2HD1 ILE 95 4.385 -0.575 3.991 733 3HD1 ILE 95 3HD1 ILE 95 6.108 -0.888 3.785 734 H LYS 96 H LYS 96 9.879 -0.529 6.881 735 HA LYS 96 HA LYS 96 9.637 2.253 6.022 736 1HB LYS 96 1HB LYS 96 11.312 2.772 7.674 737 2HB LYS 96 2HB LYS 96 10.101 1.733 8.409 738 1HG LYS 96 1HG LYS 96 11.601 -0.190 8.134 739 2HG LYS 96 2HG LYS 96 12.819 0.881 7.439 740 1HD LYS 96 1HD LYS 96 12.808 2.187 9.544 741 2HD LYS 96 2HD LYS 96 11.687 1.010 10.232 742 1HE LYS 96 1HE LYS 96 13.354 -0.758 9.887 743 2HE LYS 96 2HE LYS 96 14.473 0.433 9.227 744 1HZ LYS 96 1HZ LYS 96 15.184 0.492 11.344 745 2HZ LYS 96 2HZ LYS 96 13.726 -0.078 11.985 746 3HZ LYS 96 3HZ LYS 96 13.884 1.553 11.563 747 H GLN 97 H GLN 97 12.084 -0.334 5.992 748 HA GLN 97 HA GLN 97 13.904 1.095 4.351 749 1HB GLN 97 1HB GLN 97 13.692 -1.897 4.730 750 2HB GLN 97 2HB GLN 97 15.110 -0.996 4.209 751 1HG GLN 97 1HG GLN 97 13.802 -0.718 6.902 752 2HG GLN 97 2HG GLN 97 15.202 -1.727 6.565 753 1HE2 GLN 97 1HE2 GLN 97 17.034 -0.836 7.152 754 2HE2 GLN 97 2HE2 GLN 97 17.408 0.851 7.131 755 H ALA 98 H ALA 98 11.219 -1.060 3.750 756 HA ALA 98 HA ALA 98 11.759 -1.685 1.062 757 1HB ALA 98 1HB ALA 98 9.234 -1.607 2.680 758 2HB ALA 98 2HB ALA 98 10.136 -3.008 2.101 759 3HB ALA 98 3HB ALA 98 9.220 -2.018 0.964 760 H ILE 99 H ILE 99 10.304 1.090 2.594 761 HA ILE 99 HA ILE 99 9.474 2.242 0.056 762 HB ILE 99 HB ILE 99 9.318 3.429 2.831 763 1HG1 ILE 99 1HG1 ILE 99 7.217 1.967 1.216 764 2HG1 ILE 99 2HG1 ILE 99 8.026 1.344 2.650 765 1HG2 ILE 99 1HG2 ILE 99 8.757 4.469 0.193 766 2HG2 ILE 99 2HG2 ILE 99 8.769 5.297 1.749 767 3HG2 ILE 99 3HG2 ILE 99 7.310 4.474 1.201 768 1HD1 ILE 99 1HD1 ILE 99 6.743 2.545 4.049 769 2HD1 ILE 99 2HD1 ILE 99 5.631 2.552 2.682 770 3HD1 ILE 99 3HD1 ILE 99 6.681 3.938 2.970 771 H ALA 100 H ALA 100 12.301 2.121 1.852 772 HA ALA 100 HA ALA 100 13.188 4.812 1.197 773 1HB ALA 100 1HB ALA 100 13.702 3.418 3.360 774 2HB ALA 100 2HB ALA 100 14.912 4.502 2.675 775 3HB ALA 100 3HB ALA 100 15.009 2.769 2.371 776 H ALA 101 H ALA 101 14.721 1.618 0.789 777 HA ALA 101 HA ALA 101 16.501 2.358 -1.203 778 1HB ALA 101 1HB ALA 101 15.388 -0.201 -0.231 779 2HB ALA 101 2HB ALA 101 17.065 0.313 -0.415 780 3HB ALA 101 3HB ALA 101 16.147 -0.223 -1.823 781 H ASN 102 H ASN 102 13.110 1.561 -1.429 782 HA ASN 102 HA ASN 102 13.123 1.243 -4.279 783 1HB ASN 102 1HB ASN 102 10.908 1.509 -2.239 784 2HB ASN 102 2HB ASN 102 10.642 1.222 -3.956 785 1HD2 ASN 102 1HD2 ASN 102 13.422 -0.385 -3.287 786 2HD2 ASN 102 2HD2 ASN 102 12.773 -1.933 -2.894 787 H ALA 103 H ALA 103 11.825 3.676 -2.019 788 HA ALA 103 HA ALA 103 10.927 5.482 -3.967 789 1HB ALA 103 1HB ALA 103 10.264 5.550 -1.591 790 2HB ALA 103 2HB ALA 103 10.819 7.114 -2.188 791 3HB ALA 103 3HB ALA 103 11.879 6.130 -1.180 Start of MODEL 10 1 1H MET 1 1H MET 1 -0.245 13.769 3.230 2 2H MET 1 2H MET 1 0.032 12.363 2.285 3 3H MET 1 3H MET 1 0.517 12.403 3.931 4 HA MET 1 HA MET 1 -1.627 12.336 4.705 5 1HB MET 1 1HB MET 1 -3.562 12.617 3.211 6 2HB MET 1 2HB MET 1 -2.514 14.027 3.172 7 1HG MET 1 1HG MET 1 -1.542 13.252 1.074 8 2HG MET 1 2HG MET 1 -2.586 11.834 1.113 9 1HE MET 1 1HE MET 1 -2.345 13.596 -1.331 10 2HE MET 1 2HE MET 1 -3.962 14.113 -1.810 11 3HE MET 1 3HE MET 1 -3.663 12.426 -1.390 12 H VAL 2 H VAL 2 -3.538 10.704 3.907 13 HA VAL 2 HA VAL 2 -2.492 8.462 2.404 14 HB VAL 2 HB VAL 2 -3.148 8.128 5.336 15 1HG1 VAL 2 1HG1 VAL 2 -3.780 6.234 3.829 16 2HG1 VAL 2 2HG1 VAL 2 -2.595 5.829 5.071 17 3HG1 VAL 2 3HG1 VAL 2 -2.074 6.082 3.409 18 1HG2 VAL 2 1HG2 VAL 2 -1.014 9.137 5.218 19 2HG2 VAL 2 2HG2 VAL 2 -0.532 8.125 3.856 20 3HG2 VAL 2 3HG2 VAL 2 -0.731 7.412 5.455 21 H THR 3 H THR 3 -4.097 7.270 1.498 22 HA THR 3 HA THR 3 -6.785 7.336 2.604 23 HB THR 3 HB THR 3 -6.179 8.365 -0.175 24 HG1 THR 3 HG1 THR 3 -7.250 9.651 2.114 25 1HG2 THR 3 1HG2 THR 3 -8.585 8.888 -0.282 26 2HG2 THR 3 2HG2 THR 3 -8.822 7.968 1.203 27 3HG2 THR 3 3HG2 THR 3 -8.249 7.158 -0.256 28 H GLN 4 H GLN 4 -8.264 5.858 1.450 29 HA GLN 4 HA GLN 4 -6.784 3.534 0.445 30 1HB GLN 4 1HB GLN 4 -9.094 2.415 0.832 31 2HB GLN 4 2HB GLN 4 -8.082 2.795 2.216 32 1HG GLN 4 1HG GLN 4 -10.432 3.345 2.596 33 2HG GLN 4 2HG GLN 4 -9.391 4.762 2.688 34 1HE2 GLN 4 1HE2 GLN 4 -12.231 3.592 1.510 35 2HE2 GLN 4 2HE2 GLN 4 -12.518 4.742 0.252 36 H PHE 5 H PHE 5 -8.461 2.133 -1.021 37 HA PHE 5 HA PHE 5 -9.402 3.958 -3.133 38 1HB PHE 5 1HB PHE 5 -7.955 1.326 -3.491 39 2HB PHE 5 2HB PHE 5 -8.690 2.259 -4.801 40 HD1 PHE 5 HD1 PHE 5 -7.901 5.004 -3.904 41 HD2 PHE 5 HD2 PHE 5 -5.698 1.361 -4.096 42 HE1 PHE 5 HE1 PHE 5 -5.822 6.286 -4.206 43 HE2 PHE 5 HE2 PHE 5 -3.618 2.642 -4.401 44 HZ PHE 5 HZ PHE 5 -3.676 5.101 -4.456 45 H LYS 6 H LYS 6 -11.160 3.286 -4.384 46 HA LYS 6 HA LYS 6 -12.665 0.984 -3.346 47 1HB LYS 6 1HB LYS 6 -13.696 3.760 -3.916 48 2HB LYS 6 2HB LYS 6 -14.757 2.364 -3.796 49 1HG LYS 6 1HG LYS 6 -12.919 3.349 -1.624 50 2HG LYS 6 2HG LYS 6 -14.658 3.636 -1.709 51 1HD LYS 6 1HD LYS 6 -15.042 1.203 -1.626 52 2HD LYS 6 2HD LYS 6 -13.302 0.946 -1.495 53 1HE LYS 6 1HE LYS 6 -13.271 2.201 0.602 54 2HE LYS 6 2HE LYS 6 -15.008 2.474 0.467 55 1HZ LYS 6 1HZ LYS 6 -15.085 0.643 1.750 56 2HZ LYS 6 2HZ LYS 6 -13.563 0.086 1.267 57 3HZ LYS 6 3HZ LYS 6 -14.910 -0.175 0.280 58 H THR 7 H THR 7 -12.020 3.143 -6.073 59 HA THR 7 HA THR 7 -13.157 1.083 -7.845 60 HB THR 7 HB THR 7 -12.804 3.998 -8.542 61 HG1 THR 7 HG1 THR 7 -15.144 2.684 -7.624 62 1HG2 THR 7 1HG2 THR 7 -14.891 3.115 -9.998 63 2HG2 THR 7 2HG2 THR 7 -13.893 1.662 -9.936 64 3HG2 THR 7 3HG2 THR 7 -13.226 3.164 -10.575 65 H ALA 8 H ALA 8 -12.069 0.978 -10.006 66 HA ALA 8 HA ALA 8 -9.239 0.753 -9.613 67 1HB ALA 8 1HB ALA 8 -10.291 -0.948 -10.912 68 2HB ALA 8 2HB ALA 8 -9.248 -0.029 -11.997 69 3HB ALA 8 3HB ALA 8 -10.990 0.242 -12.011 70 H SER 9 H SER 9 -11.379 3.046 -11.072 71 HA SER 9 HA SER 9 -9.544 4.389 -12.732 72 1HB SER 9 1HB SER 9 -12.021 5.418 -11.331 73 2HB SER 9 2HB SER 9 -11.164 6.266 -12.621 74 HG SER 9 HG SER 9 -11.556 4.246 -13.863 75 H GLU 10 H GLU 10 -9.701 4.170 -9.354 76 HA GLU 10 HA GLU 10 -8.515 6.755 -8.875 77 1HB GLU 10 1HB GLU 10 -9.179 4.519 -6.969 78 2HB GLU 10 2HB GLU 10 -8.590 6.108 -6.498 79 1HG GLU 10 1HG GLU 10 -10.594 7.134 -7.441 80 2HG GLU 10 2HG GLU 10 -11.183 5.542 -7.921 81 H PHE 11 H PHE 11 -7.649 3.533 -7.766 82 HA PHE 11 HA PHE 11 -4.984 4.079 -7.200 83 1HB PHE 11 1HB PHE 11 -6.331 2.048 -6.504 84 2HB PHE 11 2HB PHE 11 -6.019 1.391 -8.106 85 HD1 PHE 11 HD1 PHE 11 -5.164 -0.423 -6.349 86 HD2 PHE 11 HD2 PHE 11 -3.205 3.256 -7.222 87 HE1 PHE 11 HE1 PHE 11 -3.039 -1.356 -5.531 88 HE2 PHE 11 HE2 PHE 11 -1.084 2.323 -6.417 89 HZ PHE 11 HZ PHE 11 -1.000 0.019 -5.570 90 H ASP 12 H ASP 12 -6.528 3.415 -10.242 91 HA ASP 12 HA ASP 12 -4.389 2.485 -11.757 92 1HB ASP 12 1HB ASP 12 -6.688 2.541 -12.599 93 2HB ASP 12 2HB ASP 12 -6.650 4.302 -12.627 94 H SER 13 H SER 13 -5.327 5.815 -10.990 95 HA SER 13 HA SER 13 -3.148 6.923 -12.525 96 1HB SER 13 1HB SER 13 -5.081 8.243 -10.605 97 2HB SER 13 2HB SER 13 -3.944 9.094 -11.650 98 HG SER 13 HG SER 13 -5.055 7.919 -13.415 99 H ALA 14 H ALA 14 -3.694 5.924 -9.255 100 HA ALA 14 HA ALA 14 -1.844 7.480 -7.878 101 1HB ALA 14 1HB ALA 14 -1.893 4.732 -6.941 102 2HB ALA 14 2HB ALA 14 -3.506 5.365 -7.260 103 3HB ALA 14 3HB ALA 14 -2.433 6.210 -6.146 104 H ILE 15 H ILE 15 -1.354 4.389 -9.566 105 HA ILE 15 HA ILE 15 1.467 4.371 -8.979 106 HB ILE 15 HB ILE 15 1.571 2.375 -10.396 107 1HG1 ILE 15 1HG1 ILE 15 -1.373 2.916 -10.852 108 2HG1 ILE 15 2HG1 ILE 15 -0.103 2.915 -12.071 109 1HG2 ILE 15 1HG2 ILE 15 0.607 0.976 -8.845 110 2HG2 ILE 15 2HG2 ILE 15 -0.816 1.998 -8.648 111 3HG2 ILE 15 3HG2 ILE 15 0.722 2.483 -7.937 112 1HD1 ILE 15 1HD1 ILE 15 0.226 0.545 -11.777 113 2HD1 ILE 15 2HD1 ILE 15 -1.470 0.884 -12.123 114 3HD1 ILE 15 3HD1 ILE 15 -0.963 0.517 -10.474 115 H ALA 16 H ALA 16 -0.482 4.801 -11.928 116 HA ALA 16 HA ALA 16 1.432 5.079 -13.823 117 1HB ALA 16 1HB ALA 16 -0.850 5.216 -14.450 118 2HB ALA 16 2HB ALA 16 -0.094 6.732 -14.938 119 3HB ALA 16 3HB ALA 16 -1.095 6.673 -13.488 120 H GLN 17 H GLN 17 3.354 6.001 -13.356 121 HA GLN 17 HA GLN 17 4.910 7.579 -12.800 122 1HB GLN 17 1HB GLN 17 2.923 9.310 -14.281 123 2HB GLN 17 2HB GLN 17 4.600 9.732 -13.966 124 1HG GLN 17 1HG GLN 17 5.338 7.837 -15.311 125 2HG GLN 17 2HG GLN 17 3.654 7.400 -15.621 126 1HE2 GLN 17 1HE2 GLN 17 6.256 8.844 -16.932 127 2HE2 GLN 17 2HE2 GLN 17 5.484 9.919 -18.042 128 H ASP 18 H ASP 18 4.749 7.635 -10.552 129 HA ASP 18 HA ASP 18 4.051 10.135 -9.446 130 1HB ASP 18 1HB ASP 18 1.769 9.230 -9.682 131 2HB ASP 18 2HB ASP 18 2.227 7.839 -8.705 132 H LYS 19 H LYS 19 6.338 8.491 -9.445 133 HA LYS 19 HA LYS 19 7.984 7.800 -8.029 134 1HB LYS 19 1HB LYS 19 6.167 9.064 -5.990 135 2HB LYS 19 2HB LYS 19 7.820 8.571 -5.670 136 1HG LYS 19 1HG LYS 19 7.848 10.905 -6.019 137 2HG LYS 19 2HG LYS 19 8.547 10.160 -7.457 138 1HD LYS 19 1HD LYS 19 6.506 10.479 -8.685 139 2HD LYS 19 2HD LYS 19 5.671 11.043 -7.236 140 1HE LYS 19 1HE LYS 19 6.294 12.911 -8.671 141 2HE LYS 19 2HE LYS 19 7.159 12.979 -7.136 142 1HZ LYS 19 1HZ LYS 19 9.069 11.933 -8.281 143 2HZ LYS 19 2HZ LYS 19 8.676 13.458 -8.897 144 3HZ LYS 19 3HZ LYS 19 8.236 12.064 -9.747 145 H LEU 20 H LEU 20 7.647 6.852 -5.331 146 HA LEU 20 HA LEU 20 6.523 4.234 -5.959 147 1HB LEU 20 1HB LEU 20 8.782 4.184 -5.167 148 2HB LEU 20 2HB LEU 20 8.375 5.208 -3.790 149 HG LEU 20 HG LEU 20 6.915 3.344 -2.949 150 1HD1 LEU 20 1HD1 LEU 20 6.602 1.460 -4.080 151 2HD1 LEU 20 2HD1 LEU 20 8.320 1.291 -4.436 152 3HD1 LEU 20 3HD1 LEU 20 7.301 2.291 -5.470 153 1HD2 LEU 20 1HD2 LEU 20 8.928 3.564 -1.820 154 2HD2 LEU 20 2HD2 LEU 20 9.884 3.101 -3.229 155 3HD2 LEU 20 3HD2 LEU 20 8.958 1.882 -2.352 156 H VAL 21 H VAL 21 4.528 3.836 -5.342 157 HA VAL 21 HA VAL 21 3.420 5.247 -3.024 158 HB VAL 21 HB VAL 21 1.957 3.697 -5.166 159 1HG1 VAL 21 1HG1 VAL 21 0.850 3.863 -2.923 160 2HG1 VAL 21 2HG1 VAL 21 -0.056 4.585 -4.253 161 3HG1 VAL 21 3HG1 VAL 21 0.835 5.615 -3.133 162 1HG2 VAL 21 1HG2 VAL 21 2.989 6.418 -5.097 163 2HG2 VAL 21 2HG2 VAL 21 1.253 6.352 -5.407 164 3HG2 VAL 21 3HG2 VAL 21 2.371 5.474 -6.453 165 H VAL 22 H VAL 22 2.789 4.191 -1.231 166 HA VAL 22 HA VAL 22 3.276 1.299 -1.127 167 HB VAL 22 HB VAL 22 2.866 3.233 1.161 168 1HG1 VAL 22 1HG1 VAL 22 2.457 1.285 2.222 169 2HG1 VAL 22 2HG1 VAL 22 4.215 1.146 2.201 170 3HG1 VAL 22 3HG1 VAL 22 3.251 0.318 0.979 171 1HG2 VAL 22 1HG2 VAL 22 4.908 3.663 -0.221 172 2HG2 VAL 22 2HG2 VAL 22 5.459 2.040 0.197 173 3HG2 VAL 22 3HG2 VAL 22 5.234 3.249 1.462 174 H VAL 23 H VAL 23 1.363 0.494 -1.987 175 HA VAL 23 HA VAL 23 -1.139 1.279 -0.684 176 HB VAL 23 HB VAL 23 -0.773 -0.453 -3.131 177 1HG1 VAL 23 1HG1 VAL 23 -3.266 1.025 -2.393 178 2HG1 VAL 23 2HG1 VAL 23 -2.918 -0.543 -1.663 179 3HG1 VAL 23 3HG1 VAL 23 -3.067 -0.399 -3.415 180 1HG2 VAL 23 1HG2 VAL 23 -1.884 1.935 -3.936 181 2HG2 VAL 23 2HG2 VAL 23 -0.205 1.449 -4.156 182 3HG2 VAL 23 3HG2 VAL 23 -0.662 2.434 -2.767 183 H ASP 24 H ASP 24 -2.058 0.055 0.785 184 HA ASP 24 HA ASP 24 -1.035 -2.651 1.236 185 1HB ASP 24 1HB ASP 24 -0.974 -1.067 3.126 186 2HB ASP 24 2HB ASP 24 -2.729 -0.871 3.010 187 H PHE 25 H PHE 25 -2.269 -4.423 0.878 188 HA PHE 25 HA PHE 25 -5.020 -4.035 -0.026 189 1HB PHE 25 1HB PHE 25 -2.984 -6.241 -0.328 190 2HB PHE 25 2HB PHE 25 -4.680 -6.491 -0.731 191 HD1 PHE 25 HD1 PHE 25 -2.190 -3.770 -1.417 192 HD2 PHE 25 HD2 PHE 25 -5.052 -6.520 -2.936 193 HE1 PHE 25 HE1 PHE 25 -1.735 -2.964 -3.700 194 HE2 PHE 25 HE2 PHE 25 -4.630 -5.708 -5.213 195 HZ PHE 25 HZ PHE 25 -2.973 -3.925 -5.603 196 H TYR 26 H TYR 26 -4.834 -3.687 2.635 197 HA TYR 26 HA TYR 26 -4.910 -5.830 4.349 198 1HB TYR 26 1HB TYR 26 -6.532 -4.387 5.706 199 2HB TYR 26 2HB TYR 26 -4.955 -3.703 5.338 200 HD1 TYR 26 HD1 TYR 26 -8.300 -3.867 3.641 201 HD2 TYR 26 HD2 TYR 26 -5.004 -1.454 4.822 202 HE1 TYR 26 HE1 TYR 26 -9.382 -1.902 2.649 203 HE2 TYR 26 HE2 TYR 26 -6.082 0.506 3.870 204 HH TYR 26 HH TYR 26 -8.241 0.557 1.710 205 H ALA 27 H ALA 27 -6.371 -7.318 5.021 206 HA ALA 27 HA ALA 27 -8.336 -8.198 3.224 207 1HB ALA 27 1HB ALA 27 -9.125 -9.445 5.433 208 2HB ALA 27 2HB ALA 27 -7.544 -8.902 5.993 209 3HB ALA 27 3HB ALA 27 -7.669 -9.917 4.557 210 H THR 28 H THR 28 -10.544 -7.988 3.172 211 HA THR 28 HA THR 28 -11.618 -5.583 4.205 212 HB THR 28 HB THR 28 -12.436 -6.457 2.115 213 HG1 THR 28 HG1 THR 28 -13.918 -5.367 3.619 214 1HG2 THR 28 1HG2 THR 28 -13.216 -8.865 3.718 215 2HG2 THR 28 2HG2 THR 28 -12.268 -8.782 2.232 216 3HG2 THR 28 3HG2 THR 28 -14.002 -8.458 2.191 217 H TRP 29 H TRP 29 -11.182 -8.608 5.634 218 HA TRP 29 HA TRP 29 -13.377 -8.168 7.536 219 1HB TRP 29 1HB TRP 29 -12.856 -10.606 8.170 220 2HB TRP 29 2HB TRP 29 -13.650 -10.309 6.617 221 HD1 TRP 29 HD1 TRP 29 -12.120 -10.592 4.394 222 HE1 TRP 29 HE1 TRP 29 -10.000 -11.990 3.976 223 HE3 TRP 29 HE3 TRP 29 -10.755 -11.461 9.240 224 HZ2 TRP 29 HZ2 TRP 29 -8.007 -13.276 5.496 225 HZ3 TRP 29 HZ3 TRP 29 -8.723 -12.772 9.676 226 HH2 TRP 29 HH2 TRP 29 -7.377 -13.666 7.842 227 H CYS 30 H CYS 30 -9.925 -9.061 7.396 228 HA CYS 30 HA CYS 30 -9.299 -9.405 10.008 229 1HB CYS 30 1HB CYS 30 -7.673 -9.423 8.081 230 2HB CYS 30 2HB CYS 30 -7.626 -7.662 8.191 231 HG CYS 30 HG CYS 30 -6.164 -9.596 10.013 232 H GLY 31 H GLY 31 -8.990 -8.200 11.835 233 1HA GLY 31 1HA GLY 31 -10.188 -5.543 11.816 234 2HA GLY 31 2HA GLY 31 -9.786 -6.495 13.237 235 HA PRO 32 HA PRO 32 -5.841 -4.682 14.067 236 1HB PRO 32 1HB PRO 32 -4.401 -6.753 12.456 237 2HB PRO 32 2HB PRO 32 -4.052 -6.149 14.081 238 1HG PRO 32 1HG PRO 32 -5.239 -8.505 13.742 239 2HG PRO 32 2HG PRO 32 -5.726 -7.422 15.058 240 1HD PRO 32 1HD PRO 32 -7.125 -8.055 12.512 241 2HD PRO 32 2HD PRO 32 -7.799 -7.624 14.096 242 H CYS 33 H CYS 33 -6.378 -5.648 10.735 243 HA CYS 33 HA CYS 33 -4.389 -4.041 9.541 244 1HB CYS 33 1HB CYS 33 -6.992 -5.132 8.460 245 2HB CYS 33 2HB CYS 33 -5.800 -4.278 7.470 246 HG CYS 33 HG CYS 33 -4.839 -6.823 8.923 247 H LYS 34 H LYS 34 -7.459 -3.261 10.914 248 HA LYS 34 HA LYS 34 -7.952 -0.890 9.408 249 1HB LYS 34 1HB LYS 34 -9.040 -1.747 12.094 250 2HB LYS 34 2HB LYS 34 -9.656 -0.413 11.130 251 1HG LYS 34 1HG LYS 34 -10.269 -1.974 9.355 252 2HG LYS 34 2HG LYS 34 -9.646 -3.314 10.321 253 1HD LYS 34 1HD LYS 34 -11.291 -2.830 12.062 254 2HD LYS 34 2HD LYS 34 -11.907 -1.478 11.110 255 1HE LYS 34 1HE LYS 34 -11.932 -4.380 10.290 256 2HE LYS 34 2HE LYS 34 -13.320 -3.457 10.866 257 1HZ LYS 34 1HZ LYS 34 -13.436 -3.494 8.523 258 2HZ LYS 34 2HZ LYS 34 -11.809 -3.071 8.345 259 3HZ LYS 34 3HZ LYS 34 -12.916 -1.937 8.934 260 H MET 35 H MET 35 -6.137 -1.598 12.304 261 HA MET 35 HA MET 35 -5.905 1.160 13.115 262 1HB MET 35 1HB MET 35 -4.501 -1.361 13.988 263 2HB MET 35 2HB MET 35 -4.130 0.218 14.662 264 1HG MET 35 1HG MET 35 -5.619 -0.929 16.139 265 2HG MET 35 2HG MET 35 -6.478 0.418 15.397 266 1HE MET 35 1HE MET 35 -8.823 -0.616 16.163 267 2HE MET 35 2HE MET 35 -7.933 -1.921 16.944 268 3HE MET 35 3HE MET 35 -9.277 -2.293 15.866 269 H ILE 36 H ILE 36 -4.787 -0.283 10.500 270 HA ILE 36 HA ILE 36 -2.022 0.509 10.533 271 HB ILE 36 HB ILE 36 -3.813 -0.611 8.387 272 1HG1 ILE 36 1HG1 ILE 36 -1.531 -1.810 9.964 273 2HG1 ILE 36 2HG1 ILE 36 -3.241 -2.137 10.222 274 1HG2 ILE 36 1HG2 ILE 36 -1.384 -1.043 7.389 275 2HG2 ILE 36 2HG2 ILE 36 -1.076 0.475 8.234 276 3HG2 ILE 36 3HG2 ILE 36 -2.341 0.389 7.008 277 1HD1 ILE 36 1HD1 ILE 36 -1.502 -2.949 7.934 278 2HD1 ILE 36 2HD1 ILE 36 -3.261 -2.932 7.800 279 3HD1 ILE 36 3HD1 ILE 36 -2.478 -3.954 9.005 280 H ALA 37 H ALA 37 -5.047 1.865 9.445 281 HA ALA 37 HA ALA 37 -4.275 3.630 7.489 282 1HB ALA 37 1HB ALA 37 -6.600 3.199 8.470 283 2HB ALA 37 2HB ALA 37 -6.234 4.830 7.909 284 3HB ALA 37 3HB ALA 37 -6.200 4.462 9.633 285 HA PRO 38 HA PRO 38 -2.944 6.861 10.797 286 1HB PRO 38 1HB PRO 38 -2.278 5.934 13.265 287 2HB PRO 38 2HB PRO 38 -3.907 6.491 12.853 288 1HG PRO 38 1HG PRO 38 -2.851 3.714 13.089 289 2HG PRO 38 2HG PRO 38 -4.438 4.356 13.543 290 1HD PRO 38 1HD PRO 38 -3.942 2.928 11.258 291 2HD PRO 38 2HD PRO 38 -5.280 4.069 11.433 292 H MET 39 H MET 39 -1.593 3.607 11.152 293 HA MET 39 HA MET 39 1.090 4.386 11.553 294 1HB MET 39 1HB MET 39 0.299 2.100 11.979 295 2HB MET 39 2HB MET 39 -0.009 1.869 10.271 296 1HG MET 39 1HG MET 39 2.353 2.113 9.832 297 2HG MET 39 2HG MET 39 2.669 2.359 11.540 298 1HE MET 39 1HE MET 39 1.676 -1.111 9.049 299 2HE MET 39 2HE MET 39 0.671 0.328 9.218 300 3HE MET 39 3HE MET 39 0.314 -1.114 10.169 301 H ILE 40 H ILE 40 -0.648 3.361 8.621 302 HA ILE 40 HA ILE 40 1.310 3.672 6.720 303 HB ILE 40 HB ILE 40 -1.646 4.304 6.532 304 1HG1 ILE 40 1HG1 ILE 40 -0.011 1.916 5.645 305 2HG1 ILE 40 2HG1 ILE 40 -1.114 1.975 7.014 306 1HG2 ILE 40 1HG2 ILE 40 0.380 4.097 4.301 307 2HG2 ILE 40 2HG2 ILE 40 -0.518 5.537 4.780 308 3HG2 ILE 40 3HG2 ILE 40 -1.369 4.159 4.079 309 1HD1 ILE 40 1HD1 ILE 40 -1.803 0.991 4.641 310 2HD1 ILE 40 2HD1 ILE 40 -2.236 2.679 4.373 311 3HD1 ILE 40 3HD1 ILE 40 -2.956 1.786 5.711 312 H GLU 41 H GLU 41 -0.437 6.126 8.464 313 HA GLU 41 HA GLU 41 0.366 8.297 6.762 314 1HB GLU 41 1HB GLU 41 -1.716 8.392 8.044 315 2HB GLU 41 2HB GLU 41 -0.812 8.289 9.549 316 1HG GLU 41 1HG GLU 41 0.265 10.437 9.021 317 2HG GLU 41 2HG GLU 41 -0.694 10.539 7.543 318 H LYS 42 H LYS 42 1.499 6.832 9.754 319 HA LYS 42 HA LYS 42 3.317 8.809 10.541 320 1HB LYS 42 1HB LYS 42 3.447 5.815 10.942 321 2HB LYS 42 2HB LYS 42 4.392 7.002 11.831 322 1HG LYS 42 1HG LYS 42 1.398 6.934 11.816 323 2HG LYS 42 2HG LYS 42 2.398 6.132 13.023 324 1HD LYS 42 1HD LYS 42 3.464 8.375 13.459 325 2HD LYS 42 2HD LYS 42 2.200 9.079 12.446 326 1HE LYS 42 1HE LYS 42 0.504 8.115 13.925 327 2HE LYS 42 2HE LYS 42 1.782 7.450 14.939 328 1HZ LYS 42 1HZ LYS 42 0.920 9.509 15.856 329 2HZ LYS 42 2HZ LYS 42 1.301 10.338 14.432 330 3HZ LYS 42 3HZ LYS 42 2.537 9.704 15.396 331 H PHE 43 H PHE 43 3.459 6.526 7.953 332 HA PHE 43 HA PHE 43 6.343 6.753 7.683 333 1HB PHE 43 1HB PHE 43 4.281 5.231 6.083 334 2HB PHE 43 2HB PHE 43 6.004 5.240 5.707 335 HD1 PHE 43 HD1 PHE 43 3.857 4.741 8.718 336 HD2 PHE 43 HD2 PHE 43 7.166 3.400 6.404 337 HE1 PHE 43 HE1 PHE 43 4.204 2.886 10.296 338 HE2 PHE 43 HE2 PHE 43 7.517 1.540 7.975 339 HZ PHE 43 HZ PHE 43 6.034 1.280 9.925 340 H SER 44 H SER 44 3.524 8.270 6.466 341 HA SER 44 HA SER 44 4.656 9.179 4.002 342 1HB SER 44 1HB SER 44 2.687 10.658 3.883 343 2HB SER 44 2HB SER 44 2.223 8.997 4.291 344 HG SER 44 HG SER 44 1.730 11.225 5.650 345 H GLU 45 H GLU 45 5.312 9.983 7.170 346 HA GLU 45 HA GLU 45 5.815 12.804 6.669 347 1HB GLU 45 1HB GLU 45 6.326 11.133 9.138 348 2HB GLU 45 2HB GLU 45 6.487 12.881 9.031 349 1HG GLU 45 1HG GLU 45 3.935 11.324 8.680 350 2HG GLU 45 2HG GLU 45 4.408 12.230 10.116 351 H GLN 46 H GLN 46 7.533 9.782 6.894 352 HA GLN 46 HA GLN 46 10.125 11.100 6.908 353 1HB GLN 46 1HB GLN 46 9.388 8.172 6.873 354 2HB GLN 46 2HB GLN 46 11.029 8.798 6.989 355 1HG GLN 46 1HG GLN 46 10.465 9.894 9.091 356 2HG GLN 46 2HG GLN 46 8.822 9.269 8.975 357 1HE2 GLN 46 1HE2 GLN 46 8.470 7.587 10.211 358 2HE2 GLN 46 2HE2 GLN 46 9.630 6.355 10.631 359 H TYR 47 H TYR 47 7.990 9.471 4.671 360 HA TYR 47 HA TYR 47 9.989 9.920 2.549 361 1HB TYR 47 1HB TYR 47 7.932 7.708 2.694 362 2HB TYR 47 2HB TYR 47 9.069 7.973 1.374 363 HD1 TYR 47 HD1 TYR 47 11.603 7.981 2.059 364 HD2 TYR 47 HD2 TYR 47 8.494 6.256 4.389 365 HE1 TYR 47 HE1 TYR 47 13.260 6.575 3.214 366 HE2 TYR 47 HE2 TYR 47 10.139 4.835 5.548 367 HH TYR 47 HH TYR 47 12.856 5.159 5.988 368 HA PRO 48 HA PRO 48 5.722 12.290 2.160 369 1HB PRO 48 1HB PRO 48 7.878 14.259 1.520 370 2HB PRO 48 2HB PRO 48 6.302 14.532 2.271 371 1HG PRO 48 1HG PRO 48 8.551 14.405 3.729 372 2HG PRO 48 2HG PRO 48 7.004 13.793 4.336 373 1HD PRO 48 1HD PRO 48 9.406 12.306 3.496 374 2HD PRO 48 2HD PRO 48 8.055 11.789 4.528 375 H GLN 49 H GLN 49 8.671 11.965 0.308 376 HA GLN 49 HA GLN 49 7.727 12.859 -2.176 377 1HB GLN 49 1HB GLN 49 9.842 10.785 -1.573 378 2HB GLN 49 2HB GLN 49 9.583 11.528 -3.146 379 1HG GLN 49 1HG GLN 49 10.123 13.715 -2.202 380 2HG GLN 49 2HG GLN 49 10.378 12.972 -0.625 381 1HE2 GLN 49 1HE2 GLN 49 11.924 14.150 -3.224 382 2HE2 GLN 49 2HE2 GLN 49 13.392 13.243 -3.150 383 H ALA 50 H ALA 50 7.578 9.709 -0.618 384 HA ALA 50 HA ALA 50 6.288 8.512 -2.934 385 1HB ALA 50 1HB ALA 50 7.458 7.508 -0.399 386 2HB ALA 50 2HB ALA 50 7.640 6.911 -2.049 387 3HB ALA 50 3HB ALA 50 6.172 6.554 -1.140 388 H ASP 51 H ASP 51 4.181 7.731 -2.960 389 HA ASP 51 HA ASP 51 2.365 9.104 -1.149 390 1HB ASP 51 1HB ASP 51 1.804 7.434 -3.608 391 2HB ASP 51 2HB ASP 51 0.601 8.342 -2.698 392 H PHE 52 H PHE 52 0.774 8.070 0.080 393 HA PHE 52 HA PHE 52 1.206 5.189 0.488 394 1HB PHE 52 1HB PHE 52 0.759 7.316 2.591 395 2HB PHE 52 2HB PHE 52 0.691 5.577 2.910 396 HD1 PHE 52 HD1 PHE 52 2.981 8.005 1.232 397 HD2 PHE 52 HD2 PHE 52 2.573 4.639 3.800 398 HE1 PHE 52 HE1 PHE 52 5.419 7.970 1.565 399 HE2 PHE 52 HE2 PHE 52 5.009 4.595 4.138 400 HZ PHE 52 HZ PHE 52 6.437 6.263 3.021 401 H TYR 53 H TYR 53 -0.513 4.420 -0.577 402 HA TYR 53 HA TYR 53 -3.174 5.384 0.234 403 1HB TYR 53 1HB TYR 53 -2.184 4.202 -2.352 404 2HB TYR 53 2HB TYR 53 -3.897 4.240 -1.951 405 HD1 TYR 53 HD1 TYR 53 -4.830 6.600 -1.270 406 HD2 TYR 53 HD2 TYR 53 -1.267 5.983 -3.510 407 HE1 TYR 53 HE1 TYR 53 -4.995 8.886 -2.154 408 HE2 TYR 53 HE2 TYR 53 -1.420 8.272 -4.397 409 HH TYR 53 HH TYR 53 -2.440 10.407 -3.820 410 H LYS 54 H LYS 54 -4.816 3.439 -0.432 411 HA LYS 54 HA LYS 54 -3.783 0.941 0.716 412 1HB LYS 54 1HB LYS 54 -6.432 2.167 1.492 413 2HB LYS 54 2HB LYS 54 -5.733 0.683 2.108 414 1HG LYS 54 1HG LYS 54 -4.149 1.802 3.381 415 2HG LYS 54 2HG LYS 54 -4.341 3.302 2.470 416 1HD LYS 54 1HD LYS 54 -6.333 3.841 3.524 417 2HD LYS 54 2HD LYS 54 -6.658 2.174 3.995 418 1HE LYS 54 1HE LYS 54 -6.029 3.572 5.911 419 2HE LYS 54 2HE LYS 54 -4.878 2.264 5.639 420 1HZ LYS 54 1HZ LYS 54 -4.508 5.126 5.428 421 2HZ LYS 54 2HZ LYS 54 -3.791 4.220 4.193 422 3HZ LYS 54 3HZ LYS 54 -3.393 3.914 5.806 423 H LEU 55 H LEU 55 -5.328 -0.895 0.337 424 HA LEU 55 HA LEU 55 -6.928 -0.496 -2.097 425 1HB LEU 55 1HB LEU 55 -4.637 -1.529 -2.528 426 2HB LEU 55 2HB LEU 55 -5.198 -2.917 -1.617 427 HG LEU 55 HG LEU 55 -5.370 -3.247 -4.053 428 1HD1 LEU 55 1HD1 LEU 55 -6.966 -4.266 -2.334 429 2HD1 LEU 55 2HD1 LEU 55 -7.459 -4.291 -4.028 430 3HD1 LEU 55 3HD1 LEU 55 -8.143 -3.095 -2.928 431 1HD2 LEU 55 1HD2 LEU 55 -7.585 -1.230 -4.074 432 2HD2 LEU 55 2HD2 LEU 55 -6.746 -1.972 -5.435 433 3HD2 LEU 55 3HD2 LEU 55 -5.921 -0.775 -4.437 434 H ASP 56 H ASP 56 -8.967 -1.024 -1.690 435 HA ASP 56 HA ASP 56 -9.737 -2.496 0.617 436 1HB ASP 56 1HB ASP 56 -11.122 -0.699 -0.460 437 2HB ASP 56 2HB ASP 56 -11.447 -1.813 -1.786 438 H VAL 57 H VAL 57 -9.661 -4.617 0.861 439 HA VAL 57 HA VAL 57 -9.236 -6.393 -1.328 440 HB VAL 57 HB VAL 57 -9.631 -6.817 1.631 441 1HG1 VAL 57 1HG1 VAL 57 -9.083 -9.216 1.238 442 2HG1 VAL 57 2HG1 VAL 57 -9.305 -8.948 -0.492 443 3HG1 VAL 57 3HG1 VAL 57 -10.666 -8.751 0.612 444 1HG2 VAL 57 1HG2 VAL 57 -7.484 -5.931 0.707 445 2HG2 VAL 57 2HG2 VAL 57 -7.303 -7.439 -0.190 446 3HG2 VAL 57 3HG2 VAL 57 -7.323 -7.458 1.574 447 H ASP 58 H ASP 58 -12.048 -5.000 -0.149 448 HA ASP 58 HA ASP 58 -13.711 -7.284 -0.940 449 1HB ASP 58 1HB ASP 58 -14.280 -6.295 1.209 450 2HB ASP 58 2HB ASP 58 -14.451 -4.710 0.467 451 H GLU 59 H GLU 59 -13.702 -3.751 -1.368 452 HA GLU 59 HA GLU 59 -15.414 -3.780 -3.610 453 1HB GLU 59 1HB GLU 59 -15.017 -1.816 -2.109 454 2HB GLU 59 2HB GLU 59 -13.427 -1.631 -2.842 455 1HG GLU 59 1HG GLU 59 -14.934 -0.082 -3.863 456 2HG GLU 59 2HG GLU 59 -14.531 -1.334 -5.038 457 H LEU 60 H LEU 60 -11.928 -3.954 -3.250 458 HA LEU 60 HA LEU 60 -11.700 -4.242 -6.175 459 1HB LEU 60 1HB LEU 60 -9.669 -3.122 -4.243 460 2HB LEU 60 2HB LEU 60 -9.357 -3.448 -5.937 461 HG LEU 60 HG LEU 60 -11.106 -1.789 -6.540 462 1HD1 LEU 60 1HD1 LEU 60 -11.426 -0.204 -4.371 463 2HD1 LEU 60 2HD1 LEU 60 -11.454 -1.802 -3.630 464 3HD1 LEU 60 3HD1 LEU 60 -12.596 -1.408 -4.910 465 1HD2 LEU 60 1HD2 LEU 60 -8.548 -1.349 -6.025 466 2HD2 LEU 60 2HD2 LEU 60 -9.232 -0.339 -4.751 467 3HD2 LEU 60 3HD2 LEU 60 -9.652 -0.038 -6.437 468 H GLY 61 H GLY 61 -12.326 -6.403 -4.506 469 1HA GLY 61 1HA GLY 61 -10.174 -7.902 -3.567 470 2HA GLY 61 2HA GLY 61 -11.685 -8.580 -4.152 471 H ASP 62 H ASP 62 -11.084 -7.192 -6.812 472 HA ASP 62 HA ASP 62 -10.014 -9.412 -8.135 473 1HB ASP 62 1HB ASP 62 -10.255 -6.587 -9.080 474 2HB ASP 62 2HB ASP 62 -9.943 -7.966 -10.117 475 H VAL 63 H VAL 63 -8.524 -6.354 -7.155 476 HA VAL 63 HA VAL 63 -6.026 -6.891 -8.400 477 HB VAL 63 HB VAL 63 -6.378 -5.073 -6.023 478 1HG1 VAL 63 1HG1 VAL 63 -4.110 -5.629 -7.108 479 2HG1 VAL 63 2HG1 VAL 63 -4.509 -3.936 -6.820 480 3HG1 VAL 63 3HG1 VAL 63 -4.666 -4.615 -8.439 481 1HG2 VAL 63 1HG2 VAL 63 -6.695 -3.379 -8.075 482 2HG2 VAL 63 2HG2 VAL 63 -8.049 -4.132 -7.232 483 3HG2 VAL 63 3HG2 VAL 63 -7.474 -4.806 -8.757 484 H ALA 64 H ALA 64 -7.184 -7.234 -5.042 485 HA ALA 64 HA ALA 64 -4.826 -8.153 -3.849 486 1HB ALA 64 1HB ALA 64 -7.247 -7.672 -2.890 487 2HB ALA 64 2HB ALA 64 -6.127 -8.757 -2.065 488 3HB ALA 64 3HB ALA 64 -7.412 -9.418 -3.077 489 H GLN 65 H GLN 65 -7.003 -9.690 -6.072 490 HA GLN 65 HA GLN 65 -5.887 -12.334 -5.617 491 1HB GLN 65 1HB GLN 65 -8.291 -12.134 -6.007 492 2HB GLN 65 2HB GLN 65 -7.991 -11.378 -7.565 493 1HG GLN 65 1HG GLN 65 -6.935 -13.434 -8.359 494 2HG GLN 65 2HG GLN 65 -7.246 -14.192 -6.797 495 1HE2 GLN 65 1HE2 GLN 65 -8.916 -15.497 -6.821 496 2HE2 GLN 65 2HE2 GLN 65 -10.347 -15.315 -7.772 497 H LYS 66 H LYS 66 -5.936 -9.847 -8.161 498 HA LYS 66 HA LYS 66 -4.633 -11.276 -10.159 499 1HB LYS 66 1HB LYS 66 -4.226 -9.229 -11.241 500 2HB LYS 66 2HB LYS 66 -5.687 -8.949 -10.307 501 1HG LYS 66 1HG LYS 66 -4.367 -7.813 -8.592 502 2HG LYS 66 2HG LYS 66 -2.906 -8.083 -9.541 503 1HD LYS 66 1HD LYS 66 -5.317 -6.500 -10.430 504 2HD LYS 66 2HD LYS 66 -3.794 -5.817 -9.855 505 1HE LYS 66 1HE LYS 66 -4.155 -7.550 -12.297 506 2HE LYS 66 2HE LYS 66 -3.909 -5.804 -12.295 507 1HZ LYS 66 1HZ LYS 66 -1.983 -7.869 -11.376 508 2HZ LYS 66 2HZ LYS 66 -1.747 -6.203 -11.204 509 3HZ LYS 66 3HZ LYS 66 -1.841 -6.889 -12.748 510 H ASN 67 H ASN 67 -3.216 -9.242 -7.608 511 HA ASN 67 HA ASN 67 -0.535 -9.924 -8.352 512 1HB ASN 67 1HB ASN 67 -1.694 -8.444 -5.984 513 2HB ASN 67 2HB ASN 67 0.029 -8.620 -6.309 514 1HD2 ASN 67 1HD2 ASN 67 -2.454 -6.563 -6.550 515 2HD2 ASN 67 2HD2 ASN 67 -1.936 -5.605 -7.913 516 H GLU 68 H GLU 68 -2.875 -11.684 -6.899 517 HA GLU 68 HA GLU 68 -2.896 -13.590 -5.673 518 1HB GLU 68 1HB GLU 68 0.111 -13.447 -5.953 519 2HB GLU 68 2HB GLU 68 -0.799 -14.846 -5.404 520 1HG GLU 68 1HG GLU 68 -1.894 -14.996 -7.577 521 2HG GLU 68 2HG GLU 68 -0.993 -13.584 -8.130 522 H VAL 69 H VAL 69 -3.008 -11.105 -4.324 523 HA VAL 69 HA VAL 69 -1.481 -11.650 -1.867 524 HB VAL 69 HB VAL 69 -2.857 -9.091 -2.691 525 1HG1 VAL 69 1HG1 VAL 69 -2.724 -9.316 -0.291 526 2HG1 VAL 69 2HG1 VAL 69 -1.562 -8.109 -0.841 527 3HG1 VAL 69 3HG1 VAL 69 -1.009 -9.724 -0.394 528 1HG2 VAL 69 1HG2 VAL 69 -0.927 -8.328 -3.601 529 2HG2 VAL 69 2HG2 VAL 69 -0.657 -10.047 -3.883 530 3HG2 VAL 69 3HG2 VAL 69 0.088 -9.253 -2.496 531 H SER 70 H SER 70 -2.824 -13.144 -0.886 532 HA SER 70 HA SER 70 -5.547 -12.220 -0.245 533 1HB SER 70 1HB SER 70 -6.117 -14.598 0.113 534 2HB SER 70 2HB SER 70 -5.535 -14.301 -1.533 535 HG SER 70 HG SER 70 -3.487 -15.082 -0.847 536 H ALA 71 H ALA 71 -2.887 -11.707 1.130 537 HA ALA 71 HA ALA 71 -3.067 -13.110 3.633 538 1HB ALA 71 1HB ALA 71 -1.003 -11.989 2.414 539 2HB ALA 71 2HB ALA 71 -1.078 -12.130 4.170 540 3HB ALA 71 3HB ALA 71 -1.490 -10.604 3.391 541 H MET 72 H MET 72 -2.477 -10.788 5.334 542 HA MET 72 HA MET 72 -4.613 -8.940 5.196 543 1HB MET 72 1HB MET 72 -5.630 -9.958 7.435 544 2HB MET 72 2HB MET 72 -6.215 -10.403 5.841 545 1HG MET 72 1HG MET 72 -5.946 -12.347 7.273 546 2HG MET 72 2HG MET 72 -4.876 -12.422 5.878 547 1HE MET 72 1HE MET 72 -3.768 -14.372 7.055 548 2HE MET 72 2HE MET 72 -4.445 -14.265 8.681 549 3HE MET 72 3HE MET 72 -2.696 -14.256 8.452 550 HA PRO 73 HA PRO 73 -3.712 -7.394 4.758 551 1HB PRO 73 1HB PRO 73 -2.428 -5.124 4.833 552 2HB PRO 73 2HB PRO 73 -3.706 -5.397 6.035 553 1HG PRO 73 1HG PRO 73 -0.736 -5.709 6.336 554 2HG PRO 73 2HG PRO 73 -1.873 -4.874 7.401 555 1HD PRO 73 1HD PRO 73 -1.000 -7.487 7.744 556 2HD PRO 73 2HD PRO 73 -2.484 -6.803 8.452 557 H THR 74 H THR 74 -1.831 -5.896 3.330 558 HA THR 74 HA THR 74 0.653 -7.358 3.142 559 HB THR 74 HB THR 74 -1.301 -7.357 0.839 560 HG1 THR 74 HG1 THR 74 -1.928 -9.086 1.867 561 1HG2 THR 74 1HG2 THR 74 1.565 -7.725 0.910 562 2HG2 THR 74 2HG2 THR 74 0.480 -7.557 -0.469 563 3HG2 THR 74 3HG2 THR 74 0.730 -9.139 0.272 564 H LEU 75 H LEU 75 2.242 -6.239 1.954 565 HA LEU 75 HA LEU 75 1.488 -3.473 1.289 566 1HB LEU 75 1HB LEU 75 4.192 -4.566 2.050 567 2HB LEU 75 2HB LEU 75 3.813 -2.884 1.735 568 HG LEU 75 HG LEU 75 2.702 -4.530 4.008 569 1HD1 LEU 75 1HD1 LEU 75 5.027 -2.719 3.724 570 2HD1 LEU 75 2HD1 LEU 75 4.817 -4.146 4.736 571 3HD1 LEU 75 3HD1 LEU 75 4.082 -2.613 5.209 572 1HD2 LEU 75 1HD2 LEU 75 1.110 -2.857 3.302 573 2HD2 LEU 75 2HD2 LEU 75 2.366 -1.619 3.296 574 3HD2 LEU 75 3HD2 LEU 75 1.858 -2.352 4.817 575 H LEU 76 H LEU 76 1.523 -2.905 -0.764 576 HA LEU 76 HA LEU 76 3.248 -4.408 -2.619 577 1HB LEU 76 1HB LEU 76 0.536 -3.163 -3.074 578 2HB LEU 76 2HB LEU 76 1.567 -3.727 -4.387 579 HG LEU 76 HG LEU 76 0.220 -5.363 -2.246 580 1HD1 LEU 76 1HD1 LEU 76 -0.530 -4.630 -4.818 581 2HD1 LEU 76 2HD1 LEU 76 -1.237 -5.905 -3.828 582 3HD1 LEU 76 3HD1 LEU 76 0.047 -6.290 -4.974 583 1HD2 LEU 76 1HD2 LEU 76 2.343 -6.352 -2.317 584 2HD2 LEU 76 2HD2 LEU 76 2.500 -6.103 -4.056 585 3HD2 LEU 76 3HD2 LEU 76 1.372 -7.310 -3.434 586 H LEU 77 H LEU 77 4.739 -3.286 -3.708 587 HA LEU 77 HA LEU 77 4.628 -0.349 -3.544 588 1HB LEU 77 1HB LEU 77 7.000 -2.189 -3.849 589 2HB LEU 77 2HB LEU 77 7.091 -0.440 -3.890 590 HG LEU 77 HG LEU 77 6.224 -0.373 -1.561 591 1HD1 LEU 77 1HD1 LEU 77 5.026 -2.290 -1.164 592 2HD1 LEU 77 2HD1 LEU 77 6.552 -2.677 -0.371 593 3HD1 LEU 77 3HD1 LEU 77 6.203 -3.325 -1.973 594 1HD2 LEU 77 1HD2 LEU 77 8.640 -0.316 -2.077 595 2HD2 LEU 77 2HD2 LEU 77 8.695 -2.068 -1.895 596 3HD2 LEU 77 3HD2 LEU 77 8.289 -1.051 -0.513 597 H PHE 78 H PHE 78 4.687 0.868 -5.332 598 HA PHE 78 HA PHE 78 5.212 -0.420 -7.925 599 1HB PHE 78 1HB PHE 78 2.879 1.421 -7.352 600 2HB PHE 78 2HB PHE 78 3.247 0.641 -8.885 601 HD1 PHE 78 HD1 PHE 78 3.334 -1.969 -8.834 602 HD2 PHE 78 HD2 PHE 78 1.404 0.426 -5.893 603 HE1 PHE 78 HE1 PHE 78 1.973 -3.905 -8.155 604 HE2 PHE 78 HE2 PHE 78 0.041 -1.507 -5.211 605 HZ PHE 78 HZ PHE 78 0.318 -3.671 -6.340 606 H LYS 79 H LYS 79 6.672 0.738 -9.080 607 HA LYS 79 HA LYS 79 6.950 3.605 -8.420 608 1HB LYS 79 1HB LYS 79 8.980 1.558 -9.263 609 2HB LYS 79 2HB LYS 79 9.281 3.273 -9.500 610 1HG LYS 79 1HG LYS 79 9.033 3.655 -7.101 611 2HG LYS 79 2HG LYS 79 8.721 1.939 -6.853 612 1HD LYS 79 1HD LYS 79 11.036 2.477 -6.335 613 2HD LYS 79 2HD LYS 79 10.945 1.413 -7.738 614 1HE LYS 79 1HE LYS 79 12.578 3.201 -8.076 615 2HE LYS 79 2HE LYS 79 11.245 3.318 -9.222 616 1HZ LYS 79 1HZ LYS 79 10.595 5.275 -8.385 617 2HZ LYS 79 2HZ LYS 79 12.154 5.356 -7.736 618 3HZ LYS 79 3HZ LYS 79 10.869 4.815 -6.780 619 H ASN 80 H ASN 80 6.508 5.069 -9.944 620 HA ASN 80 HA ASN 80 5.806 5.944 -11.928 621 1HB ASN 80 1HB ASN 80 7.992 4.130 -12.969 622 2HB ASN 80 2HB ASN 80 7.276 5.473 -13.857 623 1HD2 ASN 80 1HD2 ASN 80 8.469 7.219 -13.849 624 2HD2 ASN 80 2HD2 ASN 80 9.518 7.740 -12.579 625 H GLY 81 H GLY 81 3.838 4.478 -11.422 626 1HA GLY 81 1HA GLY 81 2.162 3.105 -12.155 627 2HA GLY 81 2HA GLY 81 2.674 3.624 -13.756 628 H LYS 82 H LYS 82 4.852 1.845 -11.730 629 HA LYS 82 HA LYS 82 4.307 -0.610 -13.255 630 1HB LYS 82 1HB LYS 82 7.030 0.562 -12.647 631 2HB LYS 82 2HB LYS 82 6.755 -1.017 -13.363 632 1HG LYS 82 1HG LYS 82 5.735 0.004 -15.306 633 2HG LYS 82 2HG LYS 82 5.940 1.601 -14.592 634 1HD LYS 82 1HD LYS 82 8.371 1.286 -14.595 635 2HD LYS 82 2HD LYS 82 8.158 -0.308 -15.322 636 1HE LYS 82 1HE LYS 82 8.746 1.347 -17.010 637 2HE LYS 82 2HE LYS 82 7.122 0.721 -17.280 638 1HZ LYS 82 1HZ LYS 82 7.711 3.308 -17.279 639 2HZ LYS 82 2HZ LYS 82 7.309 3.116 -15.648 640 3HZ LYS 82 3HZ LYS 82 6.189 2.709 -16.847 641 H GLU 83 H GLU 83 6.435 -2.043 -11.947 642 HA GLU 83 HA GLU 83 5.238 -2.297 -9.276 643 1HB GLU 83 1HB GLU 83 4.989 -4.247 -10.773 644 2HB GLU 83 2HB GLU 83 6.732 -4.328 -10.957 645 1HG GLU 83 1HG GLU 83 7.016 -4.959 -8.678 646 2HG GLU 83 2HG GLU 83 5.313 -4.661 -8.327 647 H VAL 84 H VAL 84 6.935 -3.361 -7.689 648 HA VAL 84 HA VAL 84 9.639 -2.405 -8.100 649 HB VAL 84 HB VAL 84 8.425 -1.582 -5.566 650 1HG1 VAL 84 1HG1 VAL 84 10.791 -1.390 -5.763 651 2HG1 VAL 84 2HG1 VAL 84 10.102 0.234 -5.781 652 3HG1 VAL 84 3HG1 VAL 84 10.633 -0.513 -7.287 653 1HG2 VAL 84 1HG2 VAL 84 7.604 0.479 -6.359 654 2HG2 VAL 84 2HG2 VAL 84 6.931 -0.756 -7.416 655 3HG2 VAL 84 3HG2 VAL 84 8.298 0.214 -7.958 656 H ALA 85 H ALA 85 7.441 -3.589 -5.584 657 HA ALA 85 HA ALA 85 8.816 -6.052 -5.278 658 1HB ALA 85 1HB ALA 85 10.165 -4.025 -4.066 659 2HB ALA 85 2HB ALA 85 10.233 -5.716 -3.567 660 3HB ALA 85 3HB ALA 85 9.140 -4.598 -2.750 661 H LYS 86 H LYS 86 8.203 -6.616 -2.616 662 HA LYS 86 HA LYS 86 5.535 -5.850 -1.976 663 1HB LYS 86 1HB LYS 86 4.413 -7.950 -2.335 664 2HB LYS 86 2HB LYS 86 5.094 -7.393 -3.855 665 1HG LYS 86 1HG LYS 86 6.349 -9.457 -2.069 666 2HG LYS 86 2HG LYS 86 5.358 -9.812 -3.482 667 1HD LYS 86 1HD LYS 86 6.989 -8.528 -4.863 668 2HD LYS 86 2HD LYS 86 8.008 -8.375 -3.431 669 1HE LYS 86 1HE LYS 86 8.163 -10.810 -3.279 670 2HE LYS 86 2HE LYS 86 7.144 -10.965 -4.709 671 1HZ LYS 86 1HZ LYS 86 9.950 -10.238 -4.499 672 2HZ LYS 86 2HZ LYS 86 9.052 -9.374 -5.644 673 3HZ LYS 86 3HZ LYS 86 9.131 -11.060 -5.731 674 H VAL 87 H VAL 87 5.342 -5.954 0.148 675 HA VAL 87 HA VAL 87 6.845 -8.016 1.610 676 HB VAL 87 HB VAL 87 6.627 -5.122 2.458 677 1HG1 VAL 87 1HG1 VAL 87 7.497 -7.589 3.813 678 2HG1 VAL 87 2HG1 VAL 87 6.866 -6.085 4.483 679 3HG1 VAL 87 3HG1 VAL 87 8.560 -6.195 4.004 680 1HG2 VAL 87 1HG2 VAL 87 8.865 -4.815 1.859 681 2HG2 VAL 87 2HG2 VAL 87 8.179 -5.708 0.502 682 3HG2 VAL 87 3HG2 VAL 87 9.157 -6.547 1.706 683 H VAL 88 H VAL 88 4.780 -9.102 1.655 684 HA VAL 88 HA VAL 88 2.514 -7.928 2.926 685 HB VAL 88 HB VAL 88 2.223 -9.746 1.329 686 1HG1 VAL 88 1HG1 VAL 88 4.410 -10.883 2.475 687 2HG1 VAL 88 2HG1 VAL 88 3.292 -11.721 1.399 688 3HG1 VAL 88 3HG1 VAL 88 3.115 -11.871 3.148 689 1HG2 VAL 88 1HG2 VAL 88 1.353 -11.068 3.830 690 2HG2 VAL 88 2HG2 VAL 88 0.445 -10.666 2.375 691 3HG2 VAL 88 3HG2 VAL 88 0.802 -9.413 3.562 692 H GLY 89 H GLY 89 2.893 -7.222 4.988 693 1HA GLY 89 1HA GLY 89 2.612 -8.790 7.168 694 2HA GLY 89 2HA GLY 89 4.341 -8.872 6.874 695 H ALA 90 H ALA 90 4.195 -6.013 5.820 696 HA ALA 90 HA ALA 90 4.739 -3.962 6.675 697 1HB ALA 90 1HB ALA 90 2.246 -4.743 8.107 698 2HB ALA 90 2HB ALA 90 2.517 -3.454 6.934 699 3HB ALA 90 3HB ALA 90 3.087 -3.271 8.593 700 H ASN 91 H ASN 91 6.333 -6.038 7.672 701 HA ASN 91 HA ASN 91 6.600 -6.134 10.436 702 1HB ASN 91 1HB ASN 91 8.699 -6.418 8.280 703 2HB ASN 91 2HB ASN 91 8.891 -6.911 9.951 704 1HD2 ASN 91 1HD2 ASN 91 8.277 -8.025 6.974 705 2HD2 ASN 91 2HD2 ASN 91 7.372 -9.447 7.357 706 HA PRO 92 HA PRO 92 7.910 -2.066 11.639 707 1HB PRO 92 1HB PRO 92 9.685 -3.673 13.438 708 2HB PRO 92 2HB PRO 92 8.668 -2.274 13.818 709 1HG PRO 92 1HG PRO 92 7.836 -4.694 14.465 710 2HG PRO 92 2HG PRO 92 6.703 -3.526 13.756 711 1HD PRO 92 1HD PRO 92 8.029 -5.886 12.490 712 2HD PRO 92 2HD PRO 92 6.390 -5.245 12.246 713 H ALA 93 H ALA 93 10.155 -4.599 10.737 714 HA ALA 93 HA ALA 93 12.185 -2.557 10.119 715 1HB ALA 93 1HB ALA 93 13.612 -4.809 9.986 716 2HB ALA 93 2HB ALA 93 12.373 -5.333 11.127 717 3HB ALA 93 3HB ALA 93 13.365 -3.920 11.490 718 H ALA 94 H ALA 94 9.858 -3.404 8.438 719 HA ALA 94 HA ALA 94 11.425 -4.026 6.052 720 1HB ALA 94 1HB ALA 94 10.025 -5.736 5.293 721 2HB ALA 94 2HB ALA 94 8.748 -5.318 6.434 722 3HB ALA 94 3HB ALA 94 10.228 -6.086 7.009 723 H ILE 95 H ILE 95 8.094 -3.232 7.066 724 HA ILE 95 HA ILE 95 7.329 -1.965 4.717 725 HB ILE 95 HB ILE 95 5.687 -2.472 6.370 726 1HG1 ILE 95 1HG1 ILE 95 4.442 -0.412 6.532 727 2HG1 ILE 95 2HG1 ILE 95 5.901 0.541 6.285 728 1HG2 ILE 95 1HG2 ILE 95 7.496 -0.971 8.149 729 2HG2 ILE 95 2HG2 ILE 95 6.526 -2.410 8.463 730 3HG2 ILE 95 3HG2 ILE 95 5.769 -0.817 8.469 731 1HD1 ILE 95 1HD1 ILE 95 5.879 -0.976 4.041 732 2HD1 ILE 95 2HD1 ILE 95 5.181 0.636 4.172 733 3HD1 ILE 95 3HD1 ILE 95 4.154 -0.786 4.349 734 H LYS 96 H LYS 96 9.751 -1.031 6.882 735 HA LYS 96 HA LYS 96 9.518 1.818 6.285 736 1HB LYS 96 1HB LYS 96 11.523 0.312 7.979 737 2HB LYS 96 2HB LYS 96 11.449 2.060 7.809 738 1HG LYS 96 1HG LYS 96 9.236 2.076 8.829 739 2HG LYS 96 2HG LYS 96 9.291 0.319 8.984 740 1HD LYS 96 1HD LYS 96 11.245 0.508 10.443 741 2HD LYS 96 2HD LYS 96 11.199 2.265 10.281 742 1HE LYS 96 1HE LYS 96 8.984 2.303 11.315 743 2HE LYS 96 2HE LYS 96 9.022 0.547 11.469 744 1HZ LYS 96 1HZ LYS 96 9.698 2.034 13.462 745 2HZ LYS 96 2HZ LYS 96 11.181 2.149 12.658 746 3HZ LYS 96 3HZ LYS 96 10.588 0.636 13.125 747 H GLN 97 H GLN 97 12.066 -0.662 6.091 748 HA GLN 97 HA GLN 97 13.759 0.828 4.415 749 1HB GLN 97 1HB GLN 97 13.579 -2.170 4.765 750 2HB GLN 97 2HB GLN 97 14.919 -1.313 4.017 751 1HG GLN 97 1HG GLN 97 15.365 -0.168 6.130 752 2HG GLN 97 2HG GLN 97 14.029 -1.040 6.879 753 1HE2 GLN 97 1HE2 GLN 97 14.669 -2.666 8.080 754 2HE2 GLN 97 2HE2 GLN 97 16.044 -3.672 7.794 755 H ALA 98 H ALA 98 11.102 -1.355 3.732 756 HA ALA 98 HA ALA 98 11.576 -1.842 1.021 757 1HB ALA 98 1HB ALA 98 9.717 -2.706 2.692 758 2HB ALA 98 2HB ALA 98 9.472 -2.723 0.946 759 3HB ALA 98 3HB ALA 98 8.773 -1.431 1.921 760 H ILE 99 H ILE 99 10.299 0.951 2.658 761 HA ILE 99 HA ILE 99 9.504 2.251 0.190 762 HB ILE 99 HB ILE 99 9.335 3.051 3.093 763 1HG1 ILE 99 1HG1 ILE 99 6.915 2.912 2.678 764 2HG1 ILE 99 2HG1 ILE 99 7.227 2.471 1.005 765 1HG2 ILE 99 1HG2 ILE 99 8.589 4.656 0.650 766 2HG2 ILE 99 2HG2 ILE 99 9.741 5.091 1.912 767 3HG2 ILE 99 3HG2 ILE 99 8.019 5.018 2.280 768 1HD1 ILE 99 1HD1 ILE 99 7.731 0.341 1.521 769 2HD1 ILE 99 2HD1 ILE 99 6.714 0.695 2.917 770 3HD1 ILE 99 3HD1 ILE 99 8.467 0.770 3.063 771 H ALA 100 H ALA 100 12.344 1.897 1.935 772 HA ALA 100 HA ALA 100 13.381 4.553 1.392 773 1HB ALA 100 1HB ALA 100 14.282 3.911 3.375 774 2HB ALA 100 2HB ALA 100 15.531 3.279 2.303 775 3HB ALA 100 3HB ALA 100 14.291 2.201 2.945 776 H ALA 101 H ALA 101 14.801 1.342 0.791 777 HA ALA 101 HA ALA 101 16.509 2.120 -1.245 778 1HB ALA 101 1HB ALA 101 17.038 -0.076 -1.446 779 2HB ALA 101 2HB ALA 101 15.352 -0.597 -1.443 780 3HB ALA 101 3HB ALA 101 16.148 -0.171 0.073 781 H ASN 102 H ASN 102 13.098 1.363 -1.376 782 HA ASN 102 HA ASN 102 12.984 1.120 -4.222 783 1HB ASN 102 1HB ASN 102 10.877 1.450 -2.082 784 2HB ASN 102 2HB ASN 102 10.513 1.223 -3.795 785 1HD2 ASN 102 1HD2 ASN 102 9.719 -0.759 -3.963 786 2HD2 ASN 102 2HD2 ASN 102 10.452 -2.193 -3.343 787 H ALA 103 H ALA 103 11.974 3.602 -1.873 788 HA ALA 103 HA ALA 103 11.644 5.504 -4.082 789 1HB ALA 103 1HB ALA 103 10.829 5.811 -1.196 790 2HB ALA 103 2HB ALA 103 9.776 5.239 -2.488 791 3HB ALA 103 3HB ALA 103 10.411 6.883 -2.532 Start of MODEL 11 1 1H MET 1 1H MET 1 0.531 12.020 4.416 2 2H MET 1 2H MET 1 0.024 13.426 3.571 3 3H MET 1 3H MET 1 0.425 11.998 2.705 4 HA MET 1 HA MET 1 -1.738 12.108 4.683 5 1HB MET 1 1HB MET 1 -3.257 12.437 2.772 6 2HB MET 1 2HB MET 1 -2.161 13.795 2.971 7 1HG MET 1 1HG MET 1 -0.760 12.932 1.167 8 2HG MET 1 2HG MET 1 -1.862 11.571 0.968 9 1HE MET 1 1HE MET 1 -4.886 13.405 1.234 10 2HE MET 1 2HE MET 1 -4.315 11.841 0.653 11 3HE MET 1 3HE MET 1 -5.018 12.998 -0.477 12 H VAL 2 H VAL 2 -3.423 10.449 3.949 13 HA VAL 2 HA VAL 2 -2.369 8.196 2.465 14 HB VAL 2 HB VAL 2 -1.473 7.848 4.748 15 1HG1 VAL 2 1HG1 VAL 2 -4.385 7.886 5.502 16 2HG1 VAL 2 2HG1 VAL 2 -3.078 8.886 6.139 17 3HG1 VAL 2 3HG1 VAL 2 -3.137 7.165 6.516 18 1HG2 VAL 2 1HG2 VAL 2 -1.660 5.841 3.668 19 2HG2 VAL 2 2HG2 VAL 2 -3.410 5.964 3.500 20 3HG2 VAL 2 3HG2 VAL 2 -2.701 5.548 5.060 21 H THR 3 H THR 3 -3.972 6.976 1.549 22 HA THR 3 HA THR 3 -6.690 7.168 2.566 23 HB THR 3 HB THR 3 -5.951 8.085 -0.218 24 HG1 THR 3 HG1 THR 3 -5.614 9.705 1.272 25 1HG2 THR 3 1HG2 THR 3 -8.393 8.761 -0.282 26 2HG2 THR 3 2HG2 THR 3 -8.624 7.635 1.055 27 3HG2 THR 3 3HG2 THR 3 -8.025 7.049 -0.496 28 H GLN 4 H GLN 4 -8.191 5.727 1.439 29 HA GLN 4 HA GLN 4 -6.850 3.249 0.629 30 1HB GLN 4 1HB GLN 4 -9.786 3.702 1.175 31 2HB GLN 4 2HB GLN 4 -8.943 2.163 1.101 32 1HG GLN 4 1HG GLN 4 -7.741 2.676 3.123 33 2HG GLN 4 2HG GLN 4 -8.468 4.280 3.185 34 1HE2 GLN 4 1HE2 GLN 4 -10.027 4.433 4.611 35 2HE2 GLN 4 2HE2 GLN 4 -11.128 3.183 5.066 36 H PHE 5 H PHE 5 -8.382 1.951 -1.007 37 HA PHE 5 HA PHE 5 -9.145 3.795 -3.170 38 1HB PHE 5 1HB PHE 5 -7.633 1.194 -3.413 39 2HB PHE 5 2HB PHE 5 -8.401 2.005 -4.785 40 HD1 PHE 5 HD1 PHE 5 -7.740 4.854 -3.847 41 HD2 PHE 5 HD2 PHE 5 -5.407 1.310 -4.210 42 HE1 PHE 5 HE1 PHE 5 -5.727 6.222 -4.215 43 HE2 PHE 5 HE2 PHE 5 -3.395 2.675 -4.577 44 HZ PHE 5 HZ PHE 5 -3.551 5.130 -4.579 45 H LYS 6 H LYS 6 -11.126 3.569 -3.921 46 HA LYS 6 HA LYS 6 -12.641 1.164 -3.162 47 1HB LYS 6 1HB LYS 6 -13.647 3.926 -3.872 48 2HB LYS 6 2HB LYS 6 -14.657 2.555 -3.431 49 1HG LYS 6 1HG LYS 6 -12.622 3.891 -1.659 50 2HG LYS 6 2HG LYS 6 -14.373 4.084 -1.564 51 1HD LYS 6 1HD LYS 6 -14.608 1.698 -1.069 52 2HD LYS 6 2HD LYS 6 -12.857 1.503 -1.169 53 1HE LYS 6 1HE LYS 6 -13.589 1.668 1.152 54 2HE LYS 6 2HE LYS 6 -12.573 3.040 0.707 55 1HZ LYS 6 1HZ LYS 6 -14.467 4.434 0.541 56 2HZ LYS 6 2HZ LYS 6 -14.603 3.609 2.011 57 3HZ LYS 6 3HZ LYS 6 -15.538 3.132 0.685 58 H THR 7 H THR 7 -11.565 3.122 -5.812 59 HA THR 7 HA THR 7 -12.747 1.187 -7.675 60 HB THR 7 HB THR 7 -13.214 3.023 -9.270 61 HG1 THR 7 HG1 THR 7 -12.350 4.874 -8.863 62 1HG2 THR 7 1HG2 THR 7 -14.592 3.669 -6.687 63 2HG2 THR 7 2HG2 THR 7 -14.962 2.223 -7.628 64 3HG2 THR 7 3HG2 THR 7 -15.208 3.822 -8.333 65 H ALA 8 H ALA 8 -11.315 0.380 -9.079 66 HA ALA 8 HA ALA 8 -8.599 0.785 -8.884 67 1HB ALA 8 1HB ALA 8 -9.145 -1.169 -9.968 68 2HB ALA 8 2HB ALA 8 -8.607 -0.169 -11.317 69 3HB ALA 8 3HB ALA 8 -10.330 -0.384 -11.012 70 H SER 9 H SER 9 -10.917 2.667 -10.637 71 HA SER 9 HA SER 9 -9.200 3.910 -12.481 72 1HB SER 9 1HB SER 9 -11.639 4.082 -12.646 73 2HB SER 9 2HB SER 9 -11.689 5.008 -11.145 74 HG SER 9 HG SER 9 -10.619 6.676 -12.160 75 H GLU 10 H GLU 10 -9.384 4.159 -9.081 76 HA GLU 10 HA GLU 10 -8.198 6.788 -8.986 77 1HB GLU 10 1HB GLU 10 -8.949 4.880 -6.783 78 2HB GLU 10 2HB GLU 10 -8.300 6.493 -6.525 79 1HG GLU 10 1HG GLU 10 -10.883 5.864 -7.935 80 2HG GLU 10 2HG GLU 10 -10.734 6.400 -6.262 81 H PHE 11 H PHE 11 -7.351 3.474 -8.272 82 HA PHE 11 HA PHE 11 -4.711 4.116 -7.388 83 1HB PHE 11 1HB PHE 11 -6.051 2.116 -6.626 84 2HB PHE 11 2HB PHE 11 -5.751 1.404 -8.206 85 HD1 PHE 11 HD1 PHE 11 -4.892 -0.375 -6.441 86 HD2 PHE 11 HD2 PHE 11 -2.929 3.292 -7.350 87 HE1 PHE 11 HE1 PHE 11 -2.772 -1.300 -5.603 88 HE2 PHE 11 HE2 PHE 11 -0.812 2.370 -6.523 89 HZ PHE 11 HZ PHE 11 -0.731 0.075 -5.645 90 H ASP 12 H ASP 12 -6.216 3.285 -10.409 91 HA ASP 12 HA ASP 12 -4.116 2.286 -11.891 92 1HB ASP 12 1HB ASP 12 -6.412 2.445 -12.737 93 2HB ASP 12 2HB ASP 12 -6.270 4.198 -12.820 94 H SER 13 H SER 13 -5.053 5.729 -11.689 95 HA SER 13 HA SER 13 -2.719 6.623 -13.050 96 1HB SER 13 1HB SER 13 -4.786 7.929 -13.086 97 2HB SER 13 2HB SER 13 -4.690 8.159 -11.340 98 HG SER 13 HG SER 13 -3.278 9.391 -13.379 99 H ALA 14 H ALA 14 -3.413 5.868 -9.752 100 HA ALA 14 HA ALA 14 -1.607 7.492 -8.397 101 1HB ALA 14 1HB ALA 14 -1.601 4.938 -7.155 102 2HB ALA 14 2HB ALA 14 -3.215 5.237 -7.797 103 3HB ALA 14 3HB ALA 14 -2.483 6.392 -6.686 104 H ILE 15 H ILE 15 -1.070 4.333 -9.931 105 HA ILE 15 HA ILE 15 1.720 4.313 -9.200 106 HB ILE 15 HB ILE 15 1.873 2.248 -10.501 107 1HG1 ILE 15 1HG1 ILE 15 -1.030 2.802 -11.165 108 2HG1 ILE 15 2HG1 ILE 15 0.312 2.729 -12.302 109 1HG2 ILE 15 1HG2 ILE 15 0.982 2.397 -8.118 110 2HG2 ILE 15 2HG2 ILE 15 0.667 0.908 -9.009 111 3HG2 ILE 15 3HG2 ILE 15 -0.610 2.109 -8.821 112 1HD1 ILE 15 1HD1 ILE 15 0.090 0.540 -12.524 113 2HD1 ILE 15 2HD1 ILE 15 -1.393 0.662 -11.576 114 3HD1 ILE 15 3HD1 ILE 15 0.135 0.295 -10.777 115 H ALA 16 H ALA 16 -0.083 4.619 -12.257 116 HA ALA 16 HA ALA 16 1.953 4.812 -14.049 117 1HB ALA 16 1HB ALA 16 -0.706 5.178 -14.201 118 2HB ALA 16 2HB ALA 16 0.411 5.557 -15.512 119 3HB ALA 16 3HB ALA 16 -0.151 6.835 -14.435 120 H GLN 17 H GLN 17 3.818 5.831 -13.629 121 HA GLN 17 HA GLN 17 5.310 7.473 -13.081 122 1HB GLN 17 1HB GLN 17 3.313 9.086 -14.679 123 2HB GLN 17 2HB GLN 17 4.970 9.569 -14.339 124 1HG GLN 17 1HG GLN 17 5.793 7.639 -15.586 125 2HG GLN 17 2HG GLN 17 4.129 7.151 -15.927 126 1HE2 GLN 17 1HE2 GLN 17 6.735 8.609 -17.216 127 2HE2 GLN 17 2HE2 GLN 17 5.970 9.623 -18.388 128 H ASP 18 H ASP 18 5.048 7.579 -10.833 129 HA ASP 18 HA ASP 18 4.279 10.103 -9.837 130 1HB ASP 18 1HB ASP 18 2.018 9.173 -10.147 131 2HB ASP 18 2HB ASP 18 2.443 7.814 -9.112 132 H LYS 19 H LYS 19 6.586 8.509 -9.677 133 HA LYS 19 HA LYS 19 8.170 7.865 -8.166 134 1HB LYS 19 1HB LYS 19 6.249 9.203 -6.269 135 2HB LYS 19 2HB LYS 19 7.865 8.692 -5.823 136 1HG LYS 19 1HG LYS 19 8.019 10.991 -6.231 137 2HG LYS 19 2HG LYS 19 8.724 10.203 -7.644 138 1HD LYS 19 1HD LYS 19 7.306 12.051 -8.324 139 2HD LYS 19 2HD LYS 19 6.607 10.526 -8.860 140 1HE LYS 19 1HE LYS 19 5.073 10.562 -6.954 141 2HE LYS 19 2HE LYS 19 5.784 12.081 -6.409 142 1HZ LYS 19 1HZ LYS 19 3.898 11.582 -8.554 143 2HZ LYS 19 2HZ LYS 19 5.120 12.694 -8.917 144 3HZ LYS 19 3HZ LYS 19 4.104 12.957 -7.590 145 H LEU 20 H LEU 20 7.759 6.973 -5.471 146 HA LEU 20 HA LEU 20 6.623 4.353 -6.070 147 1HB LEU 20 1HB LEU 20 8.869 4.306 -5.219 148 2HB LEU 20 2HB LEU 20 8.424 5.337 -3.859 149 HG LEU 20 HG LEU 20 6.953 3.511 -3.021 150 1HD1 LEU 20 1HD1 LEU 20 6.558 1.635 -4.146 151 2HD1 LEU 20 2HD1 LEU 20 8.258 1.425 -4.568 152 3HD1 LEU 20 3HD1 LEU 20 7.229 2.469 -5.548 153 1HD2 LEU 20 1HD2 LEU 20 9.018 1.919 -2.593 154 2HD2 LEU 20 2HD2 LEU 20 8.906 3.512 -1.848 155 3HD2 LEU 20 3HD2 LEU 20 9.901 3.279 -3.284 156 H VAL 21 H VAL 21 4.624 3.976 -5.477 157 HA VAL 21 HA VAL 21 3.459 5.472 -3.245 158 HB VAL 21 HB VAL 21 2.057 3.742 -5.290 159 1HG1 VAL 21 1HG1 VAL 21 0.777 5.841 -3.585 160 2HG1 VAL 21 2HG1 VAL 21 1.025 4.210 -2.965 161 3HG1 VAL 21 3HG1 VAL 21 0.039 4.466 -4.405 162 1HG2 VAL 21 1HG2 VAL 21 3.238 6.229 -5.695 163 2HG2 VAL 21 2HG2 VAL 21 1.527 6.582 -5.455 164 3HG2 VAL 21 3HG2 VAL 21 2.025 5.455 -6.715 165 H VAL 22 H VAL 22 2.826 4.507 -1.399 166 HA VAL 22 HA VAL 22 3.425 1.651 -1.114 167 HB VAL 22 HB VAL 22 2.908 3.690 1.055 168 1HG1 VAL 22 1HG1 VAL 22 3.200 2.066 2.577 169 2HG1 VAL 22 2HG1 VAL 22 4.468 1.276 1.639 170 3HG1 VAL 22 3HG1 VAL 22 2.772 0.984 1.252 171 1HG2 VAL 22 1HG2 VAL 22 5.250 3.911 1.333 172 2HG2 VAL 22 2HG2 VAL 22 4.932 4.119 -0.388 173 3HG2 VAL 22 3HG2 VAL 22 5.577 2.592 0.210 174 H VAL 23 H VAL 23 1.493 0.911 -2.115 175 HA VAL 23 HA VAL 23 -1.002 1.491 -0.691 176 HB VAL 23 HB VAL 23 -0.636 0.004 -3.293 177 1HG1 VAL 23 1HG1 VAL 23 -3.112 1.206 -2.057 178 2HG1 VAL 23 2HG1 VAL 23 -2.706 -0.511 -2.052 179 3HG1 VAL 23 3HG1 VAL 23 -3.018 0.319 -3.578 180 1HG2 VAL 23 1HG2 VAL 23 -0.254 2.721 -2.817 181 2HG2 VAL 23 2HG2 VAL 23 -1.874 2.604 -3.496 182 3HG2 VAL 23 3HG2 VAL 23 -0.500 1.941 -4.378 183 H ASP 24 H ASP 24 -1.679 0.105 0.805 184 HA ASP 24 HA ASP 24 -0.598 -2.597 0.833 185 1HB ASP 24 1HB ASP 24 -2.186 -1.135 2.949 186 2HB ASP 24 2HB ASP 24 -1.274 -2.623 3.138 187 H PHE 25 H PHE 25 -1.866 -4.396 0.654 188 HA PHE 25 HA PHE 25 -4.647 -3.987 -0.117 189 1HB PHE 25 1HB PHE 25 -2.657 -6.215 -0.519 190 2HB PHE 25 2HB PHE 25 -4.374 -6.424 -0.859 191 HD1 PHE 25 HD1 PHE 25 -1.886 -3.715 -1.584 192 HD2 PHE 25 HD2 PHE 25 -4.801 -6.431 -3.059 193 HE1 PHE 25 HE1 PHE 25 -1.519 -2.857 -3.862 194 HE2 PHE 25 HE2 PHE 25 -4.461 -5.574 -5.329 195 HZ PHE 25 HZ PHE 25 -2.822 -3.779 -5.741 196 H TYR 26 H TYR 26 -4.476 -3.634 2.507 197 HA TYR 26 HA TYR 26 -4.451 -5.806 4.207 198 1HB TYR 26 1HB TYR 26 -6.065 -4.406 5.627 199 2HB TYR 26 2HB TYR 26 -4.499 -3.703 5.242 200 HD1 TYR 26 HD1 TYR 26 -7.835 -3.866 3.529 201 HD2 TYR 26 HD2 TYR 26 -4.607 -1.441 4.867 202 HE1 TYR 26 HE1 TYR 26 -8.948 -1.886 2.599 203 HE2 TYR 26 HE2 TYR 26 -5.716 0.544 3.962 204 HH TYR 26 HH TYR 26 -7.606 0.807 1.879 205 H ALA 27 H ALA 27 -5.840 -7.359 4.832 206 HA ALA 27 HA ALA 27 -7.898 -8.120 3.053 207 1HB ALA 27 1HB ALA 27 -6.799 -9.854 4.216 208 2HB ALA 27 2HB ALA 27 -8.437 -9.806 4.870 209 3HB ALA 27 3HB ALA 27 -7.104 -9.100 5.783 210 H THR 28 H THR 28 -10.048 -7.785 3.087 211 HA THR 28 HA THR 28 -11.139 -5.637 4.475 212 HB THR 28 HB THR 28 -12.175 -6.375 2.460 213 HG1 THR 28 HG1 THR 28 -14.365 -6.728 3.249 214 1HG2 THR 28 1HG2 THR 28 -12.799 -8.967 3.858 215 2HG2 THR 28 2HG2 THR 28 -11.677 -8.745 2.516 216 3HG2 THR 28 3HG2 THR 28 -13.403 -8.481 2.274 217 H TRP 29 H TRP 29 -10.550 -8.823 5.533 218 HA TRP 29 HA TRP 29 -12.372 -8.501 7.810 219 1HB TRP 29 1HB TRP 29 -11.980 -11.022 8.080 220 2HB TRP 29 2HB TRP 29 -12.923 -10.507 6.676 221 HD1 TRP 29 HD1 TRP 29 -11.424 -10.328 4.304 222 HE1 TRP 29 HE1 TRP 29 -9.592 -11.919 3.453 223 HE3 TRP 29 HE3 TRP 29 -10.214 -12.625 8.716 224 HZ2 TRP 29 HZ2 TRP 29 -7.860 -13.871 4.503 225 HZ3 TRP 29 HZ3 TRP 29 -8.454 -14.325 8.709 226 HH2 TRP 29 HH2 TRP 29 -7.299 -14.946 6.642 227 H CYS 30 H CYS 30 -10.345 -10.897 8.664 228 HA CYS 30 HA CYS 30 -8.661 -11.161 10.126 229 1HB CYS 30 1HB CYS 30 -7.260 -10.237 8.393 230 2HB CYS 30 2HB CYS 30 -7.748 -8.602 8.823 231 HG CYS 30 HG CYS 30 -5.875 -8.549 10.396 232 H GLY 31 H GLY 31 -8.622 -7.605 10.241 233 1HA GLY 31 1HA GLY 31 -10.231 -6.741 12.091 234 2HA GLY 31 2HA GLY 31 -9.253 -7.790 13.104 235 HA PRO 32 HA PRO 32 -6.332 -4.610 13.904 236 1HB PRO 32 1HB PRO 32 -3.914 -5.832 13.382 237 2HB PRO 32 2HB PRO 32 -4.840 -6.028 14.872 238 1HG PRO 32 1HG PRO 32 -4.708 -7.810 12.474 239 2HG PRO 32 2HG PRO 32 -4.739 -8.243 14.195 240 1HD PRO 32 1HD PRO 32 -6.930 -8.447 12.665 241 2HD PRO 32 2HD PRO 32 -7.032 -7.929 14.361 242 H CYS 33 H CYS 33 -6.300 -6.114 10.782 243 HA CYS 33 HA CYS 33 -4.345 -4.701 9.435 244 1HB CYS 33 1HB CYS 33 -7.039 -5.680 8.485 245 2HB CYS 33 2HB CYS 33 -5.815 -5.004 7.402 246 HG CYS 33 HG CYS 33 -4.286 -7.074 8.419 247 H LYS 34 H LYS 34 -7.417 -3.571 10.607 248 HA LYS 34 HA LYS 34 -7.481 -1.223 8.945 249 1HB LYS 34 1HB LYS 34 -9.561 -2.221 9.740 250 2HB LYS 34 2HB LYS 34 -9.078 -1.948 11.408 251 1HG LYS 34 1HG LYS 34 -10.697 -0.293 10.688 252 2HG LYS 34 2HG LYS 34 -9.142 0.463 11.037 253 1HD LYS 34 1HD LYS 34 -8.624 0.502 8.646 254 2HD LYS 34 2HD LYS 34 -10.176 -0.263 8.295 255 1HE LYS 34 1HE LYS 34 -9.775 2.430 9.595 256 2HE LYS 34 2HE LYS 34 -10.270 2.150 7.926 257 1HZ LYS 34 1HZ LYS 34 -11.793 1.655 10.406 258 2HZ LYS 34 2HZ LYS 34 -12.195 0.859 8.969 259 3HZ LYS 34 3HZ LYS 34 -12.248 2.548 9.042 260 H MET 35 H MET 35 -6.120 -2.062 12.018 261 HA MET 35 HA MET 35 -5.892 0.600 13.032 262 1HB MET 35 1HB MET 35 -4.316 -1.879 13.751 263 2HB MET 35 2HB MET 35 -4.370 -0.388 14.682 264 1HG MET 35 1HG MET 35 -6.710 -2.195 14.126 265 2HG MET 35 2HG MET 35 -5.799 -2.121 15.630 266 1HE MET 35 1HE MET 35 -5.421 -0.000 16.911 267 2HE MET 35 2HE MET 35 -6.652 1.239 17.152 268 3HE MET 35 3HE MET 35 -5.514 1.376 15.811 269 H ILE 36 H ILE 36 -4.472 -0.799 10.424 270 HA ILE 36 HA ILE 36 -1.814 0.292 10.741 271 HB ILE 36 HB ILE 36 -3.170 -1.124 8.452 272 1HG1 ILE 36 1HG1 ILE 36 -1.039 -1.952 10.430 273 2HG1 ILE 36 2HG1 ILE 36 -2.689 -2.558 10.344 274 1HG2 ILE 36 1HG2 ILE 36 -0.633 0.348 8.569 275 2HG2 ILE 36 2HG2 ILE 36 -1.664 -0.045 7.194 276 3HG2 ILE 36 3HG2 ILE 36 -0.553 -1.254 7.836 277 1HD1 ILE 36 1HD1 ILE 36 -0.362 -3.140 8.587 278 2HD1 ILE 36 2HD1 ILE 36 -1.999 -3.279 7.945 279 3HD1 ILE 36 3HD1 ILE 36 -1.515 -4.244 9.340 280 H ALA 37 H ALA 37 -4.839 1.300 9.399 281 HA ALA 37 HA ALA 37 -4.088 3.048 7.398 282 1HB ALA 37 1HB ALA 37 -6.435 2.401 8.354 283 2HB ALA 37 2HB ALA 37 -6.198 3.947 7.539 284 3HB ALA 37 3HB ALA 37 -6.231 3.875 9.301 285 HA PRO 38 HA PRO 38 -3.345 6.496 10.675 286 1HB PRO 38 1HB PRO 38 -2.787 5.721 13.220 287 2HB PRO 38 2HB PRO 38 -4.425 6.093 12.662 288 1HG PRO 38 1HG PRO 38 -3.123 3.451 13.103 289 2HG PRO 38 2HG PRO 38 -4.802 3.940 13.386 290 1HD PRO 38 1HD PRO 38 -3.940 2.496 11.215 291 2HD PRO 38 2HD PRO 38 -5.413 3.469 11.235 292 H MET 39 H MET 39 -1.700 3.412 11.150 293 HA MET 39 HA MET 39 0.852 4.491 11.759 294 1HB MET 39 1HB MET 39 0.280 2.155 12.238 295 2HB MET 39 2HB MET 39 0.110 1.823 10.528 296 1HG MET 39 1HG MET 39 2.464 2.303 10.228 297 2HG MET 39 2HG MET 39 2.635 2.625 11.944 298 1HE MET 39 1HE MET 39 4.484 0.633 10.396 299 2HE MET 39 2HE MET 39 4.514 -0.796 11.432 300 3HE MET 39 3HE MET 39 4.632 0.813 12.144 301 H ILE 40 H ILE 40 -0.565 3.202 8.766 302 HA ILE 40 HA ILE 40 1.489 3.639 6.989 303 HB ILE 40 HB ILE 40 -1.495 3.940 6.582 304 1HG1 ILE 40 1HG1 ILE 40 0.420 1.714 5.861 305 2HG1 ILE 40 2HG1 ILE 40 -0.683 1.711 7.230 306 1HG2 ILE 40 1HG2 ILE 40 -0.276 5.213 4.858 307 2HG2 ILE 40 2HG2 ILE 40 -1.094 3.802 4.185 308 3HG2 ILE 40 3HG2 ILE 40 0.648 3.765 4.457 309 1HD1 ILE 40 1HD1 ILE 40 -1.407 0.434 5.172 310 2HD1 ILE 40 2HD1 ILE 40 -1.645 2.005 4.408 311 3HD1 ILE 40 3HD1 ILE 40 -2.572 1.572 5.845 312 H GLU 41 H GLU 41 -0.629 5.946 8.498 313 HA GLU 41 HA GLU 41 0.008 8.137 6.764 314 1HB GLU 41 1HB GLU 41 -2.115 8.070 7.947 315 2HB GLU 41 2HB GLU 41 -1.283 8.043 9.496 316 1HG GLU 41 1HG GLU 41 -0.406 10.284 9.057 317 2HG GLU 41 2HG GLU 41 -1.244 10.305 7.506 318 H LYS 42 H LYS 42 1.232 6.860 9.780 319 HA LYS 42 HA LYS 42 2.761 9.106 10.552 320 1HB LYS 42 1HB LYS 42 3.058 6.176 11.230 321 2HB LYS 42 2HB LYS 42 3.975 7.465 12.001 322 1HG LYS 42 1HG LYS 42 1.894 8.448 12.813 323 2HG LYS 42 2HG LYS 42 0.987 7.139 12.049 324 1HD LYS 42 1HD LYS 42 2.152 5.509 13.446 325 2HD LYS 42 2HD LYS 42 3.077 6.812 14.203 326 1HE LYS 42 1HE LYS 42 1.002 7.792 15.032 327 2HE LYS 42 2HE LYS 42 0.085 6.488 14.282 328 1HZ LYS 42 1HZ LYS 42 1.705 5.037 15.727 329 2HZ LYS 42 2HZ LYS 42 0.287 5.682 16.387 330 3HZ LYS 42 3HZ LYS 42 1.773 6.439 16.672 331 H PHE 43 H PHE 43 3.264 6.732 8.118 332 HA PHE 43 HA PHE 43 6.133 7.171 8.041 333 1HB PHE 43 1HB PHE 43 4.320 5.425 6.379 334 2HB PHE 43 2HB PHE 43 6.057 5.562 6.112 335 HD1 PHE 43 HD1 PHE 43 3.799 5.052 9.044 336 HD2 PHE 43 HD2 PHE 43 7.276 3.812 6.926 337 HE1 PHE 43 HE1 PHE 43 4.190 3.297 10.722 338 HE2 PHE 43 HE2 PHE 43 7.673 2.052 8.601 339 HZ PHE 43 HZ PHE 43 6.128 1.793 10.502 340 H SER 44 H SER 44 3.280 8.253 6.418 341 HA SER 44 HA SER 44 4.381 9.144 4.021 342 1HB SER 44 1HB SER 44 2.082 10.275 5.635 343 2HB SER 44 2HB SER 44 2.420 10.636 3.941 344 HG SER 44 HG SER 44 1.952 8.027 4.934 345 H GLU 45 H GLU 45 4.879 10.267 7.207 346 HA GLU 45 HA GLU 45 5.571 12.972 6.420 347 1HB GLU 45 1HB GLU 45 5.861 11.553 9.075 348 2HB GLU 45 2HB GLU 45 6.158 13.263 8.802 349 1HG GLU 45 1HG GLU 45 3.815 13.571 8.181 350 2HG GLU 45 2HG GLU 45 3.519 11.855 8.457 351 H GLN 46 H GLN 46 7.108 9.924 6.737 352 HA GLN 46 HA GLN 46 9.776 11.051 6.992 353 1HB GLN 46 1HB GLN 46 8.937 8.173 6.647 354 2HB GLN 46 2HB GLN 46 10.529 8.751 7.123 355 1HG GLN 46 1HG GLN 46 8.014 9.202 8.694 356 2HG GLN 46 2HG GLN 46 9.163 7.899 8.998 357 1HE2 GLN 46 1HE2 GLN 46 8.214 10.812 10.045 358 2HE2 GLN 46 2HE2 GLN 46 9.705 11.398 10.734 359 H TYR 47 H TYR 47 7.762 9.431 4.579 360 HA TYR 47 HA TYR 47 9.841 10.048 2.584 361 1HB TYR 47 1HB TYR 47 7.917 7.717 2.569 362 2HB TYR 47 2HB TYR 47 9.098 8.080 1.314 363 HD1 TYR 47 HD1 TYR 47 11.591 8.210 2.114 364 HD2 TYR 47 HD2 TYR 47 8.486 6.263 4.271 365 HE1 TYR 47 HE1 TYR 47 13.273 6.879 3.319 366 HE2 TYR 47 HE2 TYR 47 10.158 4.917 5.478 367 HH TYR 47 HH TYR 47 12.448 4.165 5.222 368 HA PRO 48 HA PRO 48 5.452 12.197 2.086 369 1HB PRO 48 1HB PRO 48 7.569 14.235 1.528 370 2HB PRO 48 2HB PRO 48 5.957 14.458 2.216 371 1HG PRO 48 1HG PRO 48 8.185 14.350 3.745 372 2HG PRO 48 2HG PRO 48 6.607 13.776 4.308 373 1HD PRO 48 1HD PRO 48 9.013 12.235 3.679 374 2HD PRO 48 2HD PRO 48 7.538 11.720 4.519 375 H GLN 49 H GLN 49 8.457 12.080 0.270 376 HA GLN 49 HA GLN 49 7.521 12.948 -2.213 377 1HB GLN 49 1HB GLN 49 9.659 10.884 -1.644 378 2HB GLN 49 2HB GLN 49 9.416 11.696 -3.186 379 1HG GLN 49 1HG GLN 49 10.166 13.025 -0.590 380 2HG GLN 49 2HG GLN 49 11.258 12.674 -1.929 381 1HE2 GLN 49 1HE2 GLN 49 11.688 14.357 -3.141 382 2HE2 GLN 49 2HE2 GLN 49 10.630 15.684 -3.468 383 H ALA 50 H ALA 50 7.384 9.804 -0.676 384 HA ALA 50 HA ALA 50 6.152 8.569 -3.004 385 1HB ALA 50 1HB ALA 50 6.020 6.629 -1.202 386 2HB ALA 50 2HB ALA 50 7.263 7.609 -0.421 387 3HB ALA 50 3HB ALA 50 7.517 7.004 -2.058 388 H ASP 51 H ASP 51 4.021 7.890 -3.103 389 HA ASP 51 HA ASP 51 2.214 9.226 -1.254 390 1HB ASP 51 1HB ASP 51 1.655 7.684 -3.797 391 2HB ASP 51 2HB ASP 51 0.445 8.542 -2.846 392 H PHE 52 H PHE 52 1.349 8.240 0.429 393 HA PHE 52 HA PHE 52 1.522 5.332 0.609 394 1HB PHE 52 1HB PHE 52 0.947 7.457 2.680 395 2HB PHE 52 2HB PHE 52 0.889 5.720 3.016 396 HD1 PHE 52 HD1 PHE 52 3.225 8.135 1.370 397 HD2 PHE 52 HD2 PHE 52 2.735 4.853 4.033 398 HE1 PHE 52 HE1 PHE 52 5.645 8.140 1.817 399 HE2 PHE 52 HE2 PHE 52 5.153 4.852 4.485 400 HZ PHE 52 HZ PHE 52 6.611 6.496 3.377 401 H TYR 53 H TYR 53 -0.189 4.793 -0.794 402 HA TYR 53 HA TYR 53 -2.877 5.579 0.064 403 1HB TYR 53 1HB TYR 53 -1.787 4.362 -2.460 404 2HB TYR 53 2HB TYR 53 -3.504 4.262 -2.085 405 HD1 TYR 53 HD1 TYR 53 -4.522 6.645 -1.314 406 HD2 TYR 53 HD2 TYR 53 -1.140 6.091 -3.834 407 HE1 TYR 53 HE1 TYR 53 -4.868 8.885 -2.265 408 HE2 TYR 53 HE2 TYR 53 -1.471 8.330 -4.788 409 HH TYR 53 HH TYR 53 -4.321 10.157 -4.233 410 H LYS 54 H LYS 54 -4.460 3.547 -0.518 411 HA LYS 54 HA LYS 54 -3.356 1.086 0.540 412 1HB LYS 54 1HB LYS 54 -5.624 2.496 1.954 413 2HB LYS 54 2HB LYS 54 -4.949 0.929 2.373 414 1HG LYS 54 1HG LYS 54 -2.777 2.027 2.818 415 2HG LYS 54 2HG LYS 54 -3.545 3.586 2.520 416 1HD LYS 54 1HD LYS 54 -4.273 1.611 4.683 417 2HD LYS 54 2HD LYS 54 -3.422 3.140 4.904 418 1HE LYS 54 1HE LYS 54 -6.234 2.819 3.877 419 2HE LYS 54 2HE LYS 54 -5.789 3.319 5.506 420 1HZ LYS 54 1HZ LYS 54 -6.380 5.157 3.942 421 2HZ LYS 54 2HZ LYS 54 -4.971 4.808 3.077 422 3HZ LYS 54 3HZ LYS 54 -4.869 5.319 4.686 423 H LEU 55 H LEU 55 -4.362 -0.683 -0.207 424 HA LEU 55 HA LEU 55 -6.525 -0.263 -2.112 425 1HB LEU 55 1HB LEU 55 -4.405 -1.558 -2.627 426 2HB LEU 55 2HB LEU 55 -5.010 -2.804 -1.557 427 HG LEU 55 HG LEU 55 -5.405 -3.292 -3.950 428 1HD1 LEU 55 1HD1 LEU 55 -8.149 -2.951 -2.982 429 2HD1 LEU 55 2HD1 LEU 55 -7.059 -3.746 -1.846 430 3HD1 LEU 55 3HD1 LEU 55 -7.281 -4.409 -3.464 431 1HD2 LEU 55 1HD2 LEU 55 -6.905 -2.028 -5.264 432 2HD2 LEU 55 2HD2 LEU 55 -5.784 -0.870 -4.547 433 3HD2 LEU 55 3HD2 LEU 55 -7.408 -1.054 -3.883 434 H ASP 56 H ASP 56 -8.530 -1.153 -1.970 435 HA ASP 56 HA ASP 56 -9.280 -2.184 0.659 436 1HB ASP 56 1HB ASP 56 -10.518 -0.263 -0.479 437 2HB ASP 56 2HB ASP 56 -11.140 -1.466 -1.609 438 H VAL 57 H VAL 57 -9.235 -4.323 0.907 439 HA VAL 57 HA VAL 57 -9.343 -6.136 -1.298 440 HB VAL 57 HB VAL 57 -9.316 -6.575 1.692 441 1HG1 VAL 57 1HG1 VAL 57 -10.523 -8.451 0.818 442 2HG1 VAL 57 2HG1 VAL 57 -8.869 -8.982 1.127 443 3HG1 VAL 57 3HG1 VAL 57 -9.390 -8.630 -0.521 444 1HG2 VAL 57 1HG2 VAL 57 -7.263 -7.148 -0.451 445 2HG2 VAL 57 2HG2 VAL 57 -7.055 -7.345 1.290 446 3HG2 VAL 57 3HG2 VAL 57 -7.261 -5.733 0.603 447 H ASP 58 H ASP 58 -11.755 -4.482 0.313 448 HA ASP 58 HA ASP 58 -13.751 -6.598 -0.027 449 1HB ASP 58 1HB ASP 58 -13.741 -5.279 2.087 450 2HB ASP 58 2HB ASP 58 -14.079 -3.830 1.154 451 H GLU 59 H GLU 59 -13.462 -3.129 -0.765 452 HA GLU 59 HA GLU 59 -15.522 -3.132 -2.702 453 1HB GLU 59 1HB GLU 59 -14.750 -1.124 -1.451 454 2HB GLU 59 2HB GLU 59 -13.256 -1.151 -2.379 455 1HG GLU 59 1HG GLU 59 -14.740 0.483 -3.314 456 2HG GLU 59 2HG GLU 59 -14.581 -0.861 -4.443 457 H LEU 60 H LEU 60 -12.060 -3.638 -2.862 458 HA LEU 60 HA LEU 60 -12.315 -4.111 -5.760 459 1HB LEU 60 1HB LEU 60 -9.921 -3.102 -4.224 460 2HB LEU 60 2HB LEU 60 -9.889 -3.565 -5.913 461 HG LEU 60 HG LEU 60 -11.540 -1.772 -6.400 462 1HD1 LEU 60 1HD1 LEU 60 -11.341 -0.033 -4.311 463 2HD1 LEU 60 2HD1 LEU 60 -11.500 -1.581 -3.486 464 3HD1 LEU 60 3HD1 LEU 60 -12.725 -1.070 -4.642 465 1HD2 LEU 60 1HD2 LEU 60 -8.837 -1.228 -5.269 466 2HD2 LEU 60 2HD2 LEU 60 -9.862 0.129 -5.734 467 3HD2 LEU 60 3HD2 LEU 60 -9.415 -1.087 -6.929 468 H GLY 61 H GLY 61 -13.011 -6.231 -4.471 469 1HA GLY 61 1HA GLY 61 -10.986 -7.896 -3.425 470 2HA GLY 61 2HA GLY 61 -12.544 -8.435 -4.032 471 H ASP 62 H ASP 62 -11.642 -6.966 -6.642 472 HA ASP 62 HA ASP 62 -10.633 -9.335 -7.892 473 1HB ASP 62 1HB ASP 62 -11.141 -6.613 -9.010 474 2HB ASP 62 2HB ASP 62 -10.751 -8.029 -9.968 475 H VAL 63 H VAL 63 -9.285 -6.362 -6.720 476 HA VAL 63 HA VAL 63 -6.838 -6.579 -8.215 477 HB VAL 63 HB VAL 63 -7.267 -4.916 -5.732 478 1HG1 VAL 63 1HG1 VAL 63 -5.009 -5.343 -7.206 479 2HG1 VAL 63 2HG1 VAL 63 -5.319 -3.919 -6.213 480 3HG1 VAL 63 3HG1 VAL 63 -5.657 -3.879 -7.942 481 1HG2 VAL 63 1HG2 VAL 63 -8.101 -3.134 -7.083 482 2HG2 VAL 63 2HG2 VAL 63 -9.073 -4.562 -7.434 483 3HG2 VAL 63 3HG2 VAL 63 -7.820 -4.049 -8.564 484 H ALA 64 H ALA 64 -7.724 -7.061 -4.781 485 HA ALA 64 HA ALA 64 -5.227 -7.993 -3.879 486 1HB ALA 64 1HB ALA 64 -7.631 -9.257 -2.714 487 2HB ALA 64 2HB ALA 64 -7.590 -7.494 -2.678 488 3HB ALA 64 3HB ALA 64 -6.290 -8.421 -1.928 489 H GLN 65 H GLN 65 -7.656 -9.452 -5.852 490 HA GLN 65 HA GLN 65 -6.626 -12.143 -5.485 491 1HB GLN 65 1HB GLN 65 -9.043 -11.833 -5.678 492 2HB GLN 65 2HB GLN 65 -8.835 -11.083 -7.255 493 1HG GLN 65 1HG GLN 65 -7.943 -13.184 -8.133 494 2HG GLN 65 2HG GLN 65 -8.167 -13.934 -6.553 495 1HE2 GLN 65 1HE2 GLN 65 -9.897 -15.153 -6.442 496 2HE2 GLN 65 2HE2 GLN 65 -11.388 -14.899 -7.277 497 H LYS 66 H LYS 66 -6.675 -9.594 -7.953 498 HA LYS 66 HA LYS 66 -5.611 -11.107 -10.061 499 1HB LYS 66 1HB LYS 66 -5.293 -9.108 -11.207 500 2HB LYS 66 2HB LYS 66 -6.575 -8.694 -10.079 501 1HG LYS 66 1HG LYS 66 -4.986 -7.584 -8.631 502 2HG LYS 66 2HG LYS 66 -3.658 -8.064 -9.686 503 1HD LYS 66 1HD LYS 66 -4.697 -6.775 -11.520 504 2HD LYS 66 2HD LYS 66 -5.958 -6.248 -10.404 505 1HE LYS 66 1HE LYS 66 -4.300 -4.514 -10.601 506 2HE LYS 66 2HE LYS 66 -4.213 -5.216 -8.986 507 1HZ LYS 66 1HZ LYS 66 -2.337 -5.548 -11.242 508 2HZ LYS 66 2HZ LYS 66 -2.381 -6.670 -9.978 509 3HZ LYS 66 3HZ LYS 66 -2.012 -5.052 -9.658 510 H ASN 67 H ASN 67 -3.976 -9.122 -7.606 511 HA ASN 67 HA ASN 67 -1.363 -9.873 -8.489 512 1HB ASN 67 1HB ASN 67 -2.360 -8.455 -6.009 513 2HB ASN 67 2HB ASN 67 -0.661 -8.665 -6.429 514 1HD2 ASN 67 1HD2 ASN 67 -3.110 -6.541 -6.478 515 2HD2 ASN 67 2HD2 ASN 67 -2.623 -5.541 -7.820 516 H GLU 68 H GLU 68 -3.743 -11.466 -6.796 517 HA GLU 68 HA GLU 68 -3.808 -13.403 -5.625 518 1HB GLU 68 1HB GLU 68 -0.861 -13.560 -6.280 519 2HB GLU 68 2HB GLU 68 -1.840 -14.876 -5.646 520 1HG GLU 68 1HG GLU 68 -3.209 -14.838 -7.664 521 2HG GLU 68 2HG GLU 68 -2.238 -13.512 -8.300 522 H VAL 69 H VAL 69 -3.592 -11.038 -4.175 523 HA VAL 69 HA VAL 69 -1.804 -11.794 -1.957 524 HB VAL 69 HB VAL 69 -3.022 -9.087 -2.519 525 1HG1 VAL 69 1HG1 VAL 69 -1.014 -10.004 -0.456 526 2HG1 VAL 69 2HG1 VAL 69 -2.649 -9.407 -0.161 527 3HG1 VAL 69 3HG1 VAL 69 -1.417 -8.319 -0.796 528 1HG2 VAL 69 1HG2 VAL 69 -1.165 -8.473 -3.648 529 2HG2 VAL 69 2HG2 VAL 69 -1.040 -10.204 -3.964 530 3HG2 VAL 69 3HG2 VAL 69 -0.102 -9.476 -2.660 531 H SER 70 H SER 70 -3.432 -13.350 -1.271 532 HA SER 70 HA SER 70 -5.917 -12.251 -0.228 533 1HB SER 70 1HB SER 70 -6.484 -14.595 0.297 534 2HB SER 70 2HB SER 70 -6.008 -14.403 -1.399 535 HG SER 70 HG SER 70 -3.996 -15.259 -0.893 536 H ALA 71 H ALA 71 -2.958 -12.031 0.880 537 HA ALA 71 HA ALA 71 -2.934 -13.204 3.425 538 1HB ALA 71 1HB ALA 71 -0.922 -12.254 3.591 539 2HB ALA 71 2HB ALA 71 -1.559 -10.640 3.276 540 3HB ALA 71 3HB ALA 71 -1.179 -11.715 1.932 541 H MET 72 H MET 72 -2.370 -10.887 5.086 542 HA MET 72 HA MET 72 -4.536 -9.095 5.160 543 1HB MET 72 1HB MET 72 -5.729 -10.058 7.142 544 2HB MET 72 2HB MET 72 -5.944 -10.958 5.647 545 1HG MET 72 1HG MET 72 -4.605 -12.712 6.356 546 2HG MET 72 2HG MET 72 -3.825 -11.746 7.606 547 1HE MET 72 1HE MET 72 -4.346 -13.735 9.634 548 2HE MET 72 2HE MET 72 -4.611 -14.525 8.080 549 3HE MET 72 3HE MET 72 -5.801 -14.693 9.370 550 HA PRO 73 HA PRO 73 -3.575 -7.546 4.789 551 1HB PRO 73 1HB PRO 73 -2.256 -5.275 5.031 552 2HB PRO 73 2HB PRO 73 -3.648 -5.606 6.080 553 1HG PRO 73 1HG PRO 73 -0.745 -5.687 6.701 554 2HG PRO 73 2HG PRO 73 -2.109 -5.244 7.735 555 1HD PRO 73 1HD PRO 73 -0.787 -7.766 7.599 556 2HD PRO 73 2HD PRO 73 -2.234 -7.348 8.543 557 H THR 74 H THR 74 -1.762 -5.970 3.388 558 HA THR 74 HA THR 74 0.739 -7.427 3.136 559 HB THR 74 HB THR 74 -1.203 -7.222 0.830 560 HG1 THR 74 HG1 THR 74 -0.347 -9.708 1.442 561 1HG2 THR 74 1HG2 THR 74 1.647 -8.073 0.968 562 2HG2 THR 74 2HG2 THR 74 0.814 -7.119 -0.256 563 3HG2 THR 74 3HG2 THR 74 0.557 -8.860 -0.167 564 H LEU 75 H LEU 75 2.239 -6.391 1.612 565 HA LEU 75 HA LEU 75 1.651 -3.529 1.242 566 1HB LEU 75 1HB LEU 75 4.134 -4.891 2.222 567 2HB LEU 75 2HB LEU 75 4.221 -3.314 1.466 568 HG LEU 75 HG LEU 75 2.540 -3.904 3.904 569 1HD1 LEU 75 1HD1 LEU 75 4.713 -4.202 4.682 570 2HD1 LEU 75 2HD1 LEU 75 4.401 -2.492 4.988 571 3HD1 LEU 75 3HD1 LEU 75 5.372 -2.977 3.598 572 1HD2 LEU 75 1HD2 LEU 75 3.507 -1.243 2.922 573 2HD2 LEU 75 2HD2 LEU 75 2.187 -1.604 4.034 574 3HD2 LEU 75 3HD2 LEU 75 2.017 -1.959 2.315 575 H LEU 76 H LEU 76 1.740 -2.851 -0.791 576 HA LEU 76 HA LEU 76 3.417 -4.345 -2.697 577 1HB LEU 76 1HB LEU 76 0.694 -3.128 -3.186 578 2HB LEU 76 2HB LEU 76 1.735 -3.778 -4.452 579 HG LEU 76 HG LEU 76 0.313 -5.269 -2.257 580 1HD1 LEU 76 1HD1 LEU 76 -0.334 -4.692 -4.896 581 2HD1 LEU 76 2HD1 LEU 76 -1.093 -5.895 -3.854 582 3HD1 LEU 76 3HD1 LEU 76 0.226 -6.363 -4.926 583 1HD2 LEU 76 1HD2 LEU 76 2.244 -6.466 -2.122 584 2HD2 LEU 76 2HD2 LEU 76 2.770 -6.011 -3.742 585 3HD2 LEU 76 3HD2 LEU 76 1.539 -7.256 -3.533 586 H LEU 77 H LEU 77 4.914 -3.172 -3.682 587 HA LEU 77 HA LEU 77 4.664 -0.240 -3.603 588 1HB LEU 77 1HB LEU 77 7.120 -1.988 -3.736 589 2HB LEU 77 2HB LEU 77 7.149 -0.240 -3.852 590 HG LEU 77 HG LEU 77 6.195 -0.100 -1.568 591 1HD1 LEU 77 1HD1 LEU 77 6.589 -2.402 -0.308 592 2HD1 LEU 77 2HD1 LEU 77 6.167 -3.046 -1.895 593 3HD1 LEU 77 3HD1 LEU 77 5.042 -1.986 -1.044 594 1HD2 LEU 77 1HD2 LEU 77 8.658 -0.081 -2.064 595 2HD2 LEU 77 2HD2 LEU 77 8.686 -1.787 -1.618 596 3HD2 LEU 77 3HD2 LEU 77 8.222 -0.572 -0.427 597 H PHE 78 H PHE 78 4.783 0.935 -5.437 598 HA PHE 78 HA PHE 78 5.464 -0.431 -7.954 599 1HB PHE 78 1HB PHE 78 3.043 1.349 -7.580 600 2HB PHE 78 2HB PHE 78 3.505 0.492 -9.047 601 HD1 PHE 78 HD1 PHE 78 3.664 -2.103 -8.843 602 HD2 PHE 78 HD2 PHE 78 1.532 0.389 -6.131 603 HE1 PHE 78 HE1 PHE 78 2.324 -4.037 -8.124 604 HE2 PHE 78 HE2 PHE 78 0.188 -1.542 -5.411 605 HZ PHE 78 HZ PHE 78 0.578 -3.754 -6.404 606 H LYS 79 H LYS 79 6.904 0.749 -9.122 607 HA LYS 79 HA LYS 79 7.049 3.645 -8.549 608 1HB LYS 79 1HB LYS 79 9.184 1.657 -9.267 609 2HB LYS 79 2HB LYS 79 9.425 3.377 -9.535 610 1HG LYS 79 1HG LYS 79 9.097 3.811 -7.165 611 2HG LYS 79 2HG LYS 79 8.805 2.097 -6.877 612 1HD LYS 79 1HD LYS 79 11.093 2.713 -6.290 613 2HD LYS 79 2HD LYS 79 11.068 1.578 -7.641 614 1HE LYS 79 1HE LYS 79 11.368 3.441 -9.203 615 2HE LYS 79 2HE LYS 79 11.398 4.570 -7.850 616 1HZ LYS 79 1HZ LYS 79 13.619 4.218 -8.254 617 2HZ LYS 79 2HZ LYS 79 13.417 2.585 -8.650 618 3HZ LYS 79 3HZ LYS 79 13.326 3.081 -7.035 619 H ASN 80 H ASN 80 6.745 5.077 -10.156 620 HA ASN 80 HA ASN 80 6.078 5.869 -12.189 621 1HB ASN 80 1HB ASN 80 8.277 4.000 -13.093 622 2HB ASN 80 2HB ASN 80 7.589 5.302 -14.062 623 1HD2 ASN 80 1HD2 ASN 80 8.784 7.046 -14.104 624 2HD2 ASN 80 2HD2 ASN 80 9.804 7.623 -12.834 625 H GLY 81 H GLY 81 4.198 4.180 -11.496 626 1HA GLY 81 1HA GLY 81 2.507 2.851 -12.264 627 2HA GLY 81 2HA GLY 81 3.027 3.329 -13.875 628 H LYS 82 H LYS 82 5.379 1.737 -11.964 629 HA LYS 82 HA LYS 82 4.902 -0.764 -13.447 630 1HB LYS 82 1HB LYS 82 7.547 0.364 -12.501 631 2HB LYS 82 2HB LYS 82 7.323 -1.136 -13.389 632 1HG LYS 82 1HG LYS 82 6.742 1.627 -14.412 633 2HG LYS 82 2HG LYS 82 8.109 0.609 -14.857 634 1HD LYS 82 1HD LYS 82 5.200 -0.025 -15.348 635 2HD LYS 82 2HD LYS 82 6.351 0.544 -16.559 636 1HE LYS 82 1HE LYS 82 7.704 -1.466 -16.208 637 2HE LYS 82 2HE LYS 82 6.550 -2.032 -15.001 638 1HZ LYS 82 1HZ LYS 82 6.447 -2.740 -17.551 639 2HZ LYS 82 2HZ LYS 82 5.458 -1.371 -17.613 640 3HZ LYS 82 3HZ LYS 82 5.073 -2.643 -16.569 641 H GLU 83 H GLU 83 6.980 -2.112 -11.929 642 HA GLU 83 HA GLU 83 5.491 -2.515 -9.431 643 1HB GLU 83 1HB GLU 83 5.550 -4.446 -10.961 644 2HB GLU 83 2HB GLU 83 7.306 -4.401 -10.958 645 1HG GLU 83 1HG GLU 83 7.377 -5.035 -8.650 646 2HG GLU 83 2HG GLU 83 5.623 -4.900 -8.513 647 H VAL 84 H VAL 84 7.008 -3.461 -7.647 648 HA VAL 84 HA VAL 84 9.662 -2.286 -7.699 649 HB VAL 84 HB VAL 84 7.743 -1.651 -5.543 650 1HG1 VAL 84 1HG1 VAL 84 9.474 -0.175 -4.684 651 2HG1 VAL 84 2HG1 VAL 84 10.543 -0.671 -5.997 652 3HG1 VAL 84 3HG1 VAL 84 10.049 -1.840 -4.772 653 1HG2 VAL 84 1HG2 VAL 84 7.287 -0.502 -7.706 654 2HG2 VAL 84 2HG2 VAL 84 8.877 0.239 -7.568 655 3HG2 VAL 84 3HG2 VAL 84 7.638 0.577 -6.361 656 H ALA 85 H ALA 85 7.435 -3.664 -5.297 657 HA ALA 85 HA ALA 85 8.867 -6.105 -5.069 658 1HB ALA 85 1HB ALA 85 9.182 -4.643 -2.527 659 2HB ALA 85 2HB ALA 85 10.229 -4.131 -3.851 660 3HB ALA 85 3HB ALA 85 10.248 -5.810 -3.310 661 H LYS 86 H LYS 86 7.882 -7.582 -3.657 662 HA LYS 86 HA LYS 86 5.317 -6.678 -2.522 663 1HB LYS 86 1HB LYS 86 4.428 -8.922 -3.023 664 2HB LYS 86 2HB LYS 86 4.938 -8.076 -4.477 665 1HG LYS 86 1HG LYS 86 7.023 -9.362 -4.485 666 2HG LYS 86 2HG LYS 86 6.486 -10.225 -3.043 667 1HD LYS 86 1HD LYS 86 6.077 -11.551 -5.043 668 2HD LYS 86 2HD LYS 86 4.554 -11.084 -4.282 669 1HE LYS 86 1HE LYS 86 4.293 -9.275 -5.900 670 2HE LYS 86 2HE LYS 86 5.830 -9.712 -6.648 671 1HZ LYS 86 1HZ LYS 86 3.229 -10.985 -6.870 672 2HZ LYS 86 2HZ LYS 86 4.547 -12.038 -6.758 673 3HZ LYS 86 3HZ LYS 86 4.489 -10.888 -7.996 674 H VAL 87 H VAL 87 5.230 -6.831 -0.384 675 HA VAL 87 HA VAL 87 6.484 -9.100 0.955 676 HB VAL 87 HB VAL 87 7.029 -6.251 1.805 677 1HG1 VAL 87 1HG1 VAL 87 7.181 -7.301 3.803 678 2HG1 VAL 87 2HG1 VAL 87 8.780 -7.733 3.192 679 3HG1 VAL 87 3HG1 VAL 87 7.449 -8.885 3.074 680 1HG2 VAL 87 1HG2 VAL 87 9.330 -6.656 1.157 681 2HG2 VAL 87 2HG2 VAL 87 8.262 -6.892 -0.226 682 3HG2 VAL 87 3HG2 VAL 87 8.918 -8.286 0.630 683 H VAL 88 H VAL 88 4.493 -9.884 1.571 684 HA VAL 88 HA VAL 88 2.415 -8.317 2.660 685 HB VAL 88 HB VAL 88 1.891 -10.479 1.740 686 1HG1 VAL 88 1HG1 VAL 88 3.002 -12.124 3.883 687 2HG1 VAL 88 2HG1 VAL 88 4.235 -11.321 2.910 688 3HG1 VAL 88 3HG1 VAL 88 3.039 -12.361 2.135 689 1HG2 VAL 88 1HG2 VAL 88 1.375 -10.083 4.657 690 2HG2 VAL 88 2HG2 VAL 88 0.849 -11.572 3.877 691 3HG2 VAL 88 3HG2 VAL 88 0.263 -10.018 3.292 692 H GLY 89 H GLY 89 2.851 -7.060 4.374 693 1HA GLY 89 1HA GLY 89 2.683 -7.556 6.914 694 2HA GLY 89 2HA GLY 89 4.287 -8.228 6.658 695 H ALA 90 H ALA 90 2.463 -5.404 7.229 696 HA ALA 90 HA ALA 90 4.700 -3.638 6.571 697 1HB ALA 90 1HB ALA 90 2.176 -2.584 7.730 698 2HB ALA 90 2HB ALA 90 2.130 -3.235 6.092 699 3HB ALA 90 3HB ALA 90 3.219 -1.904 6.481 700 H ASN 91 H ASN 91 5.058 -5.450 8.720 701 HA ASN 91 HA ASN 91 4.682 -4.059 11.185 702 1HB ASN 91 1HB ASN 91 6.009 -5.966 12.065 703 2HB ASN 91 2HB ASN 91 4.595 -6.468 11.165 704 1HD2 ASN 91 1HD2 ASN 91 4.951 -8.118 9.889 705 2HD2 ASN 91 2HD2 ASN 91 6.436 -8.500 9.093 706 HA PRO 92 HA PRO 92 8.230 -1.405 11.207 707 1HB PRO 92 1HB PRO 92 8.592 -2.558 13.947 708 2HB PRO 92 2HB PRO 92 8.653 -0.870 13.422 709 1HG PRO 92 1HG PRO 92 6.486 -1.776 14.629 710 2HG PRO 92 2HG PRO 92 6.338 -0.718 13.211 711 1HD PRO 92 1HD PRO 92 5.927 -3.668 13.424 712 2HD PRO 92 2HD PRO 92 5.062 -2.475 12.433 713 H ALA 93 H ALA 93 9.394 -2.718 9.655 714 HA ALA 93 HA ALA 93 11.903 -3.576 10.542 715 1HB ALA 93 1HB ALA 93 10.553 -6.013 9.576 716 2HB ALA 93 2HB ALA 93 10.135 -5.486 11.205 717 3HB ALA 93 3HB ALA 93 11.817 -5.817 10.791 718 H ALA 94 H ALA 94 9.394 -3.950 8.074 719 HA ALA 94 HA ALA 94 11.500 -3.664 6.040 720 1HB ALA 94 1HB ALA 94 10.429 -5.974 6.203 721 2HB ALA 94 2HB ALA 94 10.477 -5.217 4.611 722 3HB ALA 94 3HB ALA 94 8.980 -5.216 5.543 723 H ILE 95 H ILE 95 8.107 -3.058 6.846 724 HA ILE 95 HA ILE 95 7.312 -1.643 4.624 725 HB ILE 95 HB ILE 95 5.767 -2.172 6.398 726 1HG1 ILE 95 1HG1 ILE 95 4.544 -0.092 6.569 727 2HG1 ILE 95 2HG1 ILE 95 5.995 0.838 6.206 728 1HG2 ILE 95 1HG2 ILE 95 7.718 -1.421 8.114 729 2HG2 ILE 95 2HG2 ILE 95 6.032 -1.671 8.568 730 3HG2 ILE 95 3HG2 ILE 95 6.622 -0.045 8.227 731 1HD1 ILE 95 1HD1 ILE 95 5.524 0.741 4.053 732 2HD1 ILE 95 2HD1 ILE 95 4.053 -0.155 4.428 733 3HD1 ILE 95 3HD1 ILE 95 5.553 -1.021 4.101 734 H LYS 96 H LYS 96 9.737 -0.771 6.901 735 HA LYS 96 HA LYS 96 9.588 2.064 6.227 736 1HB LYS 96 1HB LYS 96 11.406 2.343 7.858 737 2HB LYS 96 2HB LYS 96 10.028 1.501 8.552 738 1HG LYS 96 1HG LYS 96 11.207 -0.636 8.242 739 2HG LYS 96 2HG LYS 96 12.601 0.249 7.620 740 1HD LYS 96 1HD LYS 96 12.913 -0.308 9.970 741 2HD LYS 96 2HD LYS 96 12.798 1.439 9.750 742 1HE LYS 96 1HE LYS 96 10.463 1.383 10.449 743 2HE LYS 96 2HE LYS 96 10.551 -0.368 10.638 744 1HZ LYS 96 1HZ LYS 96 12.525 0.284 12.214 745 2HZ LYS 96 2HZ LYS 96 10.927 0.294 12.767 746 3HZ LYS 96 3HZ LYS 96 11.677 1.744 12.323 747 H GLN 97 H GLN 97 11.934 -0.600 5.987 748 HA GLN 97 HA GLN 97 13.789 0.897 4.432 749 1HB GLN 97 1HB GLN 97 13.494 -2.095 4.763 750 2HB GLN 97 2HB GLN 97 14.880 -1.285 4.042 751 1HG GLN 97 1HG GLN 97 15.337 -0.175 6.168 752 2HG GLN 97 2HG GLN 97 13.950 -0.981 6.888 753 1HE2 GLN 97 1HE2 GLN 97 15.220 -3.176 4.802 754 2HE2 GLN 97 2HE2 GLN 97 16.280 -4.013 5.876 755 H ALA 98 H ALA 98 11.055 -1.150 3.725 756 HA ALA 98 HA ALA 98 11.559 -1.621 0.997 757 1HB ALA 98 1HB ALA 98 9.914 -2.979 1.912 758 2HB ALA 98 2HB ALA 98 8.983 -1.849 0.930 759 3HB ALA 98 3HB ALA 98 9.080 -1.626 2.676 760 H ILE 99 H ILE 99 10.174 1.086 2.712 761 HA ILE 99 HA ILE 99 9.352 2.411 0.256 762 HB ILE 99 HB ILE 99 9.235 3.410 3.108 763 1HG1 ILE 99 1HG1 ILE 99 7.080 2.161 1.384 764 2HG1 ILE 99 2HG1 ILE 99 7.873 1.383 2.749 765 1HG2 ILE 99 1HG2 ILE 99 9.060 5.336 1.868 766 2HG2 ILE 99 2HG2 ILE 99 7.370 4.839 1.925 767 3HG2 ILE 99 3HG2 ILE 99 8.336 4.512 0.487 768 1HD1 ILE 99 1HD1 ILE 99 6.585 2.434 4.241 769 2HD1 ILE 99 2HD1 ILE 99 5.521 2.728 2.867 770 3HD1 ILE 99 3HD1 ILE 99 6.664 3.969 3.380 771 H ALA 100 H ALA 100 12.187 2.112 2.016 772 HA ALA 100 HA ALA 100 13.136 4.815 1.520 773 1HB ALA 100 1HB ALA 100 15.157 2.979 2.465 774 2HB ALA 100 2HB ALA 100 13.702 2.903 3.458 775 3HB ALA 100 3HB ALA 100 14.526 4.444 3.215 776 H ALA 101 H ALA 101 14.751 1.693 1.004 777 HA ALA 101 HA ALA 101 16.490 2.489 -0.966 778 1HB ALA 101 1HB ALA 101 17.020 0.405 -0.247 779 2HB ALA 101 2HB ALA 101 16.155 -0.047 -1.715 780 3HB ALA 101 3HB ALA 101 15.337 -0.114 -0.154 781 H ASN 102 H ASN 102 13.096 1.684 -1.279 782 HA ASN 102 HA ASN 102 13.180 1.563 -4.151 783 1HB ASN 102 1HB ASN 102 10.923 1.571 -2.144 784 2HB ASN 102 2HB ASN 102 10.690 1.431 -3.885 785 1HD2 ASN 102 1HD2 ASN 102 13.520 -0.128 -3.298 786 2HD2 ASN 102 2HD2 ASN 102 12.924 -1.727 -3.062 787 H ALA 103 H ALA 103 11.866 3.791 -1.708 788 HA ALA 103 HA ALA 103 11.365 5.781 -3.791 789 1HB ALA 103 1HB ALA 103 9.669 6.440 -2.516 790 2HB ALA 103 2HB ALA 103 10.733 6.682 -1.130 791 3HB ALA 103 3HB ALA 103 10.028 5.094 -1.436 Start of MODEL 12 1 1H MET 1 1H MET 1 -0.458 12.292 4.523 2 2H MET 1 2H MET 1 -0.488 10.955 3.449 3 3H MET 1 3H MET 1 -0.667 10.706 5.138 4 HA MET 1 HA MET 1 -2.678 12.162 4.972 5 1HB MET 1 1HB MET 1 -2.149 13.050 2.754 6 2HB MET 1 2HB MET 1 -2.233 11.433 2.069 7 1HG MET 1 1HG MET 1 -4.242 12.688 1.577 8 2HG MET 1 2HG MET 1 -4.602 11.312 2.617 9 1HE MET 1 1HE MET 1 -7.240 13.775 3.927 10 2HE MET 1 2HE MET 1 -6.886 12.360 2.936 11 3HE MET 1 3HE MET 1 -6.662 13.979 2.274 12 H VAL 2 H VAL 2 -1.893 9.352 2.918 13 HA VAL 2 HA VAL 2 -2.627 7.198 2.946 14 HB VAL 2 HB VAL 2 -3.701 7.854 5.691 15 1HG1 VAL 2 1HG1 VAL 2 -3.537 5.362 4.097 16 2HG1 VAL 2 2HG1 VAL 2 -4.733 5.870 5.289 17 3HG1 VAL 2 3HG1 VAL 2 -3.168 5.252 5.818 18 1HG2 VAL 2 1HG2 VAL 2 -1.007 7.058 4.697 19 2HG2 VAL 2 2HG2 VAL 2 -1.548 6.487 6.275 20 3HG2 VAL 2 3HG2 VAL 2 -1.448 8.218 5.951 21 H THR 3 H THR 3 -4.249 6.473 1.755 22 HA THR 3 HA THR 3 -6.995 7.131 2.427 23 HB THR 3 HB THR 3 -5.809 7.816 -0.271 24 HG1 THR 3 HG1 THR 3 -5.408 9.571 0.840 25 1HG2 THR 3 1HG2 THR 3 -8.631 7.745 0.694 26 2HG2 THR 3 2HG2 THR 3 -7.954 7.188 -0.836 27 3HG2 THR 3 3HG2 THR 3 -8.129 8.916 -0.526 28 H GLN 4 H GLN 4 -8.503 5.681 1.592 29 HA GLN 4 HA GLN 4 -7.383 3.125 0.742 30 1HB GLN 4 1HB GLN 4 -10.265 3.822 1.312 31 2HB GLN 4 2HB GLN 4 -9.561 2.214 1.226 32 1HG GLN 4 1HG GLN 4 -8.260 2.652 3.228 33 2HG GLN 4 2HG GLN 4 -8.910 4.289 3.308 34 1HE2 GLN 4 1HE2 GLN 4 -9.164 1.321 4.602 35 2HE2 GLN 4 2HE2 GLN 4 -10.810 1.354 5.129 36 H PHE 5 H PHE 5 -8.563 1.900 -1.001 37 HA PHE 5 HA PHE 5 -9.423 3.742 -3.132 38 1HB PHE 5 1HB PHE 5 -7.848 1.176 -3.354 39 2HB PHE 5 2HB PHE 5 -8.587 1.989 -4.740 40 HD1 PHE 5 HD1 PHE 5 -7.991 4.839 -3.653 41 HD2 PHE 5 HD2 PHE 5 -5.614 1.340 -4.173 42 HE1 PHE 5 HE1 PHE 5 -5.993 6.246 -3.957 43 HE2 PHE 5 HE2 PHE 5 -3.617 2.745 -4.474 44 HZ PHE 5 HZ PHE 5 -3.804 5.194 -4.369 45 H LYS 6 H LYS 6 -11.420 3.527 -3.806 46 HA LYS 6 HA LYS 6 -12.886 1.052 -3.191 47 1HB LYS 6 1HB LYS 6 -13.937 3.797 -3.903 48 2HB LYS 6 2HB LYS 6 -14.922 2.400 -3.503 49 1HG LYS 6 1HG LYS 6 -12.964 3.702 -1.625 50 2HG LYS 6 2HG LYS 6 -14.696 4.025 -1.657 51 1HD LYS 6 1HD LYS 6 -14.594 2.446 0.005 52 2HD LYS 6 2HD LYS 6 -14.863 1.413 -1.400 53 1HE LYS 6 1HE LYS 6 -13.109 0.525 0.052 54 2HE LYS 6 2HE LYS 6 -12.475 0.953 -1.531 55 1HZ LYS 6 1HZ LYS 6 -12.252 3.179 0.168 56 2HZ LYS 6 2HZ LYS 6 -11.017 2.286 -0.563 57 3HZ LYS 6 3HZ LYS 6 -11.596 1.834 0.959 58 H THR 7 H THR 7 -11.942 3.232 -5.752 59 HA THR 7 HA THR 7 -12.953 1.282 -7.713 60 HB THR 7 HB THR 7 -13.392 3.164 -9.259 61 HG1 THR 7 HG1 THR 7 -12.471 4.967 -8.752 62 1HG2 THR 7 1HG2 THR 7 -15.324 2.459 -8.118 63 2HG2 THR 7 2HG2 THR 7 -15.307 4.220 -8.018 64 3HG2 THR 7 3HG2 THR 7 -14.823 3.252 -6.624 65 H ALA 8 H ALA 8 -11.484 0.575 -9.144 66 HA ALA 8 HA ALA 8 -8.773 0.995 -8.832 67 1HB ALA 8 1HB ALA 8 -9.728 0.306 -11.553 68 2HB ALA 8 2HB ALA 8 -10.177 -0.770 -10.228 69 3HB ALA 8 3HB ALA 8 -8.477 -0.448 -10.567 70 H SER 9 H SER 9 -11.066 2.935 -10.541 71 HA SER 9 HA SER 9 -9.337 4.256 -12.317 72 1HB SER 9 1HB SER 9 -11.836 5.297 -10.957 73 2HB SER 9 2HB SER 9 -11.053 6.033 -12.356 74 HG SER 9 HG SER 9 -11.465 4.082 -13.498 75 H GLU 10 H GLU 10 -9.555 4.372 -8.910 76 HA GLU 10 HA GLU 10 -8.377 6.999 -8.703 77 1HB GLU 10 1HB GLU 10 -9.101 5.006 -6.563 78 2HB GLU 10 2HB GLU 10 -8.523 6.640 -6.268 79 1HG GLU 10 1HG GLU 10 -11.072 5.921 -7.695 80 2HG GLU 10 2HG GLU 10 -10.946 6.453 -6.020 81 H PHE 11 H PHE 11 -7.514 3.659 -8.206 82 HA PHE 11 HA PHE 11 -4.875 4.279 -7.262 83 1HB PHE 11 1HB PHE 11 -6.221 2.263 -6.545 84 2HB PHE 11 2HB PHE 11 -5.926 1.589 -8.142 85 HD1 PHE 11 HD1 PHE 11 -5.073 -0.238 -6.428 86 HD2 PHE 11 HD2 PHE 11 -3.094 3.444 -7.239 87 HE1 PHE 11 HE1 PHE 11 -2.957 -1.196 -5.618 88 HE2 PHE 11 HE2 PHE 11 -0.979 2.490 -6.437 89 HZ PHE 11 HZ PHE 11 -0.909 0.171 -5.624 90 H ASP 12 H ASP 12 -6.396 3.405 -10.279 91 HA ASP 12 HA ASP 12 -4.215 2.541 -11.760 92 1HB ASP 12 1HB ASP 12 -6.525 2.430 -12.576 93 2HB ASP 12 2HB ASP 12 -6.572 4.185 -12.707 94 H SER 13 H SER 13 -5.258 5.824 -11.011 95 HA SER 13 HA SER 13 -3.133 6.966 -12.633 96 1HB SER 13 1HB SER 13 -5.231 8.292 -10.904 97 2HB SER 13 2HB SER 13 -4.095 9.139 -11.952 98 HG SER 13 HG SER 13 -5.966 7.199 -12.842 99 H ALA 14 H ALA 14 -3.222 5.615 -9.649 100 HA ALA 14 HA ALA 14 -1.677 7.587 -8.216 101 1HB ALA 14 1HB ALA 14 -1.705 4.872 -7.127 102 2HB ALA 14 2HB ALA 14 -3.308 5.545 -7.427 103 3HB ALA 14 3HB ALA 14 -2.174 6.401 -6.383 104 H ILE 15 H ILE 15 -1.072 4.419 -9.701 105 HA ILE 15 HA ILE 15 1.730 4.485 -9.049 106 HB ILE 15 HB ILE 15 1.907 2.426 -10.347 107 1HG1 ILE 15 1HG1 ILE 15 -1.013 2.916 -10.978 108 2HG1 ILE 15 2HG1 ILE 15 0.319 2.871 -12.130 109 1HG2 ILE 15 1HG2 ILE 15 0.775 2.735 -7.943 110 2HG2 ILE 15 2HG2 ILE 15 1.020 1.161 -8.698 111 3HG2 ILE 15 3HG2 ILE 15 -0.556 1.947 -8.791 112 1HD1 ILE 15 1HD1 ILE 15 -0.764 0.570 -10.528 113 2HD1 ILE 15 2HD1 ILE 15 0.677 0.494 -11.542 114 3HD1 ILE 15 3HD1 ILE 15 -0.896 0.822 -12.270 115 H ALA 16 H ALA 16 -0.141 4.753 -12.066 116 HA ALA 16 HA ALA 16 1.790 4.971 -13.936 117 1HB ALA 16 1HB ALA 16 -0.230 5.179 -14.921 118 2HB ALA 16 2HB ALA 16 0.177 6.895 -14.863 119 3HB ALA 16 3HB ALA 16 -0.875 6.196 -13.632 120 H GLN 17 H GLN 17 3.718 5.897 -13.457 121 HA GLN 17 HA GLN 17 5.272 7.495 -12.954 122 1HB GLN 17 1HB GLN 17 3.325 9.155 -14.562 123 2HB GLN 17 2HB GLN 17 4.999 9.583 -14.239 124 1HG GLN 17 1HG GLN 17 5.746 7.607 -15.462 125 2HG GLN 17 2HG GLN 17 4.064 7.176 -15.786 126 1HE2 GLN 17 1HE2 GLN 17 6.711 8.513 -17.114 127 2HE2 GLN 17 2HE2 GLN 17 5.980 9.539 -18.296 128 H ASP 18 H ASP 18 5.012 7.631 -10.699 129 HA ASP 18 HA ASP 18 4.336 10.203 -9.748 130 1HB ASP 18 1HB ASP 18 2.054 9.134 -10.068 131 2HB ASP 18 2HB ASP 18 2.489 8.027 -8.770 132 H LYS 19 H LYS 19 6.611 8.571 -9.581 133 HA LYS 19 HA LYS 19 8.211 7.981 -8.058 134 1HB LYS 19 1HB LYS 19 6.230 9.197 -6.146 135 2HB LYS 19 2HB LYS 19 7.873 8.755 -5.714 136 1HG LYS 19 1HG LYS 19 8.792 10.407 -7.121 137 2HG LYS 19 2HG LYS 19 7.238 10.710 -7.901 138 1HD LYS 19 1HD LYS 19 6.371 11.540 -5.734 139 2HD LYS 19 2HD LYS 19 7.978 11.311 -5.039 140 1HE LYS 19 1HE LYS 19 8.903 12.898 -6.651 141 2HE LYS 19 2HE LYS 19 7.302 13.121 -7.356 142 1HZ LYS 19 1HZ LYS 19 7.510 13.566 -4.490 143 2HZ LYS 19 2HZ LYS 19 6.643 14.426 -5.661 144 3HZ LYS 19 3HZ LYS 19 8.302 14.697 -5.470 145 H LEU 20 H LEU 20 7.770 7.016 -5.386 146 HA LEU 20 HA LEU 20 6.751 4.371 -6.077 147 1HB LEU 20 1HB LEU 20 8.980 4.390 -5.176 148 2HB LEU 20 2HB LEU 20 8.461 5.354 -3.792 149 HG LEU 20 HG LEU 20 7.056 3.442 -3.048 150 1HD1 LEU 20 1HD1 LEU 20 6.667 1.686 -4.333 151 2HD1 LEU 20 2HD1 LEU 20 8.393 1.393 -4.539 152 3HD1 LEU 20 3HD1 LEU 20 7.550 2.490 -5.631 153 1HD2 LEU 20 1HD2 LEU 20 9.106 1.928 -2.545 154 2HD2 LEU 20 2HD2 LEU 20 9.056 3.568 -1.895 155 3HD2 LEU 20 3HD2 LEU 20 10.024 3.216 -3.326 156 H VAL 21 H VAL 21 4.761 3.904 -5.560 157 HA VAL 21 HA VAL 21 3.492 5.233 -3.271 158 HB VAL 21 HB VAL 21 2.189 3.769 -5.574 159 1HG1 VAL 21 1HG1 VAL 21 0.105 4.488 -4.736 160 2HG1 VAL 21 2HG1 VAL 21 0.860 5.572 -3.569 161 3HG1 VAL 21 3HG1 VAL 21 0.971 3.826 -3.350 162 1HG2 VAL 21 1HG2 VAL 21 2.810 5.646 -6.671 163 2HG2 VAL 21 2HG2 VAL 21 3.010 6.578 -5.188 164 3HG2 VAL 21 3HG2 VAL 21 1.399 6.322 -5.857 165 H VAL 22 H VAL 22 3.194 4.092 -1.482 166 HA VAL 22 HA VAL 22 3.406 1.171 -1.610 167 HB VAL 22 HB VAL 22 3.491 2.974 0.813 168 1HG1 VAL 22 1HG1 VAL 22 2.767 0.717 1.349 169 2HG1 VAL 22 2HG1 VAL 22 4.399 0.997 1.954 170 3HG1 VAL 22 3HG1 VAL 22 4.153 0.049 0.487 171 1HG2 VAL 22 1HG2 VAL 22 5.379 2.925 -1.096 172 2HG2 VAL 22 2HG2 VAL 22 5.913 1.563 -0.110 173 3HG2 VAL 22 3HG2 VAL 22 5.736 3.161 0.614 174 H VAL 23 H VAL 23 1.394 0.457 -2.149 175 HA VAL 23 HA VAL 23 -0.895 1.433 -0.603 176 HB VAL 23 HB VAL 23 -0.886 -0.356 -3.039 177 1HG1 VAL 23 1HG1 VAL 23 -3.280 0.248 -3.158 178 2HG1 VAL 23 2HG1 VAL 23 -3.122 1.081 -1.611 179 3HG1 VAL 23 3HG1 VAL 23 -2.874 -0.663 -1.703 180 1HG2 VAL 23 1HG2 VAL 23 -0.810 2.577 -2.711 181 2HG2 VAL 23 2HG2 VAL 23 -1.947 1.951 -3.903 182 3HG2 VAL 23 3HG2 VAL 23 -0.233 1.566 -4.035 183 H ASP 24 H ASP 24 -1.976 0.205 0.809 184 HA ASP 24 HA ASP 24 -0.918 -2.466 1.373 185 1HB ASP 24 1HB ASP 24 -0.933 -0.854 3.229 186 2HB ASP 24 2HB ASP 24 -2.683 -0.656 3.045 187 H PHE 25 H PHE 25 -2.086 -4.253 0.945 188 HA PHE 25 HA PHE 25 -4.825 -3.929 0.000 189 1HB PHE 25 1HB PHE 25 -2.730 -6.073 -0.300 190 2HB PHE 25 2HB PHE 25 -4.414 -6.360 -0.733 191 HD1 PHE 25 HD1 PHE 25 -2.014 -3.540 -1.317 192 HD2 PHE 25 HD2 PHE 25 -4.730 -6.368 -2.954 193 HE1 PHE 25 HE1 PHE 25 -1.562 -2.656 -3.567 194 HE2 PHE 25 HE2 PHE 25 -4.306 -5.482 -5.200 195 HZ PHE 25 HZ PHE 25 -2.724 -3.619 -5.517 196 H TYR 26 H TYR 26 -4.782 -3.610 2.658 197 HA TYR 26 HA TYR 26 -4.824 -5.802 4.326 198 1HB TYR 26 1HB TYR 26 -6.577 -4.453 5.644 199 2HB TYR 26 2HB TYR 26 -4.995 -3.728 5.391 200 HD1 TYR 26 HD1 TYR 26 -8.226 -3.878 3.486 201 HD2 TYR 26 HD2 TYR 26 -5.061 -1.464 4.983 202 HE1 TYR 26 HE1 TYR 26 -9.291 -1.894 2.516 203 HE2 TYR 26 HE2 TYR 26 -6.120 0.528 4.048 204 HH TYR 26 HH TYR 26 -7.961 0.761 1.839 205 H ALA 27 H ALA 27 -6.081 -7.531 4.585 206 HA ALA 27 HA ALA 27 -7.989 -8.292 2.717 207 1HB ALA 27 1HB ALA 27 -7.413 -9.257 5.497 208 2HB ALA 27 2HB ALA 27 -7.004 -10.011 3.955 209 3HB ALA 27 3HB ALA 27 -8.678 -9.979 4.504 210 H THR 28 H THR 28 -10.277 -8.663 2.961 211 HA THR 28 HA THR 28 -11.552 -6.444 4.355 212 HB THR 28 HB THR 28 -12.156 -6.618 2.046 213 HG1 THR 28 HG1 THR 28 -13.863 -6.337 3.760 214 1HG2 THR 28 1HG2 THR 28 -11.971 -9.392 2.401 215 2HG2 THR 28 2HG2 THR 28 -12.364 -8.512 0.926 216 3HG2 THR 28 3HG2 THR 28 -13.653 -9.052 2.000 217 H TRP 29 H TRP 29 -10.598 -9.034 5.622 218 HA TRP 29 HA TRP 29 -13.095 -9.604 7.041 219 1HB TRP 29 1HB TRP 29 -12.314 -12.050 7.119 220 2HB TRP 29 2HB TRP 29 -13.013 -11.459 5.603 221 HD1 TRP 29 HD1 TRP 29 -11.308 -11.055 3.548 222 HE1 TRP 29 HE1 TRP 29 -8.999 -12.068 3.040 223 HE3 TRP 29 HE3 TRP 29 -10.184 -12.875 8.189 224 HZ2 TRP 29 HZ2 TRP 29 -6.965 -13.440 4.423 225 HZ3 TRP 29 HZ3 TRP 29 -8.033 -14.015 8.519 226 HH2 TRP 29 HH2 TRP 29 -6.455 -14.296 6.673 227 H CYS 30 H CYS 30 -9.555 -9.978 7.014 228 HA CYS 30 HA CYS 30 -9.030 -10.890 9.519 229 1HB CYS 30 1HB CYS 30 -7.310 -10.240 7.805 230 2HB CYS 30 2HB CYS 30 -7.552 -8.557 8.278 231 HG CYS 30 HG CYS 30 -6.783 -10.154 10.688 232 H GLY 31 H GLY 31 -9.339 -10.229 11.577 233 1HA GLY 31 1HA GLY 31 -11.025 -8.196 12.327 234 2HA GLY 31 2HA GLY 31 -9.769 -8.841 13.376 235 HA PRO 32 HA PRO 32 -7.475 -5.076 13.151 236 1HB PRO 32 1HB PRO 32 -4.919 -5.831 12.600 237 2HB PRO 32 2HB PRO 32 -5.687 -6.133 14.159 238 1HG PRO 32 1HG PRO 32 -5.337 -7.987 11.831 239 2HG PRO 32 2HG PRO 32 -5.069 -8.297 13.558 240 1HD PRO 32 1HD PRO 32 -7.316 -9.085 12.291 241 2HD PRO 32 2HD PRO 32 -7.322 -8.565 13.988 242 H CYS 33 H CYS 33 -5.075 -4.731 11.398 243 HA CYS 33 HA CYS 33 -4.492 -4.124 9.283 244 1HB CYS 33 1HB CYS 33 -7.034 -5.507 8.388 245 2HB CYS 33 2HB CYS 33 -5.697 -4.990 7.353 246 HG CYS 33 HG CYS 33 -4.397 -6.993 7.991 247 H LYS 34 H LYS 34 -6.947 -2.927 11.026 248 HA LYS 34 HA LYS 34 -7.732 -0.967 8.974 249 1HB LYS 34 1HB LYS 34 -9.622 -2.212 9.905 250 2HB LYS 34 2HB LYS 34 -9.154 -1.733 11.532 251 1HG LYS 34 1HG LYS 34 -9.591 0.601 10.980 252 2HG LYS 34 2HG LYS 34 -10.040 0.132 9.339 253 1HD LYS 34 1HD LYS 34 -11.429 -0.748 11.870 254 2HD LYS 34 2HD LYS 34 -12.012 0.485 10.749 255 1HE LYS 34 1HE LYS 34 -12.115 -1.206 8.969 256 2HE LYS 34 2HE LYS 34 -11.572 -2.432 10.115 257 1HZ LYS 34 1HZ LYS 34 -13.582 -2.538 11.091 258 2HZ LYS 34 2HZ LYS 34 -14.126 -1.948 9.604 259 3HZ LYS 34 3HZ LYS 34 -13.905 -0.888 10.904 260 H MET 35 H MET 35 -6.324 -1.405 12.126 261 HA MET 35 HA MET 35 -6.314 1.396 12.811 262 1HB MET 35 1HB MET 35 -4.721 -0.888 13.984 263 2HB MET 35 2HB MET 35 -4.945 0.700 14.706 264 1HG MET 35 1HG MET 35 -7.130 -1.297 14.174 265 2HG MET 35 2HG MET 35 -6.363 -1.004 15.729 266 1HE MET 35 1HE MET 35 -5.969 2.155 15.625 267 2HE MET 35 2HE MET 35 -6.567 1.326 17.063 268 3HE MET 35 3HE MET 35 -7.436 2.722 16.424 269 H ILE 36 H ILE 36 -4.819 -0.149 10.460 270 HA ILE 36 HA ILE 36 -2.105 0.742 10.756 271 HB ILE 36 HB ILE 36 -3.584 -0.450 8.412 272 1HG1 ILE 36 1HG1 ILE 36 -1.658 -1.679 10.395 273 2HG1 ILE 36 2HG1 ILE 36 -3.400 -1.936 10.363 274 1HG2 ILE 36 1HG2 ILE 36 -0.950 0.726 8.617 275 2HG2 ILE 36 2HG2 ILE 36 -1.862 0.222 7.193 276 3HG2 ILE 36 3HG2 ILE 36 -0.893 -0.954 8.082 277 1HD1 ILE 36 1HD1 ILE 36 -2.367 -3.821 9.367 278 2HD1 ILE 36 2HD1 ILE 36 -1.383 -2.802 8.316 279 3HD1 ILE 36 3HD1 ILE 36 -3.128 -2.892 8.076 280 H ALA 37 H ALA 37 -5.029 2.008 9.391 281 HA ALA 37 HA ALA 37 -4.192 3.693 7.404 282 1HB ALA 37 1HB ALA 37 -6.203 4.740 7.602 283 2HB ALA 37 2HB ALA 37 -6.121 4.815 9.362 284 3HB ALA 37 3HB ALA 37 -6.540 3.299 8.562 285 HA PRO 38 HA PRO 38 -2.940 7.060 10.614 286 1HB PRO 38 1HB PRO 38 -2.391 6.252 13.149 287 2HB PRO 38 2HB PRO 38 -3.998 6.793 12.637 288 1HG PRO 38 1HG PRO 38 -2.970 4.027 13.062 289 2HG PRO 38 2HG PRO 38 -4.574 4.697 13.402 290 1HD PRO 38 1HD PRO 38 -3.961 3.157 11.214 291 2HD PRO 38 2HD PRO 38 -5.313 4.289 11.276 292 H MET 39 H MET 39 -1.631 3.814 11.111 293 HA MET 39 HA MET 39 1.045 4.616 11.603 294 1HB MET 39 1HB MET 39 0.235 2.360 12.140 295 2HB MET 39 2HB MET 39 -0.023 2.028 10.441 296 1HG MET 39 1HG MET 39 2.359 2.253 10.065 297 2HG MET 39 2HG MET 39 2.614 2.567 11.772 298 1HE MET 39 1HE MET 39 4.189 0.390 10.186 299 2HE MET 39 2HE MET 39 4.095 -1.045 11.208 300 3HE MET 39 3HE MET 39 4.413 0.533 11.929 301 H ILE 40 H ILE 40 -0.626 3.459 8.692 302 HA ILE 40 HA ILE 40 1.388 3.644 6.822 303 HB ILE 40 HB ILE 40 -1.554 4.304 6.521 304 1HG1 ILE 40 1HG1 ILE 40 0.020 1.812 5.846 305 2HG1 ILE 40 2HG1 ILE 40 -1.070 2.011 7.211 306 1HG2 ILE 40 1HG2 ILE 40 -1.090 5.083 4.485 307 2HG2 ILE 40 2HG2 ILE 40 -0.566 3.457 4.048 308 3HG2 ILE 40 3HG2 ILE 40 0.610 4.635 4.634 309 1HD1 ILE 40 1HD1 ILE 40 -2.855 1.536 5.970 310 2HD1 ILE 40 2HD1 ILE 40 -1.720 1.011 4.727 311 3HD1 ILE 40 3HD1 ILE 40 -2.355 2.654 4.702 312 H GLU 41 H GLU 41 -0.385 6.185 8.402 313 HA GLU 41 HA GLU 41 0.423 8.274 6.607 314 1HB GLU 41 1HB GLU 41 -1.664 8.414 7.885 315 2HB GLU 41 2HB GLU 41 -0.756 8.394 9.390 316 1HG GLU 41 1HG GLU 41 0.302 10.519 8.760 317 2HG GLU 41 2HG GLU 41 -0.653 10.540 7.278 318 H LYS 42 H LYS 42 1.579 6.911 9.616 319 HA LYS 42 HA LYS 42 3.368 8.961 10.336 320 1HB LYS 42 1HB LYS 42 3.419 6.002 10.947 321 2HB LYS 42 2HB LYS 42 4.468 7.192 11.708 322 1HG LYS 42 1HG LYS 42 2.574 8.300 12.694 323 2HG LYS 42 2HG LYS 42 1.461 7.241 11.829 324 1HD LYS 42 1HD LYS 42 1.657 6.496 14.114 325 2HD LYS 42 2HD LYS 42 2.410 5.309 13.049 326 1HE LYS 42 1HE LYS 42 3.954 7.459 14.482 327 2HE LYS 42 2HE LYS 42 3.672 5.860 15.164 328 1HZ LYS 42 1HZ LYS 42 5.572 6.682 13.198 329 2HZ LYS 42 2HZ LYS 42 4.644 5.377 12.653 330 3HZ LYS 42 3HZ LYS 42 5.507 5.253 14.101 331 H PHE 43 H PHE 43 3.548 6.514 7.910 332 HA PHE 43 HA PHE 43 6.438 6.725 7.663 333 1HB PHE 43 1HB PHE 43 4.395 5.103 6.134 334 2HB PHE 43 2HB PHE 43 6.126 5.075 5.802 335 HD1 PHE 43 HD1 PHE 43 3.910 4.805 8.794 336 HD2 PHE 43 HD2 PHE 43 7.247 3.273 6.647 337 HE1 PHE 43 HE1 PHE 43 4.201 3.060 10.504 338 HE2 PHE 43 HE2 PHE 43 7.546 1.523 8.353 339 HZ PHE 43 HZ PHE 43 6.021 1.415 10.284 340 H SER 44 H SER 44 3.666 8.239 6.381 341 HA SER 44 HA SER 44 4.761 8.930 3.830 342 1HB SER 44 1HB SER 44 2.336 8.855 4.179 343 2HB SER 44 2HB SER 44 2.460 10.163 5.369 344 HG SER 44 HG SER 44 2.316 11.472 3.747 345 H GLU 45 H GLU 45 5.530 9.938 6.915 346 HA GLU 45 HA GLU 45 6.105 12.698 6.194 347 1HB GLU 45 1HB GLU 45 5.217 12.231 8.425 348 2HB GLU 45 2HB GLU 45 6.585 11.179 8.764 349 1HG GLU 45 1HG GLU 45 8.097 13.088 8.588 350 2HG GLU 45 2HG GLU 45 6.726 14.141 8.248 351 H GLN 46 H GLN 46 7.741 9.650 6.585 352 HA GLN 46 HA GLN 46 10.371 10.881 6.461 353 1HB GLN 46 1HB GLN 46 9.501 7.998 6.665 354 2HB GLN 46 2HB GLN 46 11.181 8.524 6.624 355 1HG GLN 46 1HG GLN 46 10.828 9.811 8.662 356 2HG GLN 46 2HG GLN 46 9.147 9.282 8.703 357 1HE2 GLN 46 1HE2 GLN 46 8.780 7.711 10.077 358 2HE2 GLN 46 2HE2 GLN 46 9.898 6.449 10.520 359 H TYR 47 H TYR 47 8.108 9.292 4.356 360 HA TYR 47 HA TYR 47 10.094 9.469 2.185 361 1HB TYR 47 1HB TYR 47 7.904 7.414 2.524 362 2HB TYR 47 2HB TYR 47 8.980 7.536 1.134 363 HD1 TYR 47 HD1 TYR 47 11.520 7.355 1.618 364 HD2 TYR 47 HD2 TYR 47 8.502 6.104 4.338 365 HE1 TYR 47 HE1 TYR 47 13.161 5.932 2.772 366 HE2 TYR 47 HE2 TYR 47 10.132 4.664 5.496 367 HH TYR 47 HH TYR 47 13.096 4.918 5.540 368 HA PRO 48 HA PRO 48 6.090 12.224 1.782 369 1HB PRO 48 1HB PRO 48 8.416 13.827 0.809 370 2HB PRO 48 2HB PRO 48 6.942 14.372 1.617 371 1HG PRO 48 1HG PRO 48 9.269 14.078 2.940 372 2HG PRO 48 2HG PRO 48 7.701 13.770 3.704 373 1HD PRO 48 1HD PRO 48 9.807 11.868 2.946 374 2HD PRO 48 2HD PRO 48 8.432 11.651 4.050 375 H GLN 49 H GLN 49 8.900 11.793 -0.315 376 HA GLN 49 HA GLN 49 7.692 12.405 -2.749 377 1HB GLN 49 1HB GLN 49 9.898 10.399 -2.241 378 2HB GLN 49 2HB GLN 49 9.487 11.086 -3.810 379 1HG GLN 49 1HG GLN 49 10.498 12.613 -1.418 380 2HG GLN 49 2HG GLN 49 11.438 12.166 -2.840 381 1HE2 GLN 49 1HE2 GLN 49 9.869 14.635 -1.416 382 2HE2 GLN 49 2HE2 GLN 49 9.477 15.588 -2.803 383 H ALA 50 H ALA 50 7.590 9.483 -0.849 384 HA ALA 50 HA ALA 50 6.279 7.988 -2.970 385 1HB ALA 50 1HB ALA 50 7.565 6.477 -1.879 386 2HB ALA 50 2HB ALA 50 6.126 6.335 -0.869 387 3HB ALA 50 3HB ALA 50 7.475 7.343 -0.344 388 H ASP 51 H ASP 51 4.142 7.635 -3.122 389 HA ASP 51 HA ASP 51 2.405 9.050 -1.267 390 1HB ASP 51 1HB ASP 51 1.764 7.588 -3.838 391 2HB ASP 51 2HB ASP 51 0.622 8.542 -2.896 392 H PHE 52 H PHE 52 1.458 8.083 0.383 393 HA PHE 52 HA PHE 52 1.428 5.165 0.473 394 1HB PHE 52 1HB PHE 52 0.994 7.240 2.628 395 2HB PHE 52 2HB PHE 52 0.871 5.495 2.891 396 HD1 PHE 52 HD1 PHE 52 3.275 7.895 1.326 397 HD2 PHE 52 HD2 PHE 52 2.701 4.502 3.830 398 HE1 PHE 52 HE1 PHE 52 5.700 7.788 1.731 399 HE2 PHE 52 HE2 PHE 52 5.123 4.390 4.240 400 HZ PHE 52 HZ PHE 52 6.626 6.035 3.190 401 H TYR 53 H TYR 53 -0.304 4.364 -0.510 402 HA TYR 53 HA TYR 53 -2.941 5.463 0.197 403 1HB TYR 53 1HB TYR 53 -1.936 4.178 -2.328 404 2HB TYR 53 2HB TYR 53 -3.656 4.205 -1.950 405 HD1 TYR 53 HD1 TYR 53 -4.549 6.617 -1.246 406 HD2 TYR 53 HD2 TYR 53 -1.103 5.892 -3.630 407 HE1 TYR 53 HE1 TYR 53 -4.736 8.878 -2.191 408 HE2 TYR 53 HE2 TYR 53 -1.274 8.153 -4.579 409 HH TYR 53 HH TYR 53 -2.238 10.299 -4.066 410 H LYS 54 H LYS 54 -4.638 3.519 -0.379 411 HA LYS 54 HA LYS 54 -3.655 1.026 0.763 412 1HB LYS 54 1HB LYS 54 -6.010 2.493 1.948 413 2HB LYS 54 2HB LYS 54 -5.353 0.952 2.481 414 1HG LYS 54 1HG LYS 54 -3.329 1.996 3.218 415 2HG LYS 54 2HG LYS 54 -3.834 3.547 2.545 416 1HD LYS 54 1HD LYS 54 -5.277 2.073 4.747 417 2HD LYS 54 2HD LYS 54 -4.146 3.400 4.999 418 1HE LYS 54 1HE LYS 54 -5.573 4.904 3.758 419 2HE LYS 54 2HE LYS 54 -6.670 3.585 3.364 420 1HZ LYS 54 1HZ LYS 54 -6.545 5.188 5.718 421 2HZ LYS 54 2HZ LYS 54 -6.493 3.539 6.092 422 3HZ LYS 54 3HZ LYS 54 -7.777 4.160 5.183 423 H LEU 55 H LEU 55 -4.537 -0.694 -0.164 424 HA LEU 55 HA LEU 55 -6.668 -0.287 -2.102 425 1HB LEU 55 1HB LEU 55 -4.547 -1.538 -2.632 426 2HB LEU 55 2HB LEU 55 -5.082 -2.788 -1.530 427 HG LEU 55 HG LEU 55 -5.489 -3.301 -3.935 428 1HD1 LEU 55 1HD1 LEU 55 -7.028 -3.874 -1.774 429 2HD1 LEU 55 2HD1 LEU 55 -7.261 -4.554 -3.385 430 3HD1 LEU 55 3HD1 LEU 55 -8.213 -3.162 -2.867 431 1HD2 LEU 55 1HD2 LEU 55 -7.634 -1.198 -3.775 432 2HD2 LEU 55 2HD2 LEU 55 -7.151 -2.152 -5.177 433 3HD2 LEU 55 3HD2 LEU 55 -6.063 -0.926 -4.529 434 H ASP 56 H ASP 56 -8.679 -1.164 -1.978 435 HA ASP 56 HA ASP 56 -9.435 -2.240 0.625 436 1HB ASP 56 1HB ASP 56 -10.661 -0.301 -0.503 437 2HB ASP 56 2HB ASP 56 -11.307 -1.503 -1.622 438 H VAL 57 H VAL 57 -9.266 -4.385 0.805 439 HA VAL 57 HA VAL 57 -9.489 -6.171 -1.409 440 HB VAL 57 HB VAL 57 -9.493 -6.744 1.568 441 1HG1 VAL 57 1HG1 VAL 57 -9.406 -8.567 -0.826 442 2HG1 VAL 57 2HG1 VAL 57 -10.449 -8.656 0.593 443 3HG1 VAL 57 3HG1 VAL 57 -8.734 -9.050 0.733 444 1HG2 VAL 57 1HG2 VAL 57 -7.453 -5.652 0.641 445 2HG2 VAL 57 2HG2 VAL 57 -7.268 -7.019 -0.459 446 3HG2 VAL 57 3HG2 VAL 57 -7.160 -7.267 1.285 447 H ASP 58 H ASP 58 -11.770 -4.552 0.458 448 HA ASP 58 HA ASP 58 -13.839 -6.583 0.263 449 1HB ASP 58 1HB ASP 58 -13.645 -5.078 2.257 450 2HB ASP 58 2HB ASP 58 -14.046 -3.718 1.218 451 H GLU 59 H GLU 59 -13.023 -3.433 -1.097 452 HA GLU 59 HA GLU 59 -15.312 -3.533 -2.897 453 1HB GLU 59 1HB GLU 59 -14.735 -1.420 -1.732 454 2HB GLU 59 2HB GLU 59 -13.189 -1.398 -2.575 455 1HG GLU 59 1HG GLU 59 -14.718 0.096 -3.662 456 2HG GLU 59 2HG GLU 59 -14.400 -1.278 -4.720 457 H LEU 60 H LEU 60 -11.766 -3.333 -3.071 458 HA LEU 60 HA LEU 60 -11.905 -4.050 -5.914 459 1HB LEU 60 1HB LEU 60 -9.632 -2.968 -4.251 460 2HB LEU 60 2HB LEU 60 -9.476 -3.448 -5.927 461 HG LEU 60 HG LEU 60 -11.141 -1.716 -6.548 462 1HD1 LEU 60 1HD1 LEU 60 -12.479 -1.167 -4.813 463 2HD1 LEU 60 2HD1 LEU 60 -11.253 0.078 -4.579 464 3HD1 LEU 60 3HD1 LEU 60 -11.207 -1.395 -3.612 465 1HD2 LEU 60 1HD2 LEU 60 -8.566 -1.412 -6.358 466 2HD2 LEU 60 2HD2 LEU 60 -8.973 -0.370 -4.994 467 3HD2 LEU 60 3HD2 LEU 60 -9.596 -0.002 -6.602 468 H GLY 61 H GLY 61 -12.564 -6.119 -4.273 469 1HA GLY 61 1HA GLY 61 -10.501 -7.739 -3.325 470 2HA GLY 61 2HA GLY 61 -12.061 -8.324 -3.883 471 H ASP 62 H ASP 62 -11.397 -7.020 -6.573 472 HA ASP 62 HA ASP 62 -10.357 -9.359 -7.792 473 1HB ASP 62 1HB ASP 62 -10.838 -6.643 -8.937 474 2HB ASP 62 2HB ASP 62 -10.489 -8.077 -9.882 475 H VAL 63 H VAL 63 -8.930 -6.421 -6.641 476 HA VAL 63 HA VAL 63 -6.516 -6.695 -8.190 477 HB VAL 63 HB VAL 63 -6.852 -4.978 -5.733 478 1HG1 VAL 63 1HG1 VAL 63 -5.298 -4.081 -8.068 479 2HG1 VAL 63 2HG1 VAL 63 -4.637 -5.465 -7.196 480 3HG1 VAL 63 3HG1 VAL 63 -4.942 -3.949 -6.346 481 1HG2 VAL 63 1HG2 VAL 63 -7.521 -4.189 -8.565 482 2HG2 VAL 63 2HG2 VAL 63 -7.682 -3.199 -7.113 483 3HG2 VAL 63 3HG2 VAL 63 -8.719 -4.607 -7.340 484 H ALA 64 H ALA 64 -7.349 -7.075 -4.735 485 HA ALA 64 HA ALA 64 -4.868 -8.001 -3.815 486 1HB ALA 64 1HB ALA 64 -6.917 -9.377 -2.412 487 2HB ALA 64 2HB ALA 64 -7.513 -7.762 -2.793 488 3HB ALA 64 3HB ALA 64 -6.001 -7.958 -1.907 489 H GLN 65 H GLN 65 -7.371 -9.568 -5.649 490 HA GLN 65 HA GLN 65 -6.231 -12.217 -5.269 491 1HB GLN 65 1HB GLN 65 -8.668 -11.983 -5.325 492 2HB GLN 65 2HB GLN 65 -8.576 -11.284 -6.935 493 1HG GLN 65 1HG GLN 65 -7.677 -13.384 -7.797 494 2HG GLN 65 2HG GLN 65 -7.769 -14.085 -6.182 495 1HE2 GLN 65 1HE2 GLN 65 -9.446 -15.351 -5.908 496 2HE2 GLN 65 2HE2 GLN 65 -10.996 -15.177 -6.650 497 H LYS 66 H LYS 66 -6.199 -9.611 -7.568 498 HA LYS 66 HA LYS 66 -5.314 -11.110 -9.805 499 1HB LYS 66 1HB LYS 66 -6.025 -9.175 -10.670 500 2HB LYS 66 2HB LYS 66 -5.866 -8.351 -9.134 501 1HG LYS 66 1HG LYS 66 -4.499 -7.234 -10.715 502 2HG LYS 66 2HG LYS 66 -3.444 -8.090 -9.593 503 1HD LYS 66 1HD LYS 66 -3.186 -9.903 -11.234 504 2HD LYS 66 2HD LYS 66 -4.234 -9.030 -12.352 505 1HE LYS 66 1HE LYS 66 -1.890 -8.695 -12.917 506 2HE LYS 66 2HE LYS 66 -2.635 -7.182 -12.407 507 1HZ LYS 66 1HZ LYS 66 -1.007 -8.916 -10.631 508 2HZ LYS 66 2HZ LYS 66 -1.604 -7.374 -10.276 509 3HZ LYS 66 3HZ LYS 66 -0.404 -7.565 -11.454 510 H ASN 67 H ASN 67 -3.656 -9.035 -7.440 511 HA ASN 67 HA ASN 67 -1.054 -9.689 -8.410 512 1HB ASN 67 1HB ASN 67 -2.009 -8.316 -5.889 513 2HB ASN 67 2HB ASN 67 -0.321 -8.445 -6.385 514 1HD2 ASN 67 1HD2 ASN 67 -2.890 -6.453 -6.335 515 2HD2 ASN 67 2HD2 ASN 67 -2.505 -5.428 -7.692 516 H GLU 68 H GLU 68 -3.269 -11.462 -6.723 517 HA GLU 68 HA GLU 68 -3.178 -13.422 -5.596 518 1HB GLU 68 1HB GLU 68 -0.209 -13.300 -6.164 519 2HB GLU 68 2HB GLU 68 -1.089 -14.710 -5.594 520 1HG GLU 68 1HG GLU 68 -2.387 -14.750 -7.652 521 2HG GLU 68 2HG GLU 68 -1.530 -13.319 -8.226 522 H VAL 69 H VAL 69 -3.132 -10.994 -4.150 523 HA VAL 69 HA VAL 69 -1.424 -11.705 -1.853 524 HB VAL 69 HB VAL 69 -2.646 -9.018 -2.485 525 1HG1 VAL 69 1HG1 VAL 69 -0.575 -9.729 -0.416 526 2HG1 VAL 69 2HG1 VAL 69 -2.296 -9.550 -0.073 527 3HG1 VAL 69 3HG1 VAL 69 -1.367 -8.172 -0.657 528 1HG2 VAL 69 1HG2 VAL 69 -0.000 -8.600 -2.628 529 2HG2 VAL 69 2HG2 VAL 69 -0.990 -9.008 -4.028 530 3HG2 VAL 69 3HG2 VAL 69 -0.067 -10.264 -3.205 531 H SER 70 H SER 70 -2.974 -13.241 -1.096 532 HA SER 70 HA SER 70 -5.564 -12.194 -0.261 533 1HB SER 70 1HB SER 70 -6.099 -14.526 0.316 534 2HB SER 70 2HB SER 70 -5.517 -14.392 -1.353 535 HG SER 70 HG SER 70 -3.486 -15.118 -0.633 536 H ALA 71 H ALA 71 -2.581 -12.047 1.004 537 HA ALA 71 HA ALA 71 -2.801 -13.036 3.612 538 1HB ALA 71 1HB ALA 71 -1.248 -10.672 3.693 539 2HB ALA 71 2HB ALA 71 -0.961 -11.439 2.132 540 3HB ALA 71 3HB ALA 71 -0.691 -12.343 3.620 541 H MET 72 H MET 72 -2.321 -10.803 5.291 542 HA MET 72 HA MET 72 -4.314 -8.832 5.041 543 1HB MET 72 1HB MET 72 -5.911 -9.571 6.715 544 2HB MET 72 2HB MET 72 -5.840 -10.690 5.364 545 1HG MET 72 1HG MET 72 -4.444 -11.096 7.990 546 2HG MET 72 2HG MET 72 -6.005 -11.781 7.570 547 1HE MET 72 1HE MET 72 -3.279 -13.687 8.437 548 2HE MET 72 2HE MET 72 -3.948 -14.987 7.452 549 3HE MET 72 3HE MET 72 -5.023 -13.943 8.382 550 HA PRO 73 HA PRO 73 -3.564 -7.186 4.888 551 1HB PRO 73 1HB PRO 73 -2.152 -4.993 5.173 552 2HB PRO 73 2HB PRO 73 -3.516 -5.284 6.274 553 1HG PRO 73 1HG PRO 73 -0.587 -5.742 6.732 554 2HG PRO 73 2HG PRO 73 -1.767 -4.959 7.793 555 1HD PRO 73 1HD PRO 73 -0.989 -7.610 7.986 556 2HD PRO 73 2HD PRO 73 -2.510 -6.949 8.627 557 H THR 74 H THR 74 -1.694 -5.711 3.515 558 HA THR 74 HA THR 74 0.792 -7.159 3.283 559 HB THR 74 HB THR 74 -1.104 -7.137 0.929 560 HG1 THR 74 HG1 THR 74 -0.619 -9.028 2.910 561 1HG2 THR 74 1HG2 THR 74 1.008 -9.050 0.754 562 2HG2 THR 74 2HG2 THR 74 1.681 -7.446 1.022 563 3HG2 THR 74 3HG2 THR 74 0.604 -7.730 -0.342 564 H LEU 75 H LEU 75 2.358 -6.037 2.069 565 HA LEU 75 HA LEU 75 1.590 -3.274 1.405 566 1HB LEU 75 1HB LEU 75 4.306 -4.365 2.133 567 2HB LEU 75 2HB LEU 75 3.929 -2.686 1.803 568 HG LEU 75 HG LEU 75 2.879 -4.304 4.125 569 1HD1 LEU 75 1HD1 LEU 75 4.951 -3.850 4.877 570 2HD1 LEU 75 2HD1 LEU 75 4.249 -2.267 5.208 571 3HD1 LEU 75 3HD1 LEU 75 5.193 -2.526 3.740 572 1HD2 LEU 75 1HD2 LEU 75 2.324 -1.776 4.773 573 2HD2 LEU 75 2HD2 LEU 75 1.187 -2.806 3.902 574 3HD2 LEU 75 3HD2 LEU 75 2.181 -1.647 3.020 575 H LEU 76 H LEU 76 1.678 -2.654 -0.647 576 HA LEU 76 HA LEU 76 3.362 -4.195 -2.510 577 1HB LEU 76 1HB LEU 76 0.642 -2.974 -2.995 578 2HB LEU 76 2HB LEU 76 1.673 -3.613 -4.274 579 HG LEU 76 HG LEU 76 0.285 -5.121 -2.069 580 1HD1 LEU 76 1HD1 LEU 76 -1.140 -5.743 -3.651 581 2HD1 LEU 76 2HD1 LEU 76 0.168 -6.204 -4.742 582 3HD1 LEU 76 3HD1 LEU 76 -0.397 -4.534 -4.697 583 1HD2 LEU 76 1HD2 LEU 76 2.617 -5.961 -3.759 584 2HD2 LEU 76 2HD2 LEU 76 1.456 -7.137 -3.145 585 3HD2 LEU 76 3HD2 LEU 76 2.384 -6.145 -2.021 586 H LEU 77 H LEU 77 4.848 -3.067 -3.583 587 HA LEU 77 HA LEU 77 4.653 -0.130 -3.534 588 1HB LEU 77 1HB LEU 77 7.076 -1.920 -3.706 589 2HB LEU 77 2HB LEU 77 7.129 -0.174 -3.843 590 HG LEU 77 HG LEU 77 6.218 0.002 -1.540 591 1HD1 LEU 77 1HD1 LEU 77 6.253 -2.966 -1.789 592 2HD1 LEU 77 2HD1 LEU 77 5.047 -1.909 -1.054 593 3HD1 LEU 77 3HD1 LEU 77 6.566 -2.229 -0.217 594 1HD2 LEU 77 1HD2 LEU 77 8.687 -1.709 -1.572 595 2HD2 LEU 77 2HD2 LEU 77 8.265 -0.412 -0.453 596 3HD2 LEU 77 3HD2 LEU 77 8.683 -0.034 -2.124 597 H PHE 78 H PHE 78 4.889 1.048 -5.377 598 HA PHE 78 HA PHE 78 5.417 -0.358 -7.900 599 1HB PHE 78 1HB PHE 78 3.065 1.503 -7.483 600 2HB PHE 78 2HB PHE 78 3.461 0.614 -8.950 601 HD1 PHE 78 HD1 PHE 78 3.516 -1.974 -8.742 602 HD2 PHE 78 HD2 PHE 78 1.586 0.601 -5.958 603 HE1 PHE 78 HE1 PHE 78 2.139 -3.859 -7.959 604 HE2 PHE 78 HE2 PHE 78 0.207 -1.278 -5.171 605 HZ PHE 78 HZ PHE 78 0.478 -3.508 -6.170 606 H LYS 79 H LYS 79 6.862 0.776 -9.115 607 HA LYS 79 HA LYS 79 7.156 3.653 -8.509 608 1HB LYS 79 1HB LYS 79 9.143 1.588 -9.411 609 2HB LYS 79 2HB LYS 79 9.449 3.303 -9.652 610 1HG LYS 79 1HG LYS 79 9.300 3.689 -7.260 611 2HG LYS 79 2HG LYS 79 8.925 1.989 -6.992 612 1HD LYS 79 1HD LYS 79 11.276 2.449 -6.530 613 2HD LYS 79 2HD LYS 79 11.105 1.361 -7.909 614 1HE LYS 79 1HE LYS 79 11.429 3.243 -9.435 615 2HE LYS 79 2HE LYS 79 11.587 4.336 -8.060 616 1HZ LYS 79 1HZ LYS 79 13.440 2.211 -8.942 617 2HZ LYS 79 2HZ LYS 79 13.495 2.821 -7.366 618 3HZ LYS 79 3HZ LYS 79 13.761 3.851 -8.680 619 H ASN 80 H ASN 80 6.749 5.127 -10.038 620 HA ASN 80 HA ASN 80 5.921 5.971 -11.991 621 1HB ASN 80 1HB ASN 80 8.368 5.797 -12.414 622 2HB ASN 80 2HB ASN 80 8.093 4.237 -13.179 623 1HD2 ASN 80 1HD2 ASN 80 8.582 7.400 -13.773 624 2HD2 ASN 80 2HD2 ASN 80 7.835 7.538 -15.324 625 H GLY 81 H GLY 81 4.058 4.363 -11.408 626 1HA GLY 81 1HA GLY 81 2.383 3.003 -12.152 627 2HA GLY 81 2HA GLY 81 2.887 3.494 -13.763 628 H LYS 82 H LYS 82 5.249 1.860 -11.879 629 HA LYS 82 HA LYS 82 4.736 -0.613 -13.396 630 1HB LYS 82 1HB LYS 82 7.396 0.476 -12.450 631 2HB LYS 82 2HB LYS 82 7.159 -1.028 -13.323 632 1HG LYS 82 1HG LYS 82 6.330 0.210 -15.252 633 2HG LYS 82 2HG LYS 82 6.573 1.723 -14.381 634 1HD LYS 82 1HD LYS 82 8.969 1.254 -14.229 635 2HD LYS 82 2HD LYS 82 8.725 -0.267 -15.091 636 1HE LYS 82 1HE LYS 82 9.551 1.468 -16.591 637 2HE LYS 82 2HE LYS 82 7.926 0.960 -17.043 638 1HZ LYS 82 1HZ LYS 82 7.904 3.159 -15.215 639 2HZ LYS 82 2HZ LYS 82 7.148 3.002 -16.720 640 3HZ LYS 82 3HZ LYS 82 8.752 3.526 -16.632 641 H GLU 83 H GLU 83 6.754 -2.062 -11.922 642 HA GLU 83 HA GLU 83 5.286 -2.423 -9.405 643 1HB GLU 83 1HB GLU 83 5.220 -4.343 -10.944 644 2HB GLU 83 2HB GLU 83 6.976 -4.377 -10.985 645 1HG GLU 83 1HG GLU 83 7.080 -5.042 -8.689 646 2HG GLU 83 2HG GLU 83 5.341 -4.817 -8.497 647 H VAL 84 H VAL 84 6.780 -3.473 -7.664 648 HA VAL 84 HA VAL 84 9.490 -2.449 -7.736 649 HB VAL 84 HB VAL 84 7.623 -1.690 -5.573 650 1HG1 VAL 84 1HG1 VAL 84 9.496 -0.271 -4.793 651 2HG1 VAL 84 2HG1 VAL 84 10.513 -1.027 -6.019 652 3HG1 VAL 84 3HG1 VAL 84 9.840 -1.999 -4.711 653 1HG2 VAL 84 1HG2 VAL 84 8.885 0.098 -7.620 654 2HG2 VAL 84 2HG2 VAL 84 7.714 0.553 -6.385 655 3HG2 VAL 84 3HG2 VAL 84 7.231 -0.498 -7.708 656 H ALA 85 H ALA 85 7.259 -3.607 -5.235 657 HA ALA 85 HA ALA 85 8.433 -6.182 -5.051 658 1HB ALA 85 1HB ALA 85 9.617 -5.994 -2.960 659 2HB ALA 85 2HB ALA 85 9.212 -4.281 -2.843 660 3HB ALA 85 3HB ALA 85 10.293 -4.847 -4.116 661 H LYS 86 H LYS 86 7.473 -7.495 -3.406 662 HA LYS 86 HA LYS 86 5.002 -6.330 -2.304 663 1HB LYS 86 1HB LYS 86 4.042 -8.604 -2.417 664 2HB LYS 86 2HB LYS 86 4.498 -7.987 -3.999 665 1HG LYS 86 1HG LYS 86 6.558 -9.318 -3.911 666 2HG LYS 86 2HG LYS 86 6.058 -9.962 -2.346 667 1HD LYS 86 1HD LYS 86 4.060 -10.923 -3.377 668 2HD LYS 86 2HD LYS 86 4.554 -10.274 -4.943 669 1HE LYS 86 1HE LYS 86 6.586 -11.637 -4.862 670 2HE LYS 86 2HE LYS 86 6.087 -12.286 -3.299 671 1HZ LYS 86 1HZ LYS 86 4.540 -13.616 -4.240 672 2HZ LYS 86 2HZ LYS 86 5.574 -13.509 -5.574 673 3HZ LYS 86 3HZ LYS 86 4.190 -12.539 -5.499 674 H VAL 87 H VAL 87 5.118 -6.039 -0.188 675 HA VAL 87 HA VAL 87 6.644 -7.988 1.414 676 HB VAL 87 HB VAL 87 6.215 -5.064 2.044 677 1HG1 VAL 87 1HG1 VAL 87 8.020 -5.563 3.757 678 2HG1 VAL 87 2HG1 VAL 87 7.686 -7.268 3.462 679 3HG1 VAL 87 3HG1 VAL 87 6.416 -6.218 4.088 680 1HG2 VAL 87 1HG2 VAL 87 8.333 -6.503 0.580 681 2HG2 VAL 87 2HG2 VAL 87 8.879 -5.323 1.770 682 3HG2 VAL 87 3HG2 VAL 87 7.808 -4.823 0.462 683 H VAL 88 H VAL 88 4.703 -9.244 1.643 684 HA VAL 88 HA VAL 88 2.296 -8.269 2.703 685 HB VAL 88 HB VAL 88 2.288 -10.424 1.677 686 1HG1 VAL 88 1HG1 VAL 88 3.518 -12.279 3.193 687 2HG1 VAL 88 2HG1 VAL 88 4.587 -10.904 3.470 688 3HG1 VAL 88 3HG1 VAL 88 4.287 -11.474 1.827 689 1HG2 VAL 88 1HG2 VAL 88 1.157 -11.772 3.307 690 2HG2 VAL 88 2HG2 VAL 88 0.756 -10.083 3.615 691 3HG2 VAL 88 3HG2 VAL 88 1.933 -10.910 4.634 692 H GLY 89 H GLY 89 2.887 -6.824 4.381 693 1HA GLY 89 1HA GLY 89 2.455 -7.230 6.891 694 2HA GLY 89 2HA GLY 89 3.998 -8.066 6.807 695 H ALA 90 H ALA 90 2.540 -5.189 7.545 696 HA ALA 90 HA ALA 90 4.840 -3.530 6.812 697 1HB ALA 90 1HB ALA 90 2.509 -2.400 8.266 698 2HB ALA 90 2HB ALA 90 2.270 -2.927 6.598 699 3HB ALA 90 3HB ALA 90 3.486 -1.704 6.972 700 H ASN 91 H ASN 91 5.277 -5.511 8.770 701 HA ASN 91 HA ASN 91 5.094 -4.453 11.399 702 1HB ASN 91 1HB ASN 91 5.342 -6.860 10.983 703 2HB ASN 91 2HB ASN 91 6.938 -6.583 10.291 704 1HD2 ASN 91 1HD2 ASN 91 8.520 -7.072 11.609 705 2HD2 ASN 91 2HD2 ASN 91 8.503 -6.925 13.330 706 HA PRO 92 HA PRO 92 8.178 -1.244 11.276 707 1HB PRO 92 1HB PRO 92 8.628 -2.294 14.045 708 2HB PRO 92 2HB PRO 92 8.495 -0.620 13.488 709 1HG PRO 92 1HG PRO 92 6.428 -1.766 14.667 710 2HG PRO 92 2HG PRO 92 6.184 -0.753 13.229 711 1HD PRO 92 1HD PRO 92 6.108 -3.724 13.488 712 2HD PRO 92 2HD PRO 92 5.153 -2.655 12.438 713 H ALA 93 H ALA 93 9.552 -2.381 9.778 714 HA ALA 93 HA ALA 93 12.142 -2.806 10.617 715 1HB ALA 93 1HB ALA 93 10.473 -5.269 10.739 716 2HB ALA 93 2HB ALA 93 11.789 -4.742 11.789 717 3HB ALA 93 3HB ALA 93 12.144 -5.400 10.191 718 H ALA 94 H ALA 94 9.631 -3.717 8.324 719 HA ALA 94 HA ALA 94 11.655 -3.580 6.192 720 1HB ALA 94 1HB ALA 94 10.075 -5.069 4.882 721 2HB ALA 94 2HB ALA 94 9.241 -5.352 6.409 722 3HB ALA 94 3HB ALA 94 10.931 -5.821 6.228 723 H ILE 95 H ILE 95 8.244 -2.935 6.961 724 HA ILE 95 HA ILE 95 7.487 -1.684 4.629 725 HB ILE 95 HB ILE 95 5.874 -2.104 6.347 726 1HG1 ILE 95 1HG1 ILE 95 4.668 -0.006 6.432 727 2HG1 ILE 95 2HG1 ILE 95 6.137 0.898 6.086 728 1HG2 ILE 95 1HG2 ILE 95 6.029 -0.333 8.350 729 2HG2 ILE 95 2HG2 ILE 95 7.745 -0.546 8.007 730 3HG2 ILE 95 3HG2 ILE 95 6.748 -1.941 8.419 731 1HD1 ILE 95 1HD1 ILE 95 6.018 -0.755 3.940 732 2HD1 ILE 95 2HD1 ILE 95 5.360 0.878 3.990 733 3HD1 ILE 95 3HD1 ILE 95 4.307 -0.503 4.284 734 H LYS 96 H LYS 96 9.856 -0.638 6.882 735 HA LYS 96 HA LYS 96 9.691 2.144 6.013 736 1HB LYS 96 1HB LYS 96 11.494 2.551 7.645 737 2HB LYS 96 2HB LYS 96 10.091 1.786 8.376 738 1HG LYS 96 1HG LYS 96 11.233 -0.368 8.337 739 2HG LYS 96 2HG LYS 96 12.633 0.387 7.578 740 1HD LYS 96 1HD LYS 96 12.945 0.089 9.997 741 2HD LYS 96 2HD LYS 96 12.978 1.788 9.527 742 1HE LYS 96 1HE LYS 96 11.686 1.505 11.559 743 2HE LYS 96 2HE LYS 96 10.638 2.015 10.237 744 1HZ LYS 96 1HZ LYS 96 9.446 0.325 11.221 745 2HZ LYS 96 2HZ LYS 96 10.814 -0.613 11.550 746 3HZ LYS 96 3HZ LYS 96 10.227 -0.500 9.968 747 H GLN 97 H GLN 97 12.022 -0.531 5.990 748 HA GLN 97 HA GLN 97 13.941 0.836 4.401 749 1HB GLN 97 1HB GLN 97 13.566 -2.136 4.825 750 2HB GLN 97 2HB GLN 97 15.004 -1.365 4.169 751 1HG GLN 97 1HG GLN 97 15.379 -0.228 6.286 752 2HG GLN 97 2HG GLN 97 13.919 -0.962 6.947 753 1HE2 GLN 97 1HE2 GLN 97 17.154 -1.170 6.962 754 2HE2 GLN 97 2HE2 GLN 97 17.354 -2.851 7.307 755 H ALA 98 H ALA 98 11.169 -1.169 3.724 756 HA ALA 98 HA ALA 98 11.736 -1.773 1.031 757 1HB ALA 98 1HB ALA 98 9.058 -1.809 1.032 758 2HB ALA 98 2HB ALA 98 9.351 -1.855 2.771 759 3HB ALA 98 3HB ALA 98 10.040 -3.098 1.727 760 H ILE 99 H ILE 99 10.352 1.023 2.592 761 HA ILE 99 HA ILE 99 9.575 2.232 0.064 762 HB ILE 99 HB ILE 99 9.436 3.397 2.849 763 1HG1 ILE 99 1HG1 ILE 99 7.318 1.978 1.220 764 2HG1 ILE 99 2HG1 ILE 99 8.104 1.341 2.657 765 1HG2 ILE 99 1HG2 ILE 99 7.714 4.873 1.786 766 2HG2 ILE 99 2HG2 ILE 99 8.209 4.226 0.223 767 3HG2 ILE 99 3HG2 ILE 99 9.358 5.132 1.205 768 1HD1 ILE 99 1HD1 ILE 99 5.741 2.773 2.552 769 2HD1 ILE 99 2HD1 ILE 99 6.927 3.927 3.161 770 3HD1 ILE 99 3HD1 ILE 99 6.683 2.392 3.992 771 H ALA 100 H ALA 100 12.385 2.010 1.882 772 HA ALA 100 HA ALA 100 13.355 4.678 1.250 773 1HB ALA 100 1HB ALA 100 14.914 4.367 2.845 774 2HB ALA 100 2HB ALA 100 15.232 2.702 2.359 775 3HB ALA 100 3HB ALA 100 13.833 3.073 3.365 776 H ALA 101 H ALA 101 14.822 1.455 0.852 777 HA ALA 101 HA ALA 101 16.641 2.124 -1.110 778 1HB ALA 101 1HB ALA 101 15.392 -0.385 -0.189 779 2HB ALA 101 2HB ALA 101 17.094 0.038 -0.371 780 3HB ALA 101 3HB ALA 101 16.145 -0.429 -1.782 781 H ASN 102 H ASN 102 13.216 1.511 -1.413 782 HA ASN 102 HA ASN 102 13.288 1.275 -4.277 783 1HB ASN 102 1HB ASN 102 11.040 1.498 -2.270 784 2HB ASN 102 2HB ASN 102 10.796 1.308 -4.004 785 1HD2 ASN 102 1HD2 ASN 102 13.530 -0.394 -3.349 786 2HD2 ASN 102 2HD2 ASN 102 12.839 -1.946 -3.058 787 H ALA 103 H ALA 103 12.020 3.652 -1.945 788 HA ALA 103 HA ALA 103 11.658 5.589 -4.091 789 1HB ALA 103 1HB ALA 103 10.025 6.400 -2.823 790 2HB ALA 103 2HB ALA 103 11.123 6.638 -1.463 791 3HB ALA 103 3HB ALA 103 10.324 5.083 -1.690 Start of MODEL 13 1 1H MET 1 1H MET 1 -0.120 13.129 5.533 2 2H MET 1 2H MET 1 0.866 12.271 4.420 3 3H MET 1 3H MET 1 0.071 11.433 5.690 4 HA MET 1 HA MET 1 -2.049 12.276 4.696 5 1HB MET 1 1HB MET 1 -0.980 13.960 3.270 6 2HB MET 1 2HB MET 1 -0.117 12.695 2.405 7 1HG MET 1 1HG MET 1 -2.007 13.478 1.118 8 2HG MET 1 2HG MET 1 -2.234 11.797 1.594 9 1HE MET 1 1HE MET 1 -4.347 15.330 3.679 10 2HE MET 1 2HE MET 1 -3.256 15.532 2.309 11 3HE MET 1 3HE MET 1 -2.630 14.974 3.861 12 H VAL 2 H VAL 2 -3.244 10.699 3.574 13 HA VAL 2 HA VAL 2 -2.160 8.578 2.103 14 HB VAL 2 HB VAL 2 -1.136 7.960 4.268 15 1HG1 VAL 2 1HG1 VAL 2 -2.685 7.019 6.022 16 2HG1 VAL 2 2HG1 VAL 2 -4.002 7.830 5.172 17 3HG1 VAL 2 3HG1 VAL 2 -2.682 8.775 5.860 18 1HG2 VAL 2 1HG2 VAL 2 -3.044 6.219 2.823 19 2HG2 VAL 2 2HG2 VAL 2 -2.398 5.618 4.349 20 3HG2 VAL 2 3HG2 VAL 2 -1.302 6.060 3.045 21 H THR 3 H THR 3 -3.770 7.388 1.142 22 HA THR 3 HA THR 3 -6.473 7.538 2.256 23 HB THR 3 HB THR 3 -5.762 8.349 -0.570 24 HG1 THR 3 HG1 THR 3 -5.812 10.297 0.166 25 1HG2 THR 3 1HG2 THR 3 -8.143 9.000 -0.744 26 2HG2 THR 3 2HG2 THR 3 -8.444 8.150 0.772 27 3HG2 THR 3 3HG2 THR 3 -7.885 7.257 -0.642 28 H GLN 4 H GLN 4 -8.003 6.080 1.149 29 HA GLN 4 HA GLN 4 -6.671 3.571 0.426 30 1HB GLN 4 1HB GLN 4 -9.580 4.089 1.072 31 2HB GLN 4 2HB GLN 4 -8.810 2.519 0.908 32 1HG GLN 4 1HG GLN 4 -7.485 2.910 2.873 33 2HG GLN 4 2HG GLN 4 -8.113 4.549 3.014 34 1HE2 GLN 4 1HE2 GLN 4 -10.625 2.662 1.979 35 2HE2 GLN 4 2HE2 GLN 4 -11.331 2.276 3.505 36 H PHE 5 H PHE 5 -8.356 2.216 -1.063 37 HA PHE 5 HA PHE 5 -9.174 3.916 -3.307 38 1HB PHE 5 1HB PHE 5 -7.458 1.437 -3.517 39 2HB PHE 5 2HB PHE 5 -8.261 2.203 -4.894 40 HD1 PHE 5 HD1 PHE 5 -7.812 5.076 -4.077 41 HD2 PHE 5 HD2 PHE 5 -5.217 1.699 -4.146 42 HE1 PHE 5 HE1 PHE 5 -5.885 6.570 -4.419 43 HE2 PHE 5 HE2 PHE 5 -3.290 3.192 -4.487 44 HZ PHE 5 HZ PHE 5 -3.621 5.625 -4.625 45 H LYS 6 H LYS 6 -11.330 3.641 -3.174 46 HA LYS 6 HA LYS 6 -12.482 1.039 -2.644 47 1HB LYS 6 1HB LYS 6 -13.676 3.756 -3.184 48 2HB LYS 6 2HB LYS 6 -14.662 2.309 -3.036 49 1HG LYS 6 1HG LYS 6 -12.808 3.364 -0.914 50 2HG LYS 6 2HG LYS 6 -14.557 3.602 -0.956 51 1HD LYS 6 1HD LYS 6 -14.860 1.152 -0.884 52 2HD LYS 6 2HD LYS 6 -13.112 0.959 -0.765 53 1HE LYS 6 1HE LYS 6 -14.163 0.799 1.430 54 2HE LYS 6 2HE LYS 6 -13.110 2.210 1.331 55 1HZ LYS 6 1HZ LYS 6 -14.930 3.644 1.201 56 2HZ LYS 6 2HZ LYS 6 -15.378 2.525 2.388 57 3HZ LYS 6 3HZ LYS 6 -16.016 2.402 0.826 58 H THR 7 H THR 7 -11.718 3.018 -5.380 59 HA THR 7 HA THR 7 -12.890 0.976 -7.140 60 HB THR 7 HB THR 7 -13.441 2.757 -8.766 61 HG1 THR 7 HG1 THR 7 -12.760 4.519 -6.653 62 1HG2 THR 7 1HG2 THR 7 -15.357 3.718 -7.665 63 2HG2 THR 7 2HG2 THR 7 -14.700 3.285 -6.087 64 3HG2 THR 7 3HG2 THR 7 -15.190 2.021 -7.214 65 H ALA 8 H ALA 8 -11.407 0.063 -8.398 66 HA ALA 8 HA ALA 8 -8.719 0.644 -8.366 67 1HB ALA 8 1HB ALA 8 -9.497 -1.478 -9.163 68 2HB ALA 8 2HB ALA 8 -8.562 -0.714 -10.449 69 3HB ALA 8 3HB ALA 8 -10.324 -0.717 -10.522 70 H SER 9 H SER 9 -11.205 2.174 -10.222 71 HA SER 9 HA SER 9 -9.677 3.280 -12.286 72 1HB SER 9 1HB SER 9 -12.107 4.425 -10.888 73 2HB SER 9 2HB SER 9 -11.468 4.985 -12.434 74 HG SER 9 HG SER 9 -11.848 2.839 -13.229 75 H GLU 10 H GLU 10 -9.692 3.938 -8.922 76 HA GLU 10 HA GLU 10 -8.567 6.580 -9.224 77 1HB GLU 10 1HB GLU 10 -9.193 4.958 -6.764 78 2HB GLU 10 2HB GLU 10 -8.555 6.596 -6.737 79 1HG GLU 10 1HG GLU 10 -10.552 7.402 -7.874 80 2HG GLU 10 2HG GLU 10 -11.190 5.759 -7.925 81 H PHE 11 H PHE 11 -7.622 3.426 -8.046 82 HA PHE 11 HA PHE 11 -4.989 4.151 -7.297 83 1HB PHE 11 1HB PHE 11 -6.245 2.140 -6.466 84 2HB PHE 11 2HB PHE 11 -5.988 1.397 -8.039 85 HD1 PHE 11 HD1 PHE 11 -5.030 -0.373 -6.379 86 HD2 PHE 11 HD2 PHE 11 -3.187 3.375 -7.204 87 HE1 PHE 11 HE1 PHE 11 -2.875 -1.258 -5.590 88 HE2 PHE 11 HE2 PHE 11 -1.033 2.493 -6.423 89 HZ PHE 11 HZ PHE 11 -0.877 0.178 -5.614 90 H ASP 12 H ASP 12 -6.452 3.095 -10.286 91 HA ASP 12 HA ASP 12 -4.295 2.169 -11.724 92 1HB ASP 12 1HB ASP 12 -6.598 2.156 -12.575 93 2HB ASP 12 2HB ASP 12 -6.554 3.908 -12.742 94 H SER 13 H SER 13 -5.494 5.521 -11.993 95 HA SER 13 HA SER 13 -3.221 6.506 -13.298 96 1HB SER 13 1HB SER 13 -5.231 8.000 -11.597 97 2HB SER 13 2HB SER 13 -4.092 8.744 -12.717 98 HG SER 13 HG SER 13 -6.447 8.044 -13.336 99 H ALA 14 H ALA 14 -3.745 5.783 -9.978 100 HA ALA 14 HA ALA 14 -2.054 7.577 -8.698 101 1HB ALA 14 1HB ALA 14 -3.571 5.447 -7.917 102 2HB ALA 14 2HB ALA 14 -2.481 6.356 -6.870 103 3HB ALA 14 3HB ALA 14 -1.934 4.858 -7.625 104 H ILE 15 H ILE 15 -1.179 4.208 -9.492 105 HA ILE 15 HA ILE 15 1.543 4.453 -9.034 106 HB ILE 15 HB ILE 15 1.844 2.452 -10.410 107 1HG1 ILE 15 1HG1 ILE 15 -1.064 2.880 -11.140 108 2HG1 ILE 15 2HG1 ILE 15 0.310 2.950 -12.238 109 1HG2 ILE 15 1HG2 ILE 15 0.853 2.477 -8.052 110 2HG2 ILE 15 2HG2 ILE 15 0.681 1.001 -9.001 111 3HG2 ILE 15 3HG2 ILE 15 -0.683 2.107 -8.835 112 1HD1 ILE 15 1HD1 ILE 15 0.619 0.654 -12.197 113 2HD1 ILE 15 2HD1 ILE 15 -1.135 0.835 -12.208 114 3HD1 ILE 15 3HD1 ILE 15 -0.295 0.458 -10.702 115 H ALA 16 H ALA 16 -0.185 4.836 -12.124 116 HA ALA 16 HA ALA 16 1.842 5.172 -13.886 117 1HB ALA 16 1HB ALA 16 0.242 7.089 -14.823 118 2HB ALA 16 2HB ALA 16 -0.860 6.345 -13.666 119 3HB ALA 16 3HB ALA 16 -0.143 5.373 -14.950 120 H GLN 17 H GLN 17 3.715 6.162 -13.428 121 HA GLN 17 HA GLN 17 5.213 7.758 -12.776 122 1HB GLN 17 1HB GLN 17 3.188 9.416 -14.278 123 2HB GLN 17 2HB GLN 17 4.783 9.994 -13.814 124 1HG GLN 17 1HG GLN 17 5.817 8.240 -15.160 125 2HG GLN 17 2HG GLN 17 4.214 7.658 -15.626 126 1HE2 GLN 17 1HE2 GLN 17 3.708 8.235 -17.595 127 2HE2 GLN 17 2HE2 GLN 17 4.100 9.731 -18.365 128 H ASP 18 H ASP 18 5.072 7.746 -10.549 129 HA ASP 18 HA ASP 18 4.245 10.156 -9.340 130 1HB ASP 18 1HB ASP 18 2.014 9.153 -9.601 131 2HB ASP 18 2HB ASP 18 2.549 7.731 -8.712 132 H LYS 19 H LYS 19 6.614 8.611 -9.422 133 HA LYS 19 HA LYS 19 8.294 7.906 -8.036 134 1HB LYS 19 1HB LYS 19 6.482 9.133 -5.968 135 2HB LYS 19 2HB LYS 19 8.137 8.645 -5.660 136 1HG LYS 19 1HG LYS 19 8.219 10.957 -5.978 137 2HG LYS 19 2HG LYS 19 8.824 10.250 -7.477 138 1HD LYS 19 1HD LYS 19 7.319 12.098 -7.951 139 2HD LYS 19 2HD LYS 19 6.617 10.583 -8.511 140 1HE LYS 19 1HE LYS 19 4.949 11.978 -7.402 141 2HE LYS 19 2HE LYS 19 5.221 10.483 -6.510 142 1HZ LYS 19 1HZ LYS 19 6.850 12.758 -5.721 143 2HZ LYS 19 2HZ LYS 19 6.104 11.576 -4.768 144 3HZ LYS 19 3HZ LYS 19 5.199 12.873 -5.368 145 H LEU 20 H LEU 20 7.927 6.941 -5.321 146 HA LEU 20 HA LEU 20 6.881 4.308 -6.002 147 1HB LEU 20 1HB LEU 20 9.128 4.333 -5.122 148 2HB LEU 20 2HB LEU 20 8.611 5.272 -3.721 149 HG LEU 20 HG LEU 20 7.211 3.341 -3.008 150 1HD1 LEU 20 1HD1 LEU 20 8.551 1.305 -4.495 151 2HD1 LEU 20 2HD1 LEU 20 7.763 2.424 -5.609 152 3HD1 LEU 20 3HD1 LEU 20 6.823 1.628 -4.347 153 1HD2 LEU 20 1HD2 LEU 20 10.181 3.156 -3.273 154 2HD2 LEU 20 2HD2 LEU 20 9.278 1.837 -2.529 155 3HD2 LEU 20 3HD2 LEU 20 9.199 3.459 -1.840 156 H VAL 21 H VAL 21 4.888 3.871 -5.465 157 HA VAL 21 HA VAL 21 3.654 5.243 -3.188 158 HB VAL 21 HB VAL 21 2.325 3.726 -5.439 159 1HG1 VAL 21 1HG1 VAL 21 1.024 5.583 -3.465 160 2HG1 VAL 21 2HG1 VAL 21 1.123 3.840 -3.212 161 3HG1 VAL 21 3HG1 VAL 21 0.250 4.480 -4.603 162 1HG2 VAL 21 1HG2 VAL 21 3.006 6.606 -5.057 163 2HG2 VAL 21 2HG2 VAL 21 1.536 6.172 -5.930 164 3HG2 VAL 21 3HG2 VAL 21 3.104 5.609 -6.509 165 H VAL 22 H VAL 22 3.198 4.160 -1.390 166 HA VAL 22 HA VAL 22 3.514 1.246 -1.397 167 HB VAL 22 HB VAL 22 3.383 3.135 0.958 168 1HG1 VAL 22 1HG1 VAL 22 3.390 0.230 0.712 169 2HG1 VAL 22 2HG1 VAL 22 2.993 1.251 2.096 170 3HG1 VAL 22 3HG1 VAL 22 4.674 0.840 1.756 171 1HG2 VAL 22 1HG2 VAL 22 5.412 3.006 -0.830 172 2HG2 VAL 22 2HG2 VAL 22 5.904 1.764 0.321 173 3HG2 VAL 22 3HG2 VAL 22 5.614 3.414 0.873 174 H VAL 23 H VAL 23 1.532 0.562 -2.146 175 HA VAL 23 HA VAL 23 -0.856 1.451 -0.704 176 HB VAL 23 HB VAL 23 -0.680 -0.261 -3.188 177 1HG1 VAL 23 1HG1 VAL 23 -3.026 1.166 -1.934 178 2HG1 VAL 23 2HG1 VAL 23 -2.741 -0.574 -1.906 179 3HG1 VAL 23 3HG1 VAL 23 -3.053 0.244 -3.437 180 1HG2 VAL 23 1HG2 VAL 23 -0.071 1.649 -4.185 181 2HG2 VAL 23 2HG2 VAL 23 -0.516 2.631 -2.788 182 3HG2 VAL 23 3HG2 VAL 23 -1.748 2.140 -3.949 183 H ASP 24 H ASP 24 -1.831 0.216 0.745 184 HA ASP 24 HA ASP 24 -0.864 -2.520 1.121 185 1HB ASP 24 1HB ASP 24 -0.722 -1.012 3.059 186 2HB ASP 24 2HB ASP 24 -2.468 -0.738 2.973 187 H PHE 25 H PHE 25 -2.130 -4.249 0.754 188 HA PHE 25 HA PHE 25 -4.866 -3.785 -0.138 189 1HB PHE 25 1HB PHE 25 -2.899 -6.051 -0.457 190 2HB PHE 25 2HB PHE 25 -4.593 -6.203 -0.916 191 HD1 PHE 25 HD1 PHE 25 -2.044 -3.498 -1.421 192 HD2 PHE 25 HD2 PHE 25 -4.799 -6.230 -3.163 193 HE1 PHE 25 HE1 PHE 25 -1.487 -2.623 -3.656 194 HE2 PHE 25 HE2 PHE 25 -4.263 -5.350 -5.392 195 HZ PHE 25 HZ PHE 25 -2.611 -3.543 -5.643 196 H TYR 26 H TYR 26 -4.805 -3.473 2.500 197 HA TYR 26 HA TYR 26 -4.884 -5.648 4.181 198 1HB TYR 26 1HB TYR 26 -6.598 -4.239 5.503 199 2HB TYR 26 2HB TYR 26 -4.989 -3.578 5.247 200 HD1 TYR 26 HD1 TYR 26 -8.253 -3.595 3.393 201 HD2 TYR 26 HD2 TYR 26 -4.936 -1.323 4.782 202 HE1 TYR 26 HE1 TYR 26 -9.236 -1.573 2.421 203 HE2 TYR 26 HE2 TYR 26 -5.920 0.706 3.840 204 HH TYR 26 HH TYR 26 -7.653 1.130 1.797 205 H ALA 27 H ALA 27 -6.115 -7.383 4.365 206 HA ALA 27 HA ALA 27 -8.074 -8.117 2.573 207 1HB ALA 27 1HB ALA 27 -7.537 -9.049 5.377 208 2HB ALA 27 2HB ALA 27 -7.085 -9.820 3.857 209 3HB ALA 27 3HB ALA 27 -8.776 -9.781 4.359 210 H THR 28 H THR 28 -10.359 -8.368 2.758 211 HA THR 28 HA THR 28 -11.585 -6.154 4.211 212 HB THR 28 HB THR 28 -12.092 -6.262 1.847 213 HG1 THR 28 HG1 THR 28 -14.423 -6.488 2.037 214 1HG2 THR 28 1HG2 THR 28 -13.799 -8.562 1.780 215 2HG2 THR 28 2HG2 THR 28 -12.150 -9.036 2.190 216 3HG2 THR 28 3HG2 THR 28 -12.463 -8.124 0.715 217 H TRP 29 H TRP 29 -10.749 -8.780 5.428 218 HA TRP 29 HA TRP 29 -13.296 -9.351 6.747 219 1HB TRP 29 1HB TRP 29 -12.627 -11.825 6.700 220 2HB TRP 29 2HB TRP 29 -13.247 -11.120 5.198 221 HD1 TRP 29 HD1 TRP 29 -11.446 -10.657 3.233 222 HE1 TRP 29 HE1 TRP 29 -9.168 -11.747 2.739 223 HE3 TRP 29 HE3 TRP 29 -10.583 -12.830 7.777 224 HZ2 TRP 29 HZ2 TRP 29 -7.252 -13.305 4.096 225 HZ3 TRP 29 HZ3 TRP 29 -8.497 -14.093 8.103 226 HH2 TRP 29 HH2 TRP 29 -6.868 -14.328 6.299 227 H CYS 30 H CYS 30 -9.773 -9.683 6.773 228 HA CYS 30 HA CYS 30 -9.120 -10.868 9.067 229 1HB CYS 30 1HB CYS 30 -7.468 -9.769 7.652 230 2HB CYS 30 2HB CYS 30 -8.034 -8.186 8.181 231 HG CYS 30 HG CYS 30 -7.015 -9.872 10.490 232 H GLY 31 H GLY 31 -8.844 -10.350 11.270 233 1HA GLY 31 1HA GLY 31 -11.010 -9.124 12.519 234 2HA GLY 31 2HA GLY 31 -9.477 -9.485 13.299 235 HA PRO 32 HA PRO 32 -8.696 -5.166 13.592 236 1HB PRO 32 1HB PRO 32 -5.850 -5.451 13.078 237 2HB PRO 32 2HB PRO 32 -6.674 -5.134 14.603 238 1HG PRO 32 1HG PRO 32 -5.399 -7.478 14.044 239 2HG PRO 32 2HG PRO 32 -6.765 -7.346 15.165 240 1HD PRO 32 1HD PRO 32 -6.722 -8.295 12.328 241 2HD PRO 32 2HD PRO 32 -7.638 -8.923 13.716 242 H CYS 33 H CYS 33 -6.079 -5.975 11.334 243 HA CYS 33 HA CYS 33 -5.397 -4.840 9.449 244 1HB CYS 33 1HB CYS 33 -6.934 -5.225 7.563 245 2HB CYS 33 2HB CYS 33 -6.772 -6.660 8.586 246 HG CYS 33 HG CYS 33 -9.174 -6.555 9.137 247 H LYS 34 H LYS 34 -6.544 -3.026 11.434 248 HA LYS 34 HA LYS 34 -7.375 -0.885 9.600 249 1HB LYS 34 1HB LYS 34 -8.610 -1.577 12.261 250 2HB LYS 34 2HB LYS 34 -8.817 -0.006 11.501 251 1HG LYS 34 1HG LYS 34 -9.887 -1.033 9.591 252 2HG LYS 34 2HG LYS 34 -9.611 -2.636 10.268 253 1HD LYS 34 1HD LYS 34 -11.905 -1.912 10.661 254 2HD LYS 34 2HD LYS 34 -11.027 -2.064 12.185 255 1HE LYS 34 1HE LYS 34 -12.377 -0.038 12.159 256 2HE LYS 34 2HE LYS 34 -10.660 0.352 12.218 257 1HZ LYS 34 1HZ LYS 34 -11.463 0.204 9.530 258 2HZ LYS 34 2HZ LYS 34 -10.898 1.548 10.387 259 3HZ LYS 34 3HZ LYS 34 -12.552 1.202 10.354 260 H MET 35 H MET 35 -5.834 -1.791 12.631 261 HA MET 35 HA MET 35 -5.039 0.744 13.496 262 1HB MET 35 1HB MET 35 -4.892 -1.252 14.903 263 2HB MET 35 2HB MET 35 -3.659 -1.926 13.851 264 1HG MET 35 1HG MET 35 -3.218 0.704 15.197 265 2HG MET 35 2HG MET 35 -2.980 -0.804 16.078 266 1HE MET 35 1HE MET 35 -1.033 -2.600 13.308 267 2HE MET 35 2HE MET 35 -2.033 -2.744 14.753 268 3HE MET 35 3HE MET 35 -0.285 -2.570 14.904 269 H ILE 36 H ILE 36 -4.044 -1.029 10.772 270 HA ILE 36 HA ILE 36 -1.404 0.038 10.522 271 HB ILE 36 HB ILE 36 -3.223 -1.299 8.519 272 1HG1 ILE 36 1HG1 ILE 36 -1.545 -3.172 8.820 273 2HG1 ILE 36 2HG1 ILE 36 -0.893 -2.262 10.179 274 1HG2 ILE 36 1HG2 ILE 36 -0.548 -0.070 8.229 275 2HG2 ILE 36 2HG2 ILE 36 -1.864 -0.224 7.067 276 3HG2 ILE 36 3HG2 ILE 36 -0.829 -1.610 7.414 277 1HD1 ILE 36 1HD1 ILE 36 -2.594 -4.138 10.623 278 2HD1 ILE 36 2HD1 ILE 36 -3.792 -2.959 10.086 279 3HD1 ILE 36 3HD1 ILE 36 -2.769 -2.606 11.477 280 H ALA 37 H ALA 37 -4.597 0.903 9.287 281 HA ALA 37 HA ALA 37 -4.033 2.714 7.329 282 1HB ALA 37 1HB ALA 37 -6.287 2.333 7.675 283 2HB ALA 37 2HB ALA 37 -6.091 3.984 8.265 284 3HB ALA 37 3HB ALA 37 -6.181 2.645 9.408 285 HA PRO 38 HA PRO 38 -3.310 6.252 10.515 286 1HB PRO 38 1HB PRO 38 -2.699 5.532 13.071 287 2HB PRO 38 2HB PRO 38 -4.347 5.883 12.531 288 1HG PRO 38 1HG PRO 38 -3.017 3.258 12.995 289 2HG PRO 38 2HG PRO 38 -4.694 3.739 13.300 290 1HD PRO 38 1HD PRO 38 -3.878 2.260 11.140 291 2HD PRO 38 2HD PRO 38 -5.338 3.246 11.159 292 H MET 39 H MET 39 -1.620 3.205 10.974 293 HA MET 39 HA MET 39 0.933 4.314 11.545 294 1HB MET 39 1HB MET 39 0.378 1.975 12.047 295 2HB MET 39 2HB MET 39 0.189 1.633 10.341 296 1HG MET 39 1HG MET 39 2.530 2.100 10.002 297 2HG MET 39 2HG MET 39 2.729 2.474 11.705 298 1HE MET 39 1HE MET 39 2.418 0.637 13.655 299 2HE MET 39 2HE MET 39 1.945 -1.032 13.330 300 3HE MET 39 3HE MET 39 0.818 0.285 13.005 301 H ILE 40 H ILE 40 -0.554 3.021 8.591 302 HA ILE 40 HA ILE 40 1.459 3.450 6.759 303 HB ILE 40 HB ILE 40 -1.536 3.758 6.417 304 1HG1 ILE 40 1HG1 ILE 40 0.350 1.489 5.749 305 2HG1 ILE 40 2HG1 ILE 40 -0.810 1.522 7.073 306 1HG2 ILE 40 1HG2 ILE 40 -0.435 4.989 4.639 307 2HG2 ILE 40 2HG2 ILE 40 -1.133 3.502 3.995 308 3HG2 ILE 40 3HG2 ILE 40 0.603 3.605 4.289 309 1HD1 ILE 40 1HD1 ILE 40 -2.652 1.541 5.520 310 2HD1 ILE 40 2HD1 ILE 40 -1.571 0.202 5.135 311 3HD1 ILE 40 3HD1 ILE 40 -1.540 1.668 4.156 312 H GLU 41 H GLU 41 -0.608 5.754 8.334 313 HA GLU 41 HA GLU 41 -0.017 7.935 6.563 314 1HB GLU 41 1HB GLU 41 -2.137 7.858 7.748 315 2HB GLU 41 2HB GLU 41 -1.303 7.848 9.297 316 1HG GLU 41 1HG GLU 41 -0.446 10.094 8.841 317 2HG GLU 41 2HG GLU 41 -1.287 10.099 7.291 318 H LYS 42 H LYS 42 1.272 6.661 9.547 319 HA LYS 42 HA LYS 42 2.779 8.946 10.289 320 1HB LYS 42 1HB LYS 42 3.111 6.032 11.019 321 2HB LYS 42 2HB LYS 42 4.005 7.353 11.763 322 1HG LYS 42 1HG LYS 42 1.963 8.300 12.630 323 2HG LYS 42 2HG LYS 42 1.008 7.077 11.794 324 1HD LYS 42 1HD LYS 42 1.204 6.464 14.113 325 2HD LYS 42 2HD LYS 42 2.150 5.335 13.144 326 1HE LYS 42 1HE LYS 42 3.340 7.738 14.513 327 2HE LYS 42 2HE LYS 42 3.237 6.151 15.271 328 1HZ LYS 42 1HZ LYS 42 5.098 7.115 13.333 329 2HZ LYS 42 2HZ LYS 42 4.372 5.672 12.830 330 3HZ LYS 42 3HZ LYS 42 5.182 5.739 14.312 331 H PHE 43 H PHE 43 3.241 6.615 7.839 332 HA PHE 43 HA PHE 43 6.123 6.964 7.771 333 1HB PHE 43 1HB PHE 43 4.239 5.309 6.092 334 2HB PHE 43 2HB PHE 43 5.970 5.419 5.779 335 HD1 PHE 43 HD1 PHE 43 3.799 4.900 8.769 336 HD2 PHE 43 HD2 PHE 43 7.163 3.610 6.507 337 HE1 PHE 43 HE1 PHE 43 4.206 3.105 10.403 338 HE2 PHE 43 HE2 PHE 43 7.571 1.808 8.133 339 HZ PHE 43 HZ PHE 43 6.092 1.554 10.084 340 H SER 44 H SER 44 3.341 8.334 6.312 341 HA SER 44 HA SER 44 4.522 9.221 3.895 342 1HB SER 44 1HB SER 44 2.087 9.160 4.184 343 2HB SER 44 2HB SER 44 2.198 10.393 5.452 344 HG SER 44 HG SER 44 3.057 11.810 3.850 345 H GLU 45 H GLU 45 5.000 10.146 7.114 346 HA GLU 45 HA GLU 45 5.830 12.863 6.476 347 1HB GLU 45 1HB GLU 45 4.595 12.382 8.570 348 2HB GLU 45 2HB GLU 45 5.914 11.351 9.096 349 1HG GLU 45 1HG GLU 45 6.274 14.268 8.484 350 2HG GLU 45 2HG GLU 45 5.830 13.667 10.080 351 H GLN 46 H GLN 46 7.154 9.714 6.796 352 HA GLN 46 HA GLN 46 9.872 10.654 7.216 353 1HB GLN 46 1HB GLN 46 8.942 7.832 6.686 354 2HB GLN 46 2HB GLN 46 10.464 8.342 7.406 355 1HG GLN 46 1HG GLN 46 9.286 9.180 9.352 356 2HG GLN 46 2HG GLN 46 7.745 8.733 8.625 357 1HE2 GLN 46 1HE2 GLN 46 9.739 7.858 10.947 358 2HE2 GLN 46 2HE2 GLN 46 9.540 6.127 10.933 359 H TYR 47 H TYR 47 7.873 9.270 4.655 360 HA TYR 47 HA TYR 47 10.077 9.802 2.767 361 1HB TYR 47 1HB TYR 47 8.044 7.566 2.648 362 2HB TYR 47 2HB TYR 47 9.245 7.913 1.408 363 HD1 TYR 47 HD1 TYR 47 11.727 7.856 2.152 364 HD2 TYR 47 HD2 TYR 47 8.553 6.114 4.381 365 HE1 TYR 47 HE1 TYR 47 13.347 6.427 3.327 366 HE2 TYR 47 HE2 TYR 47 10.163 4.672 5.559 367 HH TYR 47 HH TYR 47 12.410 3.767 5.232 368 HA PRO 48 HA PRO 48 5.899 12.261 2.155 369 1HB PRO 48 1HB PRO 48 8.169 14.141 1.645 370 2HB PRO 48 2HB PRO 48 6.564 14.479 2.305 371 1HG PRO 48 1HG PRO 48 8.726 14.227 3.887 372 2HG PRO 48 2HG PRO 48 7.114 13.709 4.402 373 1HD PRO 48 1HD PRO 48 9.466 12.081 3.736 374 2HD PRO 48 2HD PRO 48 7.996 11.630 4.625 375 H GLN 49 H GLN 49 8.915 11.898 0.400 376 HA GLN 49 HA GLN 49 8.071 12.846 -2.096 377 1HB GLN 49 1HB GLN 49 10.099 10.689 -1.480 378 2HB GLN 49 2HB GLN 49 9.913 11.478 -3.041 379 1HG GLN 49 1HG GLN 49 10.644 12.870 -0.473 380 2HG GLN 49 2HG GLN 49 11.786 12.364 -1.714 381 1HE2 GLN 49 1HE2 GLN 49 9.281 13.218 -3.537 382 2HE2 GLN 49 2HE2 GLN 49 9.594 14.899 -3.752 383 H ALA 50 H ALA 50 7.767 9.691 -0.586 384 HA ALA 50 HA ALA 50 6.503 8.559 -2.948 385 1HB ALA 50 1HB ALA 50 6.253 6.617 -1.114 386 2HB ALA 50 2HB ALA 50 7.610 7.504 -0.419 387 3HB ALA 50 3HB ALA 50 7.719 6.868 -2.061 388 H ASP 51 H ASP 51 4.359 8.028 -3.116 389 HA ASP 51 HA ASP 51 2.580 9.363 -1.239 390 1HB ASP 51 1HB ASP 51 2.026 8.016 -3.888 391 2HB ASP 51 2HB ASP 51 0.816 8.846 -2.917 392 H PHE 52 H PHE 52 1.573 8.355 0.346 393 HA PHE 52 HA PHE 52 1.590 5.435 0.372 394 1HB PHE 52 1HB PHE 52 1.075 7.459 2.556 395 2HB PHE 52 2HB PHE 52 0.948 5.708 2.781 396 HD1 PHE 52 HD1 PHE 52 3.391 8.153 1.354 397 HD2 PHE 52 HD2 PHE 52 2.749 4.689 3.737 398 HE1 PHE 52 HE1 PHE 52 5.802 8.040 1.833 399 HE2 PHE 52 HE2 PHE 52 5.155 4.568 4.221 400 HZ PHE 52 HZ PHE 52 6.687 6.245 3.270 401 H TYR 53 H TYR 53 -0.108 4.574 -0.594 402 HA TYR 53 HA TYR 53 -2.778 5.657 0.024 403 1HB TYR 53 1HB TYR 53 -1.691 4.387 -2.475 404 2HB TYR 53 2HB TYR 53 -3.419 4.387 -2.141 405 HD1 TYR 53 HD1 TYR 53 -4.384 6.777 -1.483 406 HD2 TYR 53 HD2 TYR 53 -0.839 6.122 -3.738 407 HE1 TYR 53 HE1 TYR 53 -4.584 9.031 -2.441 408 HE2 TYR 53 HE2 TYR 53 -1.023 8.377 -4.698 409 HH TYR 53 HH TYR 53 -3.528 10.086 -4.908 410 H LYS 54 H LYS 54 -4.455 3.732 -0.556 411 HA LYS 54 HA LYS 54 -3.483 1.227 0.592 412 1HB LYS 54 1HB LYS 54 -6.016 2.468 1.641 413 2HB LYS 54 2HB LYS 54 -5.105 1.118 2.295 414 1HG LYS 54 1HG LYS 54 -3.349 2.572 3.030 415 2HG LYS 54 2HG LYS 54 -4.102 3.954 2.229 416 1HD LYS 54 1HD LYS 54 -6.082 3.645 3.711 417 2HD LYS 54 2HD LYS 54 -5.188 2.394 4.574 418 1HE LYS 54 1HE LYS 54 -3.489 4.016 5.192 419 2HE LYS 54 2HE LYS 54 -4.321 5.263 4.264 420 1HZ LYS 54 1HZ LYS 54 -4.684 4.771 6.896 421 2HZ LYS 54 2HZ LYS 54 -6.002 3.970 6.202 422 3HZ LYS 54 3HZ LYS 54 -5.762 5.618 5.906 423 H LEU 55 H LEU 55 -4.648 -0.584 -0.032 424 HA LEU 55 HA LEU 55 -6.577 -0.109 -2.197 425 1HB LEU 55 1HB LEU 55 -4.428 -1.319 -2.696 426 2HB LEU 55 2HB LEU 55 -4.984 -2.609 -1.650 427 HG LEU 55 HG LEU 55 -5.322 -3.088 -4.054 428 1HD1 LEU 55 1HD1 LEU 55 -7.186 -4.273 -3.640 429 2HD1 LEU 55 2HD1 LEU 55 -8.088 -2.863 -3.087 430 3HD1 LEU 55 3HD1 LEU 55 -6.965 -3.675 -1.996 431 1HD2 LEU 55 1HD2 LEU 55 -5.964 -0.527 -4.365 432 2HD2 LEU 55 2HD2 LEU 55 -7.587 -1.188 -4.181 433 3HD2 LEU 55 3HD2 LEU 55 -6.531 -1.786 -5.461 434 H ASP 56 H ASP 56 -8.630 -0.635 -1.897 435 HA ASP 56 HA ASP 56 -9.465 -1.896 0.536 436 1HB ASP 56 1HB ASP 56 -10.979 -0.803 -1.838 437 2HB ASP 56 2HB ASP 56 -11.735 -1.418 -0.376 438 H VAL 57 H VAL 57 -9.319 -4.048 0.683 439 HA VAL 57 HA VAL 57 -9.499 -5.795 -1.570 440 HB VAL 57 HB VAL 57 -9.570 -6.422 1.395 441 1HG1 VAL 57 1HG1 VAL 57 -8.875 -8.716 0.626 442 2HG1 VAL 57 2HG1 VAL 57 -9.303 -8.225 -1.013 443 3HG1 VAL 57 3HG1 VAL 57 -10.539 -8.277 0.242 444 1HG2 VAL 57 1HG2 VAL 57 -7.226 -6.977 1.131 445 2HG2 VAL 57 2HG2 VAL 57 -7.505 -5.321 0.594 446 3HG2 VAL 57 3HG2 VAL 57 -7.299 -6.609 -0.593 447 H ASP 58 H ASP 58 -11.828 -4.188 0.245 448 HA ASP 58 HA ASP 58 -13.869 -6.208 0.185 449 1HB ASP 58 1HB ASP 58 -13.853 -4.454 1.915 450 2HB ASP 58 2HB ASP 58 -14.077 -3.227 0.673 451 H GLU 59 H GLU 59 -13.572 -3.033 -1.434 452 HA GLU 59 HA GLU 59 -15.600 -3.726 -3.349 453 1HB GLU 59 1HB GLU 59 -15.068 -1.385 -2.435 454 2HB GLU 59 2HB GLU 59 -13.711 -1.386 -3.550 455 1HG GLU 59 1HG GLU 59 -16.619 -1.641 -4.282 456 2HG GLU 59 2HG GLU 59 -15.603 -0.218 -4.500 457 H LEU 60 H LEU 60 -12.072 -3.462 -3.340 458 HA LEU 60 HA LEU 60 -11.988 -4.366 -6.125 459 1HB LEU 60 1HB LEU 60 -9.780 -3.389 -4.312 460 2HB LEU 60 2HB LEU 60 -9.561 -3.888 -5.976 461 HG LEU 60 HG LEU 60 -11.117 -2.046 -6.659 462 1HD1 LEU 60 1HD1 LEU 60 -11.078 -0.218 -4.721 463 2HD1 LEU 60 2HD1 LEU 60 -11.149 -1.673 -3.728 464 3HD1 LEU 60 3HD1 LEU 60 -12.399 -1.364 -4.930 465 1HD2 LEU 60 1HD2 LEU 60 -9.303 -0.813 -7.020 466 2HD2 LEU 60 2HD2 LEU 60 -8.416 -1.975 -6.035 467 3HD2 LEU 60 3HD2 LEU 60 -9.073 -0.514 -5.298 468 H GLY 61 H GLY 61 -12.928 -6.288 -4.414 469 1HA GLY 61 1HA GLY 61 -11.039 -7.980 -3.242 470 2HA GLY 61 2HA GLY 61 -12.607 -8.488 -3.849 471 H ASP 62 H ASP 62 -11.688 -7.401 -6.571 472 HA ASP 62 HA ASP 62 -10.673 -9.902 -7.525 473 1HB ASP 62 1HB ASP 62 -11.199 -7.339 -8.966 474 2HB ASP 62 2HB ASP 62 -10.815 -8.862 -9.746 475 H VAL 63 H VAL 63 -9.358 -6.760 -6.817 476 HA VAL 63 HA VAL 63 -6.926 -7.111 -8.276 477 HB VAL 63 HB VAL 63 -7.405 -5.234 -5.959 478 1HG1 VAL 63 1HG1 VAL 63 -5.697 -4.454 -8.216 479 2HG1 VAL 63 2HG1 VAL 63 -5.075 -5.775 -7.227 480 3HG1 VAL 63 3HG1 VAL 63 -5.467 -4.223 -6.484 481 1HG2 VAL 63 1HG2 VAL 63 -7.948 -4.800 -8.894 482 2HG2 VAL 63 2HG2 VAL 63 -8.059 -3.571 -7.633 483 3HG2 VAL 63 3HG2 VAL 63 -9.163 -4.947 -7.622 484 H ALA 64 H ALA 64 -7.662 -7.199 -4.768 485 HA ALA 64 HA ALA 64 -5.154 -7.998 -3.847 486 1HB ALA 64 1HB ALA 64 -7.890 -8.034 -2.829 487 2HB ALA 64 2HB ALA 64 -6.378 -7.653 -2.006 488 3HB ALA 64 3HB ALA 64 -6.886 -9.332 -2.182 489 H GLN 65 H GLN 65 -7.574 -9.767 -5.583 490 HA GLN 65 HA GLN 65 -6.367 -12.344 -5.002 491 1HB GLN 65 1HB GLN 65 -8.805 -12.190 -5.114 492 2HB GLN 65 2HB GLN 65 -8.705 -11.601 -6.767 493 1HG GLN 65 1HG GLN 65 -9.317 -13.942 -6.722 494 2HG GLN 65 2HG GLN 65 -7.738 -13.723 -7.475 495 1HE2 GLN 65 1HE2 GLN 65 -9.418 -15.630 -5.447 496 2HE2 GLN 65 2HE2 GLN 65 -8.131 -16.272 -4.492 497 H LYS 66 H LYS 66 -6.680 -10.072 -7.704 498 HA LYS 66 HA LYS 66 -5.595 -11.726 -9.694 499 1HB LYS 66 1HB LYS 66 -5.473 -9.841 -11.055 500 2HB LYS 66 2HB LYS 66 -6.743 -9.408 -9.921 501 1HG LYS 66 1HG LYS 66 -5.210 -8.030 -8.669 502 2HG LYS 66 2HG LYS 66 -3.871 -8.530 -9.701 503 1HD LYS 66 1HD LYS 66 -5.056 -7.537 -11.637 504 2HD LYS 66 2HD LYS 66 -6.305 -6.955 -10.535 505 1HE LYS 66 1HE LYS 66 -4.612 -5.651 -9.328 506 2HE LYS 66 2HE LYS 66 -3.382 -6.217 -10.456 507 1HZ LYS 66 1HZ LYS 66 -4.499 -5.101 -12.243 508 2HZ LYS 66 2HZ LYS 66 -4.236 -3.992 -10.994 509 3HZ LYS 66 3HZ LYS 66 -5.778 -4.645 -11.232 510 H ASN 67 H ASN 67 -4.034 -9.401 -7.513 511 HA ASN 67 HA ASN 67 -1.402 -10.024 -8.449 512 1HB ASN 67 1HB ASN 67 -2.422 -8.428 -6.091 513 2HB ASN 67 2HB ASN 67 -0.725 -8.553 -6.556 514 1HD2 ASN 67 1HD2 ASN 67 -3.339 -6.642 -6.729 515 2HD2 ASN 67 2HD2 ASN 67 -2.978 -5.760 -8.188 516 H GLU 68 H GLU 68 -3.537 -11.710 -6.593 517 HA GLU 68 HA GLU 68 -3.375 -13.508 -5.233 518 1HB GLU 68 1HB GLU 68 -0.439 -13.389 -5.939 519 2HB GLU 68 2HB GLU 68 -1.254 -14.748 -5.176 520 1HG GLU 68 1HG GLU 68 -1.903 -13.661 -7.905 521 2HG GLU 68 2HG GLU 68 -0.886 -15.068 -7.587 522 H VAL 69 H VAL 69 -3.290 -10.918 -4.057 523 HA VAL 69 HA VAL 69 -1.512 -11.397 -1.753 524 HB VAL 69 HB VAL 69 -2.769 -8.774 -2.575 525 1HG1 VAL 69 1HG1 VAL 69 -2.390 -8.642 -0.280 526 2HG1 VAL 69 2HG1 VAL 69 -0.934 -7.935 -0.977 527 3HG1 VAL 69 3HG1 VAL 69 -0.905 -9.591 -0.370 528 1HG2 VAL 69 1HG2 VAL 69 -0.624 -8.110 -3.409 529 2HG2 VAL 69 2HG2 VAL 69 -1.060 -9.633 -4.183 530 3HG2 VAL 69 3HG2 VAL 69 0.111 -9.617 -2.865 531 H SER 70 H SER 70 -3.331 -12.957 -1.224 532 HA SER 70 HA SER 70 -5.752 -11.752 -0.224 533 1HB SER 70 1HB SER 70 -5.957 -13.884 -1.304 534 2HB SER 70 2HB SER 70 -4.785 -14.581 -0.183 535 HG SER 70 HG SER 70 -7.344 -13.556 0.477 536 H ALA 71 H ALA 71 -2.809 -11.621 0.991 537 HA ALA 71 HA ALA 71 -2.958 -12.680 3.581 538 1HB ALA 71 1HB ALA 71 -0.886 -11.883 3.691 539 2HB ALA 71 2HB ALA 71 -1.469 -10.223 3.565 540 3HB ALA 71 3HB ALA 71 -1.127 -11.151 2.104 541 H MET 72 H MET 72 -2.473 -10.428 5.275 542 HA MET 72 HA MET 72 -4.532 -8.520 5.080 543 1HB MET 72 1HB MET 72 -6.052 -9.310 6.802 544 2HB MET 72 2HB MET 72 -6.002 -10.402 5.431 545 1HG MET 72 1HG MET 72 -4.473 -10.841 7.973 546 2HG MET 72 2HG MET 72 -6.069 -11.503 7.660 547 1HE MET 72 1HE MET 72 -3.324 -13.449 8.319 548 2HE MET 72 2HE MET 72 -4.062 -14.731 7.361 549 3HE MET 72 3HE MET 72 -5.071 -13.693 8.369 550 HA PRO 73 HA PRO 73 -3.629 -7.005 4.795 551 1HB PRO 73 1HB PRO 73 -2.251 -4.758 5.047 552 2HB PRO 73 2HB PRO 73 -3.749 -5.006 5.968 553 1HG PRO 73 1HG PRO 73 -0.930 -5.095 6.877 554 2HG PRO 73 2HG PRO 73 -2.387 -4.632 7.767 555 1HD PRO 73 1HD PRO 73 -1.048 -7.157 7.800 556 2HD PRO 73 2HD PRO 73 -2.566 -6.719 8.619 557 H THR 74 H THR 74 -1.833 -5.624 3.339 558 HA THR 74 HA THR 74 0.716 -7.029 3.331 559 HB THR 74 HB THR 74 -1.054 -7.004 0.879 560 HG1 THR 74 HG1 THR 74 -1.848 -8.522 2.307 561 1HG2 THR 74 1HG2 THR 74 0.981 -7.183 -0.087 562 2HG2 THR 74 2HG2 THR 74 0.760 -8.876 0.356 563 3HG2 THR 74 3HG2 THR 74 1.739 -7.824 1.369 564 H LEU 75 H LEU 75 2.235 -6.069 1.713 565 HA LEU 75 HA LEU 75 1.579 -3.241 1.210 566 1HB LEU 75 1HB LEU 75 4.276 -4.379 1.936 567 2HB LEU 75 2HB LEU 75 3.916 -2.692 1.626 568 HG LEU 75 HG LEU 75 2.850 -4.322 3.932 569 1HD1 LEU 75 1HD1 LEU 75 5.232 -2.678 3.543 570 2HD1 LEU 75 2HD1 LEU 75 4.875 -3.895 4.767 571 3HD1 LEU 75 3HD1 LEU 75 4.279 -2.247 4.963 572 1HD2 LEU 75 1HD2 LEU 75 1.819 -1.983 2.727 573 2HD2 LEU 75 2HD2 LEU 75 2.566 -1.501 4.250 574 3HD2 LEU 75 3HD2 LEU 75 1.319 -2.747 4.234 575 H LEU 76 H LEU 76 1.759 -2.586 -0.826 576 HA LEU 76 HA LEU 76 3.403 -4.184 -2.670 577 1HB LEU 76 1HB LEU 76 0.694 -2.946 -3.169 578 2HB LEU 76 2HB LEU 76 1.728 -3.573 -4.450 579 HG LEU 76 HG LEU 76 0.366 -5.113 -2.247 580 1HD1 LEU 76 1HD1 LEU 76 -1.099 -5.705 -3.805 581 2HD1 LEU 76 2HD1 LEU 76 0.178 -6.137 -4.941 582 3HD1 LEU 76 3HD1 LEU 76 -0.388 -4.470 -4.841 583 1HD2 LEU 76 1HD2 LEU 76 2.782 -5.786 -3.814 584 2HD2 LEU 76 2HD2 LEU 76 1.557 -7.046 -3.657 585 3HD2 LEU 76 3HD2 LEU 76 2.275 -6.330 -2.214 586 H LEU 77 H LEU 77 4.891 -3.092 -3.767 587 HA LEU 77 HA LEU 77 4.780 -0.153 -3.683 588 1HB LEU 77 1HB LEU 77 7.140 -2.019 -3.905 589 2HB LEU 77 2HB LEU 77 7.253 -0.274 -4.028 590 HG LEU 77 HG LEU 77 6.389 -0.083 -1.711 591 1HD1 LEU 77 1HD1 LEU 77 6.162 -3.011 -2.044 592 2HD1 LEU 77 2HD1 LEU 77 5.180 -1.893 -1.098 593 3HD1 LEU 77 3HD1 LEU 77 6.743 -2.431 -0.483 594 1HD2 LEU 77 1HD2 LEU 77 8.923 -1.417 -2.446 595 2HD2 LEU 77 2HD2 LEU 77 8.489 -1.422 -0.737 596 3HD2 LEU 77 3HD2 LEU 77 8.643 0.107 -1.603 597 H PHE 78 H PHE 78 4.905 1.026 -5.511 598 HA PHE 78 HA PHE 78 5.435 -0.336 -8.062 599 1HB PHE 78 1HB PHE 78 3.087 1.520 -7.595 600 2HB PHE 78 2HB PHE 78 3.466 0.647 -9.075 601 HD1 PHE 78 HD1 PHE 78 3.513 -1.945 -8.895 602 HD2 PHE 78 HD2 PHE 78 1.623 0.612 -6.068 603 HE1 PHE 78 HE1 PHE 78 2.128 -3.828 -8.123 604 HE2 PHE 78 HE2 PHE 78 0.236 -1.266 -5.293 605 HZ PHE 78 HZ PHE 78 0.482 -3.483 -6.318 606 H LYS 79 H LYS 79 6.848 0.834 -9.293 607 HA LYS 79 HA LYS 79 7.148 3.697 -8.626 608 1HB LYS 79 1HB LYS 79 9.124 1.675 -9.653 609 2HB LYS 79 2HB LYS 79 9.414 3.401 -9.802 610 1HG LYS 79 1HG LYS 79 9.390 3.678 -7.424 611 2HG LYS 79 2HG LYS 79 8.889 2.008 -7.187 612 1HD LYS 79 1HD LYS 79 11.246 2.204 -6.728 613 2HD LYS 79 2HD LYS 79 11.020 1.263 -8.203 614 1HE LYS 79 1HE LYS 79 11.609 4.216 -8.195 615 2HE LYS 79 2HE LYS 79 12.863 2.981 -8.264 616 1HZ LYS 79 1HZ LYS 79 11.112 2.273 -10.236 617 2HZ LYS 79 2HZ LYS 79 12.594 3.060 -10.454 618 3HZ LYS 79 3HZ LYS 79 11.167 3.962 -10.344 619 H ASN 80 H ASN 80 6.720 5.211 -10.119 620 HA ASN 80 HA ASN 80 5.846 6.100 -12.032 621 1HB ASN 80 1HB ASN 80 8.083 4.403 -13.147 622 2HB ASN 80 2HB ASN 80 7.230 5.641 -14.067 623 1HD2 ASN 80 1HD2 ASN 80 8.218 7.505 -14.156 624 2HD2 ASN 80 2HD2 ASN 80 9.285 8.159 -12.963 625 H GLY 81 H GLY 81 4.040 4.364 -11.369 626 1HA GLY 81 1HA GLY 81 2.316 3.082 -12.146 627 2HA GLY 81 2HA GLY 81 2.800 3.599 -13.755 628 H LYS 82 H LYS 82 5.245 1.983 -12.017 629 HA LYS 82 HA LYS 82 4.722 -0.471 -13.558 630 1HB LYS 82 1HB LYS 82 7.370 0.575 -12.537 631 2HB LYS 82 2HB LYS 82 7.133 -0.863 -13.515 632 1HG LYS 82 1HG LYS 82 6.311 0.519 -15.355 633 2HG LYS 82 2HG LYS 82 6.573 1.962 -14.375 634 1HD LYS 82 1HD LYS 82 8.704 0.001 -15.226 635 2HD LYS 82 2HD LYS 82 8.417 1.587 -15.949 636 1HE LYS 82 1HE LYS 82 8.910 2.648 -13.794 637 2HE LYS 82 2HE LYS 82 9.206 1.062 -13.083 638 1HZ LYS 82 1HZ LYS 82 11.124 2.584 -14.097 639 2HZ LYS 82 2HZ LYS 82 10.723 1.697 -15.480 640 3HZ LYS 82 3HZ LYS 82 11.207 0.893 -14.072 641 H GLU 83 H GLU 83 6.751 -1.933 -12.121 642 HA GLU 83 HA GLU 83 5.283 -2.400 -9.620 643 1HB GLU 83 1HB GLU 83 5.250 -4.265 -11.226 644 2HB GLU 83 2HB GLU 83 7.005 -4.279 -11.256 645 1HG GLU 83 1HG GLU 83 7.099 -5.006 -8.977 646 2HG GLU 83 2HG GLU 83 5.352 -4.825 -8.801 647 H VAL 84 H VAL 84 6.786 -3.469 -7.904 648 HA VAL 84 HA VAL 84 9.479 -2.395 -7.949 649 HB VAL 84 HB VAL 84 7.571 -1.747 -5.789 650 1HG1 VAL 84 1HG1 VAL 84 9.289 -1.323 -4.448 651 2HG1 VAL 84 2HG1 VAL 84 10.009 -0.270 -5.666 652 3HG1 VAL 84 3HG1 VAL 84 10.356 -2.000 -5.677 653 1HG2 VAL 84 1HG2 VAL 84 8.927 0.108 -7.710 654 2HG2 VAL 84 2HG2 VAL 84 7.736 0.540 -6.485 655 3HG2 VAL 84 3HG2 VAL 84 7.263 -0.447 -7.864 656 H ALA 85 H ALA 85 7.291 -3.737 -5.491 657 HA ALA 85 HA ALA 85 8.567 -6.273 -5.436 658 1HB ALA 85 1HB ALA 85 9.223 -4.572 -3.046 659 2HB ALA 85 2HB ALA 85 10.321 -4.758 -4.414 660 3HB ALA 85 3HB ALA 85 9.851 -6.167 -3.463 661 H LYS 86 H LYS 86 8.150 -7.087 -2.874 662 HA LYS 86 HA LYS 86 5.414 -6.360 -2.153 663 1HB LYS 86 1HB LYS 86 6.325 -9.133 -2.903 664 2HB LYS 86 2HB LYS 86 4.888 -8.835 -1.934 665 1HG LYS 86 1HG LYS 86 3.876 -7.605 -3.708 666 2HG LYS 86 2HG LYS 86 5.347 -7.701 -4.672 667 1HD LYS 86 1HD LYS 86 3.764 -9.320 -5.497 668 2HD LYS 86 2HD LYS 86 5.100 -10.168 -4.720 669 1HE LYS 86 1HE LYS 86 2.501 -9.543 -3.333 670 2HE LYS 86 2HE LYS 86 2.793 -11.045 -4.206 671 1HZ LYS 86 1HZ LYS 86 3.607 -11.805 -2.301 672 2HZ LYS 86 2HZ LYS 86 3.648 -10.272 -1.593 673 3HZ LYS 86 3HZ LYS 86 4.946 -10.799 -2.541 674 H VAL 87 H VAL 87 4.969 -6.542 -0.003 675 HA VAL 87 HA VAL 87 6.719 -8.058 1.706 676 HB VAL 87 HB VAL 87 6.544 -5.064 2.067 677 1HG1 VAL 87 1HG1 VAL 87 7.466 -7.271 3.796 678 2HG1 VAL 87 2HG1 VAL 87 6.822 -5.687 4.223 679 3HG1 VAL 87 3HG1 VAL 87 8.505 -5.848 3.726 680 1HG2 VAL 87 1HG2 VAL 87 8.025 -5.522 0.254 681 2HG2 VAL 87 2HG2 VAL 87 8.801 -6.831 1.145 682 3HG2 VAL 87 3HG2 VAL 87 9.015 -5.161 1.668 683 H VAL 88 H VAL 88 4.711 -9.141 2.096 684 HA VAL 88 HA VAL 88 2.519 -7.720 3.303 685 HB VAL 88 HB VAL 88 2.000 -9.668 1.962 686 1HG1 VAL 88 1HG1 VAL 88 2.934 -11.769 3.694 687 2HG1 VAL 88 2HG1 VAL 88 4.284 -10.765 3.167 688 3HG1 VAL 88 3HG1 VAL 88 3.227 -11.521 1.973 689 1HG2 VAL 88 1HG2 VAL 88 0.341 -9.453 3.548 690 2HG2 VAL 88 2HG2 VAL 88 1.417 -9.820 4.893 691 3HG2 VAL 88 3HG2 VAL 88 0.873 -11.110 3.823 692 H GLY 89 H GLY 89 2.735 -6.936 5.315 693 1HA GLY 89 1HA GLY 89 2.724 -8.286 7.622 694 2HA GLY 89 2HA GLY 89 4.438 -8.297 7.243 695 H ALA 90 H ALA 90 4.159 -5.585 5.964 696 HA ALA 90 HA ALA 90 4.746 -3.467 6.643 697 1HB ALA 90 1HB ALA 90 2.909 -2.305 7.264 698 2HB ALA 90 2HB ALA 90 2.533 -3.397 8.598 699 3HB ALA 90 3HB ALA 90 2.103 -3.842 6.946 700 H ASN 91 H ASN 91 6.191 -5.418 8.047 701 HA ASN 91 HA ASN 91 6.165 -5.085 10.836 702 1HB ASN 91 1HB ASN 91 7.320 -6.949 9.717 703 2HB ASN 91 2HB ASN 91 8.488 -5.820 9.038 704 1HD2 ASN 91 1HD2 ASN 91 8.040 -8.015 11.395 705 2HD2 ASN 91 2HD2 ASN 91 9.172 -7.437 12.567 706 HA PRO 92 HA PRO 92 7.597 -0.948 11.505 707 1HB PRO 92 1HB PRO 92 9.156 -2.307 13.671 708 2HB PRO 92 2HB PRO 92 8.182 -0.832 13.744 709 1HG PRO 92 1HG PRO 92 7.191 -3.088 14.691 710 2HG PRO 92 2HG PRO 92 6.170 -2.007 13.720 711 1HD PRO 92 1HD PRO 92 7.468 -4.585 12.949 712 2HD PRO 92 2HD PRO 92 5.887 -3.929 12.473 713 H ALA 93 H ALA 93 9.792 -3.659 11.190 714 HA ALA 93 HA ALA 93 11.950 -1.804 10.436 715 1HB ALA 93 1HB ALA 93 12.626 -3.125 12.300 716 2HB ALA 93 2HB ALA 93 13.477 -3.735 10.879 717 3HB ALA 93 3HB ALA 93 12.084 -4.611 11.517 718 H ALA 94 H ALA 94 9.767 -2.701 8.680 719 HA ALA 94 HA ALA 94 11.455 -3.799 6.567 720 1HB ALA 94 1HB ALA 94 10.292 -5.736 7.428 721 2HB ALA 94 2HB ALA 94 9.659 -5.327 5.833 722 3HB ALA 94 3HB ALA 94 8.745 -4.904 7.280 723 H ILE 95 H ILE 95 8.100 -2.726 7.126 724 HA ILE 95 HA ILE 95 7.668 -1.729 4.564 725 HB ILE 95 HB ILE 95 5.839 -2.059 6.089 726 1HG1 ILE 95 1HG1 ILE 95 4.587 -0.021 5.783 727 2HG1 ILE 95 2HG1 ILE 95 6.065 0.915 5.593 728 1HG2 ILE 95 1HG2 ILE 95 7.428 -0.279 7.822 729 2HG2 ILE 95 2HG2 ILE 95 6.426 -1.671 8.232 730 3HG2 ILE 95 3HG2 ILE 95 5.676 -0.109 7.910 731 1HD1 ILE 95 1HD1 ILE 95 5.756 0.676 3.409 732 2HD1 ILE 95 2HD1 ILE 95 4.543 -0.582 3.641 733 3HD1 ILE 95 3HD1 ILE 95 6.254 -1.000 3.620 734 H LYS 96 H LYS 96 9.908 -0.633 6.810 735 HA LYS 96 HA LYS 96 9.745 2.168 6.008 736 1HB LYS 96 1HB LYS 96 11.566 2.522 7.624 737 2HB LYS 96 2HB LYS 96 10.190 1.710 8.359 738 1HG LYS 96 1HG LYS 96 11.367 -0.436 8.152 739 2HG LYS 96 2HG LYS 96 12.755 0.409 7.464 740 1HD LYS 96 1HD LYS 96 11.598 0.870 10.212 741 2HD LYS 96 2HD LYS 96 13.064 -0.042 9.852 742 1HE LYS 96 1HE LYS 96 12.609 2.885 9.286 743 2HE LYS 96 2HE LYS 96 13.593 2.223 10.592 744 1HZ LYS 96 1HZ LYS 96 15.284 2.290 9.179 745 2HZ LYS 96 2HZ LYS 96 14.283 2.667 7.870 746 3HZ LYS 96 3HZ LYS 96 14.545 1.051 8.294 747 H GLN 97 H GLN 97 12.062 -0.520 5.882 748 HA GLN 97 HA GLN 97 13.957 0.878 4.291 749 1HB GLN 97 1HB GLN 97 13.568 -2.098 4.677 750 2HB GLN 97 2HB GLN 97 14.985 -1.342 3.961 751 1HG GLN 97 1HG GLN 97 15.447 -0.207 6.076 752 2HG GLN 97 2HG GLN 97 14.029 -0.971 6.792 753 1HE2 GLN 97 1HE2 GLN 97 14.502 -2.632 8.020 754 2HE2 GLN 97 2HE2 GLN 97 15.811 -3.736 7.793 755 H ALA 98 H ALA 98 11.160 -1.101 3.619 756 HA ALA 98 HA ALA 98 11.649 -1.651 0.906 757 1HB ALA 98 1HB ALA 98 9.754 -2.432 2.616 758 2HB ALA 98 2HB ALA 98 9.560 -2.537 0.866 759 3HB ALA 98 3HB ALA 98 8.851 -1.187 1.753 760 H ILE 99 H ILE 99 10.526 1.195 2.542 761 HA ILE 99 HA ILE 99 9.669 2.485 0.081 762 HB ILE 99 HB ILE 99 9.794 3.575 2.898 763 1HG1 ILE 99 1HG1 ILE 99 7.461 2.468 1.322 764 2HG1 ILE 99 2HG1 ILE 99 8.254 1.670 2.676 765 1HG2 ILE 99 1HG2 ILE 99 9.817 5.396 1.364 766 2HG2 ILE 99 2HG2 ILE 99 8.168 5.255 1.970 767 3HG2 ILE 99 3HG2 ILE 99 8.572 4.651 0.363 768 1HD1 ILE 99 1HD1 ILE 99 6.048 3.317 2.798 769 2HD1 ILE 99 2HD1 ILE 99 7.370 4.338 3.357 770 3HD1 ILE 99 3HD1 ILE 99 7.048 2.799 4.154 771 H ALA 100 H ALA 100 12.556 2.085 1.780 772 HA ALA 100 HA ALA 100 13.673 4.663 1.033 773 1HB ALA 100 1HB ALA 100 14.123 3.038 3.172 774 2HB ALA 100 2HB ALA 100 15.204 4.324 2.632 775 3HB ALA 100 3HB ALA 100 15.498 2.657 2.136 776 H ALA 101 H ALA 101 14.961 1.363 0.735 777 HA ALA 101 HA ALA 101 16.773 1.791 -1.263 778 1HB ALA 101 1HB ALA 101 16.807 -0.534 -1.630 779 2HB ALA 101 2HB ALA 101 15.122 -0.717 -1.144 780 3HB ALA 101 3HB ALA 101 16.352 -0.330 0.061 781 H ASN 102 H ASN 102 13.299 1.542 -1.572 782 HA ASN 102 HA ASN 102 13.448 1.368 -4.462 783 1HB ASN 102 1HB ASN 102 11.196 1.356 -2.465 784 2HB ASN 102 2HB ASN 102 10.911 1.461 -4.204 785 1HD2 ASN 102 1HD2 ASN 102 10.958 -0.611 -1.724 786 2HD2 ASN 102 2HD2 ASN 102 11.374 -2.073 -2.542 787 H ALA 103 H ALA 103 12.228 3.636 -2.005 788 HA ALA 103 HA ALA 103 11.830 5.669 -4.057 789 1HB ALA 103 1HB ALA 103 10.321 5.106 -1.944 790 2HB ALA 103 2HB ALA 103 10.443 6.736 -2.604 791 3HB ALA 103 3HB ALA 103 11.393 6.287 -1.189 Start of MODEL 14 1 1H MET 1 1H MET 1 -0.389 13.093 3.479 2 2H MET 1 2H MET 1 -0.578 12.095 2.095 3 3H MET 1 3H MET 1 0.372 11.559 3.419 4 HA MET 1 HA MET 1 -1.526 11.469 4.810 5 1HB MET 1 1HB MET 1 -3.749 11.927 3.869 6 2HB MET 1 2HB MET 1 -2.721 13.351 3.798 7 1HG MET 1 1HG MET 1 -2.279 12.916 1.437 8 2HG MET 1 2HG MET 1 -3.309 11.486 1.509 9 1HE MET 1 1HE MET 1 -5.463 13.960 -0.620 10 2HE MET 1 2HE MET 1 -4.682 12.380 -0.556 11 3HE MET 1 3HE MET 1 -3.704 13.846 -0.641 12 H VAL 2 H VAL 2 -3.631 9.960 4.160 13 HA VAL 2 HA VAL 2 -2.748 7.907 2.274 14 HB VAL 2 HB VAL 2 -3.549 7.233 5.107 15 1HG1 VAL 2 1HG1 VAL 2 -3.915 5.650 3.028 16 2HG1 VAL 2 2HG1 VAL 2 -3.343 5.020 4.573 17 3HG1 VAL 2 3HG1 VAL 2 -2.199 5.327 3.266 18 1HG2 VAL 2 1HG2 VAL 2 -1.229 6.635 5.492 19 2HG2 VAL 2 2HG2 VAL 2 -1.350 8.331 5.026 20 3HG2 VAL 2 3HG2 VAL 2 -0.806 7.131 3.853 21 H THR 3 H THR 3 -4.407 6.786 1.307 22 HA THR 3 HA THR 3 -7.123 7.154 2.312 23 HB THR 3 HB THR 3 -6.258 7.920 -0.481 24 HG1 THR 3 HG1 THR 3 -5.888 9.480 1.195 25 1HG2 THR 3 1HG2 THR 3 -8.389 7.020 -0.790 26 2HG2 THR 3 2HG2 THR 3 -8.648 8.758 -0.631 27 3HG2 THR 3 3HG2 THR 3 -8.988 7.688 0.729 28 H GLN 4 H GLN 4 -8.701 5.779 1.217 29 HA GLN 4 HA GLN 4 -7.553 3.163 0.595 30 1HB GLN 4 1HB GLN 4 -10.459 3.959 0.863 31 2HB GLN 4 2HB GLN 4 -9.806 2.328 0.880 32 1HG GLN 4 1HG GLN 4 -8.756 2.706 2.991 33 2HG GLN 4 2HG GLN 4 -9.202 4.410 2.965 34 1HE2 GLN 4 1HE2 GLN 4 -10.834 4.864 4.241 35 2HE2 GLN 4 2HE2 GLN 4 -12.160 3.825 4.621 36 H PHE 5 H PHE 5 -8.849 1.902 -1.130 37 HA PHE 5 HA PHE 5 -9.508 3.633 -3.410 38 1HB PHE 5 1HB PHE 5 -7.835 1.118 -3.451 39 2HB PHE 5 2HB PHE 5 -8.538 1.841 -4.904 40 HD1 PHE 5 HD1 PHE 5 -8.142 4.740 -4.118 41 HD2 PHE 5 HD2 PHE 5 -5.551 1.364 -3.964 42 HE1 PHE 5 HE1 PHE 5 -6.196 6.228 -4.371 43 HE2 PHE 5 HE2 PHE 5 -3.606 2.849 -4.212 44 HZ PHE 5 HZ PHE 5 -3.927 5.278 -4.421 45 H LYS 6 H LYS 6 -11.381 3.187 -4.406 46 HA LYS 6 HA LYS 6 -12.747 0.689 -3.643 47 1HB LYS 6 1HB LYS 6 -13.970 3.406 -4.142 48 2HB LYS 6 2HB LYS 6 -14.870 1.938 -3.789 49 1HG LYS 6 1HG LYS 6 -12.891 3.266 -1.950 50 2HG LYS 6 2HG LYS 6 -14.648 3.360 -1.823 51 1HD LYS 6 1HD LYS 6 -14.745 0.926 -1.513 52 2HD LYS 6 2HD LYS 6 -12.984 0.852 -1.613 53 1HE LYS 6 1HE LYS 6 -14.581 2.344 0.466 54 2HE LYS 6 2HE LYS 6 -13.748 0.809 0.708 55 1HZ LYS 6 1HZ LYS 6 -11.650 1.918 0.244 56 2HZ LYS 6 2HZ LYS 6 -12.445 2.660 1.540 57 3HZ LYS 6 3HZ LYS 6 -12.451 3.390 0.015 58 H THR 7 H THR 7 -12.109 2.989 -6.250 59 HA THR 7 HA THR 7 -13.275 1.017 -8.108 60 HB THR 7 HB THR 7 -13.927 2.892 -9.578 61 HG1 THR 7 HG1 THR 7 -12.915 4.681 -9.160 62 1HG2 THR 7 1HG2 THR 7 -15.619 2.056 -8.063 63 2HG2 THR 7 2HG2 THR 7 -15.766 3.803 -8.257 64 3HG2 THR 7 3HG2 THR 7 -15.041 3.135 -6.794 65 H ALA 8 H ALA 8 -12.251 0.718 -10.092 66 HA ALA 8 HA ALA 8 -9.423 1.167 -10.047 67 1HB ALA 8 1HB ALA 8 -10.696 -0.852 -11.036 68 2HB ALA 8 2HB ALA 8 -9.296 -0.234 -11.911 69 3HB ALA 8 3HB ALA 8 -10.923 0.176 -12.452 70 H SER 9 H SER 9 -8.863 3.182 -10.213 71 HA SER 9 HA SER 9 -8.408 4.547 -12.480 72 1HB SER 9 1HB SER 9 -10.787 4.675 -13.007 73 2HB SER 9 2HB SER 9 -11.137 5.341 -11.412 74 HG SER 9 HG SER 9 -9.466 6.584 -13.340 75 H GLU 10 H GLU 10 -9.328 4.565 -9.162 76 HA GLU 10 HA GLU 10 -8.201 7.154 -8.603 77 1HB GLU 10 1HB GLU 10 -9.291 5.006 -6.783 78 2HB GLU 10 2HB GLU 10 -8.732 6.582 -6.234 79 1HG GLU 10 1HG GLU 10 -10.462 7.662 -7.577 80 2HG GLU 10 2HG GLU 10 -11.018 6.082 -8.129 81 H PHE 11 H PHE 11 -7.333 3.811 -8.391 82 HA PHE 11 HA PHE 11 -4.871 4.366 -6.981 83 1HB PHE 11 1HB PHE 11 -6.264 2.341 -6.478 84 2HB PHE 11 2HB PHE 11 -5.868 1.733 -8.079 85 HD1 PHE 11 HD1 PHE 11 -5.218 -0.172 -6.325 86 HD2 PHE 11 HD2 PHE 11 -3.043 3.434 -6.950 87 HE1 PHE 11 HE1 PHE 11 -3.197 -1.229 -5.403 88 HE2 PHE 11 HE2 PHE 11 -1.021 2.379 -6.041 89 HZ PHE 11 HZ PHE 11 -1.098 0.047 -5.266 90 H ASP 12 H ASP 12 -5.965 3.207 -10.137 91 HA ASP 12 HA ASP 12 -3.606 2.579 -11.374 92 1HB ASP 12 1HB ASP 12 -5.816 2.342 -12.432 93 2HB ASP 12 2HB ASP 12 -5.924 4.091 -12.600 94 H SER 13 H SER 13 -4.924 5.791 -10.769 95 HA SER 13 HA SER 13 -2.914 7.165 -12.272 96 1HB SER 13 1HB SER 13 -4.824 8.191 -10.156 97 2HB SER 13 2HB SER 13 -3.840 9.200 -11.217 98 HG SER 13 HG SER 13 -5.969 8.930 -12.014 99 H ALA 14 H ALA 14 -3.276 6.095 -8.970 100 HA ALA 14 HA ALA 14 -1.323 7.681 -7.741 101 1HB ALA 14 1HB ALA 14 -1.275 5.159 -6.490 102 2HB ALA 14 2HB ALA 14 -2.927 5.416 -7.049 103 3HB ALA 14 3HB ALA 14 -2.161 6.601 -5.994 104 H ILE 15 H ILE 15 -1.075 4.721 -9.611 105 HA ILE 15 HA ILE 15 1.778 4.499 -9.082 106 HB ILE 15 HB ILE 15 1.698 2.472 -10.461 107 1HG1 ILE 15 1HG1 ILE 15 -1.245 3.135 -10.720 108 2HG1 ILE 15 2HG1 ILE 15 -0.067 3.058 -12.026 109 1HG2 ILE 15 1HG2 ILE 15 1.071 2.638 -7.959 110 2HG2 ILE 15 2HG2 ILE 15 0.742 1.139 -8.829 111 3HG2 ILE 15 3HG2 ILE 15 -0.565 2.281 -8.516 112 1HD1 ILE 15 1HD1 ILE 15 -1.737 1.029 -11.180 113 2HD1 ILE 15 2HD1 ILE 15 -0.156 0.587 -10.535 114 3HD1 ILE 15 3HD1 ILE 15 -0.356 0.877 -12.264 115 H ALA 16 H ALA 16 -0.336 4.959 -11.910 116 HA ALA 16 HA ALA 16 1.470 5.111 -13.922 117 1HB ALA 16 1HB ALA 16 -0.749 5.349 -14.555 118 2HB ALA 16 2HB ALA 16 -0.070 6.943 -14.884 119 3HB ALA 16 3HB ALA 16 -1.033 6.676 -13.430 120 H GLN 17 H GLN 17 3.461 5.936 -13.497 121 HA GLN 17 HA GLN 17 5.108 7.452 -13.055 122 1HB GLN 17 1HB GLN 17 3.164 9.139 -14.632 123 2HB GLN 17 2HB GLN 17 4.842 9.573 -14.325 124 1HG GLN 17 1HG GLN 17 4.067 7.012 -15.670 125 2HG GLN 17 2HG GLN 17 4.314 8.513 -16.567 126 1HE2 GLN 17 1HE2 GLN 17 5.741 5.728 -15.782 127 2HE2 GLN 17 2HE2 GLN 17 7.400 6.208 -15.784 128 H ASP 18 H ASP 18 4.776 7.513 -10.753 129 HA ASP 18 HA ASP 18 4.292 10.149 -9.795 130 1HB ASP 18 1HB ASP 18 1.971 9.356 -9.995 131 2HB ASP 18 2HB ASP 18 2.352 7.986 -8.958 132 H LYS 19 H LYS 19 6.527 8.492 -9.674 133 HA LYS 19 HA LYS 19 8.147 7.844 -8.212 134 1HB LYS 19 1HB LYS 19 6.278 9.112 -6.224 135 2HB LYS 19 2HB LYS 19 7.922 8.629 -5.860 136 1HG LYS 19 1HG LYS 19 7.964 10.956 -6.226 137 2HG LYS 19 2HG LYS 19 8.678 10.205 -7.654 138 1HD LYS 19 1HD LYS 19 6.648 10.516 -8.903 139 2HD LYS 19 2HD LYS 19 5.800 11.090 -7.466 140 1HE LYS 19 1HE LYS 19 6.439 12.947 -8.908 141 2HE LYS 19 2HE LYS 19 7.289 13.024 -7.365 142 1HZ LYS 19 1HZ LYS 19 9.272 12.668 -8.340 143 2HZ LYS 19 2HZ LYS 19 8.497 13.278 -9.713 144 3HZ LYS 19 3HZ LYS 19 8.652 11.607 -9.503 145 H LEU 20 H LEU 20 7.826 6.895 -5.533 146 HA LEU 20 HA LEU 20 6.670 4.285 -6.142 147 1HB LEU 20 1HB LEU 20 8.982 4.313 -5.367 148 2HB LEU 20 2HB LEU 20 8.501 5.190 -3.915 149 HG LEU 20 HG LEU 20 7.165 3.239 -3.201 150 1HD1 LEU 20 1HD1 LEU 20 8.410 1.325 -4.978 151 2HD1 LEU 20 2HD1 LEU 20 7.375 2.457 -5.848 152 3HD1 LEU 20 3HD1 LEU 20 6.718 1.507 -4.517 153 1HD2 LEU 20 1HD2 LEU 20 9.172 3.156 -2.132 154 2HD2 LEU 20 2HD2 LEU 20 10.097 3.130 -3.633 155 3HD2 LEU 20 3HD2 LEU 20 9.296 1.664 -3.064 156 H VAL 21 H VAL 21 4.701 3.872 -5.471 157 HA VAL 21 HA VAL 21 3.717 5.185 -3.028 158 HB VAL 21 HB VAL 21 2.071 4.112 -5.325 159 1HG1 VAL 21 1HG1 VAL 21 0.222 4.524 -4.130 160 2HG1 VAL 21 2HG1 VAL 21 0.867 6.027 -3.469 161 3HG1 VAL 21 3HG1 VAL 21 1.295 4.482 -2.732 162 1HG2 VAL 21 1HG2 VAL 21 2.887 5.984 -6.317 163 2HG2 VAL 21 2HG2 VAL 21 3.253 6.772 -4.782 164 3HG2 VAL 21 3HG2 VAL 21 1.596 6.740 -5.383 165 H VAL 22 H VAL 22 3.350 3.909 -1.340 166 HA VAL 22 HA VAL 22 3.264 1.008 -1.761 167 HB VAL 22 HB VAL 22 3.646 2.551 0.810 168 1HG1 VAL 22 1HG1 VAL 22 2.931 0.551 1.617 169 2HG1 VAL 22 2HG1 VAL 22 4.623 0.131 1.355 170 3HG1 VAL 22 3HG1 VAL 22 3.405 -0.331 0.166 171 1HG2 VAL 22 1HG2 VAL 22 5.992 1.297 0.388 172 2HG2 VAL 22 2HG2 VAL 22 5.662 2.953 -0.118 173 3HG2 VAL 22 3HG2 VAL 22 5.512 1.630 -1.276 174 H VAL 23 H VAL 23 1.294 0.187 -1.955 175 HA VAL 23 HA VAL 23 -0.888 1.357 -0.365 176 HB VAL 23 HB VAL 23 -1.117 -0.365 -2.838 177 1HG1 VAL 23 1HG1 VAL 23 -3.464 0.436 -2.829 178 2HG1 VAL 23 2HG1 VAL 23 -3.166 1.189 -1.262 179 3HG1 VAL 23 3HG1 VAL 23 -3.061 -0.564 -1.431 180 1HG2 VAL 23 1HG2 VAL 23 -2.032 2.011 -3.634 181 2HG2 VAL 23 2HG2 VAL 23 -0.344 1.536 -3.803 182 3HG2 VAL 23 3HG2 VAL 23 -0.840 2.556 -2.453 183 H ASP 24 H ASP 24 -2.057 0.125 1.005 184 HA ASP 24 HA ASP 24 -1.081 -2.593 1.486 185 1HB ASP 24 1HB ASP 24 -1.000 -1.092 3.403 186 2HB ASP 24 2HB ASP 24 -2.722 -0.731 3.223 187 H PHE 25 H PHE 25 -2.304 -4.330 1.061 188 HA PHE 25 HA PHE 25 -5.041 -3.913 0.142 189 1HB PHE 25 1HB PHE 25 -3.004 -6.104 -0.211 190 2HB PHE 25 2HB PHE 25 -4.701 -6.358 -0.605 191 HD1 PHE 25 HD1 PHE 25 -2.199 -3.641 -1.251 192 HD2 PHE 25 HD2 PHE 25 -5.131 -6.295 -2.803 193 HE1 PHE 25 HE1 PHE 25 -1.784 -2.759 -3.512 194 HE2 PHE 25 HE2 PHE 25 -4.742 -5.415 -5.060 195 HZ PHE 25 HZ PHE 25 -3.072 -3.639 -5.423 196 H TYR 26 H TYR 26 -4.842 -3.630 2.819 197 HA TYR 26 HA TYR 26 -4.946 -5.805 4.483 198 1HB TYR 26 1HB TYR 26 -6.575 -4.384 5.861 199 2HB TYR 26 2HB TYR 26 -5.001 -3.688 5.502 200 HD1 TYR 26 HD1 TYR 26 -8.327 -3.834 3.767 201 HD2 TYR 26 HD2 TYR 26 -5.073 -1.418 5.057 202 HE1 TYR 26 HE1 TYR 26 -9.416 -1.858 2.803 203 HE2 TYR 26 HE2 TYR 26 -6.162 0.557 4.140 204 HH TYR 26 HH TYR 26 -7.936 0.924 2.161 205 H ALA 27 H ALA 27 -6.316 -7.447 4.884 206 HA ALA 27 HA ALA 27 -8.334 -8.104 3.049 207 1HB ALA 27 1HB ALA 27 -7.706 -9.165 5.788 208 2HB ALA 27 2HB ALA 27 -7.326 -9.882 4.223 209 3HB ALA 27 3HB ALA 27 -8.996 -9.825 4.784 210 H THR 28 H THR 28 -10.567 -8.047 3.163 211 HA THR 28 HA THR 28 -11.658 -5.821 4.558 212 HB THR 28 HB THR 28 -12.505 -6.418 2.367 213 HG1 THR 28 HG1 THR 28 -13.949 -5.522 4.007 214 1HG2 THR 28 1HG2 THR 28 -13.960 -8.793 3.386 215 2HG2 THR 28 2HG2 THR 28 -12.267 -8.986 2.932 216 3HG2 THR 28 3HG2 THR 28 -13.433 -8.396 1.749 217 H TRP 29 H TRP 29 -11.324 -9.162 5.287 218 HA TRP 29 HA TRP 29 -13.406 -9.090 7.332 219 1HB TRP 29 1HB TRP 29 -12.757 -11.531 7.623 220 2HB TRP 29 2HB TRP 29 -13.460 -11.090 6.059 221 HD1 TRP 29 HD1 TRP 29 -11.778 -11.031 3.940 222 HE1 TRP 29 HE1 TRP 29 -9.534 -12.222 3.526 223 HE3 TRP 29 HE3 TRP 29 -10.655 -12.338 8.752 224 HZ2 TRP 29 HZ2 TRP 29 -7.547 -13.531 5.039 225 HZ3 TRP 29 HZ3 TRP 29 -8.560 -13.550 9.186 226 HH2 TRP 29 HH2 TRP 29 -7.039 -14.136 7.367 227 H CYS 30 H CYS 30 -9.900 -9.441 7.031 228 HA CYS 30 HA CYS 30 -9.082 -10.188 9.493 229 1HB CYS 30 1HB CYS 30 -7.549 -9.599 7.671 230 2HB CYS 30 2HB CYS 30 -7.908 -7.890 7.913 231 HG CYS 30 HG CYS 30 -5.726 -8.326 9.171 232 H GLY 31 H GLY 31 -8.883 -9.374 11.523 233 1HA GLY 31 1HA GLY 31 -10.530 -7.063 12.150 234 2HA GLY 31 2HA GLY 31 -9.823 -8.183 13.302 235 HA PRO 32 HA PRO 32 -6.465 -5.399 13.990 236 1HB PRO 32 1HB PRO 32 -4.198 -6.830 13.890 237 2HB PRO 32 2HB PRO 32 -5.425 -7.116 15.130 238 1HG PRO 32 1HG PRO 32 -4.884 -8.636 12.610 239 2HG PRO 32 2HG PRO 32 -5.270 -9.250 14.226 240 1HD PRO 32 1HD PRO 32 -7.098 -9.015 12.191 241 2HD PRO 32 2HD PRO 32 -7.522 -8.994 13.913 242 H CYS 33 H CYS 33 -7.275 -4.974 11.413 243 HA CYS 33 HA CYS 33 -4.726 -4.477 10.019 244 1HB CYS 33 1HB CYS 33 -5.904 -4.783 7.873 245 2HB CYS 33 2HB CYS 33 -5.927 -6.253 8.856 246 HG CYS 33 HG CYS 33 -8.385 -4.507 8.179 247 H LYS 34 H LYS 34 -7.586 -3.175 11.324 248 HA LYS 34 HA LYS 34 -7.791 -0.898 9.586 249 1HB LYS 34 1HB LYS 34 -9.762 -1.769 10.750 250 2HB LYS 34 2HB LYS 34 -9.013 -1.418 12.302 251 1HG LYS 34 1HG LYS 34 -9.044 0.968 11.784 252 2HG LYS 34 2HG LYS 34 -9.786 0.618 10.222 253 1HD LYS 34 1HD LYS 34 -11.464 1.324 11.844 254 2HD LYS 34 2HD LYS 34 -11.724 -0.352 11.360 255 1HE LYS 34 1HE LYS 34 -10.626 -1.116 13.405 256 2HE LYS 34 2HE LYS 34 -10.345 0.557 13.884 257 1HZ LYS 34 1HZ LYS 34 -12.428 -0.829 14.709 258 2HZ LYS 34 2HZ LYS 34 -13.096 -0.200 13.288 259 3HZ LYS 34 3HZ LYS 34 -12.494 0.846 14.473 260 H MET 35 H MET 35 -6.027 -1.687 12.463 261 HA MET 35 HA MET 35 -5.489 1.006 13.270 262 1HB MET 35 1HB MET 35 -4.060 -1.573 13.928 263 2HB MET 35 2HB MET 35 -3.767 -0.031 14.718 264 1HG MET 35 1HG MET 35 -6.078 -0.010 15.524 265 2HG MET 35 2HG MET 35 -6.356 -1.566 14.745 266 1HE MET 35 1HE MET 35 -6.531 -1.262 18.455 267 2HE MET 35 2HE MET 35 -6.600 -2.969 18.019 268 3HE MET 35 3HE MET 35 -7.374 -1.765 16.990 269 H ILE 36 H ILE 36 -4.660 -0.482 10.536 270 HA ILE 36 HA ILE 36 -1.865 0.106 10.339 271 HB ILE 36 HB ILE 36 -3.858 -0.522 8.166 272 1HG1 ILE 36 1HG1 ILE 36 -1.997 -2.402 9.630 273 2HG1 ILE 36 2HG1 ILE 36 -3.720 -2.255 9.960 274 1HG2 ILE 36 1HG2 ILE 36 -2.188 -0.180 6.772 275 2HG2 ILE 36 2HG2 ILE 36 -1.270 -1.457 7.567 276 3HG2 ILE 36 3HG2 ILE 36 -1.111 0.215 8.110 277 1HD1 ILE 36 1HD1 ILE 36 -2.386 -3.274 7.477 278 2HD1 ILE 36 2HD1 ILE 36 -4.097 -2.845 7.537 279 3HD1 ILE 36 3HD1 ILE 36 -3.473 -4.130 8.571 280 H ALA 37 H ALA 37 -4.863 1.619 9.259 281 HA ALA 37 HA ALA 37 -4.069 3.479 7.466 282 1HB ALA 37 1HB ALA 37 -6.349 3.392 7.975 283 2HB ALA 37 2HB ALA 37 -5.834 4.993 8.510 284 3HB ALA 37 3HB ALA 37 -6.070 3.703 9.688 285 HA PRO 38 HA PRO 38 -2.644 6.537 10.938 286 1HB PRO 38 1HB PRO 38 -1.701 5.343 13.226 287 2HB PRO 38 2HB PRO 38 -3.324 6.024 13.050 288 1HG PRO 38 1HG PRO 38 -2.432 3.192 12.944 289 2HG PRO 38 2HG PRO 38 -3.942 3.873 13.566 290 1HD PRO 38 1HD PRO 38 -3.715 2.613 11.159 291 2HD PRO 38 2HD PRO 38 -4.942 3.829 11.503 292 H MET 39 H MET 39 -1.087 3.323 11.044 293 HA MET 39 HA MET 39 1.547 4.267 11.173 294 1HB MET 39 1HB MET 39 0.234 1.708 10.370 295 2HB MET 39 2HB MET 39 1.933 1.939 10.022 296 1HG MET 39 1HG MET 39 0.709 2.210 12.740 297 2HG MET 39 2HG MET 39 1.499 0.753 12.146 298 1HE MET 39 1HE MET 39 3.564 0.841 14.278 299 2HE MET 39 2HE MET 39 2.150 1.799 14.717 300 3HE MET 39 3HE MET 39 3.766 2.478 14.903 301 H ILE 40 H ILE 40 -0.253 2.961 8.380 302 HA ILE 40 HA ILE 40 1.491 3.462 6.354 303 HB ILE 40 HB ILE 40 -1.506 3.883 6.311 304 1HG1 ILE 40 1HG1 ILE 40 0.240 1.527 5.571 305 2HG1 ILE 40 2HG1 ILE 40 -0.888 1.625 6.917 306 1HG2 ILE 40 1HG2 ILE 40 0.411 3.591 3.996 307 2HG2 ILE 40 2HG2 ILE 40 -0.474 5.051 4.436 308 3HG2 ILE 40 3HG2 ILE 40 -1.348 3.628 3.875 309 1HD1 ILE 40 1HD1 ILE 40 -1.592 0.344 4.811 310 2HD1 ILE 40 2HD1 ILE 40 -1.830 1.936 4.096 311 3HD1 ILE 40 3HD1 ILE 40 -2.749 1.467 5.526 312 H GLU 41 H GLU 41 -0.332 5.791 8.183 313 HA GLU 41 HA GLU 41 0.202 7.998 6.411 314 1HB GLU 41 1HB GLU 41 -1.829 7.953 7.771 315 2HB GLU 41 2HB GLU 41 -0.864 7.912 9.240 316 1HG GLU 41 1HG GLU 41 0.020 10.128 8.725 317 2HG GLU 41 2HG GLU 41 -0.941 10.170 7.248 318 H LYS 42 H LYS 42 1.423 6.832 9.531 319 HA LYS 42 HA LYS 42 3.169 8.949 10.077 320 1HB LYS 42 1HB LYS 42 3.350 6.033 10.844 321 2HB LYS 42 2HB LYS 42 4.388 7.288 11.502 322 1HG LYS 42 1HG LYS 42 2.455 8.417 12.450 323 2HG LYS 42 2HG LYS 42 1.391 7.191 11.761 324 1HD LYS 42 1HD LYS 42 1.816 6.750 14.121 325 2HD LYS 42 2HD LYS 42 2.498 5.475 13.110 326 1HE LYS 42 1HE LYS 42 4.706 6.506 13.296 327 2HE LYS 42 2HE LYS 42 4.026 7.788 14.297 328 1HZ LYS 42 1HZ LYS 42 3.233 5.632 15.639 329 2HZ LYS 42 2HZ LYS 42 4.688 6.438 15.949 330 3HZ LYS 42 3HZ LYS 42 4.680 5.046 14.987 331 H PHE 43 H PHE 43 3.494 6.202 7.943 332 HA PHE 43 HA PHE 43 6.321 6.488 7.608 333 1HB PHE 43 1HB PHE 43 4.243 4.924 6.088 334 2HB PHE 43 2HB PHE 43 5.943 4.936 5.632 335 HD1 PHE 43 HD1 PHE 43 3.833 4.376 8.668 336 HD2 PHE 43 HD2 PHE 43 7.272 3.256 6.422 337 HE1 PHE 43 HE1 PHE 43 4.286 2.566 10.269 338 HE2 PHE 43 HE2 PHE 43 7.728 1.442 8.021 339 HZ PHE 43 HZ PHE 43 6.234 1.096 9.947 340 H SER 44 H SER 44 3.555 7.979 6.217 341 HA SER 44 HA SER 44 4.864 8.816 3.800 342 1HB SER 44 1HB SER 44 2.873 10.181 3.412 343 2HB SER 44 2HB SER 44 2.405 8.550 3.915 344 HG SER 44 HG SER 44 1.480 10.645 4.957 345 H GLU 45 H GLU 45 5.267 9.695 6.964 346 HA GLU 45 HA GLU 45 5.685 12.532 6.474 347 1HB GLU 45 1HB GLU 45 6.087 10.881 8.976 348 2HB GLU 45 2HB GLU 45 6.236 12.630 8.878 349 1HG GLU 45 1HG GLU 45 3.877 12.799 8.273 350 2HG GLU 45 2HG GLU 45 3.728 11.045 8.365 351 H GLN 46 H GLN 46 7.486 9.577 6.779 352 HA GLN 46 HA GLN 46 10.034 10.966 6.955 353 1HB GLN 46 1HB GLN 46 9.342 8.028 6.873 354 2HB GLN 46 2HB GLN 46 10.981 8.656 7.008 355 1HG GLN 46 1HG GLN 46 10.387 9.752 9.104 356 2HG GLN 46 2HG GLN 46 8.749 9.116 8.970 357 1HE2 GLN 46 1HE2 GLN 46 8.394 7.425 10.195 358 2HE2 GLN 46 2HE2 GLN 46 9.558 6.203 10.627 359 H TYR 47 H TYR 47 8.041 9.365 4.598 360 HA TYR 47 HA TYR 47 10.109 9.885 2.563 361 1HB TYR 47 1HB TYR 47 8.091 7.634 2.579 362 2HB TYR 47 2HB TYR 47 9.287 7.940 1.323 363 HD1 TYR 47 HD1 TYR 47 11.781 7.955 2.116 364 HD2 TYR 47 HD2 TYR 47 8.591 6.177 4.291 365 HE1 TYR 47 HE1 TYR 47 13.399 6.549 3.321 366 HE2 TYR 47 HE2 TYR 47 10.200 4.751 5.499 367 HH TYR 47 HH TYR 47 12.479 3.871 5.184 368 HA PRO 48 HA PRO 48 5.844 12.239 2.157 369 1HB PRO 48 1HB PRO 48 8.028 14.164 1.471 370 2HB PRO 48 2HB PRO 48 6.459 14.476 2.220 371 1HG PRO 48 1HG PRO 48 8.714 14.317 3.674 372 2HG PRO 48 2HG PRO 48 7.151 13.758 4.295 373 1HD PRO 48 1HD PRO 48 9.512 12.192 3.505 374 2HD PRO 48 2HD PRO 48 8.123 11.716 4.504 375 H GLN 49 H GLN 49 8.755 11.894 0.235 376 HA GLN 49 HA GLN 49 7.734 12.766 -2.228 377 1HB GLN 49 1HB GLN 49 9.866 10.687 -1.701 378 2HB GLN 49 2HB GLN 49 9.569 11.469 -3.249 379 1HG GLN 49 1HG GLN 49 10.139 13.630 -2.269 380 2HG GLN 49 2HG GLN 49 10.426 12.853 -0.716 381 1HE2 GLN 49 1HE2 GLN 49 11.459 10.701 -2.985 382 2HE2 GLN 49 2HE2 GLN 49 13.121 11.153 -3.071 383 H ALA 50 H ALA 50 7.654 9.626 -0.644 384 HA ALA 50 HA ALA 50 6.278 8.407 -2.901 385 1HB ALA 50 1HB ALA 50 6.267 6.411 -1.243 386 2HB ALA 50 2HB ALA 50 7.421 7.385 -0.332 387 3HB ALA 50 3HB ALA 50 7.787 6.906 -1.989 388 H ASP 51 H ASP 51 4.149 7.863 -2.950 389 HA ASP 51 HA ASP 51 2.455 9.074 -0.913 390 1HB ASP 51 1HB ASP 51 1.773 7.811 -3.576 391 2HB ASP 51 2HB ASP 51 0.605 8.569 -2.497 392 H PHE 52 H PHE 52 1.113 7.971 0.443 393 HA PHE 52 HA PHE 52 1.357 5.037 0.389 394 1HB PHE 52 1HB PHE 52 0.977 6.887 2.752 395 2HB PHE 52 2HB PHE 52 0.961 5.121 2.842 396 HD1 PHE 52 HD1 PHE 52 3.148 7.774 1.369 397 HD2 PHE 52 HD2 PHE 52 2.886 4.172 3.619 398 HE1 PHE 52 HE1 PHE 52 5.593 7.771 1.640 399 HE2 PHE 52 HE2 PHE 52 5.331 4.163 3.896 400 HZ PHE 52 HZ PHE 52 6.687 5.964 2.905 401 H TYR 53 H TYR 53 -0.445 4.430 -0.702 402 HA TYR 53 HA TYR 53 -3.039 5.462 0.207 403 1HB TYR 53 1HB TYR 53 -2.137 4.122 -2.328 404 2HB TYR 53 2HB TYR 53 -3.842 4.163 -1.890 405 HD1 TYR 53 HD1 TYR 53 -4.841 6.501 -1.381 406 HD2 TYR 53 HD2 TYR 53 -1.204 5.899 -3.503 407 HE1 TYR 53 HE1 TYR 53 -5.050 8.743 -2.363 408 HE2 TYR 53 HE2 TYR 53 -1.400 8.144 -4.488 409 HH TYR 53 HH TYR 53 -4.198 9.918 -4.477 410 H LYS 54 H LYS 54 -4.754 3.488 -0.380 411 HA LYS 54 HA LYS 54 -3.795 1.017 0.807 412 1HB LYS 54 1HB LYS 54 -6.004 2.659 2.050 413 2HB LYS 54 2HB LYS 54 -5.562 1.026 2.532 414 1HG LYS 54 1HG LYS 54 -3.312 1.820 3.103 415 2HG LYS 54 2HG LYS 54 -3.791 3.458 2.677 416 1HD LYS 54 1HD LYS 54 -5.082 1.808 4.849 417 2HD LYS 54 2HD LYS 54 -3.814 2.999 5.118 418 1HE LYS 54 1HE LYS 54 -5.876 4.061 5.606 419 2HE LYS 54 2HE LYS 54 -5.318 4.704 4.065 420 1HZ LYS 54 1HZ LYS 54 -7.774 3.668 4.561 421 2HZ LYS 54 2HZ LYS 54 -6.989 2.400 3.765 422 3HZ LYS 54 3HZ LYS 54 -7.100 3.920 3.030 423 H LEU 55 H LEU 55 -4.822 -0.744 0.059 424 HA LEU 55 HA LEU 55 -6.934 -0.299 -1.912 425 1HB LEU 55 1HB LEU 55 -4.757 -1.568 -2.394 426 2HB LEU 55 2HB LEU 55 -5.438 -2.858 -1.425 427 HG LEU 55 HG LEU 55 -5.716 -3.167 -3.882 428 1HD1 LEU 55 1HD1 LEU 55 -8.496 -2.972 -3.039 429 2HD1 LEU 55 2HD1 LEU 55 -7.457 -3.750 -1.845 430 3HD1 LEU 55 3HD1 LEU 55 -7.540 -4.384 -3.487 431 1HD2 LEU 55 1HD2 LEU 55 -7.699 -0.912 -3.655 432 2HD2 LEU 55 2HD2 LEU 55 -7.294 -1.840 -5.099 433 3HD2 LEU 55 3HD2 LEU 55 -6.098 -0.762 -4.380 434 H ASP 56 H ASP 56 -8.871 -1.393 -1.927 435 HA ASP 56 HA ASP 56 -9.754 -2.375 0.676 436 1HB ASP 56 1HB ASP 56 -11.052 -0.621 -0.613 437 2HB ASP 56 2HB ASP 56 -11.432 -1.873 -1.793 438 H VAL 57 H VAL 57 -10.022 -4.492 1.092 439 HA VAL 57 HA VAL 57 -9.757 -6.392 -1.112 440 HB VAL 57 HB VAL 57 -9.695 -6.832 1.886 441 1HG1 VAL 57 1HG1 VAL 57 -10.328 -8.930 1.263 442 2HG1 VAL 57 2HG1 VAL 57 -8.611 -9.076 0.889 443 3HG1 VAL 57 3HG1 VAL 57 -9.767 -8.728 -0.396 444 1HG2 VAL 57 1HG2 VAL 57 -7.771 -5.617 0.837 445 2HG2 VAL 57 2HG2 VAL 57 -7.468 -7.055 -0.140 446 3HG2 VAL 57 3HG2 VAL 57 -7.340 -7.138 1.617 447 H ASP 58 H ASP 58 -12.189 -4.860 -0.747 448 HA ASP 58 HA ASP 58 -14.076 -7.094 -0.604 449 1HB ASP 58 1HB ASP 58 -14.235 -5.903 1.549 450 2HB ASP 58 2HB ASP 58 -14.527 -4.395 0.695 451 H GLU 59 H GLU 59 -13.554 -3.696 -1.434 452 HA GLU 59 HA GLU 59 -15.647 -3.700 -3.416 453 1HB GLU 59 1HB GLU 59 -15.122 -1.686 -2.081 454 2HB GLU 59 2HB GLU 59 -13.523 -1.622 -2.816 455 1HG GLU 59 1HG GLU 59 -14.925 -0.034 -3.911 456 2HG GLU 59 2HG GLU 59 -14.627 -1.365 -5.027 457 H LEU 60 H LEU 60 -12.170 -4.047 -3.299 458 HA LEU 60 HA LEU 60 -12.143 -4.416 -6.224 459 1HB LEU 60 1HB LEU 60 -9.917 -3.451 -4.426 460 2HB LEU 60 2HB LEU 60 -9.731 -3.817 -6.130 461 HG LEU 60 HG LEU 60 -11.371 -2.019 -6.652 462 1HD1 LEU 60 1HD1 LEU 60 -12.696 -1.407 -4.963 463 2HD1 LEU 60 2HD1 LEU 60 -11.346 -0.394 -4.457 464 3HD1 LEU 60 3HD1 LEU 60 -11.569 -1.988 -3.740 465 1HD2 LEU 60 1HD2 LEU 60 -9.181 -0.824 -5.008 466 2HD2 LEU 60 2HD2 LEU 60 -9.789 -0.339 -6.592 467 3HD2 LEU 60 3HD2 LEU 60 -8.791 -1.787 -6.434 468 H GLY 61 H GLY 61 -12.830 -6.640 -5.584 469 1HA GLY 61 1HA GLY 61 -10.923 -8.311 -4.227 470 2HA GLY 61 2HA GLY 61 -12.392 -8.843 -5.030 471 H ASP 62 H ASP 62 -10.854 -7.011 -7.268 472 HA ASP 62 HA ASP 62 -9.815 -9.360 -8.608 473 1HB ASP 62 1HB ASP 62 -10.155 -6.554 -9.573 474 2HB ASP 62 2HB ASP 62 -9.636 -7.897 -10.572 475 H VAL 63 H VAL 63 -8.660 -6.275 -7.363 476 HA VAL 63 HA VAL 63 -6.009 -6.566 -8.375 477 HB VAL 63 HB VAL 63 -6.779 -4.869 -6.004 478 1HG1 VAL 63 1HG1 VAL 63 -4.892 -3.963 -8.089 479 2HG1 VAL 63 2HG1 VAL 63 -4.352 -5.282 -7.050 480 3HG1 VAL 63 3HG1 VAL 63 -4.843 -3.746 -6.340 481 1HG2 VAL 63 1HG2 VAL 63 -7.253 -4.350 -8.929 482 2HG2 VAL 63 2HG2 VAL 63 -7.177 -3.060 -7.729 483 3HG2 VAL 63 3HG2 VAL 63 -8.421 -4.305 -7.609 484 H ALA 64 H ALA 64 -7.358 -6.892 -5.070 485 HA ALA 64 HA ALA 64 -5.057 -7.805 -3.781 486 1HB ALA 64 1HB ALA 64 -7.588 -7.321 -2.990 487 2HB ALA 64 2HB ALA 64 -6.408 -8.198 -2.014 488 3HB ALA 64 3HB ALA 64 -7.591 -9.084 -2.974 489 H GLN 65 H GLN 65 -7.167 -9.394 -6.023 490 HA GLN 65 HA GLN 65 -6.109 -12.033 -5.431 491 1HB GLN 65 1HB GLN 65 -8.492 -11.815 -5.939 492 2HB GLN 65 2HB GLN 65 -8.108 -11.118 -7.507 493 1HG GLN 65 1HG GLN 65 -7.049 -13.214 -8.180 494 2HG GLN 65 2HG GLN 65 -7.441 -13.913 -6.610 495 1HE2 GLN 65 1HE2 GLN 65 -8.362 -13.819 -9.726 496 2HE2 GLN 65 2HE2 GLN 65 -10.043 -14.186 -9.560 497 H LYS 66 H LYS 66 -5.935 -9.576 -7.982 498 HA LYS 66 HA LYS 66 -4.549 -11.120 -9.872 499 1HB LYS 66 1HB LYS 66 -4.190 -9.157 -11.063 500 2HB LYS 66 2HB LYS 66 -5.615 -8.761 -10.119 501 1HG LYS 66 1HG LYS 66 -4.265 -7.518 -8.543 502 2HG LYS 66 2HG LYS 66 -2.798 -7.972 -9.409 503 1HD LYS 66 1HD LYS 66 -3.707 -6.827 -11.422 504 2HD LYS 66 2HD LYS 66 -5.068 -6.277 -10.442 505 1HE LYS 66 1HE LYS 66 -3.418 -4.521 -10.594 506 2HE LYS 66 2HE LYS 66 -3.486 -5.128 -8.942 507 1HZ LYS 66 1HZ LYS 66 -1.290 -5.075 -10.745 508 2HZ LYS 66 2HZ LYS 66 -1.571 -6.650 -10.199 509 3HZ LYS 66 3HZ LYS 66 -1.303 -5.406 -9.086 510 H ASN 67 H ASN 67 -3.336 -8.952 -7.330 511 HA ASN 67 HA ASN 67 -0.598 -9.575 -7.844 512 1HB ASN 67 1HB ASN 67 -1.958 -8.191 -5.521 513 2HB ASN 67 2HB ASN 67 -0.216 -8.266 -5.782 514 1HD2 ASN 67 1HD2 ASN 67 -2.790 -6.335 -6.068 515 2HD2 ASN 67 2HD2 ASN 67 -2.273 -5.318 -7.384 516 H GLU 68 H GLU 68 -3.077 -11.281 -6.415 517 HA GLU 68 HA GLU 68 -3.166 -13.191 -5.199 518 1HB GLU 68 1HB GLU 68 -0.155 -13.168 -5.466 519 2HB GLU 68 2HB GLU 68 -1.126 -14.531 -4.926 520 1HG GLU 68 1HG GLU 68 -2.212 -14.629 -7.105 521 2HG GLU 68 2HG GLU 68 -1.256 -13.252 -7.647 522 H VAL 69 H VAL 69 -3.266 -10.763 -3.832 523 HA VAL 69 HA VAL 69 -1.682 -11.261 -1.404 524 HB VAL 69 HB VAL 69 -3.223 -8.783 -2.188 525 1HG1 VAL 69 1HG1 VAL 69 -1.812 -7.795 -0.311 526 2HG1 VAL 69 2HG1 VAL 69 -1.513 -9.461 0.189 527 3HG1 VAL 69 3HG1 VAL 69 -3.160 -8.829 0.159 528 1HG2 VAL 69 1HG2 VAL 69 -1.358 -7.919 -3.113 529 2HG2 VAL 69 2HG2 VAL 69 -0.920 -9.615 -3.324 530 3HG2 VAL 69 3HG2 VAL 69 -0.289 -8.706 -1.950 531 H SER 70 H SER 70 -3.024 -12.976 -0.652 532 HA SER 70 HA SER 70 -5.771 -12.267 0.047 533 1HB SER 70 1HB SER 70 -6.055 -14.634 0.608 534 2HB SER 70 2HB SER 70 -5.396 -14.452 -1.026 535 HG SER 70 HG SER 70 -3.332 -14.908 -0.157 536 H ALA 71 H ALA 71 -2.659 -12.434 1.446 537 HA ALA 71 HA ALA 71 -3.194 -13.128 4.089 538 1HB ALA 71 1HB ALA 71 -1.093 -11.597 2.691 539 2HB ALA 71 2HB ALA 71 -0.956 -12.933 3.834 540 3HB ALA 71 3HB ALA 71 -1.249 -11.297 4.421 541 H MET 72 H MET 72 -2.593 -11.065 5.786 542 HA MET 72 HA MET 72 -4.119 -8.732 5.240 543 1HB MET 72 1HB MET 72 -5.976 -9.078 6.725 544 2HB MET 72 2HB MET 72 -5.944 -10.348 5.514 545 1HG MET 72 1HG MET 72 -4.960 -10.609 8.339 546 2HG MET 72 2HG MET 72 -6.506 -11.184 7.738 547 1HE MET 72 1HE MET 72 -5.241 -14.509 8.260 548 2HE MET 72 2HE MET 72 -5.652 -13.034 9.136 549 3HE MET 72 3HE MET 72 -3.971 -13.559 9.032 550 HA PRO 73 HA PRO 73 -3.625 -7.000 5.353 551 1HB PRO 73 1HB PRO 73 -2.077 -4.892 5.706 552 2HB PRO 73 2HB PRO 73 -3.462 -5.169 6.784 553 1HG PRO 73 1HG PRO 73 -0.561 -5.753 7.239 554 2HG PRO 73 2HG PRO 73 -1.729 -5.003 8.339 555 1HD PRO 73 1HD PRO 73 -1.013 -7.674 8.389 556 2HD PRO 73 2HD PRO 73 -2.527 -7.016 9.047 557 H THR 74 H THR 74 -1.759 -5.533 3.964 558 HA THR 74 HA THR 74 0.629 -7.110 3.537 559 HB THR 74 HB THR 74 -1.445 -6.835 1.354 560 HG1 THR 74 HG1 THR 74 -0.591 -9.342 1.905 561 1HG2 THR 74 1HG2 THR 74 0.563 -6.731 0.193 562 2HG2 THR 74 2HG2 THR 74 0.168 -8.449 0.171 563 3HG2 THR 74 3HG2 THR 74 1.373 -7.840 1.299 564 H LEU 75 H LEU 75 2.042 -6.116 1.849 565 HA LEU 75 HA LEU 75 1.491 -3.249 1.500 566 1HB LEU 75 1HB LEU 75 4.141 -4.484 2.249 567 2HB LEU 75 2HB LEU 75 3.877 -2.790 1.882 568 HG LEU 75 HG LEU 75 2.781 -4.311 4.247 569 1HD1 LEU 75 1HD1 LEU 75 4.872 -3.812 4.935 570 2HD1 LEU 75 2HD1 LEU 75 4.128 -2.249 5.269 571 3HD1 LEU 75 3HD1 LEU 75 5.053 -2.487 3.788 572 1HD2 LEU 75 1HD2 LEU 75 1.071 -2.842 3.985 573 2HD2 LEU 75 2HD2 LEU 75 2.040 -1.707 3.046 574 3HD2 LEU 75 3HD2 LEU 75 2.202 -1.763 4.801 575 H LEU 76 H LEU 76 1.563 -2.642 -0.556 576 HA LEU 76 HA LEU 76 3.208 -4.217 -2.424 577 1HB LEU 76 1HB LEU 76 0.500 -2.958 -2.867 578 2HB LEU 76 2HB LEU 76 1.509 -3.562 -4.179 579 HG LEU 76 HG LEU 76 0.155 -5.130 -1.996 580 1HD1 LEU 76 1HD1 LEU 76 -0.012 -6.133 -4.696 581 2HD1 LEU 76 2HD1 LEU 76 -0.573 -4.465 -4.593 582 3HD1 LEU 76 3HD1 LEU 76 -1.298 -5.704 -3.569 583 1HD2 LEU 76 1HD2 LEU 76 2.031 -6.385 -1.954 584 2HD2 LEU 76 2HD2 LEU 76 2.601 -5.776 -3.508 585 3HD2 LEU 76 3HD2 LEU 76 1.371 -7.040 -3.453 586 H LEU 77 H LEU 77 4.683 -3.136 -3.561 587 HA LEU 77 HA LEU 77 4.601 -0.195 -3.466 588 1HB LEU 77 1HB LEU 77 6.965 -2.044 -3.805 589 2HB LEU 77 2HB LEU 77 7.045 -0.293 -3.821 590 HG LEU 77 HG LEU 77 6.225 -0.269 -1.475 591 1HD1 LEU 77 1HD1 LEU 77 5.092 -2.156 -0.950 592 2HD1 LEU 77 2HD1 LEU 77 6.687 -2.668 -0.401 593 3HD1 LEU 77 3HD1 LEU 77 6.093 -3.178 -1.982 594 1HD2 LEU 77 1HD2 LEU 77 8.326 -0.433 -0.667 595 2HD2 LEU 77 2HD2 LEU 77 8.732 -0.595 -2.376 596 3HD2 LEU 77 3HD2 LEU 77 8.588 -2.032 -1.364 597 H PHE 78 H PHE 78 4.924 1.002 -5.313 598 HA PHE 78 HA PHE 78 5.268 -0.394 -7.871 599 1HB PHE 78 1HB PHE 78 2.995 1.524 -7.295 600 2HB PHE 78 2HB PHE 78 3.302 0.709 -8.820 601 HD1 PHE 78 HD1 PHE 78 3.226 -1.874 -8.793 602 HD2 PHE 78 HD2 PHE 78 1.600 0.578 -5.719 603 HE1 PHE 78 HE1 PHE 78 1.809 -3.745 -8.054 604 HE2 PHE 78 HE2 PHE 78 0.182 -1.289 -4.976 605 HZ PHE 78 HZ PHE 78 0.280 -3.451 -6.143 606 H LYS 79 H LYS 79 6.691 0.742 -9.166 607 HA LYS 79 HA LYS 79 6.958 3.629 -8.569 608 1HB LYS 79 1HB LYS 79 9.091 1.670 -9.395 609 2HB LYS 79 2HB LYS 79 9.310 3.409 -9.476 610 1HG LYS 79 1HG LYS 79 8.771 3.493 -7.029 611 2HG LYS 79 2HG LYS 79 8.855 1.733 -7.024 612 1HD LYS 79 1HD LYS 79 10.976 2.630 -6.307 613 2HD LYS 79 2HD LYS 79 11.173 1.885 -7.894 614 1HE LYS 79 1HE LYS 79 11.049 4.076 -8.952 615 2HE LYS 79 2HE LYS 79 10.805 4.834 -7.380 616 1HZ LYS 79 1HZ LYS 79 13.230 3.373 -8.274 617 2HZ LYS 79 2HZ LYS 79 12.998 3.988 -6.715 618 3HZ LYS 79 3HZ LYS 79 13.091 5.043 -8.033 619 H ASN 80 H ASN 80 6.876 5.086 -10.184 620 HA ASN 80 HA ASN 80 6.190 5.912 -12.200 621 1HB ASN 80 1HB ASN 80 8.240 3.902 -13.146 622 2HB ASN 80 2HB ASN 80 7.638 5.265 -14.084 623 1HD2 ASN 80 1HD2 ASN 80 8.965 6.911 -14.122 624 2HD2 ASN 80 2HD2 ASN 80 10.042 7.392 -12.858 625 H GLY 81 H GLY 81 4.099 4.709 -11.717 626 1HA GLY 81 1HA GLY 81 2.343 3.391 -12.371 627 2HA GLY 81 2HA GLY 81 2.889 3.828 -13.989 628 H LYS 82 H LYS 82 4.712 1.882 -11.709 629 HA LYS 82 HA LYS 82 4.042 -0.559 -13.165 630 1HB LYS 82 1HB LYS 82 6.862 0.479 -12.800 631 2HB LYS 82 2HB LYS 82 6.464 -1.140 -13.353 632 1HG LYS 82 1HG LYS 82 5.391 -0.245 -15.323 633 2HG LYS 82 2HG LYS 82 5.695 1.400 -14.766 634 1HD LYS 82 1HD LYS 82 8.110 0.979 -14.868 635 2HD LYS 82 2HD LYS 82 7.794 -0.660 -15.440 636 1HE LYS 82 1HE LYS 82 7.012 1.892 -16.847 637 2HE LYS 82 2HE LYS 82 8.356 0.839 -17.288 638 1HZ LYS 82 1HZ LYS 82 6.353 -0.901 -17.305 639 2HZ LYS 82 2HZ LYS 82 6.820 -0.019 -18.670 640 3HZ LYS 82 3HZ LYS 82 5.506 0.498 -17.739 641 H GLU 83 H GLU 83 6.055 -2.131 -11.922 642 HA GLU 83 HA GLU 83 5.091 -2.077 -9.144 643 1HB GLU 83 1HB GLU 83 4.481 -4.047 -10.556 644 2HB GLU 83 2HB GLU 83 6.188 -4.386 -10.776 645 1HG GLU 83 1HG GLU 83 6.456 -4.997 -8.517 646 2HG GLU 83 2HG GLU 83 4.883 -4.333 -8.071 647 H VAL 84 H VAL 84 6.853 -3.409 -7.729 648 HA VAL 84 HA VAL 84 9.580 -2.955 -8.424 649 HB VAL 84 HB VAL 84 10.028 -1.465 -6.416 650 1HG1 VAL 84 1HG1 VAL 84 9.808 -0.885 -8.991 651 2HG1 VAL 84 2HG1 VAL 84 10.099 0.353 -7.774 652 3HG1 VAL 84 3HG1 VAL 84 8.470 0.098 -8.396 653 1HG2 VAL 84 1HG2 VAL 84 7.698 0.048 -6.402 654 2HG2 VAL 84 2HG2 VAL 84 8.296 -0.994 -5.112 655 3HG2 VAL 84 3HG2 VAL 84 7.150 -1.622 -6.294 656 H ALA 85 H ALA 85 7.325 -3.430 -5.698 657 HA ALA 85 HA ALA 85 8.655 -5.876 -4.999 658 1HB ALA 85 1HB ALA 85 8.776 -3.714 -2.917 659 2HB ALA 85 2HB ALA 85 10.111 -4.052 -4.019 660 3HB ALA 85 3HB ALA 85 9.554 -5.297 -2.902 661 H LYS 86 H LYS 86 7.637 -7.009 -3.238 662 HA LYS 86 HA LYS 86 5.109 -5.976 -2.263 663 1HB LYS 86 1HB LYS 86 4.116 -8.326 -2.960 664 2HB LYS 86 2HB LYS 86 4.071 -6.949 -4.046 665 1HG LYS 86 1HG LYS 86 4.736 -8.973 -5.211 666 2HG LYS 86 2HG LYS 86 6.035 -7.783 -5.214 667 1HD LYS 86 1HD LYS 86 7.192 -8.969 -3.471 668 2HD LYS 86 2HD LYS 86 5.844 -10.094 -3.286 669 1HE LYS 86 1HE LYS 86 7.568 -9.773 -5.741 670 2HE LYS 86 2HE LYS 86 7.672 -11.087 -4.571 671 1HZ LYS 86 1HZ LYS 86 5.090 -11.192 -5.247 672 2HZ LYS 86 2HZ LYS 86 6.298 -12.103 -6.004 673 3HZ LYS 86 3HZ LYS 86 5.763 -10.659 -6.706 674 H VAL 87 H VAL 87 5.220 -6.283 -0.159 675 HA VAL 87 HA VAL 87 6.061 -8.905 0.849 676 HB VAL 87 HB VAL 87 7.071 -6.286 1.967 677 1HG1 VAL 87 1HG1 VAL 87 7.813 -9.092 2.778 678 2HG1 VAL 87 2HG1 VAL 87 6.647 -8.089 3.641 679 3HG1 VAL 87 3HG1 VAL 87 8.333 -7.583 3.531 680 1HG2 VAL 87 1HG2 VAL 87 8.191 -8.218 0.040 681 2HG2 VAL 87 2HG2 VAL 87 9.289 -7.643 1.295 682 3HG2 VAL 87 3HG2 VAL 87 8.493 -6.490 0.223 683 H VAL 88 H VAL 88 4.242 -9.616 1.782 684 HA VAL 88 HA VAL 88 2.300 -7.911 2.965 685 HB VAL 88 HB VAL 88 1.549 -10.002 2.059 686 1HG1 VAL 88 1HG1 VAL 88 2.971 -11.720 2.107 687 2HG1 VAL 88 2HG1 VAL 88 2.416 -12.016 3.754 688 3HG1 VAL 88 3HG1 VAL 88 3.863 -11.048 3.470 689 1HG2 VAL 88 1HG2 VAL 88 -0.033 -9.978 3.619 690 2HG2 VAL 88 2HG2 VAL 88 1.071 -9.265 4.789 691 3HG2 VAL 88 3HG2 VAL 88 0.975 -11.016 4.624 692 H GLY 89 H GLY 89 2.668 -6.809 4.758 693 1HA GLY 89 1HA GLY 89 2.706 -7.331 7.258 694 2HA GLY 89 2HA GLY 89 4.262 -8.066 6.897 695 H ALA 90 H ALA 90 2.629 -5.202 7.696 696 HA ALA 90 HA ALA 90 4.837 -3.482 6.863 697 1HB ALA 90 1HB ALA 90 2.243 -2.983 6.747 698 2HB ALA 90 2HB ALA 90 3.418 -1.704 7.055 699 3HB ALA 90 3HB ALA 90 2.522 -2.419 8.395 700 H ASN 91 H ASN 91 5.449 -5.393 8.853 701 HA ASN 91 HA ASN 91 5.363 -4.236 11.442 702 1HB ASN 91 1HB ASN 91 7.078 -6.440 10.284 703 2HB ASN 91 2HB ASN 91 6.964 -6.045 11.987 704 1HD2 ASN 91 1HD2 ASN 91 5.709 -7.366 13.070 705 2HD2 ASN 91 2HD2 ASN 91 4.285 -8.139 12.475 706 HA PRO 92 HA PRO 92 8.543 -1.148 11.120 707 1HB PRO 92 1HB PRO 92 9.201 -2.178 13.852 708 2HB PRO 92 2HB PRO 92 9.021 -0.509 13.293 709 1HG PRO 92 1HG PRO 92 7.060 -1.635 14.653 710 2HG PRO 92 2HG PRO 92 6.696 -0.647 13.223 711 1HD PRO 92 1HD PRO 92 6.686 -3.621 13.521 712 2HD PRO 92 2HD PRO 92 5.599 -2.577 12.584 713 H ALA 93 H ALA 93 9.709 -2.450 9.519 714 HA ALA 93 HA ALA 93 12.368 -2.921 10.202 715 1HB ALA 93 1HB ALA 93 11.356 -5.598 9.572 716 2HB ALA 93 2HB ALA 93 10.884 -4.989 11.157 717 3HB ALA 93 3HB ALA 93 12.590 -5.091 10.725 718 H ALA 94 H ALA 94 9.711 -3.859 8.055 719 HA ALA 94 HA ALA 94 11.595 -3.674 5.801 720 1HB ALA 94 1HB ALA 94 8.997 -5.074 5.465 721 2HB ALA 94 2HB ALA 94 10.270 -5.886 6.376 722 3HB ALA 94 3HB ALA 94 10.558 -5.391 4.708 723 H ILE 95 H ILE 95 8.251 -2.964 6.778 724 HA ILE 95 HA ILE 95 7.434 -1.604 4.515 725 HB ILE 95 HB ILE 95 5.874 -2.098 6.273 726 1HG1 ILE 95 1HG1 ILE 95 4.699 0.031 6.486 727 2HG1 ILE 95 2HG1 ILE 95 6.162 0.906 6.051 728 1HG2 ILE 95 1HG2 ILE 95 7.776 -0.548 7.925 729 2HG2 ILE 95 2HG2 ILE 95 6.862 -2.006 8.309 730 3HG2 ILE 95 3HG2 ILE 95 6.065 -0.433 8.336 731 1HD1 ILE 95 1HD1 ILE 95 4.209 -0.480 4.360 732 2HD1 ILE 95 2HD1 ILE 95 5.896 -0.714 3.909 733 3HD1 ILE 95 3HD1 ILE 95 5.229 0.914 4.014 734 H LYS 96 H LYS 96 9.901 -0.732 6.718 735 HA LYS 96 HA LYS 96 9.751 2.106 6.035 736 1HB LYS 96 1HB LYS 96 11.595 2.387 7.639 737 2HB LYS 96 2HB LYS 96 10.226 1.553 8.359 738 1HG LYS 96 1HG LYS 96 11.376 -0.581 8.102 739 2HG LYS 96 2HG LYS 96 12.742 0.244 7.352 740 1HD LYS 96 1HD LYS 96 13.260 -0.202 9.659 741 2HD LYS 96 2HD LYS 96 13.062 1.536 9.436 742 1HE LYS 96 1HE LYS 96 10.849 -0.251 10.420 743 2HE LYS 96 2HE LYS 96 11.998 0.530 11.504 744 1HZ LYS 96 1HZ LYS 96 10.641 2.266 11.475 745 2HZ LYS 96 2HZ LYS 96 9.704 1.622 10.225 746 3HZ LYS 96 3HZ LYS 96 11.082 2.534 9.864 747 H GLN 97 H GLN 97 12.038 -0.595 5.762 748 HA GLN 97 HA GLN 97 13.899 0.863 4.177 749 1HB GLN 97 1HB GLN 97 13.560 -2.121 4.528 750 2HB GLN 97 2HB GLN 97 14.948 -1.341 3.784 751 1HG GLN 97 1HG GLN 97 15.438 -0.215 5.903 752 2HG GLN 97 2HG GLN 97 14.061 -1.025 6.643 753 1HE2 GLN 97 1HE2 GLN 97 15.324 -3.200 4.519 754 2HE2 GLN 97 2HE2 GLN 97 16.394 -4.043 5.577 755 H ALA 98 H ALA 98 11.123 -1.150 3.506 756 HA ALA 98 HA ALA 98 11.563 -1.694 0.797 757 1HB ALA 98 1HB ALA 98 9.081 -1.886 0.646 758 2HB ALA 98 2HB ALA 98 8.981 -1.270 2.296 759 3HB ALA 98 3HB ALA 98 9.792 -2.802 1.974 760 H ILE 99 H ILE 99 10.407 1.167 2.420 761 HA ILE 99 HA ILE 99 9.749 2.509 -0.067 762 HB ILE 99 HB ILE 99 9.538 3.330 2.833 763 1HG1 ILE 99 1HG1 ILE 99 7.123 3.315 2.342 764 2HG1 ILE 99 2HG1 ILE 99 7.466 2.816 0.691 765 1HG2 ILE 99 1HG2 ILE 99 8.839 4.946 0.379 766 2HG2 ILE 99 2HG2 ILE 99 10.101 5.314 1.553 767 3HG2 ILE 99 3HG2 ILE 99 8.406 5.371 2.036 768 1HD1 ILE 99 1HD1 ILE 99 6.823 1.125 2.667 769 2HD1 ILE 99 2HD1 ILE 99 8.580 1.100 2.798 770 3HD1 ILE 99 3HD1 ILE 99 7.805 0.676 1.273 771 H ALA 100 H ALA 100 12.479 2.067 1.877 772 HA ALA 100 HA ALA 100 13.684 4.635 1.236 773 1HB ALA 100 1HB ALA 100 13.927 3.082 3.418 774 2HB ALA 100 2HB ALA 100 15.152 4.242 2.905 775 3HB ALA 100 3HB ALA 100 15.326 2.535 2.496 776 H ALA 101 H ALA 101 14.753 1.249 0.922 777 HA ALA 101 HA ALA 101 16.788 1.672 -0.902 778 1HB ALA 101 1HB ALA 101 16.765 -0.439 0.052 779 2HB ALA 101 2HB ALA 101 16.249 -0.760 -1.604 780 3HB ALA 101 3HB ALA 101 15.057 -0.693 -0.306 781 H ASN 102 H ASN 102 13.333 1.481 -1.433 782 HA ASN 102 HA ASN 102 13.659 1.383 -4.313 783 1HB ASN 102 1HB ASN 102 11.291 1.328 -2.455 784 2HB ASN 102 2HB ASN 102 11.107 1.512 -4.198 785 1HD2 ASN 102 1HD2 ASN 102 11.003 -0.667 -1.809 786 2HD2 ASN 102 2HD2 ASN 102 11.437 -2.099 -2.672 787 H ALA 103 H ALA 103 11.743 3.473 -2.141 788 HA ALA 103 HA ALA 103 11.623 5.588 -4.041 789 1HB ALA 103 1HB ALA 103 10.143 4.959 -1.891 790 2HB ALA 103 2HB ALA 103 10.163 6.564 -2.621 791 3HB ALA 103 3HB ALA 103 11.153 6.230 -1.200 Start of MODEL 15 1 1H MET 1 1H MET 1 -0.412 11.673 6.058 2 2H MET 1 2H MET 1 -0.320 13.210 5.302 3 3H MET 1 3H MET 1 0.652 11.913 4.736 4 HA MET 1 HA MET 1 -2.246 12.289 4.515 5 1HB MET 1 1HB MET 1 -0.841 13.302 2.802 6 2HB MET 1 2HB MET 1 0.012 11.784 2.565 7 1HG MET 1 1HG MET 1 -2.032 10.755 1.730 8 2HG MET 1 2HG MET 1 -2.903 12.264 1.984 9 1HE MET 1 1HE MET 1 -3.384 11.051 -0.309 10 2HE MET 1 2HE MET 1 -2.428 11.283 -1.773 11 3HE MET 1 3HE MET 1 -3.456 12.585 -1.176 12 H VAL 2 H VAL 2 -3.458 10.528 3.640 13 HA VAL 2 HA VAL 2 -2.452 7.937 3.240 14 HB VAL 2 HB VAL 2 -2.095 8.218 5.752 15 1HG1 VAL 2 1HG1 VAL 2 -4.025 7.895 7.196 16 2HG1 VAL 2 2HG1 VAL 2 -5.091 7.904 5.793 17 3HG1 VAL 2 3HG1 VAL 2 -4.204 9.363 6.235 18 1HG2 VAL 2 1HG2 VAL 2 -3.694 5.896 5.855 19 2HG2 VAL 2 2HG2 VAL 2 -1.952 6.015 5.623 20 3HG2 VAL 2 3HG2 VAL 2 -3.028 6.003 4.226 21 H THR 3 H THR 3 -3.949 6.912 2.036 22 HA THR 3 HA THR 3 -6.775 7.243 2.619 23 HB THR 3 HB THR 3 -5.600 8.031 -0.054 24 HG1 THR 3 HG1 THR 3 -5.804 9.997 0.622 25 1HG2 THR 3 1HG2 THR 3 -8.447 7.718 0.825 26 2HG2 THR 3 2HG2 THR 3 -7.650 7.048 -0.600 27 3HG2 THR 3 3HG2 THR 3 -7.978 8.779 -0.504 28 H GLN 4 H GLN 4 -8.138 5.796 1.305 29 HA GLN 4 HA GLN 4 -6.691 3.309 0.661 30 1HB GLN 4 1HB GLN 4 -9.650 3.625 1.206 31 2HB GLN 4 2HB GLN 4 -8.737 2.130 1.112 32 1HG GLN 4 1HG GLN 4 -9.067 2.444 3.384 33 2HG GLN 4 2HG GLN 4 -7.420 2.990 3.105 34 1HE2 GLN 4 1HE2 GLN 4 -9.870 5.133 2.001 35 2HE2 GLN 4 2HE2 GLN 4 -9.773 6.255 3.305 36 H PHE 5 H PHE 5 -8.436 1.974 -0.905 37 HA PHE 5 HA PHE 5 -9.149 3.779 -3.103 38 1HB PHE 5 1HB PHE 5 -7.477 1.278 -3.368 39 2HB PHE 5 2HB PHE 5 -8.239 2.103 -4.734 40 HD1 PHE 5 HD1 PHE 5 -7.761 4.942 -3.809 41 HD2 PHE 5 HD2 PHE 5 -5.220 1.524 -3.940 42 HE1 PHE 5 HE1 PHE 5 -5.804 6.416 -4.055 43 HE2 PHE 5 HE2 PHE 5 -3.264 2.998 -4.191 44 HZ PHE 5 HZ PHE 5 -3.551 5.438 -4.250 45 H LYS 6 H LYS 6 -11.291 3.559 -3.180 46 HA LYS 6 HA LYS 6 -12.534 0.954 -2.787 47 1HB LYS 6 1HB LYS 6 -13.551 3.767 -3.009 48 2HB LYS 6 2HB LYS 6 -14.652 2.423 -3.271 49 1HG LYS 6 1HG LYS 6 -12.989 2.774 -0.790 50 2HG LYS 6 2HG LYS 6 -14.653 3.332 -0.957 51 1HD LYS 6 1HD LYS 6 -13.764 0.469 -1.308 52 2HD LYS 6 2HD LYS 6 -14.464 1.128 0.172 53 1HE LYS 6 1HE LYS 6 -15.794 1.009 -2.534 54 2HE LYS 6 2HE LYS 6 -16.148 -0.032 -1.157 55 1HZ LYS 6 1HZ LYS 6 -16.573 2.903 -1.305 56 2HZ LYS 6 2HZ LYS 6 -16.816 1.967 0.083 57 3HZ LYS 6 3HZ LYS 6 -17.771 1.710 -1.288 58 H THR 7 H THR 7 -11.722 3.159 -5.359 59 HA THR 7 HA THR 7 -12.920 1.273 -7.277 60 HB THR 7 HB THR 7 -13.339 3.192 -8.787 61 HG1 THR 7 HG1 THR 7 -12.459 4.682 -6.547 62 1HG2 THR 7 1HG2 THR 7 -15.323 2.771 -7.776 63 2HG2 THR 7 2HG2 THR 7 -15.032 4.399 -7.165 64 3HG2 THR 7 3HG2 THR 7 -14.676 3.002 -6.152 65 H ALA 8 H ALA 8 -11.549 0.457 -8.724 66 HA ALA 8 HA ALA 8 -8.806 0.824 -8.589 67 1HB ALA 8 1HB ALA 8 -8.848 -0.231 -10.944 68 2HB ALA 8 2HB ALA 8 -10.589 -0.341 -10.692 69 3HB ALA 8 3HB ALA 8 -9.485 -1.161 -9.588 70 H SER 9 H SER 9 -11.177 2.707 -10.246 71 HA SER 9 HA SER 9 -9.551 3.889 -12.213 72 1HB SER 9 1HB SER 9 -11.994 4.089 -12.247 73 2HB SER 9 2HB SER 9 -11.948 5.043 -10.765 74 HG SER 9 HG SER 9 -10.838 6.654 -11.888 75 H GLU 10 H GLU 10 -9.538 4.199 -8.816 76 HA GLU 10 HA GLU 10 -8.323 6.817 -8.830 77 1HB GLU 10 1HB GLU 10 -8.988 4.939 -6.571 78 2HB GLU 10 2HB GLU 10 -8.270 6.531 -6.354 79 1HG GLU 10 1HG GLU 10 -10.238 7.564 -7.348 80 2HG GLU 10 2HG GLU 10 -10.953 5.973 -7.599 81 H PHE 11 H PHE 11 -7.480 3.622 -7.626 82 HA PHE 11 HA PHE 11 -4.796 4.166 -7.030 83 1HB PHE 11 1HB PHE 11 -6.128 2.165 -6.276 84 2HB PHE 11 2HB PHE 11 -5.922 1.495 -7.889 85 HD1 PHE 11 HD1 PHE 11 -5.032 -0.363 -6.239 86 HD2 PHE 11 HD2 PHE 11 -3.015 3.288 -7.096 87 HE1 PHE 11 HE1 PHE 11 -2.903 -1.374 -5.534 88 HE2 PHE 11 HE2 PHE 11 -0.885 2.278 -6.401 89 HZ PHE 11 HZ PHE 11 -0.829 -0.051 -5.617 90 H ASP 12 H ASP 12 -6.383 3.231 -10.012 91 HA ASP 12 HA ASP 12 -4.267 2.363 -11.550 92 1HB ASP 12 1HB ASP 12 -6.597 2.342 -12.320 93 2HB ASP 12 2HB ASP 12 -6.582 4.098 -12.435 94 H SER 13 H SER 13 -5.443 5.727 -11.341 95 HA SER 13 HA SER 13 -3.312 6.820 -12.839 96 1HB SER 13 1HB SER 13 -5.143 8.158 -10.832 97 2HB SER 13 2HB SER 13 -4.102 8.999 -11.979 98 HG SER 13 HG SER 13 -5.288 7.873 -13.651 99 H ALA 14 H ALA 14 -3.620 5.931 -9.505 100 HA ALA 14 HA ALA 14 -1.714 7.564 -8.306 101 1HB ALA 14 1HB ALA 14 -1.688 4.811 -7.324 102 2HB ALA 14 2HB ALA 14 -3.305 5.497 -7.481 103 3HB ALA 14 3HB ALA 14 -2.093 6.312 -6.492 104 H ILE 15 H ILE 15 -1.092 4.148 -9.099 105 HA ILE 15 HA ILE 15 1.669 4.257 -8.959 106 HB ILE 15 HB ILE 15 1.711 2.216 -10.308 107 1HG1 ILE 15 1HG1 ILE 15 -1.232 2.794 -10.720 108 2HG1 ILE 15 2HG1 ILE 15 0.010 2.742 -11.965 109 1HG2 ILE 15 1HG2 ILE 15 0.929 0.962 -8.604 110 2HG2 ILE 15 2HG2 ILE 15 -0.648 1.748 -8.605 111 3HG2 ILE 15 3HG2 ILE 15 0.726 2.530 -7.825 112 1HD1 ILE 15 1HD1 ILE 15 -0.079 0.279 -10.464 113 2HD1 ILE 15 2HD1 ILE 15 -0.207 0.553 -12.201 114 3HD1 ILE 15 3HD1 ILE 15 -1.641 0.670 -11.181 115 H ALA 16 H ALA 16 -0.361 4.648 -11.851 116 HA ALA 16 HA ALA 16 1.503 4.824 -13.808 117 1HB ALA 16 1HB ALA 16 -0.115 5.721 -15.114 118 2HB ALA 16 2HB ALA 16 -0.582 6.920 -13.908 119 3HB ALA 16 3HB ALA 16 -1.125 5.249 -13.749 120 H GLN 17 H GLN 17 3.455 5.723 -13.351 121 HA GLN 17 HA GLN 17 5.041 7.300 -12.899 122 1HB GLN 17 1HB GLN 17 3.079 8.855 -14.586 123 2HB GLN 17 2HB GLN 17 4.717 9.389 -14.231 124 1HG GLN 17 1HG GLN 17 4.143 6.746 -15.522 125 2HG GLN 17 2HG GLN 17 4.327 8.234 -16.456 126 1HE2 GLN 17 1HE2 GLN 17 6.269 8.414 -17.294 127 2HE2 GLN 17 2HE2 GLN 17 7.751 7.901 -16.570 128 H ASP 18 H ASP 18 4.875 7.571 -10.660 129 HA ASP 18 HA ASP 18 4.264 10.168 -9.782 130 1HB ASP 18 1HB ASP 18 1.937 9.374 -10.029 131 2HB ASP 18 2HB ASP 18 2.279 8.062 -8.905 132 H LYS 19 H LYS 19 6.456 8.426 -9.547 133 HA LYS 19 HA LYS 19 8.032 7.869 -7.987 134 1HB LYS 19 1HB LYS 19 6.039 9.193 -6.170 135 2HB LYS 19 2HB LYS 19 7.597 8.627 -5.611 136 1HG LYS 19 1HG LYS 19 8.763 10.176 -6.938 137 2HG LYS 19 2HG LYS 19 7.319 10.584 -7.868 138 1HD LYS 19 1HD LYS 19 7.595 11.120 -4.917 139 2HD LYS 19 2HD LYS 19 8.077 12.278 -6.148 140 1HE LYS 19 1HE LYS 19 5.891 12.885 -5.469 141 2HE LYS 19 2HE LYS 19 5.738 12.140 -7.056 142 1HZ LYS 19 1HZ LYS 19 5.457 10.341 -4.801 143 2HZ LYS 19 2HZ LYS 19 4.561 10.433 -6.233 144 3HZ LYS 19 3HZ LYS 19 4.231 11.496 -4.962 145 H LEU 20 H LEU 20 7.614 6.884 -5.337 146 HA LEU 20 HA LEU 20 6.514 4.276 -6.036 147 1HB LEU 20 1HB LEU 20 8.789 4.320 -5.162 148 2HB LEU 20 2HB LEU 20 8.230 5.152 -3.711 149 HG LEU 20 HG LEU 20 6.853 3.153 -3.157 150 1HD1 LEU 20 1HD1 LEU 20 7.246 2.439 -5.762 151 2HD1 LEU 20 2HD1 LEU 20 6.662 1.372 -4.486 152 3HD1 LEU 20 3HD1 LEU 20 8.373 1.383 -4.909 153 1HD2 LEU 20 1HD2 LEU 20 9.834 2.994 -3.391 154 2HD2 LEU 20 2HD2 LEU 20 8.909 1.667 -2.689 155 3HD2 LEU 20 3HD2 LEU 20 8.840 3.272 -1.961 156 H VAL 21 H VAL 21 4.491 3.914 -5.515 157 HA VAL 21 HA VAL 21 3.312 5.240 -3.185 158 HB VAL 21 HB VAL 21 1.952 3.702 -5.405 159 1HG1 VAL 21 1HG1 VAL 21 0.673 3.635 -3.345 160 2HG1 VAL 21 2HG1 VAL 21 -0.116 4.689 -4.518 161 3HG1 VAL 21 3HG1 VAL 21 0.802 5.386 -3.182 162 1HG2 VAL 21 1HG2 VAL 21 2.469 5.561 -6.572 163 2HG2 VAL 21 2HG2 VAL 21 2.764 6.518 -5.121 164 3HG2 VAL 21 3HG2 VAL 21 1.114 6.255 -5.682 165 H VAL 22 H VAL 22 2.976 4.148 -1.363 166 HA VAL 22 HA VAL 22 3.318 1.237 -1.392 167 HB VAL 22 HB VAL 22 3.286 3.125 0.969 168 1HG1 VAL 22 1HG1 VAL 22 2.854 1.173 2.026 169 2HG1 VAL 22 2HG1 VAL 22 4.590 0.938 1.830 170 3HG1 VAL 22 3HG1 VAL 22 3.466 0.191 0.696 171 1HG2 VAL 22 1HG2 VAL 22 5.209 3.104 -0.882 172 2HG2 VAL 22 2HG2 VAL 22 5.763 1.753 0.106 173 3HG2 VAL 22 3HG2 VAL 22 5.542 3.344 0.834 174 H VAL 23 H VAL 23 1.346 0.450 -1.974 175 HA VAL 23 HA VAL 23 -0.991 1.300 -0.413 176 HB VAL 23 HB VAL 23 -0.949 -0.343 -2.944 177 1HG1 VAL 23 1HG1 VAL 23 -2.935 -0.514 -1.387 178 2HG1 VAL 23 2HG1 VAL 23 -3.286 -0.015 -3.042 179 3HG1 VAL 23 3HG1 VAL 23 -3.246 1.183 -1.749 180 1HG2 VAL 23 1HG2 VAL 23 -1.130 2.615 -2.503 181 2HG2 VAL 23 2HG2 VAL 23 -1.841 1.854 -3.924 182 3HG2 VAL 23 3HG2 VAL 23 -0.109 1.720 -3.627 183 H ASP 24 H ASP 24 -1.964 -0.036 0.970 184 HA ASP 24 HA ASP 24 -0.888 -2.747 1.239 185 1HB ASP 24 1HB ASP 24 -0.802 -1.319 3.240 186 2HB ASP 24 2HB ASP 24 -2.556 -1.105 3.164 187 H PHE 25 H PHE 25 -2.109 -4.519 0.851 188 HA PHE 25 HA PHE 25 -4.852 -4.104 -0.056 189 1HB PHE 25 1HB PHE 25 -2.813 -6.293 -0.429 190 2HB PHE 25 2HB PHE 25 -4.506 -6.513 -0.868 191 HD1 PHE 25 HD1 PHE 25 -2.028 -3.742 -1.359 192 HD2 PHE 25 HD2 PHE 25 -4.804 -6.450 -3.097 193 HE1 PHE 25 HE1 PHE 25 -1.535 -2.804 -3.580 194 HE2 PHE 25 HE2 PHE 25 -4.338 -5.509 -5.316 195 HZ PHE 25 HZ PHE 25 -2.707 -3.680 -5.564 196 H TYR 26 H TYR 26 -4.869 -3.840 2.556 197 HA TYR 26 HA TYR 26 -4.953 -6.119 4.161 198 1HB TYR 26 1HB TYR 26 -6.520 -4.689 5.598 199 2HB TYR 26 2HB TYR 26 -4.912 -4.050 5.280 200 HD1 TYR 26 HD1 TYR 26 -8.204 -3.977 3.477 201 HD2 TYR 26 HD2 TYR 26 -4.898 -1.762 4.980 202 HE1 TYR 26 HE1 TYR 26 -9.189 -1.916 2.587 203 HE2 TYR 26 HE2 TYR 26 -5.887 0.303 4.130 204 HH TYR 26 HH TYR 26 -9.098 0.484 2.988 205 H ALA 27 H ALA 27 -6.545 -7.572 4.715 206 HA ALA 27 HA ALA 27 -8.544 -8.095 2.771 207 1HB ALA 27 1HB ALA 27 -9.367 -9.761 4.531 208 2HB ALA 27 2HB ALA 27 -7.966 -9.259 5.476 209 3HB ALA 27 3HB ALA 27 -7.742 -9.989 3.887 210 H THR 28 H THR 28 -10.674 -7.610 2.724 211 HA THR 28 HA THR 28 -11.644 -5.380 4.019 212 HB THR 28 HB THR 28 -12.725 -6.139 2.040 213 HG1 THR 28 HG1 THR 28 -14.070 -5.163 3.686 214 1HG2 THR 28 1HG2 THR 28 -13.717 -8.575 3.493 215 2HG2 THR 28 2HG2 THR 28 -12.335 -8.583 2.399 216 3HG2 THR 28 3HG2 THR 28 -13.935 -8.161 1.792 217 H TRP 29 H TRP 29 -12.248 -8.782 4.814 218 HA TRP 29 HA TRP 29 -13.856 -8.255 7.084 219 1HB TRP 29 1HB TRP 29 -13.290 -10.693 7.650 220 2HB TRP 29 2HB TRP 29 -14.142 -10.383 6.131 221 HD1 TRP 29 HD1 TRP 29 -12.750 -10.731 3.855 222 HE1 TRP 29 HE1 TRP 29 -10.628 -12.092 3.343 223 HE3 TRP 29 HE3 TRP 29 -11.072 -11.443 8.630 224 HZ2 TRP 29 HZ2 TRP 29 -8.520 -13.296 4.769 225 HZ3 TRP 29 HZ3 TRP 29 -8.988 -12.704 8.970 226 HH2 TRP 29 HH2 TRP 29 -7.740 -13.616 7.078 227 H CYS 30 H CYS 30 -10.394 -8.980 6.723 228 HA CYS 30 HA CYS 30 -9.628 -9.363 9.317 229 1HB CYS 30 1HB CYS 30 -8.059 -9.451 7.435 230 2HB CYS 30 2HB CYS 30 -8.160 -7.698 7.257 231 HG CYS 30 HG CYS 30 -6.007 -8.428 8.622 232 H GLY 31 H GLY 31 -9.394 -8.181 11.141 233 1HA GLY 31 1HA GLY 31 -10.403 -5.426 11.050 234 2HA GLY 31 2HA GLY 31 -10.340 -6.448 12.476 235 HA PRO 32 HA PRO 32 -6.393 -5.108 13.944 236 1HB PRO 32 1HB PRO 32 -4.938 -7.322 12.560 237 2HB PRO 32 2HB PRO 32 -4.821 -6.776 14.237 238 1HG PRO 32 1HG PRO 32 -6.176 -8.979 13.640 239 2HG PRO 32 2HG PRO 32 -6.782 -7.849 14.864 240 1HD PRO 32 1HD PRO 32 -7.713 -8.297 12.069 241 2HD PRO 32 2HD PRO 32 -8.646 -7.856 13.512 242 H CYS 33 H CYS 33 -6.522 -5.970 10.553 243 HA CYS 33 HA CYS 33 -4.181 -4.659 9.693 244 1HB CYS 33 1HB CYS 33 -5.215 -4.717 7.452 245 2HB CYS 33 2HB CYS 33 -5.350 -6.273 8.284 246 HG CYS 33 HG CYS 33 -7.863 -5.859 8.608 247 H LYS 34 H LYS 34 -7.423 -3.517 10.361 248 HA LYS 34 HA LYS 34 -7.300 -1.046 9.041 249 1HB LYS 34 1HB LYS 34 -8.831 -1.779 11.544 250 2HB LYS 34 2HB LYS 34 -9.132 -0.365 10.545 251 1HG LYS 34 1HG LYS 34 -9.728 -1.804 8.669 252 2HG LYS 34 2HG LYS 34 -9.409 -3.231 9.660 253 1HD LYS 34 1HD LYS 34 -11.798 -2.750 9.571 254 2HD LYS 34 2HD LYS 34 -11.177 -2.547 11.210 255 1HE LYS 34 1HE LYS 34 -12.706 -0.739 10.616 256 2HE LYS 34 2HE LYS 34 -11.073 -0.132 10.881 257 1HZ LYS 34 1HZ LYS 34 -12.475 0.586 8.802 258 2HZ LYS 34 2HZ LYS 34 -11.853 -0.845 8.151 259 3HZ LYS 34 3HZ LYS 34 -10.800 0.364 8.690 260 H MET 35 H MET 35 -5.880 -2.112 12.018 261 HA MET 35 HA MET 35 -5.488 0.449 13.188 262 1HB MET 35 1HB MET 35 -3.958 -2.128 13.603 263 2HB MET 35 2HB MET 35 -3.839 -0.703 14.625 264 1HG MET 35 1HG MET 35 -6.197 -0.929 15.218 265 2HG MET 35 2HG MET 35 -6.315 -2.358 14.195 266 1HE MET 35 1HE MET 35 -7.228 -3.908 16.335 267 2HE MET 35 2HE MET 35 -7.282 -2.307 17.071 268 3HE MET 35 3HE MET 35 -6.527 -3.648 17.932 269 H ILE 36 H ILE 36 -4.222 -0.859 10.415 270 HA ILE 36 HA ILE 36 -1.568 0.275 10.623 271 HB ILE 36 HB ILE 36 -3.002 -1.096 8.351 272 1HG1 ILE 36 1HG1 ILE 36 -0.799 -2.015 10.208 273 2HG1 ILE 36 2HG1 ILE 36 -2.468 -2.574 10.221 274 1HG2 ILE 36 1HG2 ILE 36 -1.506 -0.076 7.055 275 2HG2 ILE 36 2HG2 ILE 36 -0.344 -1.207 7.750 276 3HG2 ILE 36 3HG2 ILE 36 -0.510 0.414 8.424 277 1HD1 ILE 36 1HD1 ILE 36 -0.847 -4.126 9.149 278 2HD1 ILE 36 2HD1 ILE 36 -0.611 -2.918 7.885 279 3HD1 ILE 36 3HD1 ILE 36 -2.198 -3.650 8.119 280 H ALA 37 H ALA 37 -4.683 1.200 9.445 281 HA ALA 37 HA ALA 37 -4.114 3.001 7.448 282 1HB ALA 37 1HB ALA 37 -6.367 2.673 7.780 283 2HB ALA 37 2HB ALA 37 -6.147 4.284 8.462 284 3HB ALA 37 3HB ALA 37 -6.251 2.883 9.528 285 HA PRO 38 HA PRO 38 -3.274 6.436 10.710 286 1HB PRO 38 1HB PRO 38 -2.506 5.654 13.199 287 2HB PRO 38 2HB PRO 38 -4.192 5.974 12.764 288 1HG PRO 38 1HG PRO 38 -2.769 3.376 13.076 289 2HG PRO 38 2HG PRO 38 -4.439 3.801 13.483 290 1HD PRO 38 1HD PRO 38 -3.687 2.410 11.240 291 2HD PRO 38 2HD PRO 38 -5.187 3.331 11.375 292 H MET 39 H MET 39 -1.442 3.417 11.095 293 HA MET 39 HA MET 39 1.059 4.626 11.501 294 1HB MET 39 1HB MET 39 0.241 1.927 10.453 295 2HB MET 39 2HB MET 39 1.892 2.374 10.763 296 1HG MET 39 1HG MET 39 1.193 2.848 13.108 297 2HG MET 39 2HG MET 39 -0.345 2.099 12.722 298 1HE MET 39 1HE MET 39 0.994 -1.483 11.595 299 2HE MET 39 2HE MET 39 0.472 -0.042 10.723 300 3HE MET 39 3HE MET 39 -0.500 -0.669 12.054 301 H ILE 40 H ILE 40 -0.517 3.263 8.617 302 HA ILE 40 HA ILE 40 1.396 3.763 6.700 303 HB ILE 40 HB ILE 40 -1.619 3.980 6.484 304 1HG1 ILE 40 1HG1 ILE 40 0.300 1.781 5.698 305 2HG1 ILE 40 2HG1 ILE 40 -0.767 1.771 7.094 306 1HG2 ILE 40 1HG2 ILE 40 -1.392 3.851 4.081 307 2HG2 ILE 40 2HG2 ILE 40 0.365 3.780 4.214 308 3HG2 ILE 40 3HG2 ILE 40 -0.494 5.249 4.670 309 1HD1 ILE 40 1HD1 ILE 40 -1.785 2.002 4.281 310 2HD1 ILE 40 2HD1 ILE 40 -2.697 1.617 5.741 311 3HD1 ILE 40 3HD1 ILE 40 -1.539 0.456 5.091 312 H GLU 41 H GLU 41 -0.587 6.024 8.422 313 HA GLU 41 HA GLU 41 -0.104 8.211 6.598 314 1HB GLU 41 1HB GLU 41 -2.228 8.072 7.759 315 2HB GLU 41 2HB GLU 41 -1.419 8.104 9.319 316 1HG GLU 41 1HG GLU 41 -0.618 10.374 8.836 317 2HG GLU 41 2HG GLU 41 -1.463 10.334 7.288 318 H LYS 42 H LYS 42 1.382 6.899 9.441 319 HA LYS 42 HA LYS 42 2.770 9.334 10.122 320 1HB LYS 42 1HB LYS 42 3.088 6.512 11.139 321 2HB LYS 42 2HB LYS 42 3.954 7.900 11.780 322 1HG LYS 42 1HG LYS 42 1.727 8.929 12.296 323 2HG LYS 42 2HG LYS 42 0.993 7.386 11.862 324 1HD LYS 42 1HD LYS 42 3.098 7.731 13.996 325 2HD LYS 42 2HD LYS 42 1.364 7.697 14.310 326 1HE LYS 42 1HE LYS 42 2.218 5.518 14.750 327 2HE LYS 42 2HE LYS 42 1.297 5.434 13.251 328 1HZ LYS 42 1HZ LYS 42 3.104 4.854 12.102 329 2HZ LYS 42 2HZ LYS 42 3.814 4.512 13.598 330 3HZ LYS 42 3HZ LYS 42 4.089 6.006 12.855 331 H PHE 43 H PHE 43 3.290 6.798 7.902 332 HA PHE 43 HA PHE 43 6.180 7.134 7.881 333 1HB PHE 43 1HB PHE 43 4.353 5.389 6.224 334 2HB PHE 43 2HB PHE 43 6.104 5.436 6.043 335 HD1 PHE 43 HD1 PHE 43 3.668 5.123 8.850 336 HD2 PHE 43 HD2 PHE 43 7.210 3.679 6.995 337 HE1 PHE 43 HE1 PHE 43 3.874 3.408 10.601 338 HE2 PHE 43 HE2 PHE 43 7.422 1.954 8.740 339 HZ PHE 43 HZ PHE 43 5.754 1.819 10.546 340 H SER 44 H SER 44 3.430 8.415 6.297 341 HA SER 44 HA SER 44 4.646 9.105 3.825 342 1HB SER 44 1HB SER 44 2.214 8.998 4.058 343 2HB SER 44 2HB SER 44 2.255 10.330 5.225 344 HG SER 44 HG SER 44 3.089 11.653 3.550 345 H GLU 45 H GLU 45 5.200 10.265 6.925 346 HA GLU 45 HA GLU 45 5.777 12.994 6.122 347 1HB GLU 45 1HB GLU 45 6.187 11.584 8.766 348 2HB GLU 45 2HB GLU 45 6.433 13.301 8.483 349 1HG GLU 45 1HG GLU 45 4.066 13.549 7.934 350 2HG GLU 45 2HG GLU 45 3.821 11.828 8.224 351 H GLN 46 H GLN 46 7.455 9.991 6.631 352 HA GLN 46 HA GLN 46 10.058 11.284 6.620 353 1HB GLN 46 1HB GLN 46 9.234 8.393 6.856 354 2HB GLN 46 2HB GLN 46 10.910 8.934 6.838 355 1HG GLN 46 1HG GLN 46 10.503 10.279 8.825 356 2HG GLN 46 2HG GLN 46 8.823 9.748 8.843 357 1HE2 GLN 46 1HE2 GLN 46 8.457 8.281 10.324 358 2HE2 GLN 46 2HE2 GLN 46 9.551 7.019 10.819 359 H TYR 47 H TYR 47 7.985 9.492 4.438 360 HA TYR 47 HA TYR 47 10.043 9.840 2.353 361 1HB TYR 47 1HB TYR 47 8.008 7.611 2.518 362 2HB TYR 47 2HB TYR 47 9.208 7.835 1.245 363 HD1 TYR 47 HD1 TYR 47 11.697 7.817 1.992 364 HD2 TYR 47 HD2 TYR 47 8.504 6.308 4.357 365 HE1 TYR 47 HE1 TYR 47 13.301 6.464 3.276 366 HE2 TYR 47 HE2 TYR 47 10.098 4.932 5.646 367 HH TYR 47 HH TYR 47 12.663 5.119 6.180 368 HA PRO 48 HA PRO 48 5.836 12.221 1.752 369 1HB PRO 48 1HB PRO 48 8.051 14.024 0.860 370 2HB PRO 48 2HB PRO 48 6.501 14.437 1.601 371 1HG PRO 48 1HG PRO 48 8.779 14.367 3.027 372 2HG PRO 48 2HG PRO 48 7.217 13.906 3.724 373 1HD PRO 48 1HD PRO 48 9.529 12.218 3.048 374 2HD PRO 48 2HD PRO 48 8.151 11.872 4.114 375 H GLN 49 H GLN 49 8.672 11.450 -0.133 376 HA GLN 49 HA GLN 49 7.660 12.154 -2.678 377 1HB GLN 49 1HB GLN 49 9.756 10.111 -1.916 378 2HB GLN 49 2HB GLN 49 9.413 10.612 -3.568 379 1HG GLN 49 1HG GLN 49 11.379 11.726 -2.694 380 2HG GLN 49 2HG GLN 49 10.096 12.884 -3.032 381 1HE2 GLN 49 1HE2 GLN 49 9.934 14.406 -1.565 382 2HE2 GLN 49 2HE2 GLN 49 10.269 14.243 0.122 383 H ALA 50 H ALA 50 7.465 9.250 -0.725 384 HA ALA 50 HA ALA 50 6.099 7.790 -2.829 385 1HB ALA 50 1HB ALA 50 7.085 7.085 -0.090 386 2HB ALA 50 2HB ALA 50 7.557 6.411 -1.650 387 3HB ALA 50 3HB ALA 50 5.982 6.021 -0.959 388 H ASP 51 H ASP 51 3.961 7.317 -2.888 389 HA ASP 51 HA ASP 51 2.239 8.838 -1.099 390 1HB ASP 51 1HB ASP 51 1.571 7.185 -3.547 391 2HB ASP 51 2HB ASP 51 0.430 8.179 -2.646 392 H PHE 52 H PHE 52 1.346 7.969 0.635 393 HA PHE 52 HA PHE 52 1.399 5.067 0.926 394 1HB PHE 52 1HB PHE 52 0.999 7.271 2.954 395 2HB PHE 52 2HB PHE 52 0.960 5.544 3.335 396 HD1 PHE 52 HD1 PHE 52 3.169 7.933 1.499 397 HD2 PHE 52 HD2 PHE 52 2.881 4.656 4.197 398 HE1 PHE 52 HE1 PHE 52 5.617 7.926 1.746 399 HE2 PHE 52 HE2 PHE 52 5.326 4.645 4.449 400 HZ PHE 52 HZ PHE 52 6.698 6.281 3.224 401 H TYR 53 H TYR 53 -0.361 4.617 -0.420 402 HA TYR 53 HA TYR 53 -3.003 5.474 0.536 403 1HB TYR 53 1HB TYR 53 -2.023 4.306 -2.066 404 2HB TYR 53 2HB TYR 53 -3.734 4.345 -1.665 405 HD1 TYR 53 HD1 TYR 53 -4.718 6.661 -1.071 406 HD2 TYR 53 HD2 TYR 53 -1.037 6.124 -3.126 407 HE1 TYR 53 HE1 TYR 53 -4.885 8.950 -1.948 408 HE2 TYR 53 HE2 TYR 53 -1.186 8.414 -4.009 409 HH TYR 53 HH TYR 53 -2.839 10.117 -4.440 410 H LYS 54 H LYS 54 -4.637 3.505 -0.185 411 HA LYS 54 HA LYS 54 -3.580 0.985 0.842 412 1HB LYS 54 1HB LYS 54 -6.175 2.051 1.922 413 2HB LYS 54 2HB LYS 54 -5.196 0.728 2.526 414 1HG LYS 54 1HG LYS 54 -3.455 2.376 3.166 415 2HG LYS 54 2HG LYS 54 -4.563 3.663 2.689 416 1HD LYS 54 1HD LYS 54 -6.213 2.463 4.313 417 2HD LYS 54 2HD LYS 54 -4.746 1.749 4.980 418 1HE LYS 54 1HE LYS 54 -5.363 3.759 6.201 419 2HE LYS 54 2HE LYS 54 -3.831 3.983 5.358 420 1HZ LYS 54 1HZ LYS 54 -6.388 4.844 4.154 421 2HZ LYS 54 2HZ LYS 54 -4.821 5.355 3.779 422 3HZ LYS 54 3HZ LYS 54 -5.544 5.844 5.228 423 H LEU 55 H LEU 55 -4.755 -0.845 0.180 424 HA LEU 55 HA LEU 55 -6.598 -0.304 -2.040 425 1HB LEU 55 1HB LEU 55 -4.471 -1.535 -2.516 426 2HB LEU 55 2HB LEU 55 -5.049 -2.830 -1.487 427 HG LEU 55 HG LEU 55 -5.357 -3.285 -3.903 428 1HD1 LEU 55 1HD1 LEU 55 -7.235 -4.465 -3.529 429 2HD1 LEU 55 2HD1 LEU 55 -8.133 -3.061 -2.953 430 3HD1 LEU 55 3HD1 LEU 55 -7.017 -3.898 -1.874 431 1HD2 LEU 55 1HD2 LEU 55 -5.820 -0.880 -4.479 432 2HD2 LEU 55 2HD2 LEU 55 -7.445 -1.122 -3.838 433 3HD2 LEU 55 3HD2 LEU 55 -6.897 -2.062 -5.224 434 H ASP 56 H ASP 56 -8.638 -0.929 -1.959 435 HA ASP 56 HA ASP 56 -9.657 -2.118 0.447 436 1HB ASP 56 1HB ASP 56 -10.966 -1.069 -2.064 437 2HB ASP 56 2HB ASP 56 -11.848 -1.664 -0.669 438 H VAL 57 H VAL 57 -9.814 -4.240 0.710 439 HA VAL 57 HA VAL 57 -9.809 -6.020 -1.584 440 HB VAL 57 HB VAL 57 -9.697 -6.567 1.392 441 1HG1 VAL 57 1HG1 VAL 57 -10.702 -8.514 0.587 442 2HG1 VAL 57 2HG1 VAL 57 -8.983 -8.906 0.528 443 3HG1 VAL 57 3HG1 VAL 57 -9.835 -8.449 -0.948 444 1HG2 VAL 57 1HG2 VAL 57 -7.615 -6.846 -0.786 445 2HG2 VAL 57 2HG2 VAL 57 -7.389 -7.204 0.926 446 3HG2 VAL 57 3HG2 VAL 57 -7.692 -5.547 0.407 447 H ASP 58 H ASP 58 -12.169 -4.298 -0.240 448 HA ASP 58 HA ASP 58 -14.163 -6.447 -0.190 449 1HB ASP 58 1HB ASP 58 -15.681 -4.768 0.768 450 2HB ASP 58 2HB ASP 58 -14.200 -4.889 1.705 451 H GLU 59 H GLU 59 -13.376 -3.405 -1.797 452 HA GLU 59 HA GLU 59 -15.558 -3.838 -3.700 453 1HB GLU 59 1HB GLU 59 -15.310 -1.602 -2.616 454 2HB GLU 59 2HB GLU 59 -13.745 -1.438 -3.399 455 1HG GLU 59 1HG GLU 59 -15.466 -0.215 -4.595 456 2HG GLU 59 2HG GLU 59 -14.802 -1.513 -5.584 457 H LEU 60 H LEU 60 -12.085 -3.828 -3.439 458 HA LEU 60 HA LEU 60 -11.885 -4.369 -6.329 459 1HB LEU 60 1HB LEU 60 -9.764 -3.312 -4.457 460 2HB LEU 60 2HB LEU 60 -9.531 -3.663 -6.157 461 HG LEU 60 HG LEU 60 -11.209 -1.912 -6.709 462 1HD1 LEU 60 1HD1 LEU 60 -11.457 -1.892 -3.794 463 2HD1 LEU 60 2HD1 LEU 60 -12.599 -1.383 -5.037 464 3HD1 LEU 60 3HD1 LEU 60 -11.309 -0.295 -4.525 465 1HD2 LEU 60 1HD2 LEU 60 -9.687 -0.171 -6.579 466 2HD2 LEU 60 2HD2 LEU 60 -8.652 -1.592 -6.445 467 3HD2 LEU 60 3HD2 LEU 60 -9.085 -0.680 -5.000 468 H GLY 61 H GLY 61 -12.646 -6.418 -4.607 469 1HA GLY 61 1HA GLY 61 -10.601 -7.988 -3.548 470 2HA GLY 61 2HA GLY 61 -12.132 -8.608 -4.149 471 H ASP 62 H ASP 62 -11.400 -7.380 -6.848 472 HA ASP 62 HA ASP 62 -10.255 -9.734 -7.951 473 1HB ASP 62 1HB ASP 62 -10.797 -7.080 -9.213 474 2HB ASP 62 2HB ASP 62 -10.381 -8.540 -10.091 475 H VAL 63 H VAL 63 -8.974 -6.694 -6.892 476 HA VAL 63 HA VAL 63 -6.519 -6.906 -8.369 477 HB VAL 63 HB VAL 63 -6.992 -5.173 -5.946 478 1HG1 VAL 63 1HG1 VAL 63 -5.097 -4.082 -6.501 479 2HG1 VAL 63 2HG1 VAL 63 -5.381 -4.253 -8.232 480 3HG1 VAL 63 3HG1 VAL 63 -4.706 -5.599 -7.314 481 1HG2 VAL 63 1HG2 VAL 63 -7.784 -3.431 -7.438 482 2HG2 VAL 63 2HG2 VAL 63 -8.815 -4.856 -7.575 483 3HG2 VAL 63 3HG2 VAL 63 -7.618 -4.510 -8.823 484 H ALA 64 H ALA 64 -7.430 -7.342 -4.946 485 HA ALA 64 HA ALA 64 -4.925 -8.108 -3.947 486 1HB ALA 64 1HB ALA 64 -6.090 -9.005 -2.075 487 2HB ALA 64 2HB ALA 64 -7.572 -9.204 -3.010 488 3HB ALA 64 3HB ALA 64 -6.992 -7.588 -2.610 489 H GLN 65 H GLN 65 -7.279 -9.845 -5.833 490 HA GLN 65 HA GLN 65 -5.957 -12.403 -5.422 491 1HB GLN 65 1HB GLN 65 -8.339 -11.650 -7.127 492 2HB GLN 65 2HB GLN 65 -7.735 -13.286 -6.904 493 1HG GLN 65 1HG GLN 65 -8.821 -11.504 -4.736 494 2HG GLN 65 2HG GLN 65 -9.683 -12.833 -5.510 495 1HE2 GLN 65 1HE2 GLN 65 -9.722 -14.614 -4.364 496 2HE2 GLN 65 2HE2 GLN 65 -8.509 -15.149 -3.257 497 H LYS 66 H LYS 66 -6.012 -9.787 -7.686 498 HA LYS 66 HA LYS 66 -4.993 -11.228 -9.916 499 1HB LYS 66 1HB LYS 66 -5.828 -9.355 -10.808 500 2HB LYS 66 2HB LYS 66 -5.781 -8.522 -9.269 501 1HG LYS 66 1HG LYS 66 -4.466 -7.293 -10.808 502 2HG LYS 66 2HG LYS 66 -3.372 -8.067 -9.664 503 1HD LYS 66 1HD LYS 66 -2.923 -9.840 -11.302 504 2HD LYS 66 2HD LYS 66 -4.020 -9.059 -12.440 505 1HE LYS 66 1HE LYS 66 -1.699 -8.524 -12.955 506 2HE LYS 66 2HE LYS 66 -2.590 -7.081 -12.474 507 1HZ LYS 66 1HZ LYS 66 -1.368 -6.840 -10.614 508 2HZ LYS 66 2HZ LYS 66 -0.222 -7.738 -11.474 509 3HZ LYS 66 3HZ LYS 66 -1.218 -8.505 -10.343 510 H ASN 67 H ASN 67 -3.552 -9.051 -7.501 511 HA ASN 67 HA ASN 67 -0.886 -9.508 -8.427 512 1HB ASN 67 1HB ASN 67 -2.008 -8.166 -5.961 513 2HB ASN 67 2HB ASN 67 -0.296 -8.203 -6.382 514 1HD2 ASN 67 1HD2 ASN 67 -2.951 -6.349 -6.461 515 2HD2 ASN 67 2HD2 ASN 67 -2.576 -5.332 -7.827 516 H GLU 68 H GLU 68 -2.976 -11.459 -6.810 517 HA GLU 68 HA GLU 68 -2.745 -13.402 -5.675 518 1HB GLU 68 1HB GLU 68 0.222 -12.987 -6.082 519 2HB GLU 68 2HB GLU 68 -0.547 -14.479 -5.559 520 1HG GLU 68 1HG GLU 68 -1.717 -14.639 -7.685 521 2HG GLU 68 2HG GLU 68 -0.978 -13.129 -8.213 522 H VAL 69 H VAL 69 -2.974 -10.946 -4.252 523 HA VAL 69 HA VAL 69 -1.414 -11.578 -1.830 524 HB VAL 69 HB VAL 69 -2.592 -8.898 -2.576 525 1HG1 VAL 69 1HG1 VAL 69 -0.716 -9.671 -0.338 526 2HG1 VAL 69 2HG1 VAL 69 -2.436 -9.321 -0.159 527 3HG1 VAL 69 3HG1 VAL 69 -1.330 -8.052 -0.680 528 1HG2 VAL 69 1HG2 VAL 69 0.333 -9.259 -2.396 529 2HG2 VAL 69 2HG2 VAL 69 -0.624 -8.260 -3.489 530 3HG2 VAL 69 3HG2 VAL 69 -0.457 -9.989 -3.793 531 H SER 70 H SER 70 -3.197 -13.169 -1.490 532 HA SER 70 HA SER 70 -5.776 -12.073 -0.768 533 1HB SER 70 1HB SER 70 -6.404 -14.391 -0.274 534 2HB SER 70 2HB SER 70 -5.645 -14.270 -1.871 535 HG SER 70 HG SER 70 -4.001 -15.418 -1.183 536 H ALA 71 H ALA 71 -2.795 -12.607 0.779 537 HA ALA 71 HA ALA 71 -3.510 -13.315 3.371 538 1HB ALA 71 1HB ALA 71 -1.303 -11.457 2.489 539 2HB ALA 71 2HB ALA 71 -1.195 -13.211 2.626 540 3HB ALA 71 3HB ALA 71 -1.426 -12.227 4.071 541 H MET 72 H MET 72 -2.856 -11.399 5.175 542 HA MET 72 HA MET 72 -4.059 -8.891 4.666 543 1HB MET 72 1HB MET 72 -6.095 -9.068 5.894 544 2HB MET 72 2HB MET 72 -6.073 -10.328 4.672 545 1HG MET 72 1HG MET 72 -5.469 -10.691 7.589 546 2HG MET 72 2HG MET 72 -6.968 -11.125 6.782 547 1HE MET 72 1HE MET 72 -6.759 -12.221 4.512 548 2HE MET 72 2HE MET 72 -6.637 -13.945 4.864 549 3HE MET 72 3HE MET 72 -5.364 -13.140 3.949 550 HA PRO 73 HA PRO 73 -3.559 -7.202 5.017 551 1HB PRO 73 1HB PRO 73 -1.893 -5.248 5.669 552 2HB PRO 73 2HB PRO 73 -3.401 -5.491 6.574 553 1HG PRO 73 1HG PRO 73 -0.609 -6.246 7.299 554 2HG PRO 73 2HG PRO 73 -1.901 -5.607 8.325 555 1HD PRO 73 1HD PRO 73 -1.184 -8.293 8.102 556 2HD PRO 73 2HD PRO 73 -2.713 -7.679 8.761 557 H THR 74 H THR 74 -1.633 -5.799 3.772 558 HA THR 74 HA THR 74 0.810 -7.274 3.468 559 HB THR 74 HB THR 74 -1.120 -7.285 1.141 560 HG1 THR 74 HG1 THR 74 -0.526 -9.193 3.095 561 1HG2 THR 74 1HG2 THR 74 1.697 -7.694 1.268 562 2HG2 THR 74 2HG2 THR 74 0.627 -7.755 -0.127 563 3HG2 THR 74 3HG2 THR 74 0.904 -9.206 0.838 564 H LEU 75 H LEU 75 2.340 -6.203 2.129 565 HA LEU 75 HA LEU 75 1.576 -3.437 1.468 566 1HB LEU 75 1HB LEU 75 4.280 -4.516 2.260 567 2HB LEU 75 2HB LEU 75 3.932 -2.848 1.844 568 HG LEU 75 HG LEU 75 2.866 -4.348 4.236 569 1HD1 LEU 75 1HD1 LEU 75 4.962 -3.814 4.912 570 2HD1 LEU 75 2HD1 LEU 75 4.176 -2.274 5.255 571 3HD1 LEU 75 3HD1 LEU 75 5.109 -2.476 3.773 572 1HD2 LEU 75 1HD2 LEU 75 2.261 -1.632 3.122 573 2HD2 LEU 75 2HD2 LEU 75 2.100 -1.973 4.845 574 3HD2 LEU 75 3HD2 LEU 75 1.144 -2.881 3.674 575 H LEU 76 H LEU 76 1.664 -2.867 -0.595 576 HA LEU 76 HA LEU 76 3.360 -4.437 -2.425 577 1HB LEU 76 1HB LEU 76 0.670 -3.167 -2.969 578 2HB LEU 76 2HB LEU 76 1.686 -3.907 -4.202 579 HG LEU 76 HG LEU 76 0.208 -5.248 -1.947 580 1HD1 LEU 76 1HD1 LEU 76 -0.392 -4.775 -4.625 581 2HD1 LEU 76 2HD1 LEU 76 -1.222 -5.870 -3.521 582 3HD1 LEU 76 3HD1 LEU 76 0.076 -6.474 -4.549 583 1HD2 LEU 76 1HD2 LEU 76 1.302 -7.315 -2.438 584 2HD2 LEU 76 2HD2 LEU 76 2.544 -6.119 -2.076 585 3HD2 LEU 76 3HD2 LEU 76 2.223 -6.578 -3.748 586 H LEU 77 H LEU 77 4.850 -3.321 -3.544 587 HA LEU 77 HA LEU 77 4.680 -0.383 -3.453 588 1HB LEU 77 1HB LEU 77 7.108 -2.150 -3.764 589 2HB LEU 77 2HB LEU 77 7.125 -0.397 -3.747 590 HG LEU 77 HG LEU 77 6.258 -0.445 -1.418 591 1HD1 LEU 77 1HD1 LEU 77 6.740 -2.796 -0.328 592 2HD1 LEU 77 2HD1 LEU 77 6.325 -3.368 -1.944 593 3HD1 LEU 77 3HD1 LEU 77 5.167 -2.408 -1.023 594 1HD2 LEU 77 1HD2 LEU 77 8.682 -2.115 -1.279 595 2HD2 LEU 77 2HD2 LEU 77 8.351 -0.531 -0.580 596 3HD2 LEU 77 3HD2 LEU 77 8.794 -0.667 -2.282 597 H PHE 78 H PHE 78 4.916 0.821 -5.281 598 HA PHE 78 HA PHE 78 5.399 -0.536 -7.838 599 1HB PHE 78 1HB PHE 78 3.023 1.274 -7.325 600 2HB PHE 78 2HB PHE 78 3.400 0.442 -8.826 601 HD1 PHE 78 HD1 PHE 78 3.515 -2.166 -8.677 602 HD2 PHE 78 HD2 PHE 78 1.562 0.322 -5.832 603 HE1 PHE 78 HE1 PHE 78 2.167 -4.084 -7.931 604 HE2 PHE 78 HE2 PHE 78 0.210 -1.591 -5.082 605 HZ PHE 78 HZ PHE 78 0.508 -3.794 -6.130 606 H LYS 79 H LYS 79 6.804 0.675 -9.073 607 HA LYS 79 HA LYS 79 6.890 3.573 -8.471 608 1HB LYS 79 1HB LYS 79 9.157 1.744 -9.244 609 2HB LYS 79 2HB LYS 79 9.277 3.494 -9.295 610 1HG LYS 79 1HG LYS 79 8.650 3.503 -6.860 611 2HG LYS 79 2HG LYS 79 8.855 1.752 -6.882 612 1HD LYS 79 1HD LYS 79 10.887 2.779 -6.086 613 2HD LYS 79 2HD LYS 79 11.180 2.077 -7.678 614 1HE LYS 79 1HE LYS 79 10.932 4.277 -8.703 615 2HE LYS 79 2HE LYS 79 10.604 4.985 -7.121 616 1HZ LYS 79 1HZ LYS 79 12.921 3.819 -6.626 617 2HZ LYS 79 2HZ LYS 79 12.807 5.396 -7.229 618 3HZ LYS 79 3HZ LYS 79 13.128 4.111 -8.280 619 H ASN 80 H ASN 80 6.753 5.020 -10.091 620 HA ASN 80 HA ASN 80 6.130 5.818 -12.133 621 1HB ASN 80 1HB ASN 80 8.219 3.820 -13.021 622 2HB ASN 80 2HB ASN 80 7.604 5.150 -13.996 623 1HD2 ASN 80 1HD2 ASN 80 8.910 6.813 -14.062 624 2HD2 ASN 80 2HD2 ASN 80 9.961 7.343 -12.799 625 H GLY 81 H GLY 81 4.090 4.452 -11.541 626 1HA GLY 81 1HA GLY 81 2.355 3.131 -12.225 627 2HA GLY 81 2HA GLY 81 2.892 3.570 -13.846 628 H LYS 82 H LYS 82 4.977 1.784 -11.731 629 HA LYS 82 HA LYS 82 4.322 -0.718 -13.121 630 1HB LYS 82 1HB LYS 82 7.098 0.414 -12.700 631 2HB LYS 82 2HB LYS 82 6.761 -1.209 -13.280 632 1HG LYS 82 1HG LYS 82 5.980 1.339 -14.671 633 2HG LYS 82 2HG LYS 82 7.334 0.296 -15.104 634 1HD LYS 82 1HD LYS 82 5.775 -1.536 -15.553 635 2HD LYS 82 2HD LYS 82 4.421 -0.492 -15.116 636 1HE LYS 82 1HE LYS 82 4.998 1.019 -16.952 637 2HE LYS 82 2HE LYS 82 6.348 -0.028 -17.389 638 1HZ LYS 82 1HZ LYS 82 4.322 -1.763 -17.407 639 2HZ LYS 82 2HZ LYS 82 4.839 -0.913 -18.776 640 3HZ LYS 82 3HZ LYS 82 3.511 -0.357 -17.888 641 H GLU 83 H GLU 83 6.386 -2.205 -11.845 642 HA GLU 83 HA GLU 83 5.367 -2.198 -9.085 643 1HB GLU 83 1HB GLU 83 4.873 -4.195 -10.495 644 2HB GLU 83 2HB GLU 83 6.597 -4.452 -10.700 645 1HG GLU 83 1HG GLU 83 6.874 -5.054 -8.442 646 2HG GLU 83 2HG GLU 83 5.268 -4.464 -8.006 647 H VAL 84 H VAL 84 7.168 -3.444 -7.633 648 HA VAL 84 HA VAL 84 9.880 -2.859 -8.287 649 HB VAL 84 HB VAL 84 10.221 -1.342 -6.275 650 1HG1 VAL 84 1HG1 VAL 84 10.031 -0.785 -8.851 651 2HG1 VAL 84 2HG1 VAL 84 10.214 0.477 -7.638 652 3HG1 VAL 84 3HG1 VAL 84 8.620 0.121 -8.300 653 1HG2 VAL 84 1HG2 VAL 84 7.359 -1.653 -6.188 654 2HG2 VAL 84 2HG2 VAL 84 7.805 0.044 -6.326 655 3HG2 VAL 84 3HG2 VAL 84 8.449 -0.931 -5.006 656 H ALA 85 H ALA 85 7.619 -3.436 -5.575 657 HA ALA 85 HA ALA 85 9.025 -5.829 -4.874 658 1HB ALA 85 1HB ALA 85 9.202 -3.553 -2.907 659 2HB ALA 85 2HB ALA 85 10.530 -4.108 -3.927 660 3HB ALA 85 3HB ALA 85 9.846 -5.184 -2.708 661 H LYS 86 H LYS 86 8.132 -6.851 -2.900 662 HA LYS 86 HA LYS 86 5.544 -5.895 -2.009 663 1HB LYS 86 1HB LYS 86 5.870 -8.494 -3.508 664 2HB LYS 86 2HB LYS 86 4.452 -8.079 -2.553 665 1HG LYS 86 1HG LYS 86 4.072 -6.142 -3.975 666 2HG LYS 86 2HG LYS 86 5.472 -6.588 -4.947 667 1HD LYS 86 1HD LYS 86 2.984 -8.253 -4.556 668 2HD LYS 86 2HD LYS 86 3.391 -7.328 -6.004 669 1HE LYS 86 1HE LYS 86 4.970 -9.637 -4.871 670 2HE LYS 86 2HE LYS 86 3.918 -9.697 -6.284 671 1HZ LYS 86 1HZ LYS 86 5.628 -7.635 -6.807 672 2HZ LYS 86 2HZ LYS 86 5.729 -9.198 -7.447 673 3HZ LYS 86 3HZ LYS 86 6.621 -8.790 -6.069 674 H VAL 87 H VAL 87 5.115 -6.501 0.034 675 HA VAL 87 HA VAL 87 6.342 -8.862 1.121 676 HB VAL 87 HB VAL 87 7.018 -6.172 2.324 677 1HG1 VAL 87 1HG1 VAL 87 6.692 -8.013 3.960 678 2HG1 VAL 87 2HG1 VAL 87 8.337 -7.378 3.929 679 3HG1 VAL 87 3HG1 VAL 87 7.969 -8.914 3.144 680 1HG2 VAL 87 1HG2 VAL 87 8.326 -6.481 0.348 681 2HG2 VAL 87 2HG2 VAL 87 8.701 -8.145 0.790 682 3HG2 VAL 87 3HG2 VAL 87 9.362 -6.812 1.736 683 H VAL 88 H VAL 88 4.550 -9.763 1.921 684 HA VAL 88 HA VAL 88 2.364 -8.303 2.983 685 HB VAL 88 HB VAL 88 1.907 -10.449 2.041 686 1HG1 VAL 88 1HG1 VAL 88 4.152 -11.303 3.776 687 2HG1 VAL 88 2HG1 VAL 88 3.715 -11.821 2.147 688 3HG1 VAL 88 3HG1 VAL 88 2.844 -12.463 3.541 689 1HG2 VAL 88 1HG2 VAL 88 1.477 -11.409 4.745 690 2HG2 VAL 88 2HG2 VAL 88 0.307 -10.918 3.522 691 3HG2 VAL 88 3HG2 VAL 88 1.042 -9.709 4.573 692 H GLY 89 H GLY 89 3.516 -6.945 4.511 693 1HA GLY 89 1HA GLY 89 3.111 -7.541 7.145 694 2HA GLY 89 2HA GLY 89 4.741 -8.115 6.831 695 H ALA 90 H ALA 90 2.818 -5.440 7.606 696 HA ALA 90 HA ALA 90 4.884 -3.505 6.852 697 1HB ALA 90 1HB ALA 90 2.298 -3.233 6.524 698 2HB ALA 90 2HB ALA 90 3.291 -1.854 6.997 699 3HB ALA 90 3HB ALA 90 2.347 -2.718 8.210 700 H ASN 91 H ASN 91 5.547 -5.340 8.882 701 HA ASN 91 HA ASN 91 5.271 -3.955 11.415 702 1HB ASN 91 1HB ASN 91 5.197 -6.411 11.369 703 2HB ASN 91 2HB ASN 91 6.821 -6.456 10.691 704 1HD2 ASN 91 1HD2 ASN 91 5.136 -6.853 13.438 705 2HD2 ASN 91 2HD2 ASN 91 6.355 -6.477 14.602 706 HA PRO 92 HA PRO 92 8.796 -1.297 11.192 707 1HB PRO 92 1HB PRO 92 9.363 -2.472 13.891 708 2HB PRO 92 2HB PRO 92 9.398 -0.781 13.373 709 1HG PRO 92 1HG PRO 92 7.317 -1.685 14.729 710 2HG PRO 92 2HG PRO 92 7.075 -0.610 13.338 711 1HD PRO 92 1HD PRO 92 6.634 -3.551 13.555 712 2HD PRO 92 2HD PRO 92 5.735 -2.339 12.619 713 H ALA 93 H ALA 93 9.837 -2.593 9.547 714 HA ALA 93 HA ALA 93 12.414 -3.444 10.221 715 1HB ALA 93 1HB ALA 93 12.184 -5.885 9.733 716 2HB ALA 93 2HB ALA 93 10.436 -5.685 9.843 717 3HB ALA 93 3HB ALA 93 11.451 -5.369 11.250 718 H ALA 94 H ALA 94 9.714 -3.883 7.963 719 HA ALA 94 HA ALA 94 11.644 -3.554 5.764 720 1HB ALA 94 1HB ALA 94 10.786 -5.275 4.590 721 2HB ALA 94 2HB ALA 94 9.135 -4.947 5.117 722 3HB ALA 94 3HB ALA 94 10.240 -5.824 6.175 723 H ILE 95 H ILE 95 8.305 -2.965 6.822 724 HA ILE 95 HA ILE 95 7.376 -1.508 4.680 725 HB ILE 95 HB ILE 95 5.938 -2.064 6.533 726 1HG1 ILE 95 1HG1 ILE 95 4.749 0.039 6.835 727 2HG1 ILE 95 2HG1 ILE 95 6.170 0.946 6.332 728 1HG2 ILE 95 1HG2 ILE 95 7.927 -1.472 8.176 729 2HG2 ILE 95 2HG2 ILE 95 6.244 -1.474 8.705 730 3HG2 ILE 95 3HG2 ILE 95 7.037 0.047 8.297 731 1HD1 ILE 95 1HD1 ILE 95 4.121 -0.386 4.739 732 2HD1 ILE 95 2HD1 ILE 95 5.770 -0.698 4.198 733 3HD1 ILE 95 3HD1 ILE 95 5.186 0.958 4.332 734 H LYS 96 H LYS 96 9.948 -0.695 6.798 735 HA LYS 96 HA LYS 96 9.793 2.155 6.213 736 1HB LYS 96 1HB LYS 96 11.643 0.499 7.923 737 2HB LYS 96 2HB LYS 96 11.924 2.206 7.612 738 1HG LYS 96 1HG LYS 96 9.491 1.028 8.941 739 2HG LYS 96 2HG LYS 96 10.822 1.856 9.752 740 1HD LYS 96 1HD LYS 96 8.945 3.063 7.722 741 2HD LYS 96 2HD LYS 96 8.926 3.356 9.460 742 1HE LYS 96 1HE LYS 96 11.155 4.341 9.324 743 2HE LYS 96 2HE LYS 96 11.199 4.022 7.590 744 1HZ LYS 96 1HZ LYS 96 9.234 5.477 7.366 745 2HZ LYS 96 2HZ LYS 96 10.597 6.291 7.947 746 3HZ LYS 96 3HZ LYS 96 9.353 5.861 9.010 747 H GLN 97 H GLN 97 12.441 -0.237 6.033 748 HA GLN 97 HA GLN 97 13.975 1.241 4.227 749 1HB GLN 97 1HB GLN 97 13.918 -1.721 4.811 750 2HB GLN 97 2HB GLN 97 15.099 -0.978 3.744 751 1HG GLN 97 1HG GLN 97 16.141 -1.237 5.843 752 2HG GLN 97 2HG GLN 97 15.780 0.477 5.660 753 1HE2 GLN 97 1HE2 GLN 97 15.618 -2.130 7.697 754 2HE2 GLN 97 2HE2 GLN 97 14.462 -1.525 8.830 755 H ALA 98 H ALA 98 11.408 -1.096 3.724 756 HA ALA 98 HA ALA 98 11.762 -1.602 0.999 757 1HB ALA 98 1HB ALA 98 9.499 -2.357 0.970 758 2HB ALA 98 2HB ALA 98 9.099 -1.397 2.395 759 3HB ALA 98 3HB ALA 98 10.178 -2.784 2.541 760 H ILE 99 H ILE 99 10.403 1.136 2.673 761 HA ILE 99 HA ILE 99 9.389 2.328 0.220 762 HB ILE 99 HB ILE 99 9.404 3.391 3.052 763 1HG1 ILE 99 1HG1 ILE 99 7.208 2.117 1.403 764 2HG1 ILE 99 2HG1 ILE 99 8.007 1.399 2.797 765 1HG2 ILE 99 1HG2 ILE 99 7.637 4.945 2.103 766 2HG2 ILE 99 2HG2 ILE 99 8.192 4.446 0.506 767 3HG2 ILE 99 3HG2 ILE 99 9.300 5.261 1.608 768 1HD1 ILE 99 1HD1 ILE 99 5.692 2.971 2.758 769 2HD1 ILE 99 2HD1 ILE 99 6.946 3.958 3.506 770 3HD1 ILE 99 3HD1 ILE 99 6.567 2.367 4.165 771 H ALA 100 H ALA 100 12.282 2.288 2.008 772 HA ALA 100 HA ALA 100 13.143 4.930 1.146 773 1HB ALA 100 1HB ALA 100 14.528 2.810 2.781 774 2HB ALA 100 2HB ALA 100 13.760 4.280 3.378 775 3HB ALA 100 3HB ALA 100 15.217 4.385 2.391 776 H ALA 101 H ALA 101 14.701 1.729 1.009 777 HA ALA 101 HA ALA 101 16.517 2.273 -0.988 778 1HB ALA 101 1HB ALA 101 15.277 -0.185 0.083 779 2HB ALA 101 2HB ALA 101 16.978 0.252 -0.083 780 3HB ALA 101 3HB ALA 101 16.073 -0.322 -1.484 781 H ASN 102 H ASN 102 13.101 1.613 -1.268 782 HA ASN 102 HA ASN 102 13.200 1.178 -4.111 783 1HB ASN 102 1HB ASN 102 10.936 1.494 -2.137 784 2HB ASN 102 2HB ASN 102 10.705 1.191 -3.860 785 1HD2 ASN 102 1HD2 ASN 102 10.319 -0.845 -4.312 786 2HD2 ASN 102 2HD2 ASN 102 10.937 -2.217 -3.466 787 H ALA 103 H ALA 103 11.875 3.680 -1.949 788 HA ALA 103 HA ALA 103 11.320 5.454 -4.150 789 1HB ALA 103 1HB ALA 103 10.140 5.209 -1.796 790 2HB ALA 103 2HB ALA 103 10.185 6.749 -2.655 791 3HB ALA 103 3HB ALA 103 11.325 6.434 -1.348 Start of MODEL 16 1 1H MET 1 1H MET 1 0.689 11.849 2.781 2 2H MET 1 2H MET 1 0.432 11.840 4.478 3 3H MET 1 3H MET 1 0.232 13.293 3.585 4 HA MET 1 HA MET 1 -1.841 12.202 4.234 5 1HB MET 1 1HB MET 1 -1.672 13.783 2.368 6 2HB MET 1 2HB MET 1 -1.213 12.476 1.285 7 1HG MET 1 1HG MET 1 -3.539 13.086 0.984 8 2HG MET 1 2HG MET 1 -3.392 11.439 1.595 9 1HE MET 1 1HE MET 1 -3.445 14.778 4.355 10 2HE MET 1 2HE MET 1 -4.903 15.200 3.455 11 3HE MET 1 3HE MET 1 -3.374 14.979 2.605 12 H VAL 2 H VAL 2 -3.315 10.502 3.869 13 HA VAL 2 HA VAL 2 -2.282 8.113 2.520 14 HB VAL 2 HB VAL 2 -1.759 7.950 4.960 15 1HG1 VAL 2 1HG1 VAL 2 -3.577 9.131 5.943 16 2HG1 VAL 2 2HG1 VAL 2 -3.678 7.455 6.484 17 3HG1 VAL 2 3HG1 VAL 2 -4.757 8.040 5.218 18 1HG2 VAL 2 1HG2 VAL 2 -2.086 5.714 4.959 19 2HG2 VAL 2 2HG2 VAL 2 -2.543 6.021 3.284 20 3HG2 VAL 2 3HG2 VAL 2 -3.788 5.849 4.518 21 H THR 3 H THR 3 -3.841 6.939 1.465 22 HA THR 3 HA THR 3 -6.648 7.412 2.073 23 HB THR 3 HB THR 3 -5.471 7.978 -0.654 24 HG1 THR 3 HG1 THR 3 -6.788 9.716 1.156 25 1HG2 THR 3 1HG2 THR 3 -7.793 8.836 -1.130 26 2HG2 THR 3 2HG2 THR 3 -8.315 7.928 0.291 27 3HG2 THR 3 3HG2 THR 3 -7.597 7.084 -1.081 28 H GLN 4 H GLN 4 -8.097 5.982 0.841 29 HA GLN 4 HA GLN 4 -6.804 3.383 0.298 30 1HB GLN 4 1HB GLN 4 -9.732 3.864 0.838 31 2HB GLN 4 2HB GLN 4 -8.847 2.349 0.938 32 1HG GLN 4 1HG GLN 4 -7.629 3.191 2.873 33 2HG GLN 4 2HG GLN 4 -8.520 4.705 2.779 34 1HE2 GLN 4 1HE2 GLN 4 -8.341 1.911 4.408 35 2HE2 GLN 4 2HE2 GLN 4 -9.983 1.742 4.918 36 H PHE 5 H PHE 5 -8.443 2.032 -1.203 37 HA PHE 5 HA PHE 5 -9.284 3.752 -3.433 38 1HB PHE 5 1HB PHE 5 -7.704 1.181 -3.651 39 2HB PHE 5 2HB PHE 5 -8.465 2.004 -5.021 40 HD1 PHE 5 HD1 PHE 5 -7.894 4.826 -4.297 41 HD2 PHE 5 HD2 PHE 5 -5.429 1.357 -4.151 42 HE1 PHE 5 HE1 PHE 5 -5.901 6.237 -4.602 43 HE2 PHE 5 HE2 PHE 5 -3.434 2.766 -4.453 44 HZ PHE 5 HZ PHE 5 -3.667 5.204 -4.680 45 H LYS 6 H LYS 6 -11.278 3.365 -4.163 46 HA LYS 6 HA LYS 6 -12.630 0.948 -3.174 47 1HB LYS 6 1HB LYS 6 -13.768 3.649 -3.891 48 2HB LYS 6 2HB LYS 6 -14.735 2.251 -3.442 49 1HG LYS 6 1HG LYS 6 -12.695 3.625 -1.704 50 2HG LYS 6 2HG LYS 6 -14.450 3.758 -1.561 51 1HD LYS 6 1HD LYS 6 -14.584 1.347 -1.107 52 2HD LYS 6 2HD LYS 6 -12.827 1.236 -1.224 53 1HE LYS 6 1HE LYS 6 -14.367 2.877 0.784 54 2HE LYS 6 2HE LYS 6 -13.563 1.341 1.104 55 1HZ LYS 6 1HZ LYS 6 -11.498 2.600 0.205 56 2HZ LYS 6 2HZ LYS 6 -12.002 2.846 1.802 57 3HZ LYS 6 3HZ LYS 6 -12.382 3.985 0.610 58 H THR 7 H THR 7 -11.666 2.584 -6.056 59 HA THR 7 HA THR 7 -12.946 0.473 -7.607 60 HB THR 7 HB THR 7 -13.332 3.379 -8.330 61 HG1 THR 7 HG1 THR 7 -14.903 3.267 -6.951 62 1HG2 THR 7 1HG2 THR 7 -15.100 2.394 -9.836 63 2HG2 THR 7 2HG2 THR 7 -14.326 0.834 -9.560 64 3HG2 THR 7 3HG2 THR 7 -13.423 2.146 -10.320 65 H ALA 8 H ALA 8 -12.221 0.521 -9.910 66 HA ALA 8 HA ALA 8 -9.367 1.005 -9.966 67 1HB ALA 8 1HB ALA 8 -9.335 -0.287 -11.985 68 2HB ALA 8 2HB ALA 8 -11.087 -0.171 -12.148 69 3HB ALA 8 3HB ALA 8 -10.384 -1.113 -10.833 70 H SER 9 H SER 9 -8.882 3.023 -10.212 71 HA SER 9 HA SER 9 -8.670 4.396 -12.505 72 1HB SER 9 1HB SER 9 -11.390 4.898 -11.294 73 2HB SER 9 2HB SER 9 -10.575 6.135 -12.252 74 HG SER 9 HG SER 9 -11.581 5.097 -13.809 75 H GLU 10 H GLU 10 -9.318 4.408 -9.123 76 HA GLU 10 HA GLU 10 -8.208 7.035 -8.692 77 1HB GLU 10 1HB GLU 10 -9.170 4.927 -6.757 78 2HB GLU 10 2HB GLU 10 -8.603 6.525 -6.286 79 1HG GLU 10 1HG GLU 10 -10.421 7.545 -7.558 80 2HG GLU 10 2HG GLU 10 -10.988 5.943 -8.029 81 H PHE 11 H PHE 11 -7.283 3.713 -8.503 82 HA PHE 11 HA PHE 11 -4.778 4.295 -7.187 83 1HB PHE 11 1HB PHE 11 -6.133 2.247 -6.658 84 2HB PHE 11 2HB PHE 11 -5.771 1.656 -8.273 85 HD1 PHE 11 HD1 PHE 11 -5.046 -0.248 -6.548 86 HD2 PHE 11 HD2 PHE 11 -2.944 3.395 -7.215 87 HE1 PHE 11 HE1 PHE 11 -2.983 -1.279 -5.690 88 HE2 PHE 11 HE2 PHE 11 -0.883 2.365 -6.371 89 HZ PHE 11 HZ PHE 11 -0.902 0.030 -5.606 90 H ASP 12 H ASP 12 -5.985 3.232 -10.327 91 HA ASP 12 HA ASP 12 -3.672 2.600 -11.655 92 1HB ASP 12 1HB ASP 12 -5.917 2.397 -12.639 93 2HB ASP 12 2HB ASP 12 -6.019 4.150 -12.771 94 H SER 13 H SER 13 -4.977 5.823 -11.023 95 HA SER 13 HA SER 13 -2.946 7.172 -12.528 96 1HB SER 13 1HB SER 13 -4.894 8.236 -10.469 97 2HB SER 13 2HB SER 13 -3.892 9.226 -11.531 98 HG SER 13 HG SER 13 -5.370 8.990 -12.988 99 H ALA 14 H ALA 14 -3.294 6.064 -9.256 100 HA ALA 14 HA ALA 14 -1.478 7.708 -7.931 101 1HB ALA 14 1HB ALA 14 -1.557 4.836 -7.196 102 2HB ALA 14 2HB ALA 14 -3.066 5.748 -7.120 103 3HB ALA 14 3HB ALA 14 -1.671 6.271 -6.177 104 H ILE 15 H ILE 15 -0.818 4.422 -9.166 105 HA ILE 15 HA ILE 15 1.971 4.601 -8.839 106 HB ILE 15 HB ILE 15 2.113 2.609 -10.265 107 1HG1 ILE 15 1HG1 ILE 15 -0.856 3.069 -10.649 108 2HG1 ILE 15 2HG1 ILE 15 0.383 3.111 -11.899 109 1HG2 ILE 15 1HG2 ILE 15 -0.221 2.213 -8.439 110 2HG2 ILE 15 2HG2 ILE 15 1.356 2.669 -7.794 111 3HG2 ILE 15 3HG2 ILE 15 1.176 1.172 -8.711 112 1HD1 ILE 15 1HD1 ILE 15 -1.038 1.028 -11.771 113 2HD1 ILE 15 2HD1 ILE 15 -0.175 0.649 -10.280 114 3HD1 ILE 15 3HD1 ILE 15 0.709 0.790 -11.800 115 H ALA 16 H ALA 16 -0.038 5.000 -11.743 116 HA ALA 16 HA ALA 16 1.765 5.306 -13.716 117 1HB ALA 16 1HB ALA 16 0.152 7.276 -14.470 118 2HB ALA 16 2HB ALA 16 -0.831 6.614 -13.163 119 3HB ALA 16 3HB ALA 16 -0.342 5.583 -14.508 120 H GLN 17 H GLN 17 3.750 6.144 -13.198 121 HA GLN 17 HA GLN 17 5.354 7.685 -12.665 122 1HB GLN 17 1HB GLN 17 3.477 9.413 -14.282 123 2HB GLN 17 2HB GLN 17 5.170 9.770 -13.959 124 1HG GLN 17 1HG GLN 17 5.819 7.737 -15.165 125 2HG GLN 17 2HG GLN 17 4.119 7.411 -15.509 126 1HE2 GLN 17 1HE2 GLN 17 4.527 10.702 -15.593 127 2HE2 GLN 17 2HE2 GLN 17 4.794 10.901 -17.285 128 H ASP 18 H ASP 18 5.107 7.840 -10.417 129 HA ASP 18 HA ASP 18 4.517 10.434 -9.475 130 1HB ASP 18 1HB ASP 18 2.199 9.432 -9.791 131 2HB ASP 18 2HB ASP 18 2.597 8.332 -8.477 132 H LYS 19 H LYS 19 6.729 8.708 -9.300 133 HA LYS 19 HA LYS 19 8.322 8.142 -7.758 134 1HB LYS 19 1HB LYS 19 6.308 9.291 -5.843 135 2HB LYS 19 2HB LYS 19 7.950 8.852 -5.402 136 1HG LYS 19 1HG LYS 19 8.869 10.537 -6.779 137 2HG LYS 19 2HG LYS 19 7.308 10.861 -7.540 138 1HD LYS 19 1HD LYS 19 6.458 11.615 -5.330 139 2HD LYS 19 2HD LYS 19 8.081 11.390 -4.671 140 1HE LYS 19 1HE LYS 19 7.681 13.727 -5.248 141 2HE LYS 19 2HE LYS 19 8.960 13.032 -6.243 142 1HZ LYS 19 1HZ LYS 19 7.291 14.426 -7.452 143 2HZ LYS 19 2HZ LYS 19 6.140 13.226 -7.141 144 3HZ LYS 19 3HZ LYS 19 7.502 12.868 -8.078 145 H LEU 20 H LEU 20 7.739 7.132 -5.091 146 HA LEU 20 HA LEU 20 6.944 4.446 -5.895 147 1HB LEU 20 1HB LEU 20 9.088 4.681 -4.773 148 2HB LEU 20 2HB LEU 20 8.313 5.487 -3.409 149 HG LEU 20 HG LEU 20 7.007 3.317 -3.075 150 1HD1 LEU 20 1HD1 LEU 20 8.154 1.297 -3.939 151 2HD1 LEU 20 2HD1 LEU 20 9.136 2.340 -4.965 152 3HD1 LEU 20 3HD1 LEU 20 7.388 2.268 -5.196 153 1HD2 LEU 20 1HD2 LEU 20 8.866 2.274 -1.856 154 2HD2 LEU 20 2HD2 LEU 20 8.791 4.016 -1.592 155 3HD2 LEU 20 3HD2 LEU 20 9.996 3.340 -2.689 156 H VAL 21 H VAL 21 4.886 3.972 -5.658 157 HA VAL 21 HA VAL 21 3.345 5.143 -3.460 158 HB VAL 21 HB VAL 21 2.375 3.606 -5.875 159 1HG1 VAL 21 1HG1 VAL 21 0.688 3.316 -4.328 160 2HG1 VAL 21 2HG1 VAL 21 0.188 4.805 -5.129 161 3HG1 VAL 21 3HG1 VAL 21 0.983 4.874 -3.557 162 1HG2 VAL 21 1HG2 VAL 21 3.384 6.168 -5.818 163 2HG2 VAL 21 2HG2 VAL 21 1.644 6.416 -5.681 164 3HG2 VAL 21 3HG2 VAL 21 2.300 5.508 -7.042 165 H VAL 22 H VAL 22 3.240 3.973 -1.665 166 HA VAL 22 HA VAL 22 3.423 1.051 -1.836 167 HB VAL 22 HB VAL 22 3.584 2.812 0.615 168 1HG1 VAL 22 1HG1 VAL 22 3.041 0.145 0.504 169 2HG1 VAL 22 2HG1 VAL 22 3.809 0.963 1.865 170 3HG1 VAL 22 3HG1 VAL 22 4.798 0.146 0.654 171 1HG2 VAL 22 1HG2 VAL 22 5.769 3.127 0.264 172 2HG2 VAL 22 2HG2 VAL 22 5.440 2.663 -1.405 173 3HG2 VAL 22 3HG2 VAL 22 6.018 1.460 -0.251 174 H VAL 23 H VAL 23 1.437 0.249 -2.225 175 HA VAL 23 HA VAL 23 -0.815 1.271 -0.644 176 HB VAL 23 HB VAL 23 -0.905 -0.484 -3.098 177 1HG1 VAL 23 1HG1 VAL 23 -3.115 1.098 -1.796 178 2HG1 VAL 23 2HG1 VAL 23 -2.845 -0.624 -1.531 179 3HG1 VAL 23 3HG1 VAL 23 -3.254 -0.034 -3.141 180 1HG2 VAL 23 1HG2 VAL 23 -0.213 1.432 -4.084 181 2HG2 VAL 23 2HG2 VAL 23 -0.745 2.445 -2.741 182 3HG2 VAL 23 3HG2 VAL 23 -1.915 1.857 -3.920 183 H ASP 24 H ASP 24 -1.968 0.007 0.696 184 HA ASP 24 HA ASP 24 -0.917 -2.685 1.218 185 1HB ASP 24 1HB ASP 24 -0.822 -1.101 3.097 186 2HB ASP 24 2HB ASP 24 -2.570 -0.848 2.975 187 H PHE 25 H PHE 25 -2.160 -4.445 0.903 188 HA PHE 25 HA PHE 25 -4.909 -4.063 -0.003 189 1HB PHE 25 1HB PHE 25 -2.891 -6.291 -0.259 190 2HB PHE 25 2HB PHE 25 -4.588 -6.524 -0.669 191 HD1 PHE 25 HD1 PHE 25 -2.114 -3.788 -1.367 192 HD2 PHE 25 HD2 PHE 25 -4.889 -6.629 -2.881 193 HE1 PHE 25 HE1 PHE 25 -1.650 -3.007 -3.657 194 HE2 PHE 25 HE2 PHE 25 -4.448 -5.849 -5.164 195 HZ PHE 25 HZ PHE 25 -2.833 -4.030 -5.561 196 H TYR 26 H TYR 26 -4.700 -3.656 2.652 197 HA TYR 26 HA TYR 26 -4.720 -5.712 4.436 198 1HB TYR 26 1HB TYR 26 -6.449 -4.289 5.714 199 2HB TYR 26 2HB TYR 26 -4.864 -3.603 5.392 200 HD1 TYR 26 HD1 TYR 26 -8.154 -3.801 3.586 201 HD2 TYR 26 HD2 TYR 26 -4.897 -1.371 4.842 202 HE1 TYR 26 HE1 TYR 26 -9.217 -1.842 2.554 203 HE2 TYR 26 HE2 TYR 26 -5.957 0.584 3.842 204 HH TYR 26 HH TYR 26 -9.200 0.527 2.651 205 H ALA 27 H ALA 27 -5.990 -7.316 5.079 206 HA ALA 27 HA ALA 27 -8.004 -8.304 3.388 207 1HB ALA 27 1HB ALA 27 -6.892 -9.040 6.026 208 2HB ALA 27 2HB ALA 27 -7.149 -10.026 4.586 209 3HB ALA 27 3HB ALA 27 -8.503 -9.652 5.652 210 H THR 28 H THR 28 -10.116 -7.894 3.263 211 HA THR 28 HA THR 28 -11.292 -5.747 4.589 212 HB THR 28 HB THR 28 -12.163 -6.495 2.476 213 HG1 THR 28 HG1 THR 28 -14.114 -7.022 4.464 214 1HG2 THR 28 1HG2 THR 28 -13.083 -9.004 3.860 215 2HG2 THR 28 2HG2 THR 28 -11.750 -8.905 2.711 216 3HG2 THR 28 3HG2 THR 28 -13.395 -8.545 2.186 217 H TRP 29 H TRP 29 -11.088 -9.106 5.478 218 HA TRP 29 HA TRP 29 -13.091 -8.780 7.568 219 1HB TRP 29 1HB TRP 29 -12.535 -11.253 7.988 220 2HB TRP 29 2HB TRP 29 -13.364 -10.833 6.483 221 HD1 TRP 29 HD1 TRP 29 -11.956 -11.058 4.207 222 HE1 TRP 29 HE1 TRP 29 -9.829 -12.391 3.638 223 HE3 TRP 29 HE3 TRP 29 -10.319 -12.020 8.948 224 HZ2 TRP 29 HZ2 TRP 29 -7.727 -13.669 5.021 225 HZ3 TRP 29 HZ3 TRP 29 -8.237 -13.289 9.244 226 HH2 TRP 29 HH2 TRP 29 -6.968 -14.105 7.317 227 H CYS 30 H CYS 30 -9.589 -9.292 7.286 228 HA CYS 30 HA CYS 30 -8.915 -9.962 9.854 229 1HB CYS 30 1HB CYS 30 -7.298 -9.609 7.957 230 2HB CYS 30 2HB CYS 30 -7.424 -7.872 8.249 231 HG CYS 30 HG CYS 30 -6.339 -9.749 10.477 232 H GLY 31 H GLY 31 -8.136 -8.650 11.684 233 1HA GLY 31 1HA GLY 31 -9.893 -6.328 12.065 234 2HA GLY 31 2HA GLY 31 -9.160 -7.279 13.345 235 HA PRO 32 HA PRO 32 -5.681 -4.681 14.031 236 1HB PRO 32 1HB PRO 32 -3.926 -6.565 12.510 237 2HB PRO 32 2HB PRO 32 -3.675 -5.829 14.097 238 1HG PRO 32 1HG PRO 32 -4.458 -8.361 13.897 239 2HG PRO 32 2HG PRO 32 -5.122 -7.303 15.157 240 1HD PRO 32 1HD PRO 32 -6.387 -8.289 12.651 241 2HD PRO 32 2HD PRO 32 -7.127 -7.908 14.218 242 H CYS 33 H CYS 33 -6.087 -5.860 10.752 243 HA CYS 33 HA CYS 33 -4.354 -4.120 9.419 244 1HB CYS 33 1HB CYS 33 -6.930 -5.412 8.518 245 2HB CYS 33 2HB CYS 33 -5.857 -4.505 7.442 246 HG CYS 33 HG CYS 33 -4.045 -6.336 7.811 247 H LYS 34 H LYS 34 -7.320 -3.446 11.015 248 HA LYS 34 HA LYS 34 -8.107 -1.209 9.428 249 1HB LYS 34 1HB LYS 34 -8.880 -1.979 12.248 250 2HB LYS 34 2HB LYS 34 -9.659 -0.721 11.298 251 1HG LYS 34 1HG LYS 34 -9.567 -3.648 10.595 252 2HG LYS 34 2HG LYS 34 -10.946 -2.791 11.287 253 1HD LYS 34 1HD LYS 34 -11.034 -1.347 9.307 254 2HD LYS 34 2HD LYS 34 -9.661 -2.215 8.616 255 1HE LYS 34 1HE LYS 34 -10.974 -4.280 8.609 256 2HE LYS 34 2HE LYS 34 -12.342 -3.415 9.306 257 1HZ LYS 34 1HZ LYS 34 -11.250 -2.288 6.865 258 2HZ LYS 34 2HZ LYS 34 -12.861 -2.477 7.344 259 3HZ LYS 34 3HZ LYS 34 -12.012 -3.789 6.695 260 H MET 35 H MET 35 -6.356 -1.517 12.509 261 HA MET 35 HA MET 35 -6.103 1.295 12.898 262 1HB MET 35 1HB MET 35 -4.502 -0.989 14.063 263 2HB MET 35 2HB MET 35 -4.437 0.677 14.621 264 1HG MET 35 1HG MET 35 -6.807 0.562 15.223 265 2HG MET 35 2HG MET 35 -6.852 -1.116 14.687 266 1HE MET 35 1HE MET 35 -7.157 -0.814 18.622 267 2HE MET 35 2HE MET 35 -7.587 -2.105 17.501 268 3HE MET 35 3HE MET 35 -7.998 -0.432 17.120 269 H ILE 36 H ILE 36 -4.840 -0.516 10.518 270 HA ILE 36 HA ILE 36 -2.131 0.378 10.477 271 HB ILE 36 HB ILE 36 -3.906 -0.963 8.457 272 1HG1 ILE 36 1HG1 ILE 36 -1.492 -1.864 10.032 273 2HG1 ILE 36 2HG1 ILE 36 -3.161 -2.354 10.298 274 1HG2 ILE 36 1HG2 ILE 36 -2.448 0.408 7.168 275 2HG2 ILE 36 2HG2 ILE 36 -1.880 -1.257 7.065 276 3HG2 ILE 36 3HG2 ILE 36 -1.047 -0.103 8.107 277 1HD1 ILE 36 1HD1 ILE 36 -1.420 -3.004 7.945 278 2HD1 ILE 36 2HD1 ILE 36 -3.146 -3.359 8.029 279 3HD1 ILE 36 3HD1 ILE 36 -2.035 -4.111 9.174 280 H ALA 37 H ALA 37 -5.136 1.427 8.927 281 HA ALA 37 HA ALA 37 -4.269 3.157 7.015 282 1HB ALA 37 1HB ALA 37 -6.669 2.608 7.920 283 2HB ALA 37 2HB ALA 37 -6.356 4.109 7.047 284 3HB ALA 37 3HB ALA 37 -6.449 4.115 8.809 285 HA PRO 38 HA PRO 38 -3.602 6.719 10.199 286 1HB PRO 38 1HB PRO 38 -3.255 6.012 12.806 287 2HB PRO 38 2HB PRO 38 -4.830 6.451 12.124 288 1HG PRO 38 1HG PRO 38 -3.695 3.751 12.695 289 2HG PRO 38 2HG PRO 38 -5.350 4.343 12.917 290 1HD PRO 38 1HD PRO 38 -4.575 2.794 10.816 291 2HD PRO 38 2HD PRO 38 -5.910 3.948 10.725 292 H MET 39 H MET 39 -2.152 3.576 10.798 293 HA MET 39 HA MET 39 0.407 4.549 11.589 294 1HB MET 39 1HB MET 39 -0.458 2.237 12.046 295 2HB MET 39 2HB MET 39 -0.279 1.880 10.334 296 1HG MET 39 1HG MET 39 1.591 0.995 11.559 297 2HG MET 39 2HG MET 39 2.127 2.307 10.512 298 1HE MET 39 1HE MET 39 1.212 1.269 14.182 299 2HE MET 39 2HE MET 39 0.185 2.679 13.918 300 3HE MET 39 3HE MET 39 1.522 2.764 15.065 301 H ILE 40 H ILE 40 -0.889 3.251 8.542 302 HA ILE 40 HA ILE 40 1.321 3.511 6.908 303 HB ILE 40 HB ILE 40 -1.612 3.915 6.267 304 1HG1 ILE 40 1HG1 ILE 40 0.273 1.592 5.811 305 2HG1 ILE 40 2HG1 ILE 40 -0.990 1.679 7.034 306 1HG2 ILE 40 1HG2 ILE 40 -0.268 5.083 4.592 307 2HG2 ILE 40 2HG2 ILE 40 -1.022 3.644 3.906 308 3HG2 ILE 40 3HG2 ILE 40 0.690 3.624 4.330 309 1HD1 ILE 40 1HD1 ILE 40 -2.664 1.322 5.526 310 2HD1 ILE 40 2HD1 ILE 40 -1.359 0.426 4.751 311 3HD1 ILE 40 3HD1 ILE 40 -1.766 2.049 4.194 312 H GLU 41 H GLU 41 -0.792 5.953 8.185 313 HA GLU 41 HA GLU 41 0.042 8.058 6.434 314 1HB GLU 41 1HB GLU 41 -2.139 8.114 7.516 315 2HB GLU 41 2HB GLU 41 -1.381 8.109 9.102 316 1HG GLU 41 1HG GLU 41 -0.386 10.293 8.624 317 2HG GLU 41 2HG GLU 41 -1.157 10.294 7.039 318 H LYS 42 H LYS 42 0.989 6.876 9.597 319 HA LYS 42 HA LYS 42 2.595 9.034 10.390 320 1HB LYS 42 1HB LYS 42 2.724 6.102 11.096 321 2HB LYS 42 2HB LYS 42 3.692 7.339 11.889 322 1HG LYS 42 1HG LYS 42 1.661 8.450 12.650 323 2HG LYS 42 2HG LYS 42 0.682 7.228 11.836 324 1HD LYS 42 1HD LYS 42 0.867 6.745 14.219 325 2HD LYS 42 2HD LYS 42 1.666 5.496 13.262 326 1HE LYS 42 1HE LYS 42 3.010 6.109 15.201 327 2HE LYS 42 2HE LYS 42 3.831 6.537 13.700 328 1HZ LYS 42 1HZ LYS 42 3.873 8.660 14.295 329 2HZ LYS 42 2HZ LYS 42 3.336 8.194 15.830 330 3HZ LYS 42 3HZ LYS 42 2.220 8.683 14.657 331 H PHE 43 H PHE 43 3.137 6.595 8.020 332 HA PHE 43 HA PHE 43 6.019 6.949 8.064 333 1HB PHE 43 1HB PHE 43 4.222 5.219 6.368 334 2HB PHE 43 2HB PHE 43 5.969 5.304 6.158 335 HD1 PHE 43 HD1 PHE 43 3.589 4.908 9.008 336 HD2 PHE 43 HD2 PHE 43 7.123 3.551 7.060 337 HE1 PHE 43 HE1 PHE 43 3.875 3.178 10.735 338 HE2 PHE 43 HE2 PHE 43 7.412 1.818 8.781 339 HZ PHE 43 HZ PHE 43 5.787 1.629 10.622 340 H SER 44 H SER 44 3.283 8.131 6.326 341 HA SER 44 HA SER 44 4.518 8.900 3.941 342 1HB SER 44 1HB SER 44 2.185 10.149 5.413 343 2HB SER 44 2HB SER 44 2.608 10.440 3.724 344 HG SER 44 HG SER 44 1.065 8.556 4.629 345 H GLU 45 H GLU 45 4.995 10.072 7.096 346 HA GLU 45 HA GLU 45 5.703 12.762 6.294 347 1HB GLU 45 1HB GLU 45 4.660 12.399 8.471 348 2HB GLU 45 2HB GLU 45 5.978 11.335 8.946 349 1HG GLU 45 1HG GLU 45 6.225 13.518 9.957 350 2HG GLU 45 2HG GLU 45 7.538 13.207 8.824 351 H GLN 46 H GLN 46 7.280 9.713 6.782 352 HA GLN 46 HA GLN 46 9.922 10.919 6.898 353 1HB GLN 46 1HB GLN 46 9.056 8.027 6.925 354 2HB GLN 46 2HB GLN 46 10.717 8.584 7.105 355 1HG GLN 46 1HG GLN 46 10.097 9.789 9.128 356 2HG GLN 46 2HG GLN 46 8.434 9.235 8.949 357 1HE2 GLN 46 1HE2 GLN 46 7.939 7.620 10.230 358 2HE2 GLN 46 2HE2 GLN 46 9.018 6.356 10.758 359 H TYR 47 H TYR 47 7.867 9.263 4.592 360 HA TYR 47 HA TYR 47 10.003 9.591 2.586 361 1HB TYR 47 1HB TYR 47 7.916 7.412 2.728 362 2HB TYR 47 2HB TYR 47 9.080 7.619 1.422 363 HD1 TYR 47 HD1 TYR 47 11.587 7.566 2.092 364 HD2 TYR 47 HD2 TYR 47 8.450 6.097 4.556 365 HE1 TYR 47 HE1 TYR 47 13.213 6.200 3.332 366 HE2 TYR 47 HE2 TYR 47 10.066 4.711 5.799 367 HH TYR 47 HH TYR 47 12.421 4.613 6.271 368 HA PRO 48 HA PRO 48 5.896 12.129 1.910 369 1HB PRO 48 1HB PRO 48 8.200 13.867 1.133 370 2HB PRO 48 2HB PRO 48 6.640 14.323 1.829 371 1HG PRO 48 1HG PRO 48 8.870 14.131 3.328 372 2HG PRO 48 2HG PRO 48 7.266 13.729 3.962 373 1HD PRO 48 1HD PRO 48 9.523 11.952 3.354 374 2HD PRO 48 2HD PRO 48 8.077 11.644 4.337 375 H GLN 49 H GLN 49 8.810 11.501 0.046 376 HA GLN 49 HA GLN 49 7.756 12.236 -2.477 377 1HB GLN 49 1HB GLN 49 9.975 10.270 -1.872 378 2HB GLN 49 2HB GLN 49 9.640 10.994 -3.443 379 1HG GLN 49 1HG GLN 49 10.482 12.474 -0.956 380 2HG GLN 49 2HG GLN 49 11.513 12.082 -2.332 381 1HE2 GLN 49 1HE2 GLN 49 11.842 13.727 -3.628 382 2HE2 GLN 49 2HE2 GLN 49 10.730 15.003 -3.969 383 H ALA 50 H ALA 50 7.601 9.306 -0.595 384 HA ALA 50 HA ALA 50 6.459 7.794 -2.800 385 1HB ALA 50 1HB ALA 50 6.273 6.445 -0.271 386 2HB ALA 50 2HB ALA 50 7.888 7.123 -0.476 387 3HB ALA 50 3HB ALA 50 7.232 6.027 -1.692 388 H ASP 51 H ASP 51 4.335 7.260 -3.009 389 HA ASP 51 HA ASP 51 2.463 8.762 -1.370 390 1HB ASP 51 1HB ASP 51 1.997 7.063 -3.833 391 2HB ASP 51 2HB ASP 51 0.783 8.057 -3.033 392 H PHE 52 H PHE 52 1.473 7.911 0.312 393 HA PHE 52 HA PHE 52 1.505 5.011 0.650 394 1HB PHE 52 1HB PHE 52 0.977 7.253 2.604 395 2HB PHE 52 2HB PHE 52 0.853 5.535 3.013 396 HD1 PHE 52 HD1 PHE 52 3.294 7.824 1.341 397 HD2 PHE 52 HD2 PHE 52 2.655 4.621 4.070 398 HE1 PHE 52 HE1 PHE 52 5.705 7.761 1.827 399 HE2 PHE 52 HE2 PHE 52 5.064 4.553 4.560 400 HZ PHE 52 HZ PHE 52 6.592 6.125 3.440 401 H TYR 53 H TYR 53 -0.181 4.573 -0.838 402 HA TYR 53 HA TYR 53 -2.855 5.487 -0.071 403 1HB TYR 53 1HB TYR 53 -1.740 4.163 -2.534 404 2HB TYR 53 2HB TYR 53 -3.473 4.174 -2.221 405 HD1 TYR 53 HD1 TYR 53 -4.485 6.549 -1.697 406 HD2 TYR 53 HD2 TYR 53 -0.818 5.902 -3.753 407 HE1 TYR 53 HE1 TYR 53 -4.661 8.784 -2.701 408 HE2 TYR 53 HE2 TYR 53 -0.982 8.139 -4.761 409 HH TYR 53 HH TYR 53 -3.201 10.481 -3.684 410 H LYS 54 H LYS 54 -4.519 3.521 -0.627 411 HA LYS 54 HA LYS 54 -3.516 1.051 0.524 412 1HB LYS 54 1HB LYS 54 -5.831 2.536 1.767 413 2HB LYS 54 2HB LYS 54 -5.217 0.963 2.257 414 1HG LYS 54 1HG LYS 54 -2.995 2.147 2.664 415 2HG LYS 54 2HG LYS 54 -3.912 3.647 2.541 416 1HD LYS 54 1HD LYS 54 -4.362 1.412 4.519 417 2HD LYS 54 2HD LYS 54 -3.679 3.000 4.865 418 1HE LYS 54 1HE LYS 54 -6.478 2.450 3.896 419 2HE LYS 54 2HE LYS 54 -6.021 2.851 5.547 420 1HZ LYS 54 1HZ LYS 54 -6.884 4.713 4.054 421 2HZ LYS 54 2HZ LYS 54 -5.366 4.664 3.311 422 3HZ LYS 54 3HZ LYS 54 -5.489 5.017 4.960 423 H LEU 55 H LEU 55 -4.559 -0.740 -0.123 424 HA LEU 55 HA LEU 55 -6.663 -0.363 -2.128 425 1HB LEU 55 1HB LEU 55 -4.465 -1.557 -2.634 426 2HB LEU 55 2HB LEU 55 -5.051 -2.853 -1.613 427 HG LEU 55 HG LEU 55 -5.394 -3.321 -4.000 428 1HD1 LEU 55 1HD1 LEU 55 -7.344 -4.392 -3.646 429 2HD1 LEU 55 2HD1 LEU 55 -8.161 -2.940 -3.063 430 3HD1 LEU 55 3HD1 LEU 55 -7.092 -3.843 -1.988 431 1HD2 LEU 55 1HD2 LEU 55 -6.803 -2.040 -5.377 432 2HD2 LEU 55 2HD2 LEU 55 -5.754 -0.874 -4.571 433 3HD2 LEU 55 3HD2 LEU 55 -7.413 -1.098 -4.016 434 H ASP 56 H ASP 56 -8.652 -1.225 -1.915 435 HA ASP 56 HA ASP 56 -9.340 -2.374 0.664 436 1HB ASP 56 1HB ASP 56 -10.696 -0.544 -0.415 437 2HB ASP 56 2HB ASP 56 -11.183 -1.715 -1.642 438 H VAL 57 H VAL 57 -9.699 -4.482 1.015 439 HA VAL 57 HA VAL 57 -9.345 -6.317 -1.187 440 HB VAL 57 HB VAL 57 -9.496 -6.700 1.798 441 1HG1 VAL 57 1HG1 VAL 57 -10.612 -8.633 0.859 442 2HG1 VAL 57 2HG1 VAL 57 -8.992 -9.099 1.379 443 3HG1 VAL 57 3HG1 VAL 57 -9.328 -8.839 -0.334 444 1HG2 VAL 57 1HG2 VAL 57 -7.332 -7.201 -0.252 445 2HG2 VAL 57 2HG2 VAL 57 -7.191 -7.459 1.488 446 3HG2 VAL 57 3HG2 VAL 57 -7.416 -5.829 0.854 447 H ASP 58 H ASP 58 -12.058 -4.906 0.281 448 HA ASP 58 HA ASP 58 -13.741 -7.191 -0.485 449 1HB ASP 58 1HB ASP 58 -15.553 -6.029 0.788 450 2HB ASP 58 2HB ASP 58 -14.190 -6.541 1.766 451 H GLU 59 H GLU 59 -13.365 -3.706 -0.933 452 HA GLU 59 HA GLU 59 -15.557 -3.520 -2.773 453 1HB GLU 59 1HB GLU 59 -14.734 -1.625 -1.334 454 2HB GLU 59 2HB GLU 59 -13.311 -1.539 -2.365 455 1HG GLU 59 1HG GLU 59 -14.866 0.135 -3.058 456 2HG GLU 59 2HG GLU 59 -14.796 -1.117 -4.297 457 H LEU 60 H LEU 60 -12.114 -4.045 -2.978 458 HA LEU 60 HA LEU 60 -12.380 -4.319 -5.899 459 1HB LEU 60 1HB LEU 60 -9.991 -3.286 -4.367 460 2HB LEU 60 2HB LEU 60 -10.003 -3.633 -6.083 461 HG LEU 60 HG LEU 60 -11.750 -1.888 -6.382 462 1HD1 LEU 60 1HD1 LEU 60 -12.871 -1.291 -4.550 463 2HD1 LEU 60 2HD1 LEU 60 -11.472 -0.293 -4.163 464 3HD1 LEU 60 3HD1 LEU 60 -11.619 -1.909 -3.477 465 1HD2 LEU 60 1HD2 LEU 60 -10.239 -0.080 -6.357 466 2HD2 LEU 60 2HD2 LEU 60 -9.252 -1.521 -6.610 467 3HD2 LEU 60 3HD2 LEU 60 -9.319 -0.767 -5.018 468 H GLY 61 H GLY 61 -12.848 -6.432 -4.171 469 1HA GLY 61 1HA GLY 61 -10.767 -8.051 -3.400 470 2HA GLY 61 2HA GLY 61 -12.295 -8.662 -4.017 471 H ASP 62 H ASP 62 -11.814 -7.340 -6.641 472 HA ASP 62 HA ASP 62 -10.645 -9.502 -7.978 473 1HB ASP 62 1HB ASP 62 -11.117 -6.714 -8.939 474 2HB ASP 62 2HB ASP 62 -10.736 -8.074 -9.977 475 H VAL 63 H VAL 63 -9.260 -6.639 -6.607 476 HA VAL 63 HA VAL 63 -6.801 -6.828 -8.106 477 HB VAL 63 HB VAL 63 -7.247 -5.203 -5.601 478 1HG1 VAL 63 1HG1 VAL 63 -4.976 -5.620 -7.053 479 2HG1 VAL 63 2HG1 VAL 63 -5.293 -4.203 -6.049 480 3HG1 VAL 63 3HG1 VAL 63 -5.609 -4.145 -7.782 481 1HG2 VAL 63 1HG2 VAL 63 -8.082 -3.406 -6.911 482 2HG2 VAL 63 2HG2 VAL 63 -9.030 -4.829 -7.343 483 3HG2 VAL 63 3HG2 VAL 63 -7.750 -4.262 -8.417 484 H ALA 64 H ALA 64 -7.650 -7.254 -4.645 485 HA ALA 64 HA ALA 64 -5.213 -8.218 -3.709 486 1HB ALA 64 1HB ALA 64 -6.905 -7.765 -2.124 487 2HB ALA 64 2HB ALA 64 -6.638 -9.506 -2.047 488 3HB ALA 64 3HB ALA 64 -8.041 -8.868 -2.902 489 H GLN 65 H GLN 65 -7.598 -9.751 -5.726 490 HA GLN 65 HA GLN 65 -6.402 -12.380 -5.417 491 1HB GLN 65 1HB GLN 65 -8.820 -11.338 -6.857 492 2HB GLN 65 2HB GLN 65 -8.183 -12.936 -7.219 493 1HG GLN 65 1HG GLN 65 -9.999 -13.050 -5.614 494 2HG GLN 65 2HG GLN 65 -8.486 -13.603 -4.904 495 1HE2 GLN 65 1HE2 GLN 65 -11.169 -11.812 -4.360 496 2HE2 GLN 65 2HE2 GLN 65 -10.583 -10.773 -3.109 497 H LYS 66 H LYS 66 -6.617 -9.809 -7.860 498 HA LYS 66 HA LYS 66 -5.534 -11.262 -10.001 499 1HB LYS 66 1HB LYS 66 -5.266 -9.238 -11.129 500 2HB LYS 66 2HB LYS 66 -6.578 -8.896 -10.016 501 1HG LYS 66 1HG LYS 66 -5.068 -7.727 -8.537 502 2HG LYS 66 2HG LYS 66 -3.697 -8.146 -9.563 503 1HD LYS 66 1HD LYS 66 -4.789 -6.903 -11.421 504 2HD LYS 66 2HD LYS 66 -6.042 -6.392 -10.289 505 1HE LYS 66 1HE LYS 66 -4.332 -5.307 -8.906 506 2HE LYS 66 2HE LYS 66 -3.093 -5.799 -10.058 507 1HZ LYS 66 1HZ LYS 66 -4.762 -3.534 -10.133 508 2HZ LYS 66 2HZ LYS 66 -5.075 -4.484 -11.498 509 3HZ LYS 66 3HZ LYS 66 -3.501 -3.953 -11.180 510 H ASN 67 H ASN 67 -3.930 -9.255 -7.547 511 HA ASN 67 HA ASN 67 -1.307 -9.906 -8.483 512 1HB ASN 67 1HB ASN 67 -2.313 -8.538 -5.979 513 2HB ASN 67 2HB ASN 67 -0.614 -8.688 -6.426 514 1HD2 ASN 67 1HD2 ASN 67 -3.133 -6.648 -6.429 515 2HD2 ASN 67 2HD2 ASN 67 -2.700 -5.626 -7.773 516 H GLU 68 H GLU 68 -3.596 -11.610 -6.790 517 HA GLU 68 HA GLU 68 -3.569 -13.570 -5.656 518 1HB GLU 68 1HB GLU 68 -0.612 -13.577 -6.287 519 2HB GLU 68 2HB GLU 68 -1.537 -14.947 -5.692 520 1HG GLU 68 1HG GLU 68 -2.880 -14.937 -7.723 521 2HG GLU 68 2HG GLU 68 -1.976 -13.547 -8.319 522 H VAL 69 H VAL 69 -3.450 -11.196 -4.176 523 HA VAL 69 HA VAL 69 -1.682 -11.954 -1.941 524 HB VAL 69 HB VAL 69 -2.893 -9.241 -2.483 525 1HG1 VAL 69 1HG1 VAL 69 -0.678 -9.954 -0.570 526 2HG1 VAL 69 2HG1 VAL 69 -2.377 -9.880 -0.096 527 3HG1 VAL 69 3HG1 VAL 69 -1.569 -8.436 -0.700 528 1HG2 VAL 69 1HG2 VAL 69 -0.242 -8.868 -2.762 529 2HG2 VAL 69 2HG2 VAL 69 -1.326 -9.206 -4.111 530 3HG2 VAL 69 3HG2 VAL 69 -0.387 -10.511 -3.386 531 H SER 70 H SER 70 -2.974 -13.305 -0.775 532 HA SER 70 HA SER 70 -5.584 -12.248 0.094 533 1HB SER 70 1HB SER 70 -6.226 -14.583 0.551 534 2HB SER 70 2HB SER 70 -5.751 -14.365 -1.143 535 HG SER 70 HG SER 70 -3.742 -15.274 -0.638 536 H ALA 71 H ALA 71 -2.944 -11.626 1.240 537 HA ALA 71 HA ALA 71 -2.720 -13.052 3.716 538 1HB ALA 71 1HB ALA 71 -0.752 -12.011 3.914 539 2HB ALA 71 2HB ALA 71 -1.448 -10.423 3.590 540 3HB ALA 71 3HB ALA 71 -1.028 -11.491 2.252 541 H MET 72 H MET 72 -2.196 -10.658 5.372 542 HA MET 72 HA MET 72 -4.535 -9.076 5.524 543 1HB MET 72 1HB MET 72 -5.466 -10.065 7.615 544 2HB MET 72 2HB MET 72 -5.655 -11.084 6.194 545 1HG MET 72 1HG MET 72 -3.928 -12.539 6.895 546 2HG MET 72 2HG MET 72 -3.409 -11.431 8.160 547 1HE MET 72 1HE MET 72 -4.389 -13.945 10.531 548 2HE MET 72 2HE MET 72 -3.234 -13.619 9.240 549 3HE MET 72 3HE MET 72 -4.483 -14.844 9.019 550 HA PRO 73 HA PRO 73 -3.534 -7.529 4.870 551 1HB PRO 73 1HB PRO 73 -2.321 -5.218 4.831 552 2HB PRO 73 2HB PRO 73 -3.545 -5.488 6.087 553 1HG PRO 73 1HG PRO 73 -0.558 -5.711 6.286 554 2HG PRO 73 2HG PRO 73 -1.678 -4.867 7.362 555 1HD PRO 73 1HD PRO 73 -0.731 -7.447 7.766 556 2HD PRO 73 2HD PRO 73 -2.205 -6.769 8.501 557 H THR 74 H THR 74 -1.722 -6.026 3.346 558 HA THR 74 HA THR 74 0.784 -7.468 3.127 559 HB THR 74 HB THR 74 -1.209 -7.433 0.853 560 HG1 THR 74 HG1 THR 74 -0.114 -9.719 2.082 561 1HG2 THR 74 1HG2 THR 74 0.450 -7.816 -0.550 562 2HG2 THR 74 2HG2 THR 74 0.952 -9.213 0.401 563 3HG2 THR 74 3HG2 THR 74 1.608 -7.620 0.762 564 H LEU 75 H LEU 75 2.368 -6.294 1.955 565 HA LEU 75 HA LEU 75 1.545 -3.537 1.330 566 1HB LEU 75 1HB LEU 75 4.264 -4.599 2.071 567 2HB LEU 75 2HB LEU 75 3.883 -2.921 1.740 568 HG LEU 75 HG LEU 75 2.795 -4.550 4.035 569 1HD1 LEU 75 1HD1 LEU 75 5.119 -2.765 3.714 570 2HD1 LEU 75 2HD1 LEU 75 4.873 -4.128 4.803 571 3HD1 LEU 75 3HD1 LEU 75 4.158 -2.561 5.179 572 1HD2 LEU 75 1HD2 LEU 75 2.268 -2.007 4.681 573 2HD2 LEU 75 2HD2 LEU 75 1.123 -3.039 3.824 574 3HD2 LEU 75 3HD2 LEU 75 2.124 -1.894 2.928 575 H LEU 76 H LEU 76 1.560 -2.933 -0.712 576 HA LEU 76 HA LEU 76 3.321 -4.352 -2.599 577 1HB LEU 76 1HB LEU 76 0.559 -3.224 -3.085 578 2HB LEU 76 2HB LEU 76 1.613 -3.855 -4.348 579 HG LEU 76 HG LEU 76 0.271 -5.377 -2.121 580 1HD1 LEU 76 1HD1 LEU 76 -1.169 -6.029 -3.678 581 2HD1 LEU 76 2HD1 LEU 76 0.129 -6.470 -4.787 582 3HD1 LEU 76 3HD1 LEU 76 -0.465 -4.811 -4.742 583 1HD2 LEU 76 1HD2 LEU 76 1.464 -7.368 -3.222 584 2HD2 LEU 76 2HD2 LEU 76 2.383 -6.360 -2.104 585 3HD2 LEU 76 3HD2 LEU 76 2.592 -6.166 -3.844 586 H LEU 77 H LEU 77 4.775 -3.122 -3.602 587 HA LEU 77 HA LEU 77 4.412 -0.202 -3.515 588 1HB LEU 77 1HB LEU 77 6.955 -1.815 -3.725 589 2HB LEU 77 2HB LEU 77 6.864 -0.065 -3.718 590 HG LEU 77 HG LEU 77 5.903 -0.159 -1.428 591 1HD1 LEU 77 1HD1 LEU 77 6.201 -3.078 -1.923 592 2HD1 LEU 77 2HD1 LEU 77 4.918 -2.194 -1.093 593 3HD1 LEU 77 3HD1 LEU 77 6.469 -2.460 -0.293 594 1HD2 LEU 77 1HD2 LEU 77 8.514 -1.636 -1.507 595 2HD2 LEU 77 2HD2 LEU 77 7.964 -0.423 -0.351 596 3HD2 LEU 77 3HD2 LEU 77 8.383 0.054 -1.997 597 H PHE 78 H PHE 78 4.856 1.047 -5.343 598 HA PHE 78 HA PHE 78 5.431 -0.313 -7.870 599 1HB PHE 78 1HB PHE 78 2.976 1.420 -7.496 600 2HB PHE 78 2HB PHE 78 3.435 0.544 -8.946 601 HD1 PHE 78 HD1 PHE 78 3.594 -2.051 -8.712 602 HD2 PHE 78 HD2 PHE 78 1.506 0.479 -6.003 603 HE1 PHE 78 HE1 PHE 78 2.263 -3.975 -7.945 604 HE2 PHE 78 HE2 PHE 78 0.174 -1.440 -5.232 605 HZ PHE 78 HZ PHE 78 0.544 -3.664 -6.203 606 H LYS 79 H LYS 79 6.819 0.951 -9.078 607 HA LYS 79 HA LYS 79 6.779 3.853 -8.487 608 1HB LYS 79 1HB LYS 79 9.119 2.108 -9.242 609 2HB LYS 79 2HB LYS 79 9.173 3.863 -9.296 610 1HG LYS 79 1HG LYS 79 8.558 3.870 -6.869 611 2HG LYS 79 2HG LYS 79 8.778 2.121 -6.876 612 1HD LYS 79 1HD LYS 79 10.797 3.180 -6.078 613 2HD LYS 79 2HD LYS 79 11.105 2.460 -7.659 614 1HE LYS 79 1HE LYS 79 10.844 4.642 -8.715 615 2HE LYS 79 2HE LYS 79 10.495 5.369 -7.147 616 1HZ LYS 79 1HZ LYS 79 12.694 4.913 -6.415 617 2HZ LYS 79 2HZ LYS 79 12.823 5.649 -7.933 618 3HZ LYS 79 3HZ LYS 79 13.037 3.979 -7.783 619 H ASN 80 H ASN 80 6.735 5.320 -10.137 620 HA ASN 80 HA ASN 80 6.114 6.094 -12.187 621 1HB ASN 80 1HB ASN 80 8.153 4.036 -13.042 622 2HB ASN 80 2HB ASN 80 7.546 5.335 -14.062 623 1HD2 ASN 80 1HD2 ASN 80 8.820 7.021 -14.177 624 2HD2 ASN 80 2HD2 ASN 80 9.910 7.569 -12.954 625 H GLY 81 H GLY 81 4.149 4.520 -11.371 626 1HA GLY 81 1HA GLY 81 2.357 3.280 -12.059 627 2HA GLY 81 2HA GLY 81 2.825 3.738 -13.693 628 H LYS 82 H LYS 82 5.143 2.019 -11.841 629 HA LYS 82 HA LYS 82 4.459 -0.483 -13.236 630 1HB LYS 82 1HB LYS 82 7.219 0.633 -12.693 631 2HB LYS 82 2HB LYS 82 6.884 -0.931 -13.417 632 1HG LYS 82 1HG LYS 82 5.811 0.166 -15.313 633 2HG LYS 82 2HG LYS 82 6.156 1.738 -14.595 634 1HD LYS 82 1HD LYS 82 7.805 1.195 -16.301 635 2HD LYS 82 2HD LYS 82 8.558 1.258 -14.706 636 1HE LYS 82 1HE LYS 82 8.471 -1.178 -14.562 637 2HE LYS 82 2HE LYS 82 7.691 -1.250 -16.142 638 1HZ LYS 82 1HZ LYS 82 10.297 0.089 -15.859 639 2HZ LYS 82 2HZ LYS 82 9.618 -0.652 -17.219 640 3HZ LYS 82 3HZ LYS 82 10.228 -1.599 -15.958 641 H GLU 83 H GLU 83 6.616 -1.899 -11.939 642 HA GLU 83 HA GLU 83 5.463 -2.096 -9.241 643 1HB GLU 83 1HB GLU 83 5.190 -4.069 -10.718 644 2HB GLU 83 2HB GLU 83 6.931 -4.166 -10.903 645 1HG GLU 83 1HG GLU 83 7.220 -4.798 -8.637 646 2HG GLU 83 2HG GLU 83 5.537 -4.436 -8.254 647 H VAL 84 H VAL 84 7.238 -3.203 -7.709 648 HA VAL 84 HA VAL 84 9.954 -2.487 -8.162 649 HB VAL 84 HB VAL 84 10.077 -0.915 -6.165 650 1HG1 VAL 84 1HG1 VAL 84 10.144 0.855 -7.573 651 2HG1 VAL 84 2HG1 VAL 84 8.594 0.472 -8.318 652 3HG1 VAL 84 3HG1 VAL 84 10.042 -0.425 -8.776 653 1HG2 VAL 84 1HG2 VAL 84 7.691 0.423 -6.344 654 2HG2 VAL 84 2HG2 VAL 84 8.161 -0.672 -5.044 655 3HG2 VAL 84 3HG2 VAL 84 7.192 -1.267 -6.390 656 H ALA 85 H ALA 85 7.518 -3.071 -5.622 657 HA ALA 85 HA ALA 85 8.936 -5.396 -4.730 658 1HB ALA 85 1HB ALA 85 10.163 -3.372 -3.725 659 2HB ALA 85 2HB ALA 85 9.730 -4.706 -2.657 660 3HB ALA 85 3HB ALA 85 8.759 -3.233 -2.667 661 H LYS 86 H LYS 86 7.933 -6.183 -2.573 662 HA LYS 86 HA LYS 86 5.313 -5.354 -1.892 663 1HB LYS 86 1HB LYS 86 4.112 -7.373 -2.716 664 2HB LYS 86 2HB LYS 86 4.665 -6.310 -4.003 665 1HG LYS 86 1HG LYS 86 6.575 -7.796 -4.396 666 2HG LYS 86 2HG LYS 86 5.991 -8.867 -3.121 667 1HD LYS 86 1HD LYS 86 4.503 -8.165 -5.650 668 2HD LYS 86 2HD LYS 86 5.355 -9.680 -5.343 669 1HE LYS 86 1HE LYS 86 2.994 -8.622 -3.790 670 2HE LYS 86 2HE LYS 86 2.953 -9.926 -4.976 671 1HZ LYS 86 1HZ LYS 86 3.203 -11.196 -3.157 672 2HZ LYS 86 2HZ LYS 86 3.870 -9.952 -2.225 673 3HZ LYS 86 3HZ LYS 86 4.842 -10.805 -3.314 674 H VAL 87 H VAL 87 5.325 -5.768 0.220 675 HA VAL 87 HA VAL 87 6.434 -8.347 1.115 676 HB VAL 87 HB VAL 87 7.923 -6.535 1.773 677 1HG1 VAL 87 1HG1 VAL 87 7.303 -4.749 3.203 678 2HG1 VAL 87 2HG1 VAL 87 5.689 -5.415 3.440 679 3HG1 VAL 87 3HG1 VAL 87 6.154 -4.771 1.866 680 1HG2 VAL 87 1HG2 VAL 87 7.312 -6.913 4.430 681 2HG2 VAL 87 2HG2 VAL 87 8.297 -7.981 3.430 682 3HG2 VAL 87 3HG2 VAL 87 6.577 -8.308 3.642 683 H VAL 88 H VAL 88 4.706 -9.552 1.518 684 HA VAL 88 HA VAL 88 2.199 -8.647 2.373 685 HB VAL 88 HB VAL 88 2.269 -10.785 1.375 686 1HG1 VAL 88 1HG1 VAL 88 4.054 -12.100 1.555 687 2HG1 VAL 88 2HG1 VAL 88 3.654 -12.428 3.240 688 3HG1 VAL 88 3HG1 VAL 88 4.697 -11.067 2.831 689 1HG2 VAL 88 1HG2 VAL 88 0.920 -11.981 2.774 690 2HG2 VAL 88 2HG2 VAL 88 0.880 -10.419 3.593 691 3HG2 VAL 88 3HG2 VAL 88 1.937 -11.700 4.185 692 H GLY 89 H GLY 89 2.495 -7.215 4.095 693 1HA GLY 89 1HA GLY 89 2.006 -8.013 6.624 694 2HA GLY 89 2HA GLY 89 3.759 -8.109 6.538 695 H ALA 90 H ALA 90 4.579 -6.422 7.572 696 HA ALA 90 HA ALA 90 4.749 -3.873 6.760 697 1HB ALA 90 1HB ALA 90 3.001 -2.766 8.397 698 2HB ALA 90 2HB ALA 90 2.123 -4.269 8.115 699 3HB ALA 90 3HB ALA 90 2.548 -3.227 6.756 700 H ASN 91 H ASN 91 6.169 -5.756 8.303 701 HA ASN 91 HA ASN 91 6.210 -5.059 11.034 702 1HB ASN 91 1HB ASN 91 8.253 -6.392 11.056 703 2HB ASN 91 2HB ASN 91 6.983 -7.221 10.187 704 1HD2 ASN 91 1HD2 ASN 91 7.620 -8.153 8.395 705 2HD2 ASN 91 2HD2 ASN 91 8.925 -7.643 7.385 706 HA PRO 92 HA PRO 92 8.349 -1.188 11.047 707 1HB PRO 92 1HB PRO 92 9.830 -2.456 13.314 708 2HB PRO 92 2HB PRO 92 9.076 -0.859 13.216 709 1HG PRO 92 1HG PRO 92 7.846 -2.789 14.529 710 2HG PRO 92 2HG PRO 92 6.923 -1.723 13.449 711 1HD PRO 92 1HD PRO 92 7.832 -4.537 13.004 712 2HD PRO 92 2HD PRO 92 6.305 -3.757 12.538 713 H ALA 93 H ALA 93 9.999 -4.236 10.807 714 HA ALA 93 HA ALA 93 12.510 -2.907 10.104 715 1HB ALA 93 1HB ALA 93 13.607 -4.752 10.784 716 2HB ALA 93 2HB ALA 93 12.395 -5.850 10.125 717 3HB ALA 93 3HB ALA 93 12.113 -5.052 11.672 718 H ALA 94 H ALA 94 10.021 -3.129 8.321 719 HA ALA 94 HA ALA 94 11.517 -3.842 5.957 720 1HB ALA 94 1HB ALA 94 10.555 -5.995 6.584 721 2HB ALA 94 2HB ALA 94 9.852 -5.400 5.080 722 3HB ALA 94 3HB ALA 94 8.944 -5.276 6.587 723 H ILE 95 H ILE 95 8.139 -3.177 6.909 724 HA ILE 95 HA ILE 95 7.374 -1.866 4.613 725 HB ILE 95 HB ILE 95 5.759 -2.396 6.302 726 1HG1 ILE 95 1HG1 ILE 95 4.480 -0.346 6.431 727 2HG1 ILE 95 2HG1 ILE 95 5.921 0.619 6.136 728 1HG2 ILE 95 1HG2 ILE 95 5.864 -0.639 8.348 729 2HG2 ILE 95 2HG2 ILE 95 7.582 -0.876 8.029 730 3HG2 ILE 95 3HG2 ILE 95 6.555 -2.261 8.396 731 1HD1 ILE 95 1HD1 ILE 95 5.887 -0.971 3.938 732 2HD1 ILE 95 2HD1 ILE 95 5.181 0.640 4.029 733 3HD1 ILE 95 3HD1 ILE 95 4.166 -0.781 4.264 734 H LYS 96 H LYS 96 9.748 -0.870 6.857 735 HA LYS 96 HA LYS 96 9.480 1.946 6.129 736 1HB LYS 96 1HB LYS 96 11.172 2.407 7.790 737 2HB LYS 96 2HB LYS 96 9.919 1.395 8.486 738 1HG LYS 96 1HG LYS 96 11.742 0.345 9.312 739 2HG LYS 96 2HG LYS 96 11.591 -0.525 7.786 740 1HD LYS 96 1HD LYS 96 13.325 0.732 6.787 741 2HD LYS 96 2HD LYS 96 13.299 1.931 8.079 742 1HE LYS 96 1HE LYS 96 14.114 -0.954 8.406 743 2HE LYS 96 2HE LYS 96 15.230 0.399 8.234 744 1HZ LYS 96 1HZ LYS 96 14.190 1.355 10.262 745 2HZ LYS 96 2HZ LYS 96 15.012 -0.097 10.533 746 3HZ LYS 96 3HZ LYS 96 13.323 -0.085 10.454 747 H GLN 97 H GLN 97 11.698 -0.754 5.762 748 HA GLN 97 HA GLN 97 13.611 0.760 4.253 749 1HB GLN 97 1HB GLN 97 13.297 -2.245 4.437 750 2HB GLN 97 2HB GLN 97 14.716 -1.376 3.869 751 1HG GLN 97 1HG GLN 97 15.015 -0.424 6.106 752 2HG GLN 97 2HG GLN 97 13.609 -1.332 6.662 753 1HE2 GLN 97 1HE2 GLN 97 16.860 -1.316 6.650 754 2HE2 GLN 97 2HE2 GLN 97 17.177 -3.007 6.804 755 H ALA 98 H ALA 98 10.830 -1.238 3.578 756 HA ALA 98 HA ALA 98 11.274 -1.680 0.834 757 1HB ALA 98 1HB ALA 98 8.479 -1.328 1.710 758 2HB ALA 98 2HB ALA 98 9.420 -2.537 2.582 759 3HB ALA 98 3HB ALA 98 9.236 -2.657 0.833 760 H ILE 99 H ILE 99 9.983 1.021 2.615 761 HA ILE 99 HA ILE 99 9.144 2.413 0.205 762 HB ILE 99 HB ILE 99 9.127 3.405 3.060 763 1HG1 ILE 99 1HG1 ILE 99 6.935 2.052 1.472 764 2HG1 ILE 99 2HG1 ILE 99 7.803 1.349 2.830 765 1HG2 ILE 99 1HG2 ILE 99 8.649 4.720 0.619 766 2HG2 ILE 99 2HG2 ILE 99 8.334 5.317 2.246 767 3HG2 ILE 99 3HG2 ILE 99 7.071 4.466 1.361 768 1HD1 ILE 99 1HD1 ILE 99 6.352 2.235 4.236 769 2HD1 ILE 99 2HD1 ILE 99 5.450 2.889 2.869 770 3HD1 ILE 99 3HD1 ILE 99 6.714 3.852 3.633 771 H ALA 100 H ALA 100 11.955 2.095 2.080 772 HA ALA 100 HA ALA 100 12.978 4.749 1.464 773 1HB ALA 100 1HB ALA 100 13.856 4.315 3.487 774 2HB ALA 100 2HB ALA 100 15.078 3.434 2.571 775 3HB ALA 100 3HB ALA 100 13.717 2.569 3.286 776 H ALA 101 H ALA 101 14.481 1.537 1.168 777 HA ALA 101 HA ALA 101 16.350 2.141 -0.743 778 1HB ALA 101 1HB ALA 101 16.584 -0.171 -1.135 779 2HB ALA 101 2HB ALA 101 14.900 -0.492 -0.717 780 3HB ALA 101 3HB ALA 101 16.048 -0.027 0.539 781 H ASN 102 H ASN 102 12.926 1.611 -1.184 782 HA ASN 102 HA ASN 102 13.119 1.404 -4.050 783 1HB ASN 102 1HB ASN 102 10.797 1.597 -2.130 784 2HB ASN 102 2HB ASN 102 10.612 1.463 -3.876 785 1HD2 ASN 102 1HD2 ASN 102 13.309 -0.287 -3.141 786 2HD2 ASN 102 2HD2 ASN 102 12.588 -1.840 -2.938 787 H ALA 103 H ALA 103 12.103 3.804 -1.653 788 HA ALA 103 HA ALA 103 11.106 5.740 -3.404 789 1HB ALA 103 1HB ALA 103 10.632 6.077 -1.143 790 2HB ALA 103 2HB ALA 103 11.787 7.353 -1.528 791 3HB ALA 103 3HB ALA 103 12.323 5.909 -0.668 Start of MODEL 17 1 1H MET 1 1H MET 1 -1.016 13.425 4.355 2 2H MET 1 2H MET 1 -1.138 12.211 3.151 3 3H MET 1 3H MET 1 -0.730 11.786 4.761 4 HA MET 1 HA MET 1 -2.876 12.596 5.494 5 1HB MET 1 1HB MET 1 -4.579 13.043 3.786 6 2HB MET 1 2HB MET 1 -3.231 14.164 3.642 7 1HG MET 1 1HG MET 1 -2.337 12.859 1.786 8 2HG MET 1 2HG MET 1 -3.678 11.725 1.935 9 1HE MET 1 1HE MET 1 -4.426 16.037 1.733 10 2HE MET 1 2HE MET 1 -3.322 15.839 0.373 11 3HE MET 1 3HE MET 1 -2.842 15.301 1.981 12 H VAL 2 H VAL 2 -2.086 10.603 2.669 13 HA VAL 2 HA VAL 2 -2.409 8.394 2.239 14 HB VAL 2 HB VAL 2 -3.230 8.184 5.139 15 1HG1 VAL 2 1HG1 VAL 2 -2.019 5.819 4.231 16 2HG1 VAL 2 2HG1 VAL 2 -3.201 6.275 3.004 17 3HG1 VAL 2 3HG1 VAL 2 -3.705 6.069 4.680 18 1HG2 VAL 2 1HG2 VAL 2 -0.763 7.169 5.102 19 2HG2 VAL 2 2HG2 VAL 2 -1.084 8.877 5.404 20 3HG2 VAL 2 3HG2 VAL 2 -0.596 8.343 3.796 21 H THR 3 H THR 3 -4.033 7.191 1.368 22 HA THR 3 HA THR 3 -6.769 7.540 2.282 23 HB THR 3 HB THR 3 -5.925 8.260 -0.532 24 HG1 THR 3 HG1 THR 3 -6.056 10.254 0.100 25 1HG2 THR 3 1HG2 THR 3 -8.370 9.073 -0.596 26 2HG2 THR 3 2HG2 THR 3 -8.620 7.904 0.701 27 3HG2 THR 3 3HG2 THR 3 -8.024 7.365 -0.868 28 H GLN 4 H GLN 4 -8.228 5.973 1.431 29 HA GLN 4 HA GLN 4 -6.911 3.466 0.720 30 1HB GLN 4 1HB GLN 4 -9.846 4.002 1.221 31 2HB GLN 4 2HB GLN 4 -9.049 2.436 1.194 32 1HG GLN 4 1HG GLN 4 -7.823 2.988 3.199 33 2HG GLN 4 2HG GLN 4 -8.520 4.605 3.211 34 1HE2 GLN 4 1HE2 GLN 4 -10.092 4.834 4.617 35 2HE2 GLN 4 2HE2 GLN 4 -11.209 3.613 5.113 36 H PHE 5 H PHE 5 -8.499 2.083 -0.829 37 HA PHE 5 HA PHE 5 -9.221 3.774 -3.120 38 1HB PHE 5 1HB PHE 5 -7.592 1.235 -3.199 39 2HB PHE 5 2HB PHE 5 -8.368 1.934 -4.625 40 HD1 PHE 5 HD1 PHE 5 -7.861 4.854 -3.874 41 HD2 PHE 5 HD2 PHE 5 -5.351 1.410 -3.919 42 HE1 PHE 5 HE1 PHE 5 -5.904 6.293 -4.276 43 HE2 PHE 5 HE2 PHE 5 -3.396 2.848 -4.325 44 HZ PHE 5 HZ PHE 5 -3.669 5.287 -4.503 45 H LYS 6 H LYS 6 -11.007 3.218 -4.237 46 HA LYS 6 HA LYS 6 -12.548 0.935 -3.194 47 1HB LYS 6 1HB LYS 6 -13.550 3.503 -4.442 48 2HB LYS 6 2HB LYS 6 -14.565 2.185 -3.873 49 1HG LYS 6 1HG LYS 6 -12.746 3.877 -2.170 50 2HG LYS 6 2HG LYS 6 -14.503 4.006 -2.266 51 1HD LYS 6 1HD LYS 6 -14.730 1.746 -1.382 52 2HD LYS 6 2HD LYS 6 -12.975 1.578 -1.327 53 1HE LYS 6 1HE LYS 6 -13.872 2.103 0.876 54 2HE LYS 6 2HE LYS 6 -12.848 3.410 0.284 55 1HZ LYS 6 1HZ LYS 6 -15.819 3.367 0.220 56 2HZ LYS 6 2HZ LYS 6 -14.845 4.619 -0.368 57 3HZ LYS 6 3HZ LYS 6 -14.863 4.269 1.287 58 H THR 7 H THR 7 -12.177 2.914 -6.137 59 HA THR 7 HA THR 7 -12.807 0.529 -7.737 60 HB THR 7 HB THR 7 -13.252 2.114 -9.581 61 HG1 THR 7 HG1 THR 7 -13.191 4.304 -9.199 62 1HG2 THR 7 1HG2 THR 7 -15.058 3.518 -8.129 63 2HG2 THR 7 2HG2 THR 7 -14.765 2.128 -7.083 64 3HG2 THR 7 3HG2 THR 7 -15.305 1.882 -8.743 65 H ALA 8 H ALA 8 -11.637 0.499 -9.916 66 HA ALA 8 HA ALA 8 -8.812 0.553 -9.368 67 1HB ALA 8 1HB ALA 8 -10.551 -0.564 -11.477 68 2HB ALA 8 2HB ALA 8 -9.185 -1.289 -10.629 69 3HB ALA 8 3HB ALA 8 -8.902 -0.158 -11.953 70 H SER 9 H SER 9 -11.092 2.525 -11.086 71 HA SER 9 HA SER 9 -9.333 3.902 -12.782 72 1HB SER 9 1HB SER 9 -11.872 4.894 -11.462 73 2HB SER 9 2HB SER 9 -11.063 5.666 -12.825 74 HG SER 9 HG SER 9 -12.700 3.473 -12.771 75 H GLU 10 H GLU 10 -9.608 3.928 -9.384 76 HA GLU 10 HA GLU 10 -8.474 6.563 -9.076 77 1HB GLU 10 1HB GLU 10 -9.199 4.488 -7.016 78 2HB GLU 10 2HB GLU 10 -8.650 6.121 -6.658 79 1HG GLU 10 1HG GLU 10 -11.166 5.412 -8.153 80 2HG GLU 10 2HG GLU 10 -11.077 5.881 -6.456 81 H PHE 11 H PHE 11 -7.648 3.363 -7.878 82 HA PHE 11 HA PHE 11 -5.016 3.946 -7.140 83 1HB PHE 11 1HB PHE 11 -6.384 1.932 -6.463 84 2HB PHE 11 2HB PHE 11 -6.034 1.248 -8.044 85 HD1 PHE 11 HD1 PHE 11 -5.252 -0.565 -6.275 86 HD2 PHE 11 HD2 PHE 11 -3.229 3.097 -7.063 87 HE1 PHE 11 HE1 PHE 11 -3.167 -1.521 -5.378 88 HE2 PHE 11 HE2 PHE 11 -1.147 2.142 -6.181 89 HZ PHE 11 HZ PHE 11 -1.117 -0.165 -5.337 90 H ASP 12 H ASP 12 -6.406 3.279 -10.242 91 HA ASP 12 HA ASP 12 -4.242 2.282 -11.659 92 1HB ASP 12 1HB ASP 12 -6.493 2.447 -12.607 93 2HB ASP 12 2HB ASP 12 -6.372 4.204 -12.621 94 H SER 13 H SER 13 -5.190 5.711 -11.351 95 HA SER 13 HA SER 13 -2.821 6.660 -12.616 96 1HB SER 13 1HB SER 13 -4.839 8.130 -10.905 97 2HB SER 13 2HB SER 13 -3.594 8.894 -11.893 98 HG SER 13 HG SER 13 -5.874 7.453 -12.710 99 H ALA 14 H ALA 14 -3.611 5.789 -9.365 100 HA ALA 14 HA ALA 14 -1.858 7.354 -7.891 101 1HB ALA 14 1HB ALA 14 -3.552 5.259 -7.349 102 2HB ALA 14 2HB ALA 14 -2.522 6.086 -6.181 103 3HB ALA 14 3HB ALA 14 -1.966 4.600 -6.950 104 H ILE 15 H ILE 15 -1.219 4.400 -9.719 105 HA ILE 15 HA ILE 15 1.559 4.369 -8.872 106 HB ILE 15 HB ILE 15 1.781 2.350 -10.222 107 1HG1 ILE 15 1HG1 ILE 15 -1.117 2.850 -10.945 108 2HG1 ILE 15 2HG1 ILE 15 0.255 2.871 -12.048 109 1HG2 ILE 15 1HG2 ILE 15 0.433 0.919 -8.870 110 2HG2 ILE 15 2HG2 ILE 15 -0.715 2.217 -8.545 111 3HG2 ILE 15 3HG2 ILE 15 0.918 2.299 -7.884 112 1HD1 ILE 15 1HD1 ILE 15 -0.806 0.811 -12.387 113 2HD1 ILE 15 2HD1 ILE 15 -0.970 0.518 -10.655 114 3HD1 ILE 15 3HD1 ILE 15 0.620 0.449 -11.415 115 H ALA 16 H ALA 16 -0.234 4.762 -11.920 116 HA ALA 16 HA ALA 16 1.763 5.041 -13.725 117 1HB ALA 16 1HB ALA 16 0.229 5.949 -15.121 118 2HB ALA 16 2HB ALA 16 -0.348 7.102 -13.916 119 3HB ALA 16 3HB ALA 16 -0.871 5.420 -13.848 120 H GLN 17 H GLN 17 3.650 6.005 -13.321 121 HA GLN 17 HA GLN 17 5.189 7.589 -12.717 122 1HB GLN 17 1HB GLN 17 3.181 9.315 -14.170 123 2HB GLN 17 2HB GLN 17 4.848 9.761 -13.840 124 1HG GLN 17 1HG GLN 17 5.622 7.894 -15.211 125 2HG GLN 17 2HG GLN 17 3.943 7.450 -15.545 126 1HE2 GLN 17 1HE2 GLN 17 6.543 8.943 -16.802 127 2HE2 GLN 17 2HE2 GLN 17 5.772 10.035 -17.897 128 H ASP 18 H ASP 18 4.944 7.541 -10.443 129 HA ASP 18 HA ASP 18 4.240 10.041 -9.316 130 1HB ASP 18 1HB ASP 18 1.984 8.907 -9.649 131 2HB ASP 18 2HB ASP 18 2.488 7.757 -8.416 132 H LYS 19 H LYS 19 6.554 8.430 -9.316 133 HA LYS 19 HA LYS 19 8.196 7.732 -7.892 134 1HB LYS 19 1HB LYS 19 6.363 9.005 -5.870 135 2HB LYS 19 2HB LYS 19 8.014 8.517 -5.538 136 1HG LYS 19 1HG LYS 19 8.027 10.853 -5.903 137 2HG LYS 19 2HG LYS 19 8.757 10.096 -7.319 138 1HD LYS 19 1HD LYS 19 6.740 10.393 -8.590 139 2HD LYS 19 2HD LYS 19 5.873 10.964 -7.163 140 1HE LYS 19 1HE LYS 19 6.516 12.821 -8.605 141 2HE LYS 19 2HE LYS 19 7.341 12.912 -7.049 142 1HZ LYS 19 1HZ LYS 19 8.585 13.170 -9.375 143 2HZ LYS 19 2HZ LYS 19 8.749 11.500 -9.164 144 3HZ LYS 19 3HZ LYS 19 9.341 12.562 -7.988 145 H LEU 20 H LEU 20 7.838 6.801 -5.184 146 HA LEU 20 HA LEU 20 6.740 4.171 -5.812 147 1HB LEU 20 1HB LEU 20 9.016 4.219 -4.969 148 2HB LEU 20 2HB LEU 20 8.501 5.131 -3.551 149 HG LEU 20 HG LEU 20 7.122 3.170 -2.864 150 1HD1 LEU 20 1HD1 LEU 20 8.410 1.117 -4.285 151 2HD1 LEU 20 2HD1 LEU 20 7.826 2.270 -5.484 152 3HD1 LEU 20 3HD1 LEU 20 6.705 1.559 -4.322 153 1HD2 LEU 20 1HD2 LEU 20 9.112 3.309 -1.701 154 2HD2 LEU 20 2HD2 LEU 20 10.094 3.029 -3.139 155 3HD2 LEU 20 3HD2 LEU 20 9.208 1.694 -2.403 156 H VAL 21 H VAL 21 4.738 3.777 -5.233 157 HA VAL 21 HA VAL 21 3.617 5.132 -2.877 158 HB VAL 21 HB VAL 21 2.136 3.763 -5.130 159 1HG1 VAL 21 1HG1 VAL 21 1.156 4.102 -2.695 160 2HG1 VAL 21 2HG1 VAL 21 0.167 4.350 -4.134 161 3HG1 VAL 21 3HG1 VAL 21 0.872 5.734 -3.300 162 1HG2 VAL 21 1HG2 VAL 21 3.144 6.519 -4.793 163 2HG2 VAL 21 2HG2 VAL 21 1.497 6.354 -5.404 164 3HG2 VAL 21 3HG2 VAL 21 2.837 5.592 -6.262 165 H VAL 22 H VAL 22 3.049 3.979 -1.135 166 HA VAL 22 HA VAL 22 3.348 1.065 -1.269 167 HB VAL 22 HB VAL 22 3.186 2.850 1.167 168 1HG1 VAL 22 1HG1 VAL 22 3.808 0.942 2.452 169 2HG1 VAL 22 2HG1 VAL 22 4.062 -0.027 1.000 170 3HG1 VAL 22 3HG1 VAL 22 2.433 0.476 1.453 171 1HG2 VAL 22 1HG2 VAL 22 5.269 3.418 0.551 172 2HG2 VAL 22 2HG2 VAL 22 5.409 2.074 -0.580 173 3HG2 VAL 22 3HG2 VAL 22 5.702 1.813 1.139 174 H VAL 23 H VAL 23 1.416 0.303 -1.985 175 HA VAL 23 HA VAL 23 -1.017 1.195 -0.622 176 HB VAL 23 HB VAL 23 -0.814 -0.539 -3.083 177 1HG1 VAL 23 1HG1 VAL 23 -3.187 1.106 -2.351 178 2HG1 VAL 23 2HG1 VAL 23 -2.919 -0.427 -1.519 179 3HG1 VAL 23 3HG1 VAL 23 -3.095 -0.394 -3.273 180 1HG2 VAL 23 1HG2 VAL 23 -0.245 1.292 -4.209 181 2HG2 VAL 23 2HG2 VAL 23 -0.380 2.287 -2.760 182 3HG2 VAL 23 3HG2 VAL 23 -1.799 1.992 -3.762 183 H ASP 24 H ASP 24 -1.963 -0.025 0.855 184 HA ASP 24 HA ASP 24 -0.998 -2.759 1.235 185 1HB ASP 24 1HB ASP 24 -0.865 -1.201 3.152 186 2HB ASP 24 2HB ASP 24 -2.620 -1.002 3.084 187 H PHE 25 H PHE 25 -2.270 -4.499 0.923 188 HA PHE 25 HA PHE 25 -5.029 -4.059 0.073 189 1HB PHE 25 1HB PHE 25 -3.066 -6.335 -0.236 190 2HB PHE 25 2HB PHE 25 -4.768 -6.492 -0.662 191 HD1 PHE 25 HD1 PHE 25 -2.162 -3.863 -1.302 192 HD2 PHE 25 HD2 PHE 25 -5.076 -6.532 -2.863 193 HE1 PHE 25 HE1 PHE 25 -1.635 -3.086 -3.584 194 HE2 PHE 25 HE2 PHE 25 -4.577 -5.756 -5.138 195 HZ PHE 25 HZ PHE 25 -2.861 -4.024 -5.504 196 H TYR 26 H TYR 26 -4.803 -3.706 2.728 197 HA TYR 26 HA TYR 26 -4.882 -5.910 4.394 198 1HB TYR 26 1HB TYR 26 -6.385 -4.418 5.854 199 2HB TYR 26 2HB TYR 26 -4.766 -3.846 5.481 200 HD1 TYR 26 HD1 TYR 26 -8.116 -3.667 3.802 201 HD2 TYR 26 HD2 TYR 26 -4.674 -1.553 5.135 202 HE1 TYR 26 HE1 TYR 26 -9.072 -1.578 2.963 203 HE2 TYR 26 HE2 TYR 26 -5.621 0.533 4.348 204 HH TYR 26 HH TYR 26 -8.350 0.641 2.279 205 H ALA 27 H ALA 27 -6.266 -7.503 4.792 206 HA ALA 27 HA ALA 27 -8.338 -8.181 3.110 207 1HB ALA 27 1HB ALA 27 -7.660 -8.982 5.904 208 2HB ALA 27 2HB ALA 27 -7.633 -9.937 4.422 209 3HB ALA 27 3HB ALA 27 -9.170 -9.535 5.182 210 H THR 28 H THR 28 -10.632 -8.165 3.345 211 HA THR 28 HA THR 28 -11.559 -5.726 4.621 212 HB THR 28 HB THR 28 -12.241 -6.065 2.315 213 HG1 THR 28 HG1 THR 28 -14.446 -6.482 4.049 214 1HG2 THR 28 1HG2 THR 28 -14.134 -7.935 2.144 215 2HG2 THR 28 2HG2 THR 28 -13.060 -8.725 3.298 216 3HG2 THR 28 3HG2 THR 28 -12.447 -8.230 1.721 217 H TRP 29 H TRP 29 -10.911 -8.327 6.063 218 HA TRP 29 HA TRP 29 -13.378 -8.436 7.626 219 1HB TRP 29 1HB TRP 29 -13.076 -10.971 7.737 220 2HB TRP 29 2HB TRP 29 -13.698 -10.306 6.219 221 HD1 TRP 29 HD1 TRP 29 -11.939 -10.194 4.137 222 HE1 TRP 29 HE1 TRP 29 -9.893 -11.657 3.598 223 HE3 TRP 29 HE3 TRP 29 -11.193 -12.275 8.746 224 HZ2 TRP 29 HZ2 TRP 29 -8.181 -13.445 4.948 225 HZ3 TRP 29 HZ3 TRP 29 -9.321 -13.844 9.040 226 HH2 TRP 29 HH2 TRP 29 -7.848 -14.415 7.177 227 H CYS 30 H CYS 30 -9.979 -9.423 7.369 228 HA CYS 30 HA CYS 30 -9.249 -10.487 9.660 229 1HB CYS 30 1HB CYS 30 -7.625 -9.689 8.001 230 2HB CYS 30 2HB CYS 30 -7.882 -8.028 8.541 231 HG CYS 30 HG CYS 30 -6.169 -8.400 10.236 232 H GLY 31 H GLY 31 -9.004 -6.931 9.670 233 1HA GLY 31 1HA GLY 31 -10.499 -5.781 11.353 234 2HA GLY 31 2HA GLY 31 -9.923 -7.005 12.476 235 HA PRO 32 HA PRO 32 -6.501 -4.637 13.905 236 1HB PRO 32 1HB PRO 32 -4.712 -6.722 12.724 237 2HB PRO 32 2HB PRO 32 -4.696 -6.015 14.344 238 1HG PRO 32 1HG PRO 32 -5.699 -8.446 13.938 239 2HG PRO 32 2HG PRO 32 -6.467 -7.323 15.077 240 1HD PRO 32 1HD PRO 32 -7.339 -8.153 12.357 241 2HD PRO 32 2HD PRO 32 -8.314 -7.692 13.764 242 H CYS 33 H CYS 33 -6.372 -5.891 10.626 243 HA CYS 33 HA CYS 33 -4.292 -4.316 9.606 244 1HB CYS 33 1HB CYS 33 -6.768 -5.330 8.185 245 2HB CYS 33 2HB CYS 33 -5.297 -4.738 7.402 246 HG CYS 33 HG CYS 33 -5.569 -7.474 7.788 247 H LYS 34 H LYS 34 -7.494 -3.477 10.565 248 HA LYS 34 HA LYS 34 -7.819 -1.179 8.903 249 1HB LYS 34 1HB LYS 34 -9.741 -2.356 9.853 250 2HB LYS 34 2HB LYS 34 -9.204 -1.947 11.476 251 1HG LYS 34 1HG LYS 34 -9.531 0.424 10.990 252 2HG LYS 34 2HG LYS 34 -10.067 0.014 9.360 253 1HD LYS 34 1HD LYS 34 -11.938 -1.256 10.298 254 2HD LYS 34 2HD LYS 34 -11.398 -0.850 11.928 255 1HE LYS 34 1HE LYS 34 -12.289 1.110 9.814 256 2HE LYS 34 2HE LYS 34 -13.233 0.596 11.211 257 1HZ LYS 34 1HZ LYS 34 -10.994 2.448 11.064 258 2HZ LYS 34 2HZ LYS 34 -11.036 1.440 12.420 259 3HZ LYS 34 3HZ LYS 34 -12.344 2.458 12.084 260 H MET 35 H MET 35 -6.585 -1.722 12.162 261 HA MET 35 HA MET 35 -6.371 1.046 12.833 262 1HB MET 35 1HB MET 35 -6.518 -0.725 14.536 263 2HB MET 35 2HB MET 35 -4.961 -1.353 14.016 264 1HG MET 35 1HG MET 35 -3.868 0.685 14.727 265 2HG MET 35 2HG MET 35 -5.421 1.385 15.178 266 1HE MET 35 1HE MET 35 -6.644 -1.565 17.155 267 2HE MET 35 2HE MET 35 -7.048 0.004 16.456 268 3HE MET 35 3HE MET 35 -6.608 -0.116 18.160 269 H ILE 36 H ILE 36 -4.807 -0.627 10.526 270 HA ILE 36 HA ILE 36 -2.119 0.313 10.941 271 HB ILE 36 HB ILE 36 -3.491 -1.175 8.722 272 1HG1 ILE 36 1HG1 ILE 36 -1.310 -1.939 10.669 273 2HG1 ILE 36 2HG1 ILE 36 -3.003 -2.410 10.784 274 1HG2 ILE 36 1HG2 ILE 36 -0.799 0.079 8.758 275 2HG2 ILE 36 2HG2 ILE 36 -1.963 -0.078 7.441 276 3HG2 ILE 36 3HG2 ILE 36 -1.013 -1.476 7.950 277 1HD1 ILE 36 1HD1 ILE 36 -2.712 -3.528 8.550 278 2HD1 ILE 36 2HD1 ILE 36 -1.851 -4.256 9.906 279 3HD1 ILE 36 3HD1 ILE 36 -0.981 -3.258 8.743 280 H ALA 37 H ALA 37 -4.966 1.418 9.285 281 HA ALA 37 HA ALA 37 -3.948 3.010 7.281 282 1HB ALA 37 1HB ALA 37 -6.413 2.564 8.196 283 2HB ALA 37 2HB ALA 37 -6.021 3.914 7.132 284 3HB ALA 37 3HB ALA 37 -6.157 4.173 8.871 285 HA PRO 38 HA PRO 38 -3.333 6.612 10.441 286 1HB PRO 38 1HB PRO 38 -2.960 5.904 13.048 287 2HB PRO 38 2HB PRO 38 -4.534 6.354 12.375 288 1HG PRO 38 1HG PRO 38 -3.423 3.653 12.969 289 2HG PRO 38 2HG PRO 38 -5.080 4.253 13.149 290 1HD PRO 38 1HD PRO 38 -4.241 2.683 11.080 291 2HD PRO 38 2HD PRO 38 -5.603 3.799 10.965 292 H MET 39 H MET 39 -1.830 3.509 11.247 293 HA MET 39 HA MET 39 0.711 4.553 11.938 294 1HB MET 39 1HB MET 39 0.056 2.277 12.540 295 2HB MET 39 2HB MET 39 -0.049 1.828 10.851 296 1HG MET 39 1HG MET 39 2.326 2.197 10.623 297 2HG MET 39 2HG MET 39 2.439 2.657 12.313 298 1HE MET 39 1HE MET 39 0.867 0.236 10.043 299 2HE MET 39 2HE MET 39 0.419 -1.062 11.149 300 3HE MET 39 3HE MET 39 1.907 -1.179 10.207 301 H ILE 40 H ILE 40 -0.550 3.134 8.932 302 HA ILE 40 HA ILE 40 1.679 3.414 7.318 303 HB ILE 40 HB ILE 40 -1.254 3.649 6.621 304 1HG1 ILE 40 1HG1 ILE 40 0.760 1.407 6.349 305 2HG1 ILE 40 2HG1 ILE 40 -0.565 1.489 7.502 306 1HG2 ILE 40 1HG2 ILE 40 -0.603 4.480 4.649 307 2HG2 ILE 40 2HG2 ILE 40 0.050 2.876 4.315 308 3HG2 ILE 40 3HG2 ILE 40 1.096 4.135 4.969 309 1HD1 ILE 40 1HD1 ILE 40 -2.160 1.029 5.907 310 2HD1 ILE 40 2HD1 ILE 40 -0.792 0.068 5.341 311 3HD1 ILE 40 3HD1 ILE 40 -1.150 1.618 4.586 312 H GLU 41 H GLU 41 -0.506 5.829 8.510 313 HA GLU 41 HA GLU 41 0.286 7.881 6.663 314 1HB GLU 41 1HB GLU 41 -1.923 7.916 7.715 315 2HB GLU 41 2HB GLU 41 -1.181 8.040 9.303 316 1HG GLU 41 1HG GLU 41 -0.231 10.216 8.667 317 2HG GLU 41 2HG GLU 41 -1.033 10.090 7.101 318 H LYS 42 H LYS 42 1.321 6.705 9.765 319 HA LYS 42 HA LYS 42 2.838 8.948 10.577 320 1HB LYS 42 1HB LYS 42 3.049 6.022 11.300 321 2HB LYS 42 2HB LYS 42 3.977 7.293 12.085 322 1HG LYS 42 1HG LYS 42 1.916 8.340 12.851 323 2HG LYS 42 2HG LYS 42 0.972 7.090 12.037 324 1HD LYS 42 1HD LYS 42 1.182 6.622 14.426 325 2HD LYS 42 2HD LYS 42 1.990 5.385 13.461 326 1HE LYS 42 1HE LYS 42 3.344 6.025 15.389 327 2HE LYS 42 2HE LYS 42 4.143 6.455 13.878 328 1HZ LYS 42 1HZ LYS 42 3.401 8.733 14.170 329 2HZ LYS 42 2HZ LYS 42 4.301 8.231 15.510 330 3HZ LYS 42 3HZ LYS 42 2.616 8.322 15.611 331 H PHE 43 H PHE 43 3.377 6.568 8.179 332 HA PHE 43 HA PHE 43 6.264 6.904 8.192 333 1HB PHE 43 1HB PHE 43 4.423 5.248 6.462 334 2HB PHE 43 2HB PHE 43 6.168 5.320 6.238 335 HD1 PHE 43 HD1 PHE 43 3.817 4.855 9.100 336 HD2 PHE 43 HD2 PHE 43 7.306 3.518 7.063 337 HE1 PHE 43 HE1 PHE 43 4.093 3.060 10.762 338 HE2 PHE 43 HE2 PHE 43 7.586 1.720 8.719 339 HZ PHE 43 HZ PHE 43 5.981 1.489 10.570 340 H SER 44 H SER 44 3.533 8.304 6.696 341 HA SER 44 HA SER 44 4.710 9.115 4.252 342 1HB SER 44 1HB SER 44 2.282 9.095 4.562 343 2HB SER 44 2HB SER 44 2.418 10.351 5.804 344 HG SER 44 HG SER 44 3.284 11.725 4.168 345 H GLU 45 H GLU 45 5.295 10.095 7.435 346 HA GLU 45 HA GLU 45 6.024 12.820 6.781 347 1HB GLU 45 1HB GLU 45 5.041 12.335 8.966 348 2HB GLU 45 2HB GLU 45 6.360 11.231 9.330 349 1HG GLU 45 1HG GLU 45 6.669 13.346 10.462 350 2HG GLU 45 2HG GLU 45 7.940 13.086 9.268 351 H GLN 46 H GLN 46 7.541 9.719 6.995 352 HA GLN 46 HA GLN 46 10.218 10.848 7.112 353 1HB GLN 46 1HB GLN 46 9.291 7.980 6.922 354 2HB GLN 46 2HB GLN 46 10.961 8.494 7.126 355 1HG GLN 46 1HG GLN 46 10.385 9.523 9.259 356 2HG GLN 46 2HG GLN 46 8.712 9.009 9.054 357 1HE2 GLN 46 1HE2 GLN 46 8.211 7.292 10.188 358 2HE2 GLN 46 2HE2 GLN 46 9.279 5.974 10.587 359 H TYR 47 H TYR 47 8.070 9.291 4.801 360 HA TYR 47 HA TYR 47 10.077 9.819 2.704 361 1HB TYR 47 1HB TYR 47 8.032 7.592 2.761 362 2HB TYR 47 2HB TYR 47 9.200 7.890 1.478 363 HD1 TYR 47 HD1 TYR 47 11.714 7.869 2.210 364 HD2 TYR 47 HD2 TYR 47 8.557 6.118 4.455 365 HE1 TYR 47 HE1 TYR 47 13.345 6.444 3.374 366 HE2 TYR 47 HE2 TYR 47 10.177 4.676 5.624 367 HH TYR 47 HH TYR 47 12.622 3.755 4.979 368 HA PRO 48 HA PRO 48 5.792 12.170 2.363 369 1HB PRO 48 1HB PRO 48 7.942 14.152 1.737 370 2HB PRO 48 2HB PRO 48 6.367 14.411 2.500 371 1HG PRO 48 1HG PRO 48 8.633 14.263 3.939 372 2HG PRO 48 2HG PRO 48 7.086 13.659 4.553 373 1HD PRO 48 1HD PRO 48 9.472 12.158 3.706 374 2HD PRO 48 2HD PRO 48 8.106 11.638 4.715 375 H GLN 49 H GLN 49 8.738 11.916 0.489 376 HA GLN 49 HA GLN 49 7.785 12.830 -1.978 377 1HB GLN 49 1HB GLN 49 9.889 10.732 -1.419 378 2HB GLN 49 2HB GLN 49 9.636 11.519 -2.972 379 1HG GLN 49 1HG GLN 49 10.195 13.674 -1.974 380 2HG GLN 49 2HG GLN 49 10.437 12.890 -0.414 381 1HE2 GLN 49 1HE2 GLN 49 12.478 12.576 0.060 382 2HE2 GLN 49 2HE2 GLN 49 13.754 12.250 -1.058 383 H ALA 50 H ALA 50 7.639 9.662 -0.463 384 HA ALA 50 HA ALA 50 6.328 8.490 -2.779 385 1HB ALA 50 1HB ALA 50 6.223 6.526 -0.975 386 2HB ALA 50 2HB ALA 50 7.540 7.470 -0.277 387 3HB ALA 50 3HB ALA 50 7.667 6.865 -1.929 388 H ASP 51 H ASP 51 4.208 7.738 -2.804 389 HA ASP 51 HA ASP 51 2.428 9.086 -0.939 390 1HB ASP 51 1HB ASP 51 1.838 7.493 -3.443 391 2HB ASP 51 2HB ASP 51 0.631 8.341 -2.479 392 H PHE 52 H PHE 52 0.833 8.030 0.282 393 HA PHE 52 HA PHE 52 1.274 5.143 0.652 394 1HB PHE 52 1HB PHE 52 0.711 7.221 2.779 395 2HB PHE 52 2HB PHE 52 0.757 5.476 3.061 396 HD1 PHE 52 HD1 PHE 52 2.913 8.049 1.415 397 HD2 PHE 52 HD2 PHE 52 2.678 4.693 4.018 398 HE1 PHE 52 HE1 PHE 52 5.340 8.180 1.797 399 HE2 PHE 52 HE2 PHE 52 5.102 4.816 4.404 400 HZ PHE 52 HZ PHE 52 6.437 6.561 3.294 401 H TYR 53 H TYR 53 -0.446 4.453 -0.550 402 HA TYR 53 HA TYR 53 -3.119 5.391 0.250 403 1HB TYR 53 1HB TYR 53 -2.082 4.171 -2.300 404 2HB TYR 53 2HB TYR 53 -3.803 4.227 -1.934 405 HD1 TYR 53 HD1 TYR 53 -4.756 6.585 -1.341 406 HD2 TYR 53 HD2 TYR 53 -1.101 5.947 -3.422 407 HE1 TYR 53 HE1 TYR 53 -4.888 8.859 -2.262 408 HE2 TYR 53 HE2 TYR 53 -1.220 8.222 -4.343 409 HH TYR 53 HH TYR 53 -2.940 9.932 -4.813 410 H LYS 54 H LYS 54 -4.835 3.586 -0.126 411 HA LYS 54 HA LYS 54 -3.812 1.051 0.978 412 1HB LYS 54 1HB LYS 54 -6.596 1.777 1.657 413 2HB LYS 54 2HB LYS 54 -5.368 0.989 2.638 414 1HG LYS 54 1HG LYS 54 -5.472 3.941 2.058 415 2HG LYS 54 2HG LYS 54 -6.080 3.176 3.520 416 1HD LYS 54 1HD LYS 54 -3.222 3.032 2.590 417 2HD LYS 54 2HD LYS 54 -3.831 4.186 3.773 418 1HE LYS 54 1HE LYS 54 -3.000 2.527 5.121 419 2HE LYS 54 2HE LYS 54 -4.695 2.070 4.995 420 1HZ LYS 54 1HZ LYS 54 -4.072 0.497 3.235 421 2HZ LYS 54 2HZ LYS 54 -3.289 0.151 4.685 422 3HZ LYS 54 3HZ LYS 54 -2.450 0.912 3.431 423 H LEU 55 H LEU 55 -5.286 -0.812 0.545 424 HA LEU 55 HA LEU 55 -6.829 -0.425 -1.934 425 1HB LEU 55 1HB LEU 55 -4.554 -1.503 -2.266 426 2HB LEU 55 2HB LEU 55 -5.155 -2.857 -1.331 427 HG LEU 55 HG LEU 55 -5.259 -3.275 -3.751 428 1HD1 LEU 55 1HD1 LEU 55 -7.197 -4.436 -3.629 429 2HD1 LEU 55 2HD1 LEU 55 -8.113 -3.063 -3.008 430 3HD1 LEU 55 3HD1 LEU 55 -7.068 -3.987 -1.928 431 1HD2 LEU 55 1HD2 LEU 55 -7.374 -1.142 -3.874 432 2HD2 LEU 55 2HD2 LEU 55 -6.649 -2.040 -5.208 433 3HD2 LEU 55 3HD2 LEU 55 -5.692 -0.854 -4.320 434 H ASP 56 H ASP 56 -8.891 -0.716 -1.371 435 HA ASP 56 HA ASP 56 -9.762 -2.211 0.854 436 1HB ASP 56 1HB ASP 56 -11.017 -0.346 -0.393 437 2HB ASP 56 2HB ASP 56 -11.474 -1.594 -1.554 438 H VAL 57 H VAL 57 -9.581 -4.351 1.052 439 HA VAL 57 HA VAL 57 -9.297 -6.094 -1.168 440 HB VAL 57 HB VAL 57 -9.699 -6.638 1.781 441 1HG1 VAL 57 1HG1 VAL 57 -9.685 -8.508 -0.543 442 2HG1 VAL 57 2HG1 VAL 57 -10.511 -8.639 1.009 443 3HG1 VAL 57 3HG1 VAL 57 -8.786 -8.987 0.898 444 1HG2 VAL 57 1HG2 VAL 57 -7.359 -7.241 1.705 445 2HG2 VAL 57 2HG2 VAL 57 -7.559 -5.636 1.003 446 3HG2 VAL 57 3HG2 VAL 57 -7.316 -7.032 -0.047 447 H ASP 58 H ASP 58 -12.050 -4.693 0.189 448 HA ASP 58 HA ASP 58 -13.777 -6.895 -0.678 449 1HB ASP 58 1HB ASP 58 -14.327 -6.051 1.507 450 2HB ASP 58 2HB ASP 58 -14.395 -4.398 0.913 451 H GLU 59 H GLU 59 -13.704 -3.351 -0.916 452 HA GLU 59 HA GLU 59 -15.519 -3.032 -2.972 453 1HB GLU 59 1HB GLU 59 -14.073 -1.347 -1.461 454 2HB GLU 59 2HB GLU 59 -13.155 -1.228 -2.952 455 1HG GLU 59 1HG GLU 59 -16.063 -0.594 -2.527 456 2HG GLU 59 2HG GLU 59 -14.762 0.526 -2.914 457 H LEU 60 H LEU 60 -12.003 -3.521 -3.175 458 HA LEU 60 HA LEU 60 -12.059 -3.559 -6.054 459 1HB LEU 60 1HB LEU 60 -9.885 -4.079 -4.072 460 2HB LEU 60 2HB LEU 60 -9.643 -4.258 -5.784 461 HG LEU 60 HG LEU 60 -8.778 -2.137 -5.002 462 1HD1 LEU 60 1HD1 LEU 60 -9.340 -1.398 -6.995 463 2HD1 LEU 60 2HD1 LEU 60 -10.931 -0.941 -6.389 464 3HD1 LEU 60 3HD1 LEU 60 -10.667 -2.554 -7.043 465 1HD2 LEU 60 1HD2 LEU 60 -10.200 -0.432 -4.059 466 2HD2 LEU 60 2HD2 LEU 60 -10.303 -1.885 -3.066 467 3HD2 LEU 60 3HD2 LEU 60 -11.608 -1.487 -4.182 468 H GLY 61 H GLY 61 -10.864 -5.888 -3.736 469 1HA GLY 61 1HA GLY 61 -11.055 -8.182 -3.619 470 2HA GLY 61 2HA GLY 61 -12.427 -8.053 -4.710 471 H ASP 62 H ASP 62 -11.696 -7.420 -7.043 472 HA ASP 62 HA ASP 62 -10.280 -9.555 -8.104 473 1HB ASP 62 1HB ASP 62 -10.787 -6.871 -9.312 474 2HB ASP 62 2HB ASP 62 -10.257 -8.281 -10.209 475 H VAL 63 H VAL 63 -9.141 -6.481 -6.942 476 HA VAL 63 HA VAL 63 -6.584 -6.609 -8.213 477 HB VAL 63 HB VAL 63 -7.278 -5.022 -5.736 478 1HG1 VAL 63 1HG1 VAL 63 -5.307 -3.998 -5.981 479 2HG1 VAL 63 2HG1 VAL 63 -5.501 -3.849 -7.727 480 3HG1 VAL 63 3HG1 VAL 63 -4.876 -5.345 -7.034 481 1HG2 VAL 63 1HG2 VAL 63 -7.587 -4.126 -8.598 482 2HG2 VAL 63 2HG2 VAL 63 -8.010 -3.226 -7.143 483 3HG2 VAL 63 3HG2 VAL 63 -8.922 -4.669 -7.585 484 H ALA 64 H ALA 64 -7.659 -7.177 -4.843 485 HA ALA 64 HA ALA 64 -5.202 -8.053 -3.800 486 1HB ALA 64 1HB ALA 64 -7.655 -7.672 -2.749 487 2HB ALA 64 2HB ALA 64 -6.373 -8.571 -1.936 488 3HB ALA 64 3HB ALA 64 -7.626 -9.433 -2.829 489 H GLN 65 H GLN 65 -7.469 -9.567 -5.931 490 HA GLN 65 HA GLN 65 -6.324 -12.213 -5.579 491 1HB GLN 65 1HB GLN 65 -8.744 -12.017 -5.867 492 2HB GLN 65 2HB GLN 65 -8.509 -11.226 -7.419 493 1HG GLN 65 1HG GLN 65 -7.480 -13.261 -8.299 494 2HG GLN 65 2HG GLN 65 -7.726 -14.053 -6.742 495 1HE2 GLN 65 1HE2 GLN 65 -8.914 -13.803 -9.759 496 2HE2 GLN 65 2HE2 GLN 65 -10.568 -14.211 -9.473 497 H LYS 66 H LYS 66 -6.423 -9.627 -8.008 498 HA LYS 66 HA LYS 66 -5.188 -11.033 -10.092 499 1HB LYS 66 1HB LYS 66 -4.935 -8.997 -11.192 500 2HB LYS 66 2HB LYS 66 -6.290 -8.685 -10.119 501 1HG LYS 66 1HG LYS 66 -4.841 -7.509 -8.581 502 2HG LYS 66 2HG LYS 66 -3.438 -7.886 -9.579 503 1HD LYS 66 1HD LYS 66 -4.477 -6.631 -11.441 504 2HD LYS 66 2HD LYS 66 -5.811 -6.198 -10.371 505 1HE LYS 66 1HE LYS 66 -4.253 -4.367 -10.472 506 2HE LYS 66 2HE LYS 66 -4.189 -5.092 -8.866 507 1HZ LYS 66 1HZ LYS 66 -1.976 -4.786 -9.443 508 2HZ LYS 66 2HZ LYS 66 -2.207 -5.272 -11.046 509 3HZ LYS 66 3HZ LYS 66 -2.236 -6.418 -9.805 510 H ASN 67 H ASN 67 -3.767 -9.003 -7.545 511 HA ASN 67 HA ASN 67 -1.082 -9.571 -8.343 512 1HB ASN 67 1HB ASN 67 -2.261 -8.278 -5.874 513 2HB ASN 67 2HB ASN 67 -0.537 -8.378 -6.225 514 1HD2 ASN 67 1HD2 ASN 67 -3.119 -6.413 -6.346 515 2HD2 ASN 67 2HD2 ASN 67 -2.632 -5.349 -7.638 516 H GLU 68 H GLU 68 -3.405 -11.377 -6.806 517 HA GLU 68 HA GLU 68 -3.379 -13.348 -5.691 518 1HB GLU 68 1HB GLU 68 -0.400 -13.265 -6.195 519 2HB GLU 68 2HB GLU 68 -1.307 -14.667 -5.648 520 1HG GLU 68 1HG GLU 68 -2.569 -14.674 -7.733 521 2HG GLU 68 2HG GLU 68 -1.673 -13.260 -8.282 522 H VAL 69 H VAL 69 -3.399 -11.001 -4.181 523 HA VAL 69 HA VAL 69 -1.721 -11.739 -1.870 524 HB VAL 69 HB VAL 69 -2.927 -9.041 -2.492 525 1HG1 VAL 69 1HG1 VAL 69 -2.655 -9.590 -0.077 526 2HG1 VAL 69 2HG1 VAL 69 -1.690 -8.218 -0.618 527 3HG1 VAL 69 3HG1 VAL 69 -0.926 -9.789 -0.365 528 1HG2 VAL 69 1HG2 VAL 69 -1.226 -9.106 -4.015 529 2HG2 VAL 69 2HG2 VAL 69 -0.276 -10.253 -3.070 530 3HG2 VAL 69 3HG2 VAL 69 -0.329 -8.555 -2.600 531 H SER 70 H SER 70 -3.245 -13.266 -1.091 532 HA SER 70 HA SER 70 -5.887 -12.276 -0.365 533 1HB SER 70 1HB SER 70 -6.378 -14.582 0.282 534 2HB SER 70 2HB SER 70 -5.700 -14.526 -1.354 535 HG SER 70 HG SER 70 -4.246 -15.122 1.015 536 H ALA 71 H ALA 71 -2.793 -12.813 1.059 537 HA ALA 71 HA ALA 71 -3.437 -13.268 3.729 538 1HB ALA 71 1HB ALA 71 -1.191 -13.422 3.496 539 2HB ALA 71 2HB ALA 71 -1.243 -11.730 3.990 540 3HB ALA 71 3HB ALA 71 -1.121 -12.145 2.281 541 H MET 72 H MET 72 -2.613 -11.270 5.363 542 HA MET 72 HA MET 72 -3.610 -8.727 4.678 543 1HB MET 72 1HB MET 72 -5.608 -8.905 6.348 544 2HB MET 72 2HB MET 72 -5.783 -9.416 4.678 545 1HG MET 72 1HG MET 72 -6.825 -11.071 5.989 546 2HG MET 72 2HG MET 72 -5.297 -11.758 5.448 547 1HE MET 72 1HE MET 72 -5.163 -13.656 8.444 548 2HE MET 72 2HE MET 72 -6.121 -13.452 6.977 549 3HE MET 72 3HE MET 72 -6.817 -13.052 8.548 550 HA PRO 73 HA PRO 73 -3.288 -6.934 5.048 551 1HB PRO 73 1HB PRO 73 -1.552 -5.008 5.566 552 2HB PRO 73 2HB PRO 73 -2.995 -5.201 6.585 553 1HG PRO 73 1HG PRO 73 -0.192 -6.141 7.083 554 2HG PRO 73 2HG PRO 73 -1.286 -5.284 8.177 555 1HD PRO 73 1HD PRO 73 -0.934 -7.996 8.217 556 2HD PRO 73 2HD PRO 73 -2.430 -7.187 8.734 557 H THR 74 H THR 74 -1.652 -5.826 3.448 558 HA THR 74 HA THR 74 0.828 -7.324 3.129 559 HB THR 74 HB THR 74 -1.234 -7.200 0.925 560 HG1 THR 74 HG1 THR 74 -0.473 -9.678 1.768 561 1HG2 THR 74 1HG2 THR 74 0.353 -7.796 -0.494 562 2HG2 THR 74 2HG2 THR 74 0.818 -9.152 0.533 563 3HG2 THR 74 3HG2 THR 74 1.544 -7.567 0.784 564 H LEU 75 H LEU 75 2.399 -6.204 1.970 565 HA LEU 75 HA LEU 75 1.644 -3.453 1.250 566 1HB LEU 75 1HB LEU 75 4.323 -4.555 2.085 567 2HB LEU 75 2HB LEU 75 4.022 -2.893 1.611 568 HG LEU 75 HG LEU 75 2.893 -4.298 4.030 569 1HD1 LEU 75 1HD1 LEU 75 4.185 -2.206 5.012 570 2HD1 LEU 75 2HD1 LEU 75 5.137 -2.427 3.544 571 3HD1 LEU 75 3HD1 LEU 75 4.990 -3.745 4.706 572 1HD2 LEU 75 1HD2 LEU 75 1.190 -2.841 3.353 573 2HD2 LEU 75 2HD2 LEU 75 2.333 -1.602 2.835 574 3HD2 LEU 75 3HD2 LEU 75 2.101 -1.927 4.552 575 H LEU 76 H LEU 76 1.721 -2.869 -0.784 576 HA LEU 76 HA LEU 76 3.398 -4.411 -2.652 577 1HB LEU 76 1HB LEU 76 0.664 -3.198 -3.049 578 2HB LEU 76 2HB LEU 76 1.676 -3.706 -4.397 579 HG LEU 76 HG LEU 76 0.449 -5.436 -2.253 580 1HD1 LEU 76 1HD1 LEU 76 -0.445 -4.630 -4.763 581 2HD1 LEU 76 2HD1 LEU 76 -1.084 -5.943 -3.775 582 3HD1 LEU 76 3HD1 LEU 76 0.146 -6.276 -4.996 583 1HD2 LEU 76 1HD2 LEU 76 2.390 -6.594 -2.407 584 2HD2 LEU 76 2HD2 LEU 76 2.797 -5.921 -3.985 585 3HD2 LEU 76 3HD2 LEU 76 1.618 -7.226 -3.861 586 H LEU 77 H LEU 77 4.898 -3.292 -3.724 587 HA LEU 77 HA LEU 77 4.764 -0.354 -3.611 588 1HB LEU 77 1HB LEU 77 7.147 -2.187 -3.857 589 2HB LEU 77 2HB LEU 77 7.232 -0.439 -3.937 590 HG LEU 77 HG LEU 77 6.348 -0.320 -1.621 591 1HD1 LEU 77 1HD1 LEU 77 6.300 -3.274 -1.973 592 2HD1 LEU 77 2HD1 LEU 77 5.145 -2.212 -1.169 593 3HD1 LEU 77 3HD1 LEU 77 6.672 -2.610 -0.383 594 1HD2 LEU 77 1HD2 LEU 77 8.398 -0.877 -0.554 595 2HD2 LEU 77 2HD2 LEU 77 8.792 -0.344 -2.188 596 3HD2 LEU 77 3HD2 LEU 77 8.796 -2.063 -1.797 597 H PHE 78 H PHE 78 4.790 0.828 -5.420 598 HA PHE 78 HA PHE 78 5.344 -0.498 -7.990 599 1HB PHE 78 1HB PHE 78 3.032 1.386 -7.474 600 2HB PHE 78 2HB PHE 78 3.389 0.542 -8.978 601 HD1 PHE 78 HD1 PHE 78 3.433 -2.061 -8.838 602 HD2 PHE 78 HD2 PHE 78 1.551 0.462 -5.973 603 HE1 PHE 78 HE1 PHE 78 2.043 -3.950 -8.092 604 HE2 PHE 78 HE2 PHE 78 0.160 -1.425 -5.223 605 HZ PHE 78 HZ PHE 78 0.398 -3.628 -6.282 606 H LYS 79 H LYS 79 6.724 0.644 -9.255 607 HA LYS 79 HA LYS 79 7.179 3.478 -8.557 608 1HB LYS 79 1HB LYS 79 8.987 1.317 -9.554 609 2HB LYS 79 2HB LYS 79 9.361 2.987 -9.950 610 1HG LYS 79 1HG LYS 79 8.967 1.955 -7.149 611 2HG LYS 79 2HG LYS 79 10.533 2.141 -7.938 612 1HD LYS 79 1HD LYS 79 8.545 4.340 -7.367 613 2HD LYS 79 2HD LYS 79 10.058 4.049 -6.507 614 1HE LYS 79 1HE LYS 79 9.767 4.808 -9.411 615 2HE LYS 79 2HE LYS 79 10.322 5.855 -8.107 616 1HZ LYS 79 1HZ LYS 79 12.227 4.409 -7.795 617 2HZ LYS 79 2HZ LYS 79 12.169 4.970 -9.390 618 3HZ LYS 79 3HZ LYS 79 11.691 3.388 -9.032 619 H ASN 80 H ASN 80 6.696 5.022 -10.001 620 HA ASN 80 HA ASN 80 5.791 5.962 -11.879 621 1HB ASN 80 1HB ASN 80 7.949 4.253 -13.129 622 2HB ASN 80 2HB ASN 80 7.157 5.616 -13.911 623 1HD2 ASN 80 1HD2 ASN 80 8.318 7.384 -13.889 624 2HD2 ASN 80 2HD2 ASN 80 9.421 7.872 -12.651 625 H GLY 81 H GLY 81 3.990 4.210 -11.220 626 1HA GLY 81 1HA GLY 81 2.240 2.965 -11.997 627 2HA GLY 81 2HA GLY 81 2.710 3.494 -13.605 628 H LYS 82 H LYS 82 5.167 1.845 -11.926 629 HA LYS 82 HA LYS 82 4.594 -0.598 -13.465 630 1HB LYS 82 1HB LYS 82 7.281 0.405 -12.509 631 2HB LYS 82 2HB LYS 82 6.991 -0.998 -13.526 632 1HG LYS 82 1HG LYS 82 6.456 1.864 -14.276 633 2HG LYS 82 2HG LYS 82 7.801 0.872 -14.834 634 1HD LYS 82 1HD LYS 82 6.223 -0.665 -15.901 635 2HD LYS 82 2HD LYS 82 4.875 0.325 -15.336 636 1HE LYS 82 1HE LYS 82 5.401 0.806 -17.669 637 2HE LYS 82 2HE LYS 82 5.700 2.211 -16.648 638 1HZ LYS 82 1HZ LYS 82 7.908 2.120 -17.014 639 2HZ LYS 82 2HZ LYS 82 7.443 1.320 -18.429 640 3HZ LYS 82 3HZ LYS 82 7.959 0.430 -17.087 641 H GLU 83 H GLU 83 6.687 -2.045 -12.081 642 HA GLU 83 HA GLU 83 5.277 -2.538 -9.548 643 1HB GLU 83 1HB GLU 83 5.258 -4.400 -11.176 644 2HB GLU 83 2HB GLU 83 7.014 -4.394 -11.197 645 1HG GLU 83 1HG GLU 83 7.095 -5.099 -8.903 646 2HG GLU 83 2HG GLU 83 5.341 -4.963 -8.761 647 H VAL 84 H VAL 84 6.833 -3.552 -7.846 648 HA VAL 84 HA VAL 84 9.498 -2.403 -7.972 649 HB VAL 84 HB VAL 84 7.647 -1.854 -5.733 650 1HG1 VAL 84 1HG1 VAL 84 10.432 -1.991 -5.728 651 2HG1 VAL 84 2HG1 VAL 84 9.392 -1.323 -4.468 652 3HG1 VAL 84 3HG1 VAL 84 10.032 -0.272 -5.731 653 1HG2 VAL 84 1HG2 VAL 84 7.191 -0.557 -7.791 654 2HG2 VAL 84 2HG2 VAL 84 8.827 0.084 -7.691 655 3HG2 VAL 84 3HG2 VAL 84 7.659 0.440 -6.419 656 H ALA 85 H ALA 85 7.416 -3.867 -5.490 657 HA ALA 85 HA ALA 85 8.818 -6.337 -5.490 658 1HB ALA 85 1HB ALA 85 9.755 -4.213 -3.651 659 2HB ALA 85 2HB ALA 85 10.644 -5.532 -4.410 660 3HB ALA 85 3HB ALA 85 9.628 -5.849 -3.004 661 H LYS 86 H LYS 86 8.134 -7.771 -3.734 662 HA LYS 86 HA LYS 86 5.502 -6.992 -2.664 663 1HB LYS 86 1HB LYS 86 6.488 -9.641 -3.702 664 2HB LYS 86 2HB LYS 86 5.060 -9.508 -2.682 665 1HG LYS 86 1HG LYS 86 3.992 -8.085 -4.300 666 2HG LYS 86 2HG LYS 86 5.436 -8.108 -5.313 667 1HD LYS 86 1HD LYS 86 5.189 -10.535 -5.591 668 2HD LYS 86 2HD LYS 86 3.734 -10.496 -4.593 669 1HE LYS 86 1HE LYS 86 2.655 -9.028 -6.222 670 2HE LYS 86 2HE LYS 86 4.111 -9.053 -7.214 671 1HZ LYS 86 1HZ LYS 86 3.213 -11.688 -6.613 672 2HZ LYS 86 2HZ LYS 86 3.501 -10.971 -8.117 673 3HZ LYS 86 3HZ LYS 86 1.995 -10.790 -7.368 674 H VAL 87 H VAL 87 5.231 -7.064 -0.537 675 HA VAL 87 HA VAL 87 6.763 -8.889 1.076 676 HB VAL 87 HB VAL 87 7.054 -5.918 1.543 677 1HG1 VAL 87 1HG1 VAL 87 7.152 -6.807 3.665 678 2HG1 VAL 87 2HG1 VAL 87 8.846 -6.875 3.180 679 3HG1 VAL 87 3HG1 VAL 87 7.849 -8.329 3.111 680 1HG2 VAL 87 1HG2 VAL 87 9.468 -6.364 1.071 681 2HG2 VAL 87 2HG2 VAL 87 8.409 -6.533 -0.327 682 3HG2 VAL 87 3HG2 VAL 87 9.004 -7.969 0.507 683 H VAL 88 H VAL 88 4.608 -9.653 1.449 684 HA VAL 88 HA VAL 88 2.537 -8.098 2.532 685 HB VAL 88 HB VAL 88 2.069 -10.278 1.586 686 1HG1 VAL 88 1HG1 VAL 88 3.099 -12.203 2.146 687 2HG1 VAL 88 2HG1 VAL 88 3.118 -11.817 3.867 688 3HG1 VAL 88 3HG1 VAL 88 4.337 -11.129 2.794 689 1HG2 VAL 88 1HG2 VAL 88 1.485 -10.383 4.543 690 2HG2 VAL 88 2HG2 VAL 88 0.564 -11.131 3.239 691 3HG2 VAL 88 3HG2 VAL 88 0.609 -9.376 3.392 692 H GLY 89 H GLY 89 3.510 -6.769 4.136 693 1HA GLY 89 1HA GLY 89 3.104 -7.407 6.746 694 2HA GLY 89 2HA GLY 89 4.746 -7.959 6.453 695 H ALA 90 H ALA 90 2.841 -5.362 7.366 696 HA ALA 90 HA ALA 90 4.871 -3.369 6.635 697 1HB ALA 90 1HB ALA 90 3.260 -1.726 6.861 698 2HB ALA 90 2HB ALA 90 2.280 -2.691 7.965 699 3HB ALA 90 3HB ALA 90 2.319 -3.086 6.247 700 H ASN 91 H ASN 91 5.549 -5.242 8.622 701 HA ASN 91 HA ASN 91 5.181 -4.028 11.210 702 1HB ASN 91 1HB ASN 91 5.402 -6.471 10.978 703 2HB ASN 91 2HB ASN 91 7.029 -6.265 10.337 704 1HD2 ASN 91 1HD2 ASN 91 8.558 -6.640 11.751 705 2HD2 ASN 91 2HD2 ASN 91 8.466 -6.372 13.456 706 HA PRO 92 HA PRO 92 8.318 -0.886 10.985 707 1HB PRO 92 1HB PRO 92 8.791 -1.870 13.777 708 2HB PRO 92 2HB PRO 92 8.688 -0.208 13.176 709 1HG PRO 92 1HG PRO 92 6.611 -1.283 14.407 710 2HG PRO 92 2HG PRO 92 6.372 -0.299 12.950 711 1HD PRO 92 1HD PRO 92 6.217 -3.256 13.284 712 2HD PRO 92 2HD PRO 92 5.296 -2.190 12.203 713 H ALA 93 H ALA 93 9.638 -2.108 9.493 714 HA ALA 93 HA ALA 93 12.247 -2.521 10.288 715 1HB ALA 93 1HB ALA 93 11.758 -4.408 11.568 716 2HB ALA 93 2HB ALA 93 12.325 -5.076 10.037 717 3HB ALA 93 3HB ALA 93 10.598 -5.023 10.391 718 H ALA 94 H ALA 94 9.693 -3.642 8.117 719 HA ALA 94 HA ALA 94 11.638 -3.558 5.911 720 1HB ALA 94 1HB ALA 94 10.687 -5.364 4.936 721 2HB ALA 94 2HB ALA 94 9.064 -4.933 5.474 722 3HB ALA 94 3HB ALA 94 10.187 -5.705 6.593 723 H ILE 95 H ILE 95 8.270 -2.797 6.749 724 HA ILE 95 HA ILE 95 7.527 -1.525 4.408 725 HB ILE 95 HB ILE 95 5.918 -1.963 6.141 726 1HG1 ILE 95 1HG1 ILE 95 4.715 0.151 6.218 727 2HG1 ILE 95 2HG1 ILE 95 6.183 1.032 5.806 728 1HG2 ILE 95 1HG2 ILE 95 6.065 -0.158 8.119 729 2HG2 ILE 95 2HG2 ILE 95 7.782 -0.376 7.780 730 3HG2 ILE 95 3HG2 ILE 95 6.786 -1.766 8.212 731 1HD1 ILE 95 1HD1 ILE 95 4.310 -0.439 4.097 732 2HD1 ILE 95 2HD1 ILE 95 6.016 -0.676 3.719 733 3HD1 ILE 95 3HD1 ILE 95 5.336 0.949 3.735 734 H LYS 96 H LYS 96 9.927 -0.580 6.648 735 HA LYS 96 HA LYS 96 9.813 2.240 5.907 736 1HB LYS 96 1HB LYS 96 11.718 0.754 7.723 737 2HB LYS 96 2HB LYS 96 11.691 2.497 7.491 738 1HG LYS 96 1HG LYS 96 9.377 2.527 8.375 739 2HG LYS 96 2HG LYS 96 9.525 0.803 8.714 740 1HD LYS 96 1HD LYS 96 11.308 2.954 9.856 741 2HD LYS 96 2HD LYS 96 9.943 2.222 10.698 742 1HE LYS 96 1HE LYS 96 11.874 1.113 11.484 743 2HE LYS 96 2HE LYS 96 11.086 -0.002 10.371 744 1HZ LYS 96 1HZ LYS 96 12.869 -0.020 9.066 745 2HZ LYS 96 2HZ LYS 96 13.701 0.784 10.298 746 3HZ LYS 96 3HZ LYS 96 12.988 1.669 9.047 747 H GLN 97 H GLN 97 12.368 -0.243 5.981 748 HA GLN 97 HA GLN 97 14.137 1.082 4.277 749 1HB GLN 97 1HB GLN 97 13.829 -1.902 4.662 750 2HB GLN 97 2HB GLN 97 15.248 -1.083 4.022 751 1HG GLN 97 1HG GLN 97 15.617 0.007 6.151 752 2HG GLN 97 2HG GLN 97 14.149 -0.722 6.801 753 1HE2 GLN 97 1HE2 GLN 97 17.378 -0.944 6.846 754 2HE2 GLN 97 2HE2 GLN 97 17.572 -2.628 7.177 755 H ALA 98 H ALA 98 11.419 -1.019 3.600 756 HA ALA 98 HA ALA 98 11.951 -1.588 0.907 757 1HB ALA 98 1HB ALA 98 10.184 -2.624 2.405 758 2HB ALA 98 2HB ALA 98 9.709 -2.293 0.740 759 3HB ALA 98 3HB ALA 98 9.190 -1.215 2.036 760 H ILE 99 H ILE 99 10.654 1.241 2.470 761 HA ILE 99 HA ILE 99 9.842 2.451 -0.048 762 HB ILE 99 HB ILE 99 9.779 3.561 2.764 763 1HG1 ILE 99 1HG1 ILE 99 7.588 2.393 1.033 764 2HG1 ILE 99 2HG1 ILE 99 8.288 1.638 2.461 765 1HG2 ILE 99 1HG2 ILE 99 9.834 5.420 1.321 766 2HG2 ILE 99 2HG2 ILE 99 8.126 5.175 1.688 767 3HG2 ILE 99 3HG2 ILE 99 8.781 4.640 0.140 768 1HD1 ILE 99 1HD1 ILE 99 7.431 3.485 3.829 769 2HD1 ILE 99 2HD1 ILE 99 6.147 2.621 2.982 770 3HD1 ILE 99 3HD1 ILE 99 6.695 4.190 2.390 771 H ALA 100 H ALA 100 12.691 2.155 1.686 772 HA ALA 100 HA ALA 100 13.724 4.792 1.023 773 1HB ALA 100 1HB ALA 100 15.866 3.530 2.016 774 2HB ALA 100 2HB ALA 100 14.592 2.548 2.739 775 3HB ALA 100 3HB ALA 100 14.638 4.286 3.031 776 H ALA 101 H ALA 101 15.157 1.560 0.631 777 HA ALA 101 HA ALA 101 16.898 2.190 -1.415 778 1HB ALA 101 1HB ALA 101 17.344 0.136 -0.520 779 2HB ALA 101 2HB ALA 101 16.527 -0.353 -2.004 780 3HB ALA 101 3HB ALA 101 15.646 -0.338 -0.477 781 H ASN 102 H ASN 102 13.473 1.475 -1.588 782 HA ASN 102 HA ASN 102 13.456 1.164 -4.442 783 1HB ASN 102 1HB ASN 102 11.263 1.446 -2.382 784 2HB ASN 102 2HB ASN 102 10.976 1.172 -4.098 785 1HD2 ASN 102 1HD2 ASN 102 13.743 -0.473 -3.460 786 2HD2 ASN 102 2HD2 ASN 102 13.078 -2.015 -3.068 787 H ALA 103 H ALA 103 12.173 3.595 -2.168 788 HA ALA 103 HA ALA 103 11.523 5.431 -4.273 789 1HB ALA 103 1HB ALA 103 10.455 5.172 -1.912 790 2HB ALA 103 2HB ALA 103 10.594 6.771 -2.642 791 3HB ALA 103 3HB ALA 103 11.748 6.259 -1.411 Start of MODEL 18 1 1H MET 1 1H MET 1 0.745 12.994 3.150 2 2H MET 1 2H MET 1 1.022 11.399 2.580 3 3H MET 1 3H MET 1 0.898 11.699 4.264 4 HA MET 1 HA MET 1 -1.342 12.127 4.153 5 1HB MET 1 1HB MET 1 -1.185 13.560 2.148 6 2HB MET 1 2HB MET 1 -0.996 12.128 1.145 7 1HG MET 1 1HG MET 1 -3.256 12.958 1.015 8 2HG MET 1 2HG MET 1 -3.228 11.379 1.796 9 1HE MET 1 1HE MET 1 -5.640 13.014 1.767 10 2HE MET 1 2HE MET 1 -6.183 13.502 3.373 11 3HE MET 1 3HE MET 1 -5.814 11.808 3.043 12 H VAL 2 H VAL 2 -3.095 10.576 3.685 13 HA VAL 2 HA VAL 2 -2.268 8.016 2.574 14 HB VAL 2 HB VAL 2 -1.627 7.966 4.982 15 1HG1 VAL 2 1HG1 VAL 2 -3.488 7.733 6.639 16 2HG1 VAL 2 2HG1 VAL 2 -4.587 8.324 5.394 17 3HG1 VAL 2 3HG1 VAL 2 -3.281 9.355 5.979 18 1HG2 VAL 2 1HG2 VAL 2 -2.012 5.772 5.015 19 2HG2 VAL 2 2HG2 VAL 2 -2.830 6.025 3.472 20 3HG2 VAL 2 3HG2 VAL 2 -3.763 5.985 4.969 21 H THR 3 H THR 3 -3.946 6.932 1.624 22 HA THR 3 HA THR 3 -6.684 7.577 2.362 23 HB THR 3 HB THR 3 -5.634 8.051 -0.434 24 HG1 THR 3 HG1 THR 3 -5.444 10.025 0.193 25 1HG2 THR 3 1HG2 THR 3 -7.869 7.205 -0.605 26 2HG2 THR 3 2HG2 THR 3 -7.888 8.944 -0.894 27 3HG2 THR 3 3HG2 THR 3 -8.424 8.303 0.657 28 H GLN 4 H GLN 4 -8.242 6.124 1.574 29 HA GLN 4 HA GLN 4 -7.200 3.455 1.006 30 1HB GLN 4 1HB GLN 4 -10.078 4.291 1.399 31 2HB GLN 4 2HB GLN 4 -9.399 2.681 1.572 32 1HG GLN 4 1HG GLN 4 -8.500 4.917 3.344 33 2HG GLN 4 2HG GLN 4 -9.985 4.031 3.683 34 1HE2 GLN 4 1HE2 GLN 4 -9.682 2.571 5.186 35 2HE2 GLN 4 2HE2 GLN 4 -8.285 1.574 5.382 36 H PHE 5 H PHE 5 -8.202 2.139 -0.737 37 HA PHE 5 HA PHE 5 -9.106 3.833 -2.976 38 1HB PHE 5 1HB PHE 5 -7.396 1.348 -3.022 39 2HB PHE 5 2HB PHE 5 -8.184 1.996 -4.466 40 HD1 PHE 5 HD1 PHE 5 -7.755 4.963 -3.580 41 HD2 PHE 5 HD2 PHE 5 -5.188 1.578 -3.903 42 HE1 PHE 5 HE1 PHE 5 -5.845 6.458 -4.002 43 HE2 PHE 5 HE2 PHE 5 -3.277 3.071 -4.323 44 HZ PHE 5 HZ PHE 5 -3.605 5.508 -4.376 45 H LYS 6 H LYS 6 -11.277 3.634 -2.877 46 HA LYS 6 HA LYS 6 -12.510 1.034 -2.498 47 1HB LYS 6 1HB LYS 6 -13.588 3.826 -2.806 48 2HB LYS 6 2HB LYS 6 -14.648 2.425 -2.873 49 1HG LYS 6 1HG LYS 6 -12.840 3.096 -0.561 50 2HG LYS 6 2HG LYS 6 -14.559 3.485 -0.649 51 1HD LYS 6 1HD LYS 6 -15.096 1.107 -0.830 52 2HD LYS 6 2HD LYS 6 -13.379 0.706 -0.772 53 1HE LYS 6 1HE LYS 6 -14.431 0.379 1.403 54 2HE LYS 6 2HE LYS 6 -13.227 1.666 1.469 55 1HZ LYS 6 1HZ LYS 6 -16.112 2.209 1.077 56 2HZ LYS 6 2HZ LYS 6 -14.896 3.299 1.518 57 3HZ LYS 6 3HZ LYS 6 -15.407 2.117 2.614 58 H THR 7 H THR 7 -11.723 3.210 -5.090 59 HA THR 7 HA THR 7 -12.928 1.304 -6.982 60 HB THR 7 HB THR 7 -13.404 3.205 -8.496 61 HG1 THR 7 HG1 THR 7 -12.452 4.702 -6.298 62 1HG2 THR 7 1HG2 THR 7 -14.668 3.603 -5.796 63 2HG2 THR 7 2HG2 THR 7 -15.188 2.427 -7.003 64 3HG2 THR 7 3HG2 THR 7 -15.296 4.153 -7.348 65 H ALA 8 H ALA 8 -11.490 0.434 -8.320 66 HA ALA 8 HA ALA 8 -8.776 0.909 -8.243 67 1HB ALA 8 1HB ALA 8 -10.522 -0.356 -10.327 68 2HB ALA 8 2HB ALA 8 -9.425 -1.127 -9.181 69 3HB ALA 8 3HB ALA 8 -8.778 -0.224 -10.551 70 H SER 9 H SER 9 -11.211 2.650 -9.972 71 HA SER 9 HA SER 9 -9.646 3.835 -11.971 72 1HB SER 9 1HB SER 9 -12.039 4.967 -10.497 73 2HB SER 9 2HB SER 9 -11.381 5.600 -12.007 74 HG SER 9 HG SER 9 -12.711 3.163 -11.531 75 H GLU 10 H GLU 10 -9.637 4.258 -8.572 76 HA GLU 10 HA GLU 10 -8.432 6.881 -8.692 77 1HB GLU 10 1HB GLU 10 -9.099 5.105 -6.351 78 2HB GLU 10 2HB GLU 10 -8.405 6.714 -6.208 79 1HG GLU 10 1HG GLU 10 -10.378 7.670 -7.270 80 2HG GLU 10 2HG GLU 10 -11.072 6.058 -7.437 81 H PHE 11 H PHE 11 -7.579 3.599 -7.873 82 HA PHE 11 HA PHE 11 -4.904 4.213 -7.101 83 1HB PHE 11 1HB PHE 11 -6.218 2.228 -6.291 84 2HB PHE 11 2HB PHE 11 -6.030 1.525 -7.891 85 HD1 PHE 11 HD1 PHE 11 -5.112 -0.317 -6.269 86 HD2 PHE 11 HD2 PHE 11 -3.124 3.351 -7.114 87 HE1 PHE 11 HE1 PHE 11 -2.975 -1.312 -5.562 88 HE2 PHE 11 HE2 PHE 11 -0.988 2.358 -6.418 89 HZ PHE 11 HZ PHE 11 -0.914 0.028 -5.641 90 H ASP 12 H ASP 12 -6.511 3.302 -10.062 91 HA ASP 12 HA ASP 12 -4.384 2.390 -11.589 92 1HB ASP 12 1HB ASP 12 -6.717 2.319 -12.348 93 2HB ASP 12 2HB ASP 12 -6.731 4.074 -12.495 94 H SER 13 H SER 13 -5.530 5.739 -11.204 95 HA SER 13 HA SER 13 -3.459 6.852 -12.814 96 1HB SER 13 1HB SER 13 -5.277 8.175 -10.787 97 2HB SER 13 2HB SER 13 -4.260 9.025 -11.951 98 HG SER 13 HG SER 13 -5.457 7.923 -13.608 99 H ALA 14 H ALA 14 -3.722 5.968 -9.475 100 HA ALA 14 HA ALA 14 -1.812 7.619 -8.307 101 1HB ALA 14 1HB ALA 14 -3.284 5.307 -7.572 102 2HB ALA 14 2HB ALA 14 -2.454 6.461 -6.528 103 3HB ALA 14 3HB ALA 14 -1.596 5.043 -7.131 104 H ILE 15 H ILE 15 -1.230 4.220 -9.220 105 HA ILE 15 HA ILE 15 1.534 4.287 -9.038 106 HB ILE 15 HB ILE 15 1.565 2.305 -10.484 107 1HG1 ILE 15 1HG1 ILE 15 -1.372 2.935 -10.864 108 2HG1 ILE 15 2HG1 ILE 15 -0.131 2.905 -12.113 109 1HG2 ILE 15 1HG2 ILE 15 0.962 2.225 -8.057 110 2HG2 ILE 15 2HG2 ILE 15 0.356 0.875 -9.015 111 3HG2 ILE 15 3HG2 ILE 15 -0.732 2.180 -8.545 112 1HD1 ILE 15 1HD1 ILE 15 -0.950 0.501 -10.510 113 2HD1 ILE 15 2HD1 ILE 15 0.100 0.542 -11.926 114 3HD1 ILE 15 3HD1 ILE 15 -1.616 0.920 -12.088 115 H ALA 16 H ALA 16 -0.453 4.793 -11.946 116 HA ALA 16 HA ALA 16 1.460 5.036 -13.851 117 1HB ALA 16 1HB ALA 16 -0.584 5.282 -14.787 118 2HB ALA 16 2HB ALA 16 -0.150 6.989 -14.701 119 3HB ALA 16 3HB ALA 16 -1.191 6.280 -13.467 120 H GLN 17 H GLN 17 3.385 5.934 -13.413 121 HA GLN 17 HA GLN 17 4.968 7.482 -12.873 122 1HB GLN 17 1HB GLN 17 2.994 9.150 -14.431 123 2HB GLN 17 2HB GLN 17 4.640 9.649 -14.060 124 1HG GLN 17 1HG GLN 17 4.001 7.118 -15.533 125 2HG GLN 17 2HG GLN 17 4.253 8.663 -16.351 126 1HE2 GLN 17 1HE2 GLN 17 5.707 5.873 -15.579 127 2HE2 GLN 17 2HE2 GLN 17 7.354 6.387 -15.505 128 H ASP 18 H ASP 18 4.794 7.571 -10.618 129 HA ASP 18 HA ASP 18 4.141 10.114 -9.569 130 1HB ASP 18 1HB ASP 18 1.854 9.180 -9.759 131 2HB ASP 18 2HB ASP 18 2.332 7.849 -8.711 132 H LYS 19 H LYS 19 6.427 8.474 -9.560 133 HA LYS 19 HA LYS 19 8.102 7.850 -8.148 134 1HB LYS 19 1HB LYS 19 6.265 9.051 -6.090 135 2HB LYS 19 2HB LYS 19 7.935 8.610 -5.789 136 1HG LYS 19 1HG LYS 19 7.896 10.941 -6.128 137 2HG LYS 19 2HG LYS 19 8.588 10.226 -7.584 138 1HD LYS 19 1HD LYS 19 6.514 10.493 -8.769 139 2HD LYS 19 2HD LYS 19 5.694 11.026 -7.300 140 1HE LYS 19 1HE LYS 19 6.238 12.916 -8.741 141 2HE LYS 19 2HE LYS 19 7.126 13.003 -7.221 142 1HZ LYS 19 1HZ LYS 19 9.100 12.634 -8.245 143 2HZ LYS 19 2HZ LYS 19 8.293 13.361 -9.541 144 3HZ LYS 19 3HZ LYS 19 8.434 11.677 -9.471 145 H LEU 20 H LEU 20 7.790 6.887 -5.447 146 HA LEU 20 HA LEU 20 6.754 4.238 -6.088 147 1HB LEU 20 1HB LEU 20 9.024 4.307 -5.273 148 2HB LEU 20 2HB LEU 20 8.527 5.243 -3.863 149 HG LEU 20 HG LEU 20 7.172 3.271 -3.124 150 1HD1 LEU 20 1HD1 LEU 20 8.673 1.361 -4.711 151 2HD1 LEU 20 2HD1 LEU 20 7.601 2.362 -5.691 152 3HD1 LEU 20 3HD1 LEU 20 6.950 1.426 -4.345 153 1HD2 LEU 20 1HD2 LEU 20 10.152 3.125 -3.419 154 2HD2 LEU 20 2HD2 LEU 20 9.251 1.881 -2.555 155 3HD2 LEU 20 3HD2 LEU 20 9.197 3.554 -2.001 156 H VAL 21 H VAL 21 4.769 3.777 -5.489 157 HA VAL 21 HA VAL 21 3.620 5.116 -3.142 158 HB VAL 21 HB VAL 21 2.188 3.670 -5.377 159 1HG1 VAL 21 1HG1 VAL 21 1.008 5.497 -3.300 160 2HG1 VAL 21 2HG1 VAL 21 1.064 3.744 -3.121 161 3HG1 VAL 21 3HG1 VAL 21 0.159 4.466 -4.452 162 1HG2 VAL 21 1HG2 VAL 21 1.437 6.246 -5.624 163 2HG2 VAL 21 2HG2 VAL 21 2.772 5.523 -6.523 164 3HG2 VAL 21 3HG2 VAL 21 3.096 6.455 -5.061 165 H VAL 22 H VAL 22 3.167 3.986 -1.367 166 HA VAL 22 HA VAL 22 3.495 1.073 -1.449 167 HB VAL 22 HB VAL 22 3.367 2.886 0.965 168 1HG1 VAL 22 1HG1 VAL 22 2.830 0.808 1.794 169 2HG1 VAL 22 2HG1 VAL 22 4.588 0.784 1.928 170 3HG1 VAL 22 3HG1 VAL 22 3.794 -0.043 0.586 171 1HG2 VAL 22 1HG2 VAL 22 5.607 3.182 0.899 172 2HG2 VAL 22 2HG2 VAL 22 5.364 2.929 -0.830 173 3HG2 VAL 22 3HG2 VAL 22 5.905 1.594 0.190 174 H VAL 23 H VAL 23 1.529 0.309 -2.109 175 HA VAL 23 HA VAL 23 -0.849 1.217 -0.665 176 HB VAL 23 HB VAL 23 -0.707 -0.507 -3.139 177 1HG1 VAL 23 1HG1 VAL 23 -3.057 0.991 -1.998 178 2HG1 VAL 23 2HG1 VAL 23 -2.751 -0.721 -1.708 179 3HG1 VAL 23 3HG1 VAL 23 -3.055 -0.145 -3.348 180 1HG2 VAL 23 1HG2 VAL 23 -1.775 1.888 -3.901 181 2HG2 VAL 23 2HG2 VAL 23 -0.096 1.404 -4.139 182 3HG2 VAL 23 3HG2 VAL 23 -0.542 2.388 -2.746 183 H ASP 24 H ASP 24 -1.851 -0.006 0.777 184 HA ASP 24 HA ASP 24 -0.892 -2.739 1.216 185 1HB ASP 24 1HB ASP 24 -0.755 -1.276 3.152 186 2HB ASP 24 2HB ASP 24 -2.463 -0.847 2.990 187 H PHE 25 H PHE 25 -2.160 -4.463 0.824 188 HA PHE 25 HA PHE 25 -4.879 -3.981 -0.107 189 1HB PHE 25 1HB PHE 25 -2.916 -6.248 -0.418 190 2HB PHE 25 2HB PHE 25 -4.607 -6.399 -0.889 191 HD1 PHE 25 HD1 PHE 25 -2.053 -3.698 -1.342 192 HD2 PHE 25 HD2 PHE 25 -4.813 -6.385 -3.144 193 HE1 PHE 25 HE1 PHE 25 -1.487 -2.783 -3.552 194 HE2 PHE 25 HE2 PHE 25 -4.270 -5.462 -5.350 195 HZ PHE 25 HZ PHE 25 -2.611 -3.656 -5.563 196 H TYR 26 H TYR 26 -4.778 -3.696 2.554 197 HA TYR 26 HA TYR 26 -4.977 -5.895 4.201 198 1HB TYR 26 1HB TYR 26 -6.585 -4.424 5.551 199 2HB TYR 26 2HB TYR 26 -4.974 -3.784 5.245 200 HD1 TYR 26 HD1 TYR 26 -8.275 -3.795 3.467 201 HD2 TYR 26 HD2 TYR 26 -4.919 -1.523 4.760 202 HE1 TYR 26 HE1 TYR 26 -9.257 -1.783 2.476 203 HE2 TYR 26 HE2 TYR 26 -5.906 0.497 3.805 204 HH TYR 26 HH TYR 26 -8.130 0.564 1.570 205 H ALA 27 H ALA 27 -6.498 -7.410 4.658 206 HA ALA 27 HA ALA 27 -8.416 -8.043 2.710 207 1HB ALA 27 1HB ALA 27 -7.842 -9.918 3.848 208 2HB ALA 27 2HB ALA 27 -9.297 -9.505 4.754 209 3HB ALA 27 3HB ALA 27 -7.711 -9.074 5.390 210 H THR 28 H THR 28 -10.687 -8.009 2.774 211 HA THR 28 HA THR 28 -11.761 -5.646 3.995 212 HB THR 28 HB THR 28 -12.488 -6.206 1.777 213 HG1 THR 28 HG1 THR 28 -14.775 -6.307 2.159 214 1HG2 THR 28 1HG2 THR 28 -13.465 -8.797 2.945 215 2HG2 THR 28 2HG2 THR 28 -12.247 -8.576 1.689 216 3HG2 THR 28 3HG2 THR 28 -13.934 -8.180 1.360 217 H TRP 29 H TRP 29 -11.654 -9.002 4.771 218 HA TRP 29 HA TRP 29 -13.774 -8.691 6.775 219 1HB TRP 29 1HB TRP 29 -13.478 -11.249 6.950 220 2HB TRP 29 2HB TRP 29 -14.249 -10.595 5.497 221 HD1 TRP 29 HD1 TRP 29 -12.816 -10.666 3.214 222 HE1 TRP 29 HE1 TRP 29 -10.819 -12.124 2.503 223 HE3 TRP 29 HE3 TRP 29 -11.396 -12.384 7.810 224 HZ2 TRP 29 HZ2 TRP 29 -8.887 -13.771 3.730 225 HZ3 TRP 29 HZ3 TRP 29 -9.458 -13.883 7.960 226 HH2 TRP 29 HH2 TRP 29 -8.226 -14.564 5.961 227 H CYS 30 H CYS 30 -10.360 -9.495 6.414 228 HA CYS 30 HA CYS 30 -9.606 -10.550 8.776 229 1HB CYS 30 1HB CYS 30 -7.987 -9.954 7.060 230 2HB CYS 30 2HB CYS 30 -8.246 -8.239 7.368 231 HG CYS 30 HG CYS 30 -7.120 -9.869 9.722 232 H GLY 31 H GLY 31 -8.818 -9.697 10.809 233 1HA GLY 31 1HA GLY 31 -10.584 -7.627 11.829 234 2HA GLY 31 2HA GLY 31 -9.529 -8.658 12.779 235 HA PRO 32 HA PRO 32 -6.785 -5.250 13.306 236 1HB PRO 32 1HB PRO 32 -4.495 -7.093 13.170 237 2HB PRO 32 2HB PRO 32 -5.068 -6.114 14.521 238 1HG PRO 32 1HG PRO 32 -5.341 -8.785 14.497 239 2HG PRO 32 2HG PRO 32 -6.560 -7.725 15.230 240 1HD PRO 32 1HD PRO 32 -6.594 -9.091 12.564 241 2HD PRO 32 2HD PRO 32 -7.905 -8.897 13.746 242 H CYS 33 H CYS 33 -7.483 -5.058 10.796 243 HA CYS 33 HA CYS 33 -4.941 -4.801 9.328 244 1HB CYS 33 1HB CYS 33 -6.073 -5.390 7.247 245 2HB CYS 33 2HB CYS 33 -6.218 -6.700 8.427 246 HG CYS 33 HG CYS 33 -8.718 -5.854 8.821 247 H LYS 34 H LYS 34 -7.549 -3.186 10.649 248 HA LYS 34 HA LYS 34 -7.608 -1.106 8.587 249 1HB LYS 34 1HB LYS 34 -9.318 -1.435 11.059 250 2HB LYS 34 2HB LYS 34 -9.502 -0.163 9.861 251 1HG LYS 34 1HG LYS 34 -11.142 -1.688 9.286 252 2HG LYS 34 2HG LYS 34 -9.824 -2.080 8.181 253 1HD LYS 34 1HD LYS 34 -9.134 -3.902 9.674 254 2HD LYS 34 2HD LYS 34 -10.468 -3.513 10.758 255 1HE LYS 34 1HE LYS 34 -10.709 -4.416 7.890 256 2HE LYS 34 2HE LYS 34 -11.029 -5.399 9.318 257 1HZ LYS 34 1HZ LYS 34 -13.124 -4.712 8.876 258 2HZ LYS 34 2HZ LYS 34 -12.636 -3.278 8.124 259 3HZ LYS 34 3HZ LYS 34 -12.648 -3.384 9.812 260 H MET 35 H MET 35 -6.408 -1.742 11.772 261 HA MET 35 HA MET 35 -6.058 0.947 12.616 262 1HB MET 35 1HB MET 35 -4.538 -1.526 13.458 263 2HB MET 35 2HB MET 35 -4.579 0.006 14.320 264 1HG MET 35 1HG MET 35 -6.948 -1.780 13.819 265 2HG MET 35 2HG MET 35 -6.039 -1.675 15.323 266 1HE MET 35 1HE MET 35 -8.707 -1.684 15.531 267 2HE MET 35 2HE MET 35 -9.679 -0.213 15.564 268 3HE MET 35 3HE MET 35 -8.582 -0.575 16.896 269 H ILE 36 H ILE 36 -4.703 -0.562 10.058 270 HA ILE 36 HA ILE 36 -1.988 0.359 10.319 271 HB ILE 36 HB ILE 36 -3.468 -0.809 7.965 272 1HG1 ILE 36 1HG1 ILE 36 -1.532 -2.056 9.925 273 2HG1 ILE 36 2HG1 ILE 36 -3.267 -2.350 9.862 274 1HG2 ILE 36 1HG2 ILE 36 -0.783 -1.276 7.598 275 2HG2 ILE 36 2HG2 ILE 36 -0.832 0.377 8.214 276 3HG2 ILE 36 3HG2 ILE 36 -1.753 -0.056 6.772 277 1HD1 ILE 36 1HD1 ILE 36 -3.009 -3.908 8.318 278 2HD1 ILE 36 2HD1 ILE 36 -1.268 -3.774 8.570 279 3HD1 ILE 36 3HD1 ILE 36 -2.051 -2.831 7.302 280 H ALA 37 H ALA 37 -4.958 1.532 8.921 281 HA ALA 37 HA ALA 37 -4.124 3.282 6.987 282 1HB ALA 37 1HB ALA 37 -6.466 2.915 8.547 283 2HB ALA 37 2HB ALA 37 -6.294 3.736 6.996 284 3HB ALA 37 3HB ALA 37 -6.108 4.641 8.499 285 HA PRO 38 HA PRO 38 -3.131 6.655 10.269 286 1HB PRO 38 1HB PRO 38 -2.629 5.829 12.814 287 2HB PRO 38 2HB PRO 38 -4.231 6.339 12.261 288 1HG PRO 38 1HG PRO 38 -3.161 3.600 12.709 289 2HG PRO 38 2HG PRO 38 -4.797 4.226 12.965 290 1HD PRO 38 1HD PRO 38 -4.010 2.712 10.805 291 2HD PRO 38 2HD PRO 38 -5.416 3.778 10.812 292 H MET 39 H MET 39 -1.746 3.460 10.815 293 HA MET 39 HA MET 39 0.892 4.279 11.397 294 1HB MET 39 1HB MET 39 0.171 2.027 11.896 295 2HB MET 39 2HB MET 39 -0.229 1.729 10.212 296 1HG MET 39 1HG MET 39 2.575 2.340 11.067 297 2HG MET 39 2HG MET 39 1.914 0.710 11.159 298 1HE MET 39 1HE MET 39 4.173 0.611 10.026 299 2HE MET 39 2HE MET 39 4.503 0.990 8.335 300 3HE MET 39 3HE MET 39 3.651 -0.495 8.755 301 H ILE 40 H ILE 40 -0.641 3.202 8.378 302 HA ILE 40 HA ILE 40 1.482 3.498 6.633 303 HB ILE 40 HB ILE 40 -1.472 3.991 6.171 304 1HG1 ILE 40 1HG1 ILE 40 0.317 1.620 5.604 305 2HG1 ILE 40 2HG1 ILE 40 -0.925 1.726 6.845 306 1HG2 ILE 40 1HG2 ILE 40 -0.989 3.731 3.769 307 2HG2 ILE 40 2HG2 ILE 40 0.737 3.706 4.128 308 3HG2 ILE 40 3HG2 ILE 40 -0.209 5.158 4.450 309 1HD1 ILE 40 1HD1 ILE 40 -1.443 1.890 3.889 310 2HD1 ILE 40 2HD1 ILE 40 -2.654 1.837 5.170 311 3HD1 ILE 40 3HD1 ILE 40 -1.628 0.435 4.868 312 H GLU 41 H GLU 41 -0.510 5.927 8.134 313 HA GLU 41 HA GLU 41 0.300 8.071 6.410 314 1HB GLU 41 1HB GLU 41 -1.836 8.129 7.613 315 2HB GLU 41 2HB GLU 41 -0.980 8.114 9.149 316 1HG GLU 41 1HG GLU 41 0.023 10.280 8.602 317 2HG GLU 41 2HG GLU 41 -0.853 10.293 7.070 318 H LYS 42 H LYS 42 1.261 6.837 9.571 319 HA LYS 42 HA LYS 42 2.979 8.854 10.379 320 1HB LYS 42 1HB LYS 42 3.171 5.872 10.832 321 2HB LYS 42 2HB LYS 42 4.091 7.079 11.722 322 1HG LYS 42 1HG LYS 42 1.097 7.020 11.639 323 2HG LYS 42 2HG LYS 42 2.061 6.209 12.872 324 1HD LYS 42 1HD LYS 42 3.169 8.491 13.232 325 2HD LYS 42 2HD LYS 42 1.811 9.145 12.311 326 1HE LYS 42 1HE LYS 42 1.586 7.461 14.789 327 2HE LYS 42 2HE LYS 42 1.436 9.217 14.743 328 1HZ LYS 42 1HZ LYS 42 -0.743 8.625 14.603 329 2HZ LYS 42 2HZ LYS 42 -0.430 7.165 13.810 330 3HZ LYS 42 3HZ LYS 42 -0.373 8.621 12.951 331 H PHE 43 H PHE 43 3.394 6.483 7.881 332 HA PHE 43 HA PHE 43 6.260 6.932 7.739 333 1HB PHE 43 1HB PHE 43 4.427 5.149 6.132 334 2HB PHE 43 2HB PHE 43 6.162 5.291 5.846 335 HD1 PHE 43 HD1 PHE 43 3.866 4.754 8.732 336 HD2 PHE 43 HD2 PHE 43 7.468 3.650 6.759 337 HE1 PHE 43 HE1 PHE 43 4.290 3.056 10.463 338 HE2 PHE 43 HE2 PHE 43 7.897 1.946 8.482 339 HZ PHE 43 HZ PHE 43 6.307 1.647 10.338 340 H SER 44 H SER 44 3.383 8.089 6.245 341 HA SER 44 HA SER 44 4.566 8.974 3.812 342 1HB SER 44 1HB SER 44 2.524 10.326 3.541 343 2HB SER 44 2HB SER 44 2.138 8.666 4.022 344 HG SER 44 HG SER 44 0.933 9.976 5.316 345 H GLU 45 H GLU 45 4.998 10.012 6.967 346 HA GLU 45 HA GLU 45 5.403 12.813 6.296 347 1HB GLU 45 1HB GLU 45 4.373 12.273 8.444 348 2HB GLU 45 2HB GLU 45 5.777 11.316 8.897 349 1HG GLU 45 1HG GLU 45 5.817 13.472 9.993 350 2HG GLU 45 2HG GLU 45 7.162 13.326 8.863 351 H GLN 46 H GLN 46 7.239 9.900 6.712 352 HA GLN 46 HA GLN 46 9.766 11.331 6.883 353 1HB GLN 46 1HB GLN 46 9.167 8.371 6.819 354 2HB GLN 46 2HB GLN 46 10.765 9.072 7.040 355 1HG GLN 46 1HG GLN 46 10.011 10.148 9.092 356 2HG GLN 46 2HG GLN 46 8.412 9.443 8.874 357 1HE2 GLN 46 1HE2 GLN 46 8.064 7.747 10.092 358 2HE2 GLN 46 2HE2 GLN 46 9.254 6.577 10.596 359 H TYR 47 H TYR 47 7.848 9.602 4.533 360 HA TYR 47 HA TYR 47 9.945 10.136 2.529 361 1HB TYR 47 1HB TYR 47 7.995 7.827 2.590 362 2HB TYR 47 2HB TYR 47 9.148 8.151 1.299 363 HD1 TYR 47 HD1 TYR 47 11.654 8.240 1.998 364 HD2 TYR 47 HD2 TYR 47 8.596 6.456 4.352 365 HE1 TYR 47 HE1 TYR 47 13.353 6.925 3.194 366 HE2 TYR 47 HE2 TYR 47 10.286 5.124 5.551 367 HH TYR 47 HH TYR 47 13.642 5.752 5.284 368 HA PRO 48 HA PRO 48 5.635 12.368 1.934 369 1HB PRO 48 1HB PRO 48 7.778 14.356 1.303 370 2HB PRO 48 2HB PRO 48 6.175 14.622 1.996 371 1HG PRO 48 1HG PRO 48 8.387 14.564 3.522 372 2HG PRO 48 2HG PRO 48 6.825 13.964 4.103 373 1HD PRO 48 1HD PRO 48 9.259 12.464 3.410 374 2HD PRO 48 2HD PRO 48 7.859 11.962 4.380 375 H GLN 49 H GLN 49 8.642 12.073 0.162 376 HA GLN 49 HA GLN 49 7.753 12.878 -2.366 377 1HB GLN 49 1HB GLN 49 9.850 10.808 -1.682 378 2HB GLN 49 2HB GLN 49 9.641 11.558 -3.258 379 1HG GLN 49 1HG GLN 49 10.163 13.738 -2.292 380 2HG GLN 49 2HG GLN 49 10.367 12.988 -0.710 381 1HE2 GLN 49 1HE2 GLN 49 12.395 12.688 -0.175 382 2HE2 GLN 49 2HE2 GLN 49 13.701 12.344 -1.253 383 H ALA 50 H ALA 50 7.650 9.741 -0.759 384 HA ALA 50 HA ALA 50 6.333 8.512 -3.046 385 1HB ALA 50 1HB ALA 50 7.678 6.897 -2.206 386 2HB ALA 50 2HB ALA 50 6.279 6.584 -1.181 387 3HB ALA 50 3HB ALA 50 7.623 7.548 -0.568 388 H ASP 51 H ASP 51 4.213 7.865 -3.097 389 HA ASP 51 HA ASP 51 2.462 9.141 -1.154 390 1HB ASP 51 1HB ASP 51 1.827 7.678 -3.727 391 2HB ASP 51 2HB ASP 51 0.653 8.528 -2.727 392 H PHE 52 H PHE 52 1.524 8.101 0.475 393 HA PHE 52 HA PHE 52 1.693 5.179 0.535 394 1HB PHE 52 1HB PHE 52 1.215 7.195 2.739 395 2HB PHE 52 2HB PHE 52 1.190 5.441 2.972 396 HD1 PHE 52 HD1 PHE 52 3.424 7.987 1.389 397 HD2 PHE 52 HD2 PHE 52 3.090 4.529 3.843 398 HE1 PHE 52 HE1 PHE 52 5.861 7.997 1.728 399 HE2 PHE 52 HE2 PHE 52 5.524 4.531 4.188 400 HZ PHE 52 HZ PHE 52 6.913 6.269 3.133 401 H TYR 53 H TYR 53 -0.053 4.548 -0.668 402 HA TYR 53 HA TYR 53 -2.702 5.455 0.230 403 1HB TYR 53 1HB TYR 53 -1.712 4.331 -2.380 404 2HB TYR 53 2HB TYR 53 -3.424 4.333 -1.976 405 HD1 TYR 53 HD1 TYR 53 -4.382 6.665 -1.220 406 HD2 TYR 53 HD2 TYR 53 -0.838 6.149 -3.514 407 HE1 TYR 53 HE1 TYR 53 -4.593 8.967 -2.052 408 HE2 TYR 53 HE2 TYR 53 -1.033 8.453 -4.348 409 HH TYR 53 HH TYR 53 -2.257 10.687 -3.318 410 H LYS 54 H LYS 54 -4.395 3.603 -0.340 411 HA LYS 54 HA LYS 54 -3.375 1.028 0.598 412 1HB LYS 54 1HB LYS 54 -5.722 2.478 1.823 413 2HB LYS 54 2HB LYS 54 -5.306 0.802 2.143 414 1HG LYS 54 1HG LYS 54 -4.391 1.889 3.949 415 2HG LYS 54 2HG LYS 54 -3.018 1.748 2.854 416 1HD LYS 54 1HD LYS 54 -3.026 3.960 3.770 417 2HD LYS 54 2HD LYS 54 -3.487 4.071 2.077 418 1HE LYS 54 1HE LYS 54 -4.903 5.508 3.392 419 2HE LYS 54 2HE LYS 54 -5.852 4.171 2.749 420 1HZ LYS 54 1HZ LYS 54 -6.400 4.576 5.051 421 2HZ LYS 54 2HZ LYS 54 -4.785 4.378 5.511 422 3HZ LYS 54 3HZ LYS 54 -5.655 3.064 4.900 423 H LEU 55 H LEU 55 -4.734 -0.768 0.117 424 HA LEU 55 HA LEU 55 -6.569 -0.235 -2.121 425 1HB LEU 55 1HB LEU 55 -4.445 -1.501 -2.594 426 2HB LEU 55 2HB LEU 55 -5.050 -2.777 -1.562 427 HG LEU 55 HG LEU 55 -5.357 -3.216 -3.988 428 1HD1 LEU 55 1HD1 LEU 55 -7.191 -4.427 -3.568 429 2HD1 LEU 55 2HD1 LEU 55 -8.131 -3.019 -3.068 430 3HD1 LEU 55 3HD1 LEU 55 -7.030 -3.793 -1.930 431 1HD2 LEU 55 1HD2 LEU 55 -5.982 -0.654 -4.277 432 2HD2 LEU 55 2HD2 LEU 55 -7.613 -1.295 -4.075 433 3HD2 LEU 55 3HD2 LEU 55 -6.584 -1.895 -5.374 434 H ASP 56 H ASP 56 -8.633 -0.547 -1.697 435 HA ASP 56 HA ASP 56 -9.496 -1.891 0.662 436 1HB ASP 56 1HB ASP 56 -11.102 -0.768 -1.637 437 2HB ASP 56 2HB ASP 56 -11.707 -1.187 -0.041 438 H VAL 57 H VAL 57 -9.463 -4.044 0.732 439 HA VAL 57 HA VAL 57 -9.794 -5.684 -1.595 440 HB VAL 57 HB VAL 57 -9.673 -6.410 1.344 441 1HG1 VAL 57 1HG1 VAL 57 -9.063 -8.708 0.320 442 2HG1 VAL 57 2HG1 VAL 57 -9.883 -8.110 -1.123 443 3HG1 VAL 57 3HG1 VAL 57 -10.764 -8.243 0.398 444 1HG2 VAL 57 1HG2 VAL 57 -7.395 -7.072 0.872 445 2HG2 VAL 57 2HG2 VAL 57 -7.631 -5.395 0.385 446 3HG2 VAL 57 3HG2 VAL 57 -7.594 -6.669 -0.834 447 H ASP 58 H ASP 58 -11.982 -4.018 0.267 448 HA ASP 58 HA ASP 58 -14.081 -5.987 0.345 449 1HB ASP 58 1HB ASP 58 -13.921 -4.204 2.049 450 2HB ASP 58 2HB ASP 58 -14.191 -2.996 0.800 451 H GLU 59 H GLU 59 -13.394 -3.050 -1.527 452 HA GLU 59 HA GLU 59 -15.596 -3.703 -3.338 453 1HB GLU 59 1HB GLU 59 -15.442 -1.394 -2.473 454 2HB GLU 59 2HB GLU 59 -13.855 -1.235 -3.211 455 1HG GLU 59 1HG GLU 59 -15.558 -0.152 -4.554 456 2HG GLU 59 2HG GLU 59 -14.835 -1.506 -5.421 457 H LEU 60 H LEU 60 -12.138 -3.708 -3.156 458 HA LEU 60 HA LEU 60 -11.991 -4.343 -6.029 459 1HB LEU 60 1HB LEU 60 -9.823 -3.298 -4.206 460 2HB LEU 60 2HB LEU 60 -9.611 -3.708 -5.898 461 HG LEU 60 HG LEU 60 -11.253 -1.929 -6.486 462 1HD1 LEU 60 1HD1 LEU 60 -11.438 -1.791 -3.564 463 2HD1 LEU 60 2HD1 LEU 60 -12.602 -1.323 -4.803 464 3HD1 LEU 60 3HD1 LEU 60 -11.286 -0.232 -4.373 465 1HD2 LEU 60 1HD2 LEU 60 -9.603 -0.402 -6.633 466 2HD2 LEU 60 2HD2 LEU 60 -8.607 -1.721 -6.016 467 3HD2 LEU 60 3HD2 LEU 60 -9.223 -0.489 -4.913 468 H GLY 61 H GLY 61 -12.826 -6.417 -4.613 469 1HA GLY 61 1HA GLY 61 -10.855 -8.009 -3.374 470 2HA GLY 61 2HA GLY 61 -12.370 -8.594 -4.041 471 H ASP 62 H ASP 62 -11.333 -7.254 -6.667 472 HA ASP 62 HA ASP 62 -10.183 -9.676 -7.706 473 1HB ASP 62 1HB ASP 62 -10.795 -7.076 -9.048 474 2HB ASP 62 2HB ASP 62 -10.301 -8.540 -9.878 475 H VAL 63 H VAL 63 -9.053 -6.553 -6.713 476 HA VAL 63 HA VAL 63 -6.544 -6.732 -8.110 477 HB VAL 63 HB VAL 63 -7.178 -4.898 -5.797 478 1HG1 VAL 63 1HG1 VAL 63 -5.241 -3.889 -6.248 479 2HG1 VAL 63 2HG1 VAL 63 -5.570 -3.864 -7.980 480 3HG1 VAL 63 3HG1 VAL 63 -4.852 -5.295 -7.240 481 1HG2 VAL 63 1HG2 VAL 63 -7.743 -4.428 -8.723 482 2HG2 VAL 63 2HG2 VAL 63 -7.978 -3.268 -7.415 483 3HG2 VAL 63 3HG2 VAL 63 -8.956 -4.733 -7.481 484 H ALA 64 H ALA 64 -7.793 -7.836 -5.088 485 HA ALA 64 HA ALA 64 -5.206 -8.185 -3.814 486 1HB ALA 64 1HB ALA 64 -7.818 -9.452 -3.000 487 2HB ALA 64 2HB ALA 64 -7.392 -7.791 -2.588 488 3HB ALA 64 3HB ALA 64 -6.402 -9.126 -1.999 489 H GLN 65 H GLN 65 -7.332 -9.924 -5.917 490 HA GLN 65 HA GLN 65 -6.003 -12.470 -5.475 491 1HB GLN 65 1HB GLN 65 -8.424 -12.470 -5.799 492 2HB GLN 65 2HB GLN 65 -8.232 -11.686 -7.361 493 1HG GLN 65 1HG GLN 65 -7.031 -13.652 -8.192 494 2HG GLN 65 2HG GLN 65 -7.256 -14.437 -6.631 495 1HE2 GLN 65 1HE2 GLN 65 -8.822 -15.865 -6.637 496 2HE2 GLN 65 2HE2 GLN 65 -10.281 -15.785 -7.558 497 H LYS 66 H LYS 66 -6.101 -9.850 -7.808 498 HA LYS 66 HA LYS 66 -4.867 -11.136 -9.970 499 1HB LYS 66 1HB LYS 66 -4.443 -8.988 -10.867 500 2HB LYS 66 2HB LYS 66 -5.937 -8.824 -9.955 501 1HG LYS 66 1HG LYS 66 -4.670 -7.853 -8.097 502 2HG LYS 66 2HG LYS 66 -3.197 -7.962 -9.054 503 1HD LYS 66 1HD LYS 66 -5.653 -6.396 -9.843 504 2HD LYS 66 2HD LYS 66 -4.226 -5.703 -9.075 505 1HE LYS 66 1HE LYS 66 -3.990 -5.288 -11.385 506 2HE LYS 66 2HE LYS 66 -2.893 -6.616 -11.016 507 1HZ LYS 66 1HZ LYS 66 -5.480 -7.552 -11.778 508 2HZ LYS 66 2HZ LYS 66 -3.964 -7.940 -12.420 509 3HZ LYS 66 3HZ LYS 66 -4.794 -6.577 -12.979 510 H ASN 67 H ASN 67 -3.460 -9.312 -7.270 511 HA ASN 67 HA ASN 67 -0.773 -10.004 -8.059 512 1HB ASN 67 1HB ASN 67 -1.911 -8.447 -5.729 513 2HB ASN 67 2HB ASN 67 -0.189 -8.684 -6.023 514 1HD2 ASN 67 1HD2 ASN 67 -2.625 -6.570 -6.366 515 2HD2 ASN 67 2HD2 ASN 67 -2.044 -5.651 -7.729 516 H GLU 68 H GLU 68 -3.176 -11.647 -6.554 517 HA GLU 68 HA GLU 68 -3.275 -13.495 -5.246 518 1HB GLU 68 1HB GLU 68 -0.286 -13.554 -5.696 519 2HB GLU 68 2HB GLU 68 -1.246 -14.879 -5.052 520 1HG GLU 68 1HG GLU 68 -1.574 -13.669 -7.786 521 2HG GLU 68 2HG GLU 68 -0.705 -15.162 -7.429 522 H VAL 69 H VAL 69 -3.212 -11.028 -3.924 523 HA VAL 69 HA VAL 69 -1.532 -11.562 -1.565 524 HB VAL 69 HB VAL 69 -2.962 -9.007 -2.317 525 1HG1 VAL 69 1HG1 VAL 69 -1.049 -9.704 -0.094 526 2HG1 VAL 69 2HG1 VAL 69 -2.695 -9.083 0.039 527 3HG1 VAL 69 3HG1 VAL 69 -1.411 -8.047 -0.581 528 1HG2 VAL 69 1HG2 VAL 69 -0.911 -9.923 -3.705 529 2HG2 VAL 69 2HG2 VAL 69 0.002 -9.269 -2.346 530 3HG2 VAL 69 3HG2 VAL 69 -1.050 -8.214 -3.289 531 H SER 70 H SER 70 -2.529 -12.530 0.080 532 HA SER 70 HA SER 70 -5.164 -11.621 0.890 533 1HB SER 70 1HB SER 70 -6.122 -13.877 0.973 534 2HB SER 70 2HB SER 70 -5.660 -13.445 -0.682 535 HG SER 70 HG SER 70 -3.622 -14.594 -0.146 536 H ALA 71 H ALA 71 -2.254 -11.841 1.883 537 HA ALA 71 HA ALA 71 -2.331 -13.592 4.129 538 1HB ALA 71 1HB ALA 71 -0.459 -11.612 4.701 539 2HB ALA 71 2HB ALA 71 -0.443 -11.762 2.943 540 3HB ALA 71 3HB ALA 71 -0.154 -13.179 3.951 541 H MET 72 H MET 72 -3.692 -10.557 3.485 542 HA MET 72 HA MET 72 -4.675 -8.928 4.732 543 1HB MET 72 1HB MET 72 -6.232 -9.821 6.440 544 2HB MET 72 2HB MET 72 -6.334 -10.645 4.891 545 1HG MET 72 1HG MET 72 -5.319 -12.572 5.710 546 2HG MET 72 2HG MET 72 -4.648 -11.740 7.109 547 1HE MET 72 1HE MET 72 -5.348 -13.762 8.486 548 2HE MET 72 2HE MET 72 -6.339 -14.623 7.309 549 3HE MET 72 3HE MET 72 -7.006 -14.208 8.887 550 HA PRO 73 HA PRO 73 -3.762 -7.316 4.741 551 1HB PRO 73 1HB PRO 73 -2.269 -5.242 5.321 552 2HB PRO 73 2HB PRO 73 -3.678 -5.589 6.347 553 1HG PRO 73 1HG PRO 73 -0.791 -6.253 6.818 554 2HG PRO 73 2HG PRO 73 -1.955 -5.522 7.932 555 1HD PRO 73 1HD PRO 73 -1.338 -8.218 7.858 556 2HD PRO 73 2HD PRO 73 -2.843 -7.535 8.521 557 H THR 74 H THR 74 -1.654 -5.761 3.716 558 HA THR 74 HA THR 74 0.754 -7.275 3.428 559 HB THR 74 HB THR 74 -1.147 -7.173 1.082 560 HG1 THR 74 HG1 THR 74 -0.220 -9.615 1.708 561 1HG2 THR 74 1HG2 THR 74 1.030 -6.912 0.186 562 2HG2 THR 74 2HG2 THR 74 0.581 -8.602 -0.038 563 3HG2 THR 74 3HG2 THR 74 1.689 -8.150 1.254 564 H LEU 75 H LEU 75 2.275 -6.232 1.874 565 HA LEU 75 HA LEU 75 1.596 -3.398 1.432 566 1HB LEU 75 1HB LEU 75 4.279 -4.518 2.240 567 2HB LEU 75 2HB LEU 75 3.955 -2.842 1.857 568 HG LEU 75 HG LEU 75 2.895 -4.384 4.222 569 1HD1 LEU 75 1HD1 LEU 75 5.117 -2.521 3.758 570 2HD1 LEU 75 2HD1 LEU 75 4.915 -3.773 4.983 571 3HD1 LEU 75 3HD1 LEU 75 4.141 -2.201 5.191 572 1HD2 LEU 75 1HD2 LEU 75 1.116 -2.989 3.765 573 2HD2 LEU 75 2HD2 LEU 75 2.141 -1.735 3.068 574 3HD2 LEU 75 3HD2 LEU 75 2.102 -1.973 4.815 575 H LEU 76 H LEU 76 1.707 -2.789 -0.628 576 HA LEU 76 HA LEU 76 3.421 -4.346 -2.452 577 1HB LEU 76 1HB LEU 76 0.732 -3.077 -2.963 578 2HB LEU 76 2HB LEU 76 1.778 -3.667 -4.251 579 HG LEU 76 HG LEU 76 0.375 -5.263 -2.117 580 1HD1 LEU 76 1HD1 LEU 76 0.240 -6.228 -4.831 581 2HD1 LEU 76 2HD1 LEU 76 -0.309 -4.555 -4.719 582 3HD1 LEU 76 3HD1 LEU 76 -1.060 -5.800 -3.720 583 1HD2 LEU 76 1HD2 LEU 76 1.537 -7.227 -3.323 584 2HD2 LEU 76 2HD2 LEU 76 2.446 -6.321 -2.113 585 3HD2 LEU 76 3HD2 LEU 76 2.715 -6.017 -3.829 586 H LEU 77 H LEU 77 4.893 -3.272 -3.614 587 HA LEU 77 HA LEU 77 4.863 -0.333 -3.458 588 1HB LEU 77 1HB LEU 77 7.195 -2.212 -3.846 589 2HB LEU 77 2HB LEU 77 7.307 -0.463 -3.832 590 HG LEU 77 HG LEU 77 6.501 -0.463 -1.482 591 1HD1 LEU 77 1HD1 LEU 77 6.450 -3.404 -1.976 592 2HD1 LEU 77 2HD1 LEU 77 5.291 -2.385 -1.124 593 3HD1 LEU 77 3HD1 LEU 77 6.828 -2.797 -0.364 594 1HD2 LEU 77 1HD2 LEU 77 8.999 -1.961 -2.217 595 2HD2 LEU 77 2HD2 LEU 77 8.607 -1.546 -0.548 596 3HD2 LEU 77 3HD2 LEU 77 8.826 -0.270 -1.746 597 H PHE 78 H PHE 78 4.971 0.880 -5.258 598 HA PHE 78 HA PHE 78 5.368 -0.439 -7.857 599 1HB PHE 78 1HB PHE 78 3.122 1.491 -7.215 600 2HB PHE 78 2HB PHE 78 3.431 0.739 -8.776 601 HD1 PHE 78 HD1 PHE 78 3.360 -1.844 -8.850 602 HD2 PHE 78 HD2 PHE 78 1.693 0.485 -5.704 603 HE1 PHE 78 HE1 PHE 78 1.942 -3.747 -8.201 604 HE2 PHE 78 HE2 PHE 78 0.269 -1.412 -5.051 605 HZ PHE 78 HZ PHE 78 0.390 -3.529 -6.298 606 H LYS 79 H LYS 79 6.825 0.690 -9.089 607 HA LYS 79 HA LYS 79 7.259 3.519 -8.352 608 1HB LYS 79 1HB LYS 79 9.172 1.406 -9.274 609 2HB LYS 79 2HB LYS 79 9.549 3.106 -9.507 610 1HG LYS 79 1HG LYS 79 9.236 3.421 -7.042 611 2HG LYS 79 2HG LYS 79 9.110 1.671 -6.896 612 1HD LYS 79 1HD LYS 79 11.469 3.176 -8.018 613 2HD LYS 79 2HD LYS 79 11.374 2.468 -6.406 614 1HE LYS 79 1HE LYS 79 12.590 0.933 -7.725 615 2HE LYS 79 2HE LYS 79 10.978 0.248 -7.541 616 1HZ LYS 79 1HZ LYS 79 10.661 0.300 -9.727 617 2HZ LYS 79 2HZ LYS 79 12.309 0.640 -9.892 618 3HZ LYS 79 3HZ LYS 79 11.186 1.904 -9.863 619 H ASN 80 H ASN 80 6.851 5.045 -9.815 620 HA ASN 80 HA ASN 80 6.085 5.985 -11.752 621 1HB ASN 80 1HB ASN 80 8.319 4.272 -12.857 622 2HB ASN 80 2HB ASN 80 7.578 5.637 -13.689 623 1HD2 ASN 80 1HD2 ASN 80 10.181 4.738 -11.970 624 2HD2 ASN 80 2HD2 ASN 80 10.645 6.260 -11.296 625 H GLY 81 H GLY 81 4.056 4.754 -11.552 626 1HA GLY 81 1HA GLY 81 2.429 3.310 -12.294 627 2HA GLY 81 2HA GLY 81 2.981 3.895 -13.861 628 H LYS 82 H LYS 82 4.731 1.814 -11.592 629 HA LYS 82 HA LYS 82 4.302 -0.489 -13.330 630 1HB LYS 82 1HB LYS 82 7.032 0.631 -12.668 631 2HB LYS 82 2HB LYS 82 6.765 -0.955 -13.366 632 1HG LYS 82 1HG LYS 82 5.969 1.645 -14.642 633 2HG LYS 82 2HG LYS 82 7.402 0.700 -15.045 634 1HD LYS 82 1HD LYS 82 4.543 -0.231 -15.303 635 2HD LYS 82 2HD LYS 82 5.575 0.302 -16.630 636 1HE LYS 82 1HE LYS 82 7.130 -1.532 -16.142 637 2HE LYS 82 2HE LYS 82 6.078 -2.069 -14.834 638 1HZ LYS 82 1HZ LYS 82 5.898 -3.184 -17.133 639 2HZ LYS 82 2HZ LYS 82 5.017 -1.808 -17.570 640 3HZ LYS 82 3HZ LYS 82 4.476 -2.792 -16.305 641 H GLU 83 H GLU 83 6.326 -2.064 -12.054 642 HA GLU 83 HA GLU 83 5.092 -2.352 -9.407 643 1HB GLU 83 1HB GLU 83 4.753 -4.224 -10.978 644 2HB GLU 83 2HB GLU 83 6.490 -4.392 -11.157 645 1HG GLU 83 1HG GLU 83 6.721 -5.134 -8.904 646 2HG GLU 83 2HG GLU 83 5.033 -4.757 -8.552 647 H VAL 84 H VAL 84 6.701 -3.579 -7.853 648 HA VAL 84 HA VAL 84 9.449 -2.726 -8.180 649 HB VAL 84 HB VAL 84 7.997 -1.962 -5.727 650 1HG1 VAL 84 1HG1 VAL 84 10.078 -0.407 -5.643 651 2HG1 VAL 84 2HG1 VAL 84 10.753 -1.596 -6.758 652 3HG1 VAL 84 3HG1 VAL 84 10.213 -2.096 -5.156 653 1HG2 VAL 84 1HG2 VAL 84 7.834 0.279 -6.471 654 2HG2 VAL 84 2HG2 VAL 84 7.164 -0.732 -7.746 655 3HG2 VAL 84 3HG2 VAL 84 8.790 -0.072 -7.910 656 H ALA 85 H ALA 85 7.358 -3.825 -5.532 657 HA ALA 85 HA ALA 85 8.415 -6.457 -5.495 658 1HB ALA 85 1HB ALA 85 10.417 -5.537 -4.632 659 2HB ALA 85 2HB ALA 85 9.564 -6.238 -3.256 660 3HB ALA 85 3HB ALA 85 9.540 -4.494 -3.512 661 H LYS 86 H LYS 86 7.476 -7.774 -3.841 662 HA LYS 86 HA LYS 86 5.165 -6.508 -2.519 663 1HB LYS 86 1HB LYS 86 3.993 -8.661 -2.747 664 2HB LYS 86 2HB LYS 86 4.438 -7.988 -4.309 665 1HG LYS 86 1HG LYS 86 6.357 -9.506 -4.410 666 2HG LYS 86 2HG LYS 86 5.883 -10.194 -2.856 667 1HD LYS 86 1HD LYS 86 4.226 -10.222 -5.378 668 2HD LYS 86 2HD LYS 86 5.130 -11.589 -4.721 669 1HE LYS 86 1HE LYS 86 3.757 -11.511 -2.692 670 2HE LYS 86 2HE LYS 86 2.851 -10.155 -3.361 671 1HZ LYS 86 1HZ LYS 86 2.585 -11.926 -5.319 672 2HZ LYS 86 2HZ LYS 86 1.491 -11.798 -4.034 673 3HZ LYS 86 3HZ LYS 86 2.697 -12.984 -4.002 674 H VAL 87 H VAL 87 5.272 -6.508 -0.381 675 HA VAL 87 HA VAL 87 6.534 -8.771 0.992 676 HB VAL 87 HB VAL 87 7.118 -5.883 1.669 677 1HG1 VAL 87 1HG1 VAL 87 8.871 -7.033 3.144 678 2HG1 VAL 87 2HG1 VAL 87 7.900 -8.490 2.933 679 3HG1 VAL 87 3HG1 VAL 87 7.194 -7.061 3.686 680 1HG2 VAL 87 1HG2 VAL 87 9.062 -7.924 0.621 681 2HG2 VAL 87 2HG2 VAL 87 9.297 -6.186 0.808 682 3HG2 VAL 87 3HG2 VAL 87 8.200 -6.799 -0.428 683 H VAL 88 H VAL 88 4.554 -9.511 1.730 684 HA VAL 88 HA VAL 88 2.593 -7.842 2.914 685 HB VAL 88 HB VAL 88 1.915 -9.975 2.027 686 1HG1 VAL 88 1HG1 VAL 88 3.040 -11.687 4.097 687 2HG1 VAL 88 2HG1 VAL 88 4.278 -10.928 3.094 688 3HG1 VAL 88 3HG1 VAL 88 3.009 -11.898 2.346 689 1HG2 VAL 88 1HG2 VAL 88 1.373 -10.825 4.707 690 2HG2 VAL 88 2HG2 VAL 88 0.297 -10.062 3.541 691 3HG2 VAL 88 3HG2 VAL 88 1.272 -9.067 4.616 692 H GLY 89 H GLY 89 2.633 -6.874 4.812 693 1HA GLY 89 1HA GLY 89 2.760 -7.321 7.264 694 2HA GLY 89 2HA GLY 89 4.337 -8.024 6.936 695 H ALA 90 H ALA 90 2.595 -5.166 7.605 696 HA ALA 90 HA ALA 90 4.837 -3.434 6.891 697 1HB ALA 90 1HB ALA 90 3.387 -1.662 6.961 698 2HB ALA 90 2HB ALA 90 2.383 -2.388 8.217 699 3HB ALA 90 3HB ALA 90 2.266 -2.960 6.553 700 H ASN 91 H ASN 91 5.293 -5.302 8.958 701 HA ASN 91 HA ASN 91 5.102 -3.901 11.482 702 1HB ASN 91 1HB ASN 91 4.883 -6.358 11.392 703 2HB ASN 91 2HB ASN 91 6.523 -6.478 10.765 704 1HD2 ASN 91 1HD2 ASN 91 7.994 -6.967 12.207 705 2HD2 ASN 91 2HD2 ASN 91 7.928 -6.618 13.896 706 HA PRO 92 HA PRO 92 8.738 -1.366 11.181 707 1HB PRO 92 1HB PRO 92 9.142 -2.504 13.929 708 2HB PRO 92 2HB PRO 92 9.347 -0.839 13.366 709 1HG PRO 92 1HG PRO 92 7.145 -1.533 14.667 710 2HG PRO 92 2HG PRO 92 7.057 -0.453 13.262 711 1HD PRO 92 1HD PRO 92 6.262 -3.304 13.505 712 2HD PRO 92 2HD PRO 92 5.613 -2.035 12.449 713 H ALA 93 H ALA 93 9.773 -2.709 9.608 714 HA ALA 93 HA ALA 93 12.264 -3.716 10.359 715 1HB ALA 93 1HB ALA 93 10.402 -5.529 11.098 716 2HB ALA 93 2HB ALA 93 12.059 -5.938 10.655 717 3HB ALA 93 3HB ALA 93 10.766 -6.086 9.464 718 H ALA 94 H ALA 94 9.621 -3.761 8.033 719 HA ALA 94 HA ALA 94 11.628 -3.637 5.894 720 1HB ALA 94 1HB ALA 94 9.263 -5.445 6.075 721 2HB ALA 94 2HB ALA 94 10.909 -5.798 5.550 722 3HB ALA 94 3HB ALA 94 9.822 -4.892 4.496 723 H ILE 95 H ILE 95 8.272 -2.935 6.823 724 HA ILE 95 HA ILE 95 7.517 -1.441 4.621 725 HB ILE 95 HB ILE 95 5.940 -2.043 6.354 726 1HG1 ILE 95 1HG1 ILE 95 4.732 0.076 6.593 727 2HG1 ILE 95 2HG1 ILE 95 6.184 0.966 6.150 728 1HG2 ILE 95 1HG2 ILE 95 6.968 -1.960 8.393 729 2HG2 ILE 95 2HG2 ILE 95 6.021 -0.473 8.458 730 3HG2 ILE 95 3HG2 ILE 95 7.739 -0.409 8.063 731 1HD1 ILE 95 1HD1 ILE 95 5.866 -0.745 4.036 732 2HD1 ILE 95 2HD1 ILE 95 5.346 0.938 4.089 733 3HD1 ILE 95 3HD1 ILE 95 4.205 -0.352 4.474 734 H LYS 96 H LYS 96 9.987 -0.712 6.875 735 HA LYS 96 HA LYS 96 9.833 2.148 6.397 736 1HB LYS 96 1HB LYS 96 10.452 1.964 8.573 737 2HB LYS 96 2HB LYS 96 11.149 0.366 8.348 738 1HG LYS 96 1HG LYS 96 13.145 1.308 7.447 739 2HG LYS 96 2HG LYS 96 12.457 2.931 7.496 740 1HD LYS 96 1HD LYS 96 12.278 2.723 9.963 741 2HD LYS 96 2HD LYS 96 13.082 1.157 9.858 742 1HE LYS 96 1HE LYS 96 14.235 3.814 9.015 743 2HE LYS 96 2HE LYS 96 14.663 2.909 10.465 744 1HZ LYS 96 1HZ LYS 96 15.552 1.156 9.111 745 2HZ LYS 96 2HZ LYS 96 16.259 2.618 8.638 746 3HZ LYS 96 3HZ LYS 96 15.043 1.923 7.691 747 H GLN 97 H GLN 97 12.379 -0.337 6.177 748 HA GLN 97 HA GLN 97 14.049 1.226 4.521 749 1HB GLN 97 1HB GLN 97 14.028 -1.761 4.989 750 2HB GLN 97 2HB GLN 97 15.287 -0.902 4.119 751 1HG GLN 97 1HG GLN 97 16.185 -1.154 6.228 752 2HG GLN 97 2HG GLN 97 15.556 0.488 6.250 753 1HE2 GLN 97 1HE2 GLN 97 13.252 -2.086 6.454 754 2HE2 GLN 97 2HE2 GLN 97 12.928 -1.933 8.139 755 H ALA 98 H ALA 98 11.542 -1.139 3.848 756 HA ALA 98 HA ALA 98 12.066 -1.633 1.154 757 1HB ALA 98 1HB ALA 98 9.786 -2.343 0.964 758 2HB ALA 98 2HB ALA 98 9.324 -1.404 2.385 759 3HB ALA 98 3HB ALA 98 10.374 -2.811 2.559 760 H ILE 99 H ILE 99 10.645 1.121 2.725 761 HA ILE 99 HA ILE 99 9.783 2.330 0.234 762 HB ILE 99 HB ILE 99 9.582 3.155 3.129 763 1HG1 ILE 99 1HG1 ILE 99 7.170 2.931 2.695 764 2HG1 ILE 99 2HG1 ILE 99 7.514 2.485 1.030 765 1HG2 ILE 99 1HG2 ILE 99 8.190 5.066 2.292 766 2HG2 ILE 99 2HG2 ILE 99 8.808 4.727 0.675 767 3HG2 ILE 99 3HG2 ILE 99 9.916 5.209 1.959 768 1HD1 ILE 99 1HD1 ILE 99 7.055 0.717 2.974 769 2HD1 ILE 99 2HD1 ILE 99 8.808 0.845 3.098 770 3HD1 ILE 99 3HD1 ILE 99 8.065 0.377 1.570 771 H ALA 100 H ALA 100 12.643 2.151 1.983 772 HA ALA 100 HA ALA 100 13.548 4.843 1.388 773 1HB ALA 100 1HB ALA 100 15.760 3.583 2.294 774 2HB ALA 100 2HB ALA 100 14.498 2.603 3.041 775 3HB ALA 100 3HB ALA 100 14.556 4.341 3.337 776 H ALA 101 H ALA 101 15.236 1.757 0.886 777 HA ALA 101 HA ALA 101 16.865 2.563 -1.176 778 1HB ALA 101 1HB ALA 101 15.878 -0.203 -1.405 779 2HB ALA 101 2HB ALA 101 16.537 0.249 0.167 780 3HB ALA 101 3HB ALA 101 17.527 0.411 -1.284 781 H ASN 102 H ASN 102 13.496 1.659 -1.309 782 HA ASN 102 HA ASN 102 13.403 1.378 -4.156 783 1HB ASN 102 1HB ASN 102 11.246 1.649 -2.053 784 2HB ASN 102 2HB ASN 102 10.951 1.295 -3.758 785 1HD2 ASN 102 1HD2 ASN 102 10.226 -0.731 -3.708 786 2HD2 ASN 102 2HD2 ASN 102 11.072 -2.075 -3.032 787 H ALA 103 H ALA 103 12.232 3.803 -1.823 788 HA ALA 103 HA ALA 103 11.876 5.694 -4.043 789 1HB ALA 103 1HB ALA 103 10.855 5.903 -1.214 790 2HB ALA 103 2HB ALA 103 9.930 5.291 -2.582 791 3HB ALA 103 3HB ALA 103 10.461 6.972 -2.558 Start of MODEL 19 1 1H MET 1 1H MET 1 0.536 12.369 2.889 2 2H MET 1 2H MET 1 -0.473 13.722 2.572 3 3H MET 1 3H MET 1 -0.472 12.376 1.505 4 HA MET 1 HA MET 1 -1.219 12.153 4.333 5 1HB MET 1 1HB MET 1 -3.554 12.369 3.584 6 2HB MET 1 2HB MET 1 -2.642 13.843 3.290 7 1HG MET 1 1HG MET 1 -2.394 13.225 0.943 8 2HG MET 1 2HG MET 1 -3.304 11.746 1.237 9 1HE MET 1 1HE MET 1 -6.669 12.381 1.682 10 2HE MET 1 2HE MET 1 -6.223 13.401 3.051 11 3HE MET 1 3HE MET 1 -5.326 11.917 2.727 12 H VAL 2 H VAL 2 -3.259 10.460 4.064 13 HA VAL 2 HA VAL 2 -2.307 8.243 2.387 14 HB VAL 2 HB VAL 2 -1.499 7.925 4.711 15 1HG1 VAL 2 1HG1 VAL 2 -3.249 7.257 6.412 16 2HG1 VAL 2 2HG1 VAL 2 -4.436 8.004 5.345 17 3HG1 VAL 2 3HG1 VAL 2 -3.139 8.977 6.038 18 1HG2 VAL 2 1HG2 VAL 2 -2.953 5.654 4.952 19 2HG2 VAL 2 2HG2 VAL 2 -1.590 5.856 3.853 20 3HG2 VAL 2 3HG2 VAL 2 -3.238 6.060 3.259 21 H THR 3 H THR 3 -3.898 7.022 1.446 22 HA THR 3 HA THR 3 -6.645 7.270 2.363 23 HB THR 3 HB THR 3 -5.814 8.105 -0.420 24 HG1 THR 3 HG1 THR 3 -5.473 9.785 0.958 25 1HG2 THR 3 1HG2 THR 3 -8.225 8.821 -0.587 26 2HG2 THR 3 2HG2 THR 3 -8.530 7.792 0.813 27 3HG2 THR 3 3HG2 THR 3 -7.916 7.088 -0.683 28 H GLN 4 H GLN 4 -8.123 5.818 1.212 29 HA GLN 4 HA GLN 4 -6.765 3.318 0.501 30 1HB GLN 4 1HB GLN 4 -9.707 3.801 0.998 31 2HB GLN 4 2HB GLN 4 -8.885 2.248 0.932 32 1HG GLN 4 1HG GLN 4 -7.663 2.787 2.953 33 2HG GLN 4 2HG GLN 4 -8.423 4.372 3.013 34 1HE2 GLN 4 1HE2 GLN 4 -10.745 2.328 1.891 35 2HE2 GLN 4 2HE2 GLN 4 -11.496 1.900 3.384 36 H PHE 5 H PHE 5 -8.323 1.987 -1.107 37 HA PHE 5 HA PHE 5 -9.088 3.744 -3.329 38 1HB PHE 5 1HB PHE 5 -7.356 1.277 -3.520 39 2HB PHE 5 2HB PHE 5 -8.142 2.029 -4.914 40 HD1 PHE 5 HD1 PHE 5 -7.751 4.912 -4.059 41 HD2 PHE 5 HD2 PHE 5 -5.111 1.570 -4.138 42 HE1 PHE 5 HE1 PHE 5 -5.840 6.435 -4.365 43 HE2 PHE 5 HE2 PHE 5 -3.201 3.091 -4.442 44 HZ PHE 5 HZ PHE 5 -3.563 5.521 -4.558 45 H LYS 6 H LYS 6 -11.259 3.477 -3.068 46 HA LYS 6 HA LYS 6 -12.420 0.856 -2.734 47 1HB LYS 6 1HB LYS 6 -13.657 3.579 -3.173 48 2HB LYS 6 2HB LYS 6 -14.591 2.108 -2.938 49 1HG LYS 6 1HG LYS 6 -12.640 3.270 -0.961 50 2HG LYS 6 2HG LYS 6 -14.398 3.414 -0.882 51 1HD LYS 6 1HD LYS 6 -14.584 0.973 -0.723 52 2HD LYS 6 2HD LYS 6 -12.826 0.838 -0.793 53 1HE LYS 6 1HE LYS 6 -12.646 2.130 1.277 54 2HE LYS 6 2HE LYS 6 -14.402 2.267 1.346 55 1HZ LYS 6 1HZ LYS 6 -13.031 0.365 2.592 56 2HZ LYS 6 2HZ LYS 6 -13.346 -0.430 1.133 57 3HZ LYS 6 3HZ LYS 6 -14.625 0.162 2.067 58 H THR 7 H THR 7 -11.510 2.865 -5.363 59 HA THR 7 HA THR 7 -12.787 0.982 -7.217 60 HB THR 7 HB THR 7 -13.269 2.856 -8.765 61 HG1 THR 7 HG1 THR 7 -12.862 4.884 -8.228 62 1HG2 THR 7 1HG2 THR 7 -14.588 2.607 -6.146 63 2HG2 THR 7 2HG2 THR 7 -15.252 2.486 -7.775 64 3HG2 THR 7 3HG2 THR 7 -14.938 4.070 -7.065 65 H ALA 8 H ALA 8 -11.324 0.076 -8.499 66 HA ALA 8 HA ALA 8 -8.619 0.587 -8.441 67 1HB ALA 8 1HB ALA 8 -8.715 -0.561 -10.810 68 2HB ALA 8 2HB ALA 8 -10.394 -0.847 -10.351 69 3HB ALA 8 3HB ALA 8 -9.086 -1.465 -9.341 70 H SER 9 H SER 9 -11.066 2.236 -10.246 71 HA SER 9 HA SER 9 -9.496 3.365 -12.277 72 1HB SER 9 1HB SER 9 -11.944 3.471 -12.300 73 2HB SER 9 2HB SER 9 -11.924 4.513 -10.878 74 HG SER 9 HG SER 9 -11.759 6.099 -12.233 75 H GLU 10 H GLU 10 -9.494 3.911 -8.902 76 HA GLU 10 HA GLU 10 -8.371 6.562 -9.113 77 1HB GLU 10 1HB GLU 10 -8.988 4.841 -6.719 78 2HB GLU 10 2HB GLU 10 -8.323 6.467 -6.622 79 1HG GLU 10 1HG GLU 10 -10.312 7.359 -7.698 80 2HG GLU 10 2HG GLU 10 -10.975 5.733 -7.840 81 H PHE 11 H PHE 11 -7.403 3.378 -8.011 82 HA PHE 11 HA PHE 11 -4.761 4.101 -7.301 83 1HB PHE 11 1HB PHE 11 -6.026 2.067 -6.496 84 2HB PHE 11 2HB PHE 11 -5.729 1.346 -8.072 85 HD1 PHE 11 HD1 PHE 11 -4.785 -0.412 -6.366 86 HD2 PHE 11 HD2 PHE 11 -2.959 3.341 -7.211 87 HE1 PHE 11 HE1 PHE 11 -2.631 -1.273 -5.546 88 HE2 PHE 11 HE2 PHE 11 -0.808 2.481 -6.400 89 HZ PHE 11 HZ PHE 11 -0.642 0.173 -5.565 90 H ASP 12 H ASP 12 -6.278 3.334 -10.304 91 HA ASP 12 HA ASP 12 -4.142 2.350 -11.792 92 1HB ASP 12 1HB ASP 12 -6.452 2.373 -12.612 93 2HB ASP 12 2HB ASP 12 -6.407 4.130 -12.718 94 H SER 13 H SER 13 -5.046 5.691 -11.065 95 HA SER 13 HA SER 13 -2.869 6.739 -12.667 96 1HB SER 13 1HB SER 13 -4.985 7.962 -12.610 97 2HB SER 13 2HB SER 13 -4.851 8.144 -10.861 98 HG SER 13 HG SER 13 -3.257 9.309 -12.883 99 H ALA 14 H ALA 14 -3.467 5.906 -9.360 100 HA ALA 14 HA ALA 14 -1.661 7.553 -8.032 101 1HB ALA 14 1HB ALA 14 -3.315 5.461 -7.334 102 2HB ALA 14 2HB ALA 14 -2.262 6.366 -6.245 103 3HB ALA 14 3HB ALA 14 -1.702 4.855 -6.959 104 H ILE 15 H ILE 15 -1.101 4.525 -9.763 105 HA ILE 15 HA ILE 15 1.708 4.508 -9.036 106 HB ILE 15 HB ILE 15 1.867 2.459 -10.350 107 1HG1 ILE 15 1HG1 ILE 15 -1.054 2.970 -10.968 108 2HG1 ILE 15 2HG1 ILE 15 0.272 2.936 -12.126 109 1HG2 ILE 15 1HG2 ILE 15 0.297 1.088 -8.985 110 2HG2 ILE 15 2HG2 ILE 15 -0.434 2.588 -8.415 111 3HG2 ILE 15 3HG2 ILE 15 1.256 2.239 -8.053 112 1HD1 ILE 15 1HD1 ILE 15 0.300 0.477 -10.739 113 2HD1 ILE 15 2HD1 ILE 15 -0.072 0.782 -12.436 114 3HD1 ILE 15 3HD1 ILE 15 -1.362 0.802 -11.234 115 H ALA 16 H ALA 16 -0.183 4.824 -12.035 116 HA ALA 16 HA ALA 16 1.774 5.047 -13.897 117 1HB ALA 16 1HB ALA 16 -0.646 6.838 -13.806 118 2HB ALA 16 2HB ALA 16 -0.660 5.157 -14.339 119 3HB ALA 16 3HB ALA 16 0.270 6.358 -15.235 120 H GLN 17 H GLN 17 3.664 6.034 -13.494 121 HA GLN 17 HA GLN 17 5.188 7.659 -12.983 122 1HB GLN 17 1HB GLN 17 3.171 9.298 -14.527 123 2HB GLN 17 2HB GLN 17 4.842 9.757 -14.230 124 1HG GLN 17 1HG GLN 17 5.607 7.820 -15.502 125 2HG GLN 17 2HG GLN 17 3.928 7.352 -15.796 126 1HE2 GLN 17 1HE2 GLN 17 6.512 8.776 -17.160 127 2HE2 GLN 17 2HE2 GLN 17 5.728 9.800 -18.309 128 H ASP 18 H ASP 18 5.017 7.792 -10.735 129 HA ASP 18 HA ASP 18 4.318 10.320 -9.722 130 1HB ASP 18 1HB ASP 18 2.032 9.226 -10.047 131 2HB ASP 18 2HB ASP 18 2.480 8.145 -8.731 132 H LYS 19 H LYS 19 6.579 8.661 -9.611 133 HA LYS 19 HA LYS 19 8.187 7.995 -8.141 134 1HB LYS 19 1HB LYS 19 6.315 9.288 -6.169 135 2HB LYS 19 2HB LYS 19 7.954 8.792 -5.792 136 1HG LYS 19 1HG LYS 19 8.012 11.119 -6.168 137 2HG LYS 19 2HG LYS 19 8.740 10.354 -7.581 138 1HD LYS 19 1HD LYS 19 6.719 10.665 -8.855 139 2HD LYS 19 2HD LYS 19 5.870 11.274 -7.432 140 1HE LYS 19 1HE LYS 19 6.551 13.095 -8.906 141 2HE LYS 19 2HE LYS 19 7.379 13.190 -7.352 142 1HZ LYS 19 1HZ LYS 19 8.934 13.604 -9.105 143 2HZ LYS 19 2HZ LYS 19 8.510 12.174 -9.903 144 3HZ LYS 19 3HZ LYS 19 9.306 12.106 -8.412 145 H LEU 20 H LEU 20 7.841 7.060 -5.461 146 HA LEU 20 HA LEU 20 6.654 4.465 -6.066 147 1HB LEU 20 1HB LEU 20 8.933 4.388 -5.292 148 2HB LEU 20 2HB LEU 20 8.534 5.377 -3.888 149 HG LEU 20 HG LEU 20 7.108 3.548 -3.032 150 1HD1 LEU 20 1HD1 LEU 20 8.216 1.467 -4.712 151 2HD1 LEU 20 2HD1 LEU 20 7.217 2.600 -5.623 152 3HD1 LEU 20 3HD1 LEU 20 6.548 1.763 -4.223 153 1HD2 LEU 20 1HD2 LEU 20 10.019 3.311 -3.461 154 2HD2 LEU 20 2HD2 LEU 20 9.186 1.867 -2.890 155 3HD2 LEU 20 3HD2 LEU 20 9.089 3.362 -1.963 156 H VAL 21 H VAL 21 4.690 4.062 -5.389 157 HA VAL 21 HA VAL 21 3.608 5.543 -3.104 158 HB VAL 21 HB VAL 21 2.137 3.886 -5.160 159 1HG1 VAL 21 1HG1 VAL 21 1.120 4.188 -2.837 160 2HG1 VAL 21 2HG1 VAL 21 0.129 4.644 -4.221 161 3HG1 VAL 21 3HG1 VAL 21 0.941 5.887 -3.269 162 1HG2 VAL 21 1HG2 VAL 21 3.007 6.699 -5.114 163 2HG2 VAL 21 2HG2 VAL 21 1.330 6.427 -5.589 164 3HG2 VAL 21 3HG2 VAL 21 2.637 5.646 -6.479 165 H VAL 22 H VAL 22 2.923 4.538 -1.281 166 HA VAL 22 HA VAL 22 3.550 1.684 -1.040 167 HB VAL 22 HB VAL 22 2.992 3.687 1.154 168 1HG1 VAL 22 1HG1 VAL 22 4.418 1.718 2.311 169 2HG1 VAL 22 2HG1 VAL 22 3.532 0.790 1.103 170 3HG1 VAL 22 3HG1 VAL 22 2.656 1.763 2.284 171 1HG2 VAL 22 1HG2 VAL 22 5.557 2.762 -0.104 172 2HG2 VAL 22 2HG2 VAL 22 5.502 3.419 1.531 173 3HG2 VAL 22 3HG2 VAL 22 4.992 4.411 0.167 174 H VAL 23 H VAL 23 1.669 0.876 -2.026 175 HA VAL 23 HA VAL 23 -0.881 1.496 -0.730 176 HB VAL 23 HB VAL 23 -0.406 -0.143 -3.220 177 1HG1 VAL 23 1HG1 VAL 23 -2.635 -0.381 -3.409 178 2HG1 VAL 23 2HG1 VAL 23 -2.966 1.234 -2.779 179 3HG1 VAL 23 3HG1 VAL 23 -2.622 -0.091 -1.668 180 1HG2 VAL 23 1HG2 VAL 23 -0.058 1.738 -4.345 181 2HG2 VAL 23 2HG2 VAL 23 -0.153 2.660 -2.845 182 3HG2 VAL 23 3HG2 VAL 23 -1.609 2.363 -3.790 183 H ASP 24 H ASP 24 -1.664 0.189 0.764 184 HA ASP 24 HA ASP 24 -0.598 -2.529 0.999 185 1HB ASP 24 1HB ASP 24 -0.444 -1.088 2.990 186 2HB ASP 24 2HB ASP 24 -2.201 -0.872 2.968 187 H PHE 25 H PHE 25 -1.858 -4.309 0.716 188 HA PHE 25 HA PHE 25 -4.608 -3.879 -0.155 189 1HB PHE 25 1HB PHE 25 -2.609 -6.108 -0.504 190 2HB PHE 25 2HB PHE 25 -4.313 -6.322 -0.896 191 HD1 PHE 25 HD1 PHE 25 -1.867 -3.557 -1.518 192 HD2 PHE 25 HD2 PHE 25 -4.617 -6.367 -3.134 193 HE1 PHE 25 HE1 PHE 25 -1.426 -2.678 -3.771 194 HE2 PHE 25 HE2 PHE 25 -4.199 -5.483 -5.386 195 HZ PHE 25 HZ PHE 25 -2.607 -3.635 -5.711 196 H TYR 26 H TYR 26 -4.510 -3.550 2.484 197 HA TYR 26 HA TYR 26 -4.581 -5.731 4.168 198 1HB TYR 26 1HB TYR 26 -6.245 -4.331 5.522 199 2HB TYR 26 2HB TYR 26 -4.667 -3.624 5.204 200 HD1 TYR 26 HD1 TYR 26 -7.947 -3.781 3.388 201 HD2 TYR 26 HD2 TYR 26 -4.749 -1.364 4.811 202 HE1 TYR 26 HE1 TYR 26 -9.027 -1.802 2.429 203 HE2 TYR 26 HE2 TYR 26 -5.831 0.626 3.875 204 HH TYR 26 HH TYR 26 -8.478 0.429 1.706 205 H ALA 27 H ALA 27 -6.046 -7.277 4.715 206 HA ALA 27 HA ALA 27 -8.027 -7.947 2.799 207 1HB ALA 27 1HB ALA 27 -7.516 -9.051 5.558 208 2HB ALA 27 2HB ALA 27 -6.910 -9.688 4.029 209 3HB ALA 27 3HB ALA 27 -8.635 -9.748 4.387 210 H THR 28 H THR 28 -10.203 -7.669 2.806 211 HA THR 28 HA THR 28 -11.309 -5.511 4.172 212 HB THR 28 HB THR 28 -12.284 -6.262 2.116 213 HG1 THR 28 HG1 THR 28 -14.478 -6.418 2.775 214 1HG2 THR 28 1HG2 THR 28 -13.229 -8.315 1.679 215 2HG2 THR 28 2HG2 THR 28 -13.418 -8.711 3.387 216 3HG2 THR 28 3HG2 THR 28 -11.820 -8.752 2.644 217 H TRP 29 H TRP 29 -10.683 -8.645 5.301 218 HA TRP 29 HA TRP 29 -12.588 -8.321 7.513 219 1HB TRP 29 1HB TRP 29 -12.185 -10.847 7.813 220 2HB TRP 29 2HB TRP 29 -13.135 -10.333 6.414 221 HD1 TRP 29 HD1 TRP 29 -11.665 -10.174 4.029 222 HE1 TRP 29 HE1 TRP 29 -9.840 -11.766 3.170 223 HE3 TRP 29 HE3 TRP 29 -10.390 -12.430 8.447 224 HZ2 TRP 29 HZ2 TRP 29 -8.089 -13.704 4.214 225 HZ3 TRP 29 HZ3 TRP 29 -8.625 -14.125 8.431 226 HH2 TRP 29 HH2 TRP 29 -7.498 -14.764 6.355 227 H CYS 30 H CYS 30 -10.547 -10.727 8.381 228 HA CYS 30 HA CYS 30 -8.908 -10.990 9.893 229 1HB CYS 30 1HB CYS 30 -7.454 -10.052 8.223 230 2HB CYS 30 2HB CYS 30 -7.979 -8.419 8.624 231 HG CYS 30 HG CYS 30 -5.596 -9.145 9.695 232 H GLY 31 H GLY 31 -8.881 -7.436 10.056 233 1HA GLY 31 1HA GLY 31 -10.590 -6.672 11.903 234 2HA GLY 31 2HA GLY 31 -9.529 -7.648 12.903 235 HA PRO 32 HA PRO 32 -6.889 -4.223 13.655 236 1HB PRO 32 1HB PRO 32 -4.380 -5.294 13.341 237 2HB PRO 32 2HB PRO 32 -5.389 -5.523 14.772 238 1HG PRO 32 1HG PRO 32 -4.979 -7.340 12.430 239 2HG PRO 32 2HG PRO 32 -5.070 -7.739 14.156 240 1HD PRO 32 1HD PRO 32 -7.152 -8.134 12.509 241 2HD PRO 32 2HD PRO 32 -7.384 -7.612 14.192 242 H CYS 33 H CYS 33 -6.492 -5.918 10.633 243 HA CYS 33 HA CYS 33 -4.589 -4.426 9.325 244 1HB CYS 33 1HB CYS 33 -7.149 -5.629 8.265 245 2HB CYS 33 2HB CYS 33 -5.908 -4.916 7.227 246 HG CYS 33 HG CYS 33 -4.842 -7.135 9.020 247 H LYS 34 H LYS 34 -7.827 -3.467 10.209 248 HA LYS 34 HA LYS 34 -7.921 -1.204 8.443 249 1HB LYS 34 1HB LYS 34 -9.636 -2.046 10.777 250 2HB LYS 34 2HB LYS 34 -9.920 -0.566 9.873 251 1HG LYS 34 1HG LYS 34 -11.378 -2.341 9.107 252 2HG LYS 34 2HG LYS 34 -10.253 -1.864 7.835 253 1HD LYS 34 1HD LYS 34 -8.870 -3.797 8.283 254 2HD LYS 34 2HD LYS 34 -9.893 -4.248 9.650 255 1HE LYS 34 1HE LYS 34 -10.746 -4.121 6.759 256 2HE LYS 34 2HE LYS 34 -10.398 -5.591 7.669 257 1HZ LYS 34 1HZ LYS 34 -12.628 -3.686 8.084 258 2HZ LYS 34 2HZ LYS 34 -12.211 -4.864 9.223 259 3HZ LYS 34 3HZ LYS 34 -12.723 -5.326 7.679 260 H MET 35 H MET 35 -6.808 -1.787 11.688 261 HA MET 35 HA MET 35 -6.713 0.983 12.446 262 1HB MET 35 1HB MET 35 -5.346 -1.433 13.638 263 2HB MET 35 2HB MET 35 -5.410 0.161 14.378 264 1HG MET 35 1HG MET 35 -7.845 -0.001 14.513 265 2HG MET 35 2HG MET 35 -7.775 -1.603 13.782 266 1HE MET 35 1HE MET 35 -6.770 0.596 16.841 267 2HE MET 35 2HE MET 35 -5.217 -0.130 16.428 268 3HE MET 35 3HE MET 35 -6.029 -0.579 17.928 269 H ILE 36 H ILE 36 -5.093 -0.551 10.137 270 HA ILE 36 HA ILE 36 -2.408 0.361 10.681 271 HB ILE 36 HB ILE 36 -3.650 -1.019 8.309 272 1HG1 ILE 36 1HG1 ILE 36 -1.766 -1.992 10.465 273 2HG1 ILE 36 2HG1 ILE 36 -3.483 -2.370 10.351 274 1HG2 ILE 36 1HG2 ILE 36 -1.919 -0.186 7.173 275 2HG2 ILE 36 2HG2 ILE 36 -0.980 -1.402 8.039 276 3HG2 ILE 36 3HG2 ILE 36 -1.040 0.257 8.636 277 1HD1 ILE 36 1HD1 ILE 36 -2.774 -3.257 7.980 278 2HD1 ILE 36 2HD1 ILE 36 -2.594 -4.243 9.432 279 3HD1 ILE 36 3HD1 ILE 36 -1.200 -3.391 8.765 280 H ALA 37 H ALA 37 -5.217 1.567 9.090 281 HA ALA 37 HA ALA 37 -4.184 3.166 7.088 282 1HB ALA 37 1HB ALA 37 -6.170 4.526 7.309 283 2HB ALA 37 2HB ALA 37 -6.466 3.886 8.925 284 3HB ALA 37 3HB ALA 37 -6.589 2.827 7.520 285 HA PRO 38 HA PRO 38 -3.375 6.642 10.324 286 1HB PRO 38 1HB PRO 38 -3.019 5.888 12.912 287 2HB PRO 38 2HB PRO 38 -4.588 6.378 12.254 288 1HG PRO 38 1HG PRO 38 -3.529 3.651 12.819 289 2HG PRO 38 2HG PRO 38 -5.176 4.280 13.000 290 1HD PRO 38 1HD PRO 38 -4.327 2.718 10.909 291 2HD PRO 38 2HD PRO 38 -5.708 3.816 10.826 292 H MET 39 H MET 39 -2.001 3.455 10.980 293 HA MET 39 HA MET 39 0.590 4.362 11.697 294 1HB MET 39 1HB MET 39 -0.178 2.093 12.219 295 2HB MET 39 2HB MET 39 -0.285 1.714 10.512 296 1HG MET 39 1HG MET 39 2.106 2.002 10.320 297 2HG MET 39 2HG MET 39 2.219 2.386 12.029 298 1HE MET 39 1HE MET 39 3.869 -1.145 11.913 299 2HE MET 39 2HE MET 39 4.077 0.567 12.280 300 3HE MET 39 3HE MET 39 3.964 0.031 10.603 301 H ILE 40 H ILE 40 -0.755 3.079 8.665 302 HA ILE 40 HA ILE 40 1.445 3.319 7.016 303 HB ILE 40 HB ILE 40 -1.483 3.755 6.390 304 1HG1 ILE 40 1HG1 ILE 40 0.368 1.405 5.944 305 2HG1 ILE 40 2HG1 ILE 40 -0.887 1.518 7.169 306 1HG2 ILE 40 1HG2 ILE 40 0.806 3.412 4.445 307 2HG2 ILE 40 2HG2 ILE 40 -0.118 4.892 4.701 308 3HG2 ILE 40 3HG2 ILE 40 -0.906 3.467 4.028 309 1HD1 ILE 40 1HD1 ILE 40 -2.570 1.161 5.679 310 2HD1 ILE 40 2HD1 ILE 40 -1.276 0.257 4.890 311 3HD1 ILE 40 3HD1 ILE 40 -1.680 1.882 4.337 312 H GLU 41 H GLU 41 -0.607 5.797 8.326 313 HA GLU 41 HA GLU 41 0.266 7.883 6.561 314 1HB GLU 41 1HB GLU 41 -1.918 7.993 7.651 315 2HB GLU 41 2HB GLU 41 -1.149 7.995 9.231 316 1HG GLU 41 1HG GLU 41 -0.105 10.144 8.721 317 2HG GLU 41 2HG GLU 41 -0.877 10.142 7.137 318 H LYS 42 H LYS 42 1.150 6.681 9.738 319 HA LYS 42 HA LYS 42 2.812 8.758 10.576 320 1HB LYS 42 1HB LYS 42 2.964 5.794 11.149 321 2HB LYS 42 2HB LYS 42 3.906 7.015 11.995 322 1HG LYS 42 1HG LYS 42 1.899 8.027 12.860 323 2HG LYS 42 2HG LYS 42 0.900 6.923 11.916 324 1HD LYS 42 1HD LYS 42 0.984 6.166 14.205 325 2HD LYS 42 2HD LYS 42 1.857 5.028 13.181 326 1HE LYS 42 1HE LYS 42 3.208 7.234 14.721 327 2HE LYS 42 2HE LYS 42 2.956 5.619 15.379 328 1HZ LYS 42 1HZ LYS 42 4.942 6.536 13.551 329 2HZ LYS 42 2HZ LYS 42 4.105 5.205 12.927 330 3HZ LYS 42 3HZ LYS 42 4.874 5.091 14.428 331 H PHE 43 H PHE 43 3.277 6.394 8.117 332 HA PHE 43 HA PHE 43 6.161 6.744 8.080 333 1HB PHE 43 1HB PHE 43 4.305 5.071 6.383 334 2HB PHE 43 2HB PHE 43 6.048 5.156 6.132 335 HD1 PHE 43 HD1 PHE 43 3.729 4.665 9.017 336 HD2 PHE 43 HD2 PHE 43 7.226 3.384 6.958 337 HE1 PHE 43 HE1 PHE 43 4.047 2.877 10.679 338 HE2 PHE 43 HE2 PHE 43 7.552 1.593 8.615 339 HZ PHE 43 HZ PHE 43 5.960 1.338 10.478 340 H SER 44 H SER 44 3.366 8.025 6.542 341 HA SER 44 HA SER 44 4.540 8.897 4.127 342 1HB SER 44 1HB SER 44 2.112 8.791 4.417 343 2HB SER 44 2HB SER 44 2.196 10.055 5.656 344 HG SER 44 HG SER 44 3.016 11.456 4.027 345 H GLU 45 H GLU 45 5.089 9.899 7.307 346 HA GLU 45 HA GLU 45 5.712 12.651 6.648 347 1HB GLU 45 1HB GLU 45 6.120 11.093 9.207 348 2HB GLU 45 2HB GLU 45 6.376 12.824 9.019 349 1HG GLU 45 1HG GLU 45 4.008 13.116 8.493 350 2HG GLU 45 2HG GLU 45 3.753 11.382 8.686 351 H GLN 46 H GLN 46 7.364 9.615 6.910 352 HA GLN 46 HA GLN 46 9.983 10.869 7.026 353 1HB GLN 46 1HB GLN 46 9.173 7.964 6.904 354 2HB GLN 46 2HB GLN 46 10.829 8.538 7.058 355 1HG GLN 46 1HG GLN 46 10.263 9.610 9.174 356 2HG GLN 46 2HG GLN 46 8.606 9.029 9.022 357 1HE2 GLN 46 1HE2 GLN 46 8.188 7.324 10.206 358 2HE2 GLN 46 2HE2 GLN 46 9.312 6.056 10.619 359 H TYR 47 H TYR 47 7.867 9.381 4.690 360 HA TYR 47 HA TYR 47 9.937 9.813 2.634 361 1HB TYR 47 1HB TYR 47 7.811 7.667 2.698 362 2HB TYR 47 2HB TYR 47 8.935 7.944 1.371 363 HD1 TYR 47 HD1 TYR 47 11.460 7.798 1.949 364 HD2 TYR 47 HD2 TYR 47 8.378 6.208 4.408 365 HE1 TYR 47 HE1 TYR 47 13.098 6.314 3.029 366 HE2 TYR 47 HE2 TYR 47 10.005 4.709 5.491 367 HH TYR 47 HH TYR 47 12.185 3.711 5.021 368 HA PRO 48 HA PRO 48 5.820 12.420 2.261 369 1HB PRO 48 1HB PRO 48 8.103 14.237 1.604 370 2HB PRO 48 2HB PRO 48 6.554 14.616 2.366 371 1HG PRO 48 1HG PRO 48 8.810 14.318 3.802 372 2HG PRO 48 2HG PRO 48 7.222 13.840 4.425 373 1HD PRO 48 1HD PRO 48 9.487 12.154 3.603 374 2HD PRO 48 2HD PRO 48 8.079 11.747 4.607 375 H GLN 49 H GLN 49 8.722 11.951 0.347 376 HA GLN 49 HA GLN 49 7.710 12.893 -2.109 377 1HB GLN 49 1HB GLN 49 9.852 10.823 -1.591 378 2HB GLN 49 2HB GLN 49 9.547 11.587 -3.145 379 1HG GLN 49 1HG GLN 49 10.373 13.027 -0.633 380 2HG GLN 49 2HG GLN 49 11.455 12.564 -1.942 381 1HE2 GLN 49 1HE2 GLN 49 8.816 13.299 -3.616 382 2HE2 GLN 49 2HE2 GLN 49 9.039 14.992 -3.851 383 H ALA 50 H ALA 50 7.596 9.756 -0.543 384 HA ALA 50 HA ALA 50 6.258 8.533 -2.820 385 1HB ALA 50 1HB ALA 50 7.514 7.572 -0.321 386 2HB ALA 50 2HB ALA 50 7.585 6.912 -1.955 387 3HB ALA 50 3HB ALA 50 6.167 6.621 -0.947 388 H ASP 51 H ASP 51 4.113 8.011 -2.901 389 HA ASP 51 HA ASP 51 2.403 9.267 -0.910 390 1HB ASP 51 1HB ASP 51 1.747 7.947 -3.553 391 2HB ASP 51 2HB ASP 51 0.568 8.730 -2.503 392 H PHE 52 H PHE 52 1.389 8.203 0.654 393 HA PHE 52 HA PHE 52 1.560 5.285 0.662 394 1HB PHE 52 1HB PHE 52 1.022 7.277 2.867 395 2HB PHE 52 2HB PHE 52 0.947 5.523 3.089 396 HD1 PHE 52 HD1 PHE 52 3.299 7.998 1.561 397 HD2 PHE 52 HD2 PHE 52 2.787 4.586 4.052 398 HE1 PHE 52 HE1 PHE 52 5.723 7.942 1.974 399 HE2 PHE 52 HE2 PHE 52 5.210 4.526 4.470 400 HZ PHE 52 HZ PHE 52 6.681 6.204 3.431 401 H TYR 53 H TYR 53 -0.145 4.836 -0.754 402 HA TYR 53 HA TYR 53 -2.831 5.618 0.108 403 1HB TYR 53 1HB TYR 53 -1.715 4.466 -2.434 404 2HB TYR 53 2HB TYR 53 -3.438 4.358 -2.086 405 HD1 TYR 53 HD1 TYR 53 -4.536 6.663 -1.355 406 HD2 TYR 53 HD2 TYR 53 -0.973 6.288 -3.648 407 HE1 TYR 53 HE1 TYR 53 -4.876 8.928 -2.244 408 HE2 TYR 53 HE2 TYR 53 -1.299 8.556 -4.540 409 HH TYR 53 HH TYR 53 -3.060 10.166 -4.875 410 H LYS 54 H LYS 54 -4.415 3.588 -0.571 411 HA LYS 54 HA LYS 54 -3.322 1.112 0.459 412 1HB LYS 54 1HB LYS 54 -5.604 2.506 1.863 413 2HB LYS 54 2HB LYS 54 -4.976 0.911 2.247 414 1HG LYS 54 1HG LYS 54 -2.767 1.983 2.720 415 2HG LYS 54 2HG LYS 54 -3.560 3.546 2.538 416 1HD LYS 54 1HD LYS 54 -4.226 1.419 4.571 417 2HD LYS 54 2HD LYS 54 -3.414 2.952 4.882 418 1HE LYS 54 1HE LYS 54 -6.242 2.576 3.920 419 2HE LYS 54 2HE LYS 54 -5.742 3.094 5.527 420 1HZ LYS 54 1HZ LYS 54 -4.838 5.101 4.598 421 2HZ LYS 54 2HZ LYS 54 -6.445 4.946 4.097 422 3HZ LYS 54 3HZ LYS 54 -5.188 4.592 3.022 423 H LEU 55 H LEU 55 -4.352 -0.670 -0.262 424 HA LEU 55 HA LEU 55 -6.465 -0.231 -2.225 425 1HB LEU 55 1HB LEU 55 -4.364 -1.494 -2.776 426 2HB LEU 55 2HB LEU 55 -4.891 -2.741 -1.665 427 HG LEU 55 HG LEU 55 -5.325 -3.257 -4.063 428 1HD1 LEU 55 1HD1 LEU 55 -8.042 -3.123 -2.998 429 2HD1 LEU 55 2HD1 LEU 55 -6.861 -3.799 -1.876 430 3HD1 LEU 55 3HD1 LEU 55 -7.072 -4.516 -3.473 431 1HD2 LEU 55 1HD2 LEU 55 -5.883 -0.914 -4.703 432 2HD2 LEU 55 2HD2 LEU 55 -7.423 -1.106 -3.867 433 3HD2 LEU 55 3HD2 LEU 55 -7.047 -2.114 -5.264 434 H ASP 56 H ASP 56 -8.508 -0.828 -1.943 435 HA ASP 56 HA ASP 56 -9.293 -1.982 0.576 436 1HB ASP 56 1HB ASP 56 -10.773 -0.759 -1.743 437 2HB ASP 56 2HB ASP 56 -11.604 -1.514 -0.392 438 H VAL 57 H VAL 57 -9.272 -4.121 0.779 439 HA VAL 57 HA VAL 57 -9.611 -5.889 -1.469 440 HB VAL 57 HB VAL 57 -9.338 -6.454 1.494 441 1HG1 VAL 57 1HG1 VAL 57 -9.514 -8.332 -0.858 442 2HG1 VAL 57 2HG1 VAL 57 -10.483 -8.331 0.615 443 3HG1 VAL 57 3HG1 VAL 57 -8.783 -8.799 0.678 444 1HG2 VAL 57 1HG2 VAL 57 -7.069 -7.101 0.944 445 2HG2 VAL 57 2HG2 VAL 57 -7.367 -5.456 0.386 446 3HG2 VAL 57 3HG2 VAL 57 -7.361 -6.790 -0.768 447 H ASP 58 H ASP 58 -11.757 -4.179 0.389 448 HA ASP 58 HA ASP 58 -13.806 -6.210 0.607 449 1HB ASP 58 1HB ASP 58 -13.584 -4.441 2.321 450 2HB ASP 58 2HB ASP 58 -13.951 -3.227 1.102 451 H GLU 59 H GLU 59 -13.481 -3.102 -1.106 452 HA GLU 59 HA GLU 59 -15.712 -3.771 -2.834 453 1HB GLU 59 1HB GLU 59 -15.490 -1.482 -1.991 454 2HB GLU 59 2HB GLU 59 -13.919 -1.338 -2.765 455 1HG GLU 59 1HG GLU 59 -15.595 -0.204 -4.070 456 2HG GLU 59 2HG GLU 59 -14.980 -1.597 -4.956 457 H LEU 60 H LEU 60 -12.304 -4.090 -2.879 458 HA LEU 60 HA LEU 60 -12.417 -4.710 -5.755 459 1HB LEU 60 1HB LEU 60 -10.078 -3.488 -4.288 460 2HB LEU 60 2HB LEU 60 -10.114 -3.929 -5.983 461 HG LEU 60 HG LEU 60 -11.923 -2.237 -6.323 462 1HD1 LEU 60 1HD1 LEU 60 -11.682 -2.090 -3.434 463 2HD1 LEU 60 2HD1 LEU 60 -12.970 -1.520 -4.494 464 3HD1 LEU 60 3HD1 LEU 60 -11.555 -0.512 -4.206 465 1HD2 LEU 60 1HD2 LEU 60 -9.619 -1.725 -6.884 466 2HD2 LEU 60 2HD2 LEU 60 -9.298 -1.241 -5.219 467 3HD2 LEU 60 3HD2 LEU 60 -10.413 -0.301 -6.212 468 H GLY 61 H GLY 61 -12.973 -6.776 -4.306 469 1HA GLY 61 1HA GLY 61 -10.859 -8.190 -3.099 470 2HA GLY 61 2HA GLY 61 -12.338 -8.905 -3.726 471 H ASP 62 H ASP 62 -11.485 -7.538 -6.394 472 HA ASP 62 HA ASP 62 -10.192 -9.869 -7.442 473 1HB ASP 62 1HB ASP 62 -10.958 -7.308 -8.774 474 2HB ASP 62 2HB ASP 62 -10.400 -8.742 -9.611 475 H VAL 63 H VAL 63 -9.233 -6.636 -6.557 476 HA VAL 63 HA VAL 63 -6.752 -6.679 -7.973 477 HB VAL 63 HB VAL 63 -7.469 -4.943 -5.605 478 1HG1 VAL 63 1HG1 VAL 63 -5.866 -3.664 -7.591 479 2HG1 VAL 63 2HG1 VAL 63 -5.110 -5.192 -7.140 480 3HG1 VAL 63 3HG1 VAL 63 -5.485 -3.993 -5.901 481 1HG2 VAL 63 1HG2 VAL 63 -7.880 -4.301 -8.520 482 2HG2 VAL 63 2HG2 VAL 63 -8.370 -3.339 -7.125 483 3HG2 VAL 63 3HG2 VAL 63 -9.160 -4.881 -7.454 484 H ALA 64 H ALA 64 -7.819 -7.796 -4.859 485 HA ALA 64 HA ALA 64 -5.143 -8.134 -3.777 486 1HB ALA 64 1HB ALA 64 -6.875 -9.729 -2.298 487 2HB ALA 64 2HB ALA 64 -7.872 -8.366 -2.804 488 3HB ALA 64 3HB ALA 64 -6.378 -8.082 -1.913 489 H GLN 65 H GLN 65 -7.455 -9.914 -5.655 490 HA GLN 65 HA GLN 65 -6.040 -12.431 -5.325 491 1HB GLN 65 1HB GLN 65 -8.489 -11.708 -6.943 492 2HB GLN 65 2HB GLN 65 -7.810 -13.326 -6.831 493 1HG GLN 65 1HG GLN 65 -8.889 -11.720 -4.524 494 2HG GLN 65 2HG GLN 65 -9.739 -13.017 -5.360 495 1HE2 GLN 65 1HE2 GLN 65 -9.693 -14.873 -4.338 496 2HE2 GLN 65 2HE2 GLN 65 -8.431 -15.446 -3.306 497 H LYS 66 H LYS 66 -6.416 -9.837 -7.653 498 HA LYS 66 HA LYS 66 -5.406 -11.139 -9.924 499 1HB LYS 66 1HB LYS 66 -5.123 -8.996 -10.895 500 2HB LYS 66 2HB LYS 66 -6.509 -8.843 -9.825 501 1HG LYS 66 1HG LYS 66 -5.114 -7.778 -8.148 502 2HG LYS 66 2HG LYS 66 -3.707 -7.945 -9.195 503 1HD LYS 66 1HD LYS 66 -6.201 -6.378 -9.846 504 2HD LYS 66 2HD LYS 66 -4.673 -5.688 -9.299 505 1HE LYS 66 1HE LYS 66 -5.111 -7.258 -11.838 506 2HE LYS 66 2HE LYS 66 -4.898 -5.512 -11.720 507 1HZ LYS 66 1HZ LYS 66 -2.753 -5.973 -12.058 508 2HZ LYS 66 2HZ LYS 66 -2.926 -7.609 -11.666 509 3HZ LYS 66 3HZ LYS 66 -2.720 -6.463 -10.439 510 H ASN 67 H ASN 67 -3.749 -9.245 -7.418 511 HA ASN 67 HA ASN 67 -1.152 -9.886 -8.484 512 1HB ASN 67 1HB ASN 67 -2.069 -8.377 -6.029 513 2HB ASN 67 2HB ASN 67 -0.382 -8.582 -6.497 514 1HD2 ASN 67 1HD2 ASN 67 -2.877 -6.507 -6.574 515 2HD2 ASN 67 2HD2 ASN 67 -2.449 -5.565 -7.976 516 H GLU 68 H GLU 68 -3.336 -11.627 -6.808 517 HA GLU 68 HA GLU 68 -3.253 -13.532 -5.591 518 1HB GLU 68 1HB GLU 68 -0.285 -13.397 -6.145 519 2HB GLU 68 2HB GLU 68 -1.139 -14.792 -5.502 520 1HG GLU 68 1HG GLU 68 -2.443 -14.947 -7.559 521 2HG GLU 68 2HG GLU 68 -1.589 -13.547 -8.205 522 H VAL 69 H VAL 69 -3.211 -11.030 -4.227 523 HA VAL 69 HA VAL 69 -1.546 -11.689 -1.884 524 HB VAL 69 HB VAL 69 -2.734 -9.011 -2.621 525 1HG1 VAL 69 1HG1 VAL 69 -0.794 -9.785 -0.439 526 2HG1 VAL 69 2HG1 VAL 69 -2.485 -9.331 -0.215 527 3HG1 VAL 69 3HG1 VAL 69 -1.330 -8.147 -0.820 528 1HG2 VAL 69 1HG2 VAL 69 -0.675 -10.159 -3.913 529 2HG2 VAL 69 2HG2 VAL 69 0.191 -9.412 -2.570 530 3HG2 VAL 69 3HG2 VAL 69 -0.801 -8.421 -3.638 531 H SER 70 H SER 70 -3.280 -13.241 -1.336 532 HA SER 70 HA SER 70 -5.789 -12.077 -0.442 533 1HB SER 70 1HB SER 70 -6.444 -14.398 0.063 534 2HB SER 70 2HB SER 70 -5.852 -14.237 -1.599 535 HG SER 70 HG SER 70 -5.043 -16.032 -0.103 536 H ALA 71 H ALA 71 -2.838 -12.057 0.843 537 HA ALA 71 HA ALA 71 -3.091 -13.142 3.414 538 1HB ALA 71 1HB ALA 71 -1.495 -10.670 3.101 539 2HB ALA 71 2HB ALA 71 -1.059 -12.040 2.078 540 3HB ALA 71 3HB ALA 71 -1.066 -12.216 3.833 541 H MET 72 H MET 72 -2.472 -10.887 5.097 542 HA MET 72 HA MET 72 -4.440 -8.892 4.944 543 1HB MET 72 1HB MET 72 -6.016 -9.607 6.633 544 2HB MET 72 2HB MET 72 -5.977 -10.760 5.309 545 1HG MET 72 1HG MET 72 -4.598 -11.091 7.956 546 2HG MET 72 2HG MET 72 -6.120 -11.836 7.494 547 1HE MET 72 1HE MET 72 -4.885 -13.471 4.206 548 2HE MET 72 2HE MET 72 -6.216 -12.703 5.071 549 3HE MET 72 3HE MET 72 -5.801 -14.384 5.404 550 HA PRO 73 HA PRO 73 -3.607 -7.286 4.746 551 1HB PRO 73 1HB PRO 73 -2.196 -5.103 5.031 552 2HB PRO 73 2HB PRO 73 -3.508 -5.413 6.188 553 1HG PRO 73 1HG PRO 73 -0.566 -5.919 6.496 554 2HG PRO 73 2HG PRO 73 -1.671 -5.111 7.616 555 1HD PRO 73 1HD PRO 73 -0.959 -7.779 7.771 556 2HD PRO 73 2HD PRO 73 -2.440 -7.084 8.470 557 H THR 74 H THR 74 -1.646 -5.761 3.451 558 HA THR 74 HA THR 74 0.781 -7.273 3.155 559 HB THR 74 HB THR 74 -1.146 -7.161 0.833 560 HG1 THR 74 HG1 THR 74 -0.203 -9.505 2.074 561 1HG2 THR 74 1HG2 THR 74 0.617 -7.491 -0.463 562 2HG2 THR 74 2HG2 THR 74 0.870 -9.031 0.357 563 3HG2 THR 74 3HG2 THR 74 1.688 -7.583 0.932 564 H LEU 75 H LEU 75 2.380 -6.158 1.981 565 HA LEU 75 HA LEU 75 1.693 -3.356 1.395 566 1HB LEU 75 1HB LEU 75 4.345 -4.575 2.167 567 2HB LEU 75 2HB LEU 75 4.099 -2.887 1.763 568 HG LEU 75 HG LEU 75 2.905 -4.336 4.126 569 1HD1 LEU 75 1HD1 LEU 75 5.274 -2.599 3.740 570 2HD1 LEU 75 2HD1 LEU 75 5.045 -3.986 4.805 571 3HD1 LEU 75 3HD1 LEU 75 4.343 -2.424 5.227 572 1HD2 LEU 75 1HD2 LEU 75 2.608 -1.505 3.149 573 2HD2 LEU 75 2HD2 LEU 75 2.209 -2.015 4.789 574 3HD2 LEU 75 3HD2 LEU 75 1.335 -2.696 3.417 575 H LEU 76 H LEU 76 1.753 -2.724 -0.659 576 HA LEU 76 HA LEU 76 3.467 -4.217 -2.534 577 1HB LEU 76 1HB LEU 76 0.745 -3.022 -3.081 578 2HB LEU 76 2HB LEU 76 1.790 -3.746 -4.300 579 HG LEU 76 HG LEU 76 0.306 -5.100 -2.064 580 1HD1 LEU 76 1HD1 LEU 76 -1.046 -5.826 -3.665 581 2HD1 LEU 76 2HD1 LEU 76 0.306 -6.347 -4.671 582 3HD1 LEU 76 3HD1 LEU 76 -0.255 -4.677 -4.744 583 1HD2 LEU 76 1HD2 LEU 76 2.186 -6.334 -1.782 584 2HD2 LEU 76 2HD2 LEU 76 2.823 -5.930 -3.376 585 3HD2 LEU 76 3HD2 LEU 76 1.571 -7.161 -3.213 586 H LEU 77 H LEU 77 4.888 -3.050 -3.650 587 HA LEU 77 HA LEU 77 4.644 -0.117 -3.550 588 1HB LEU 77 1HB LEU 77 7.091 -1.866 -3.810 589 2HB LEU 77 2HB LEU 77 7.113 -0.119 -3.923 590 HG LEU 77 HG LEU 77 6.281 0.022 -1.596 591 1HD1 LEU 77 1HD1 LEU 77 6.663 -2.238 -0.320 592 2HD1 LEU 77 2HD1 LEU 77 6.277 -2.940 -1.891 593 3HD1 LEU 77 3HD1 LEU 77 5.117 -1.882 -1.088 594 1HD2 LEU 77 1HD2 LEU 77 8.688 0.103 -2.113 595 2HD2 LEU 77 2HD2 LEU 77 8.777 -1.643 -1.891 596 3HD2 LEU 77 3HD2 LEU 77 8.361 -0.602 -0.531 597 H PHE 78 H PHE 78 4.954 1.107 -5.400 598 HA PHE 78 HA PHE 78 5.414 -0.281 -7.941 599 1HB PHE 78 1HB PHE 78 3.015 1.506 -7.457 600 2HB PHE 78 2HB PHE 78 3.427 0.690 -8.961 601 HD1 PHE 78 HD1 PHE 78 3.467 -1.864 -8.948 602 HD2 PHE 78 HD2 PHE 78 1.672 0.466 -5.873 603 HE1 PHE 78 HE1 PHE 78 2.151 -3.816 -8.237 604 HE2 PHE 78 HE2 PHE 78 0.355 -1.486 -5.160 605 HZ PHE 78 HZ PHE 78 0.597 -3.631 -6.344 606 H LYS 79 H LYS 79 6.802 0.904 -9.181 607 HA LYS 79 HA LYS 79 6.986 3.797 -8.600 608 1HB LYS 79 1HB LYS 79 9.097 1.821 -9.430 609 2HB LYS 79 2HB LYS 79 9.326 3.553 -9.633 610 1HG LYS 79 1HG LYS 79 9.014 3.865 -7.219 611 2HG LYS 79 2HG LYS 79 8.830 2.123 -7.027 612 1HD LYS 79 1HD LYS 79 11.273 3.535 -8.095 613 2HD LYS 79 2HD LYS 79 11.101 2.849 -6.478 614 1HE LYS 79 1HE LYS 79 10.809 0.625 -7.453 615 2HE LYS 79 2HE LYS 79 10.972 1.310 -9.069 616 1HZ LYS 79 1HZ LYS 79 13.127 1.855 -7.183 617 2HZ LYS 79 2HZ LYS 79 13.196 1.546 -8.844 618 3HZ LYS 79 3HZ LYS 79 13.004 0.267 -7.754 619 H ASN 80 H ASN 80 6.692 5.244 -10.202 620 HA ASN 80 HA ASN 80 5.952 6.042 -12.209 621 1HB ASN 80 1HB ASN 80 8.085 4.138 -13.192 622 2HB ASN 80 2HB ASN 80 7.387 5.455 -14.132 623 1HD2 ASN 80 1HD2 ASN 80 8.621 7.170 -14.218 624 2HD2 ASN 80 2HD2 ASN 80 9.691 7.728 -12.983 625 H GLY 81 H GLY 81 4.090 4.344 -11.428 626 1HA GLY 81 1HA GLY 81 2.350 3.048 -12.140 627 2HA GLY 81 2HA GLY 81 2.814 3.524 -13.769 628 H LYS 82 H LYS 82 5.252 1.923 -11.992 629 HA LYS 82 HA LYS 82 4.719 -0.557 -13.485 630 1HB LYS 82 1HB LYS 82 7.372 0.490 -12.476 631 2HB LYS 82 2HB LYS 82 7.126 -0.965 -13.430 632 1HG LYS 82 1HG LYS 82 6.624 1.857 -14.337 633 2HG LYS 82 2HG LYS 82 7.967 0.819 -14.817 634 1HD LYS 82 1HD LYS 82 6.390 -0.748 -15.838 635 2HD LYS 82 2HD LYS 82 5.045 0.288 -15.355 636 1HE LYS 82 1HE LYS 82 5.944 2.094 -16.740 637 2HE LYS 82 2HE LYS 82 7.288 1.059 -17.219 638 1HZ LYS 82 1HZ LYS 82 4.413 0.630 -17.824 639 2HZ LYS 82 2HZ LYS 82 5.636 -0.484 -18.178 640 3HZ LYS 82 3HZ LYS 82 5.634 1.032 -18.926 641 H GLU 83 H GLU 83 6.764 -1.969 -11.986 642 HA GLU 83 HA GLU 83 5.250 -2.407 -9.503 643 1HB GLU 83 1HB GLU 83 5.651 -4.225 -11.391 644 2HB GLU 83 2HB GLU 83 7.211 -4.388 -10.602 645 1HG GLU 83 1HG GLU 83 5.743 -6.050 -9.734 646 2HG GLU 83 2HG GLU 83 6.021 -4.859 -8.471 647 H VAL 84 H VAL 84 6.769 -3.423 -7.753 648 HA VAL 84 HA VAL 84 9.444 -2.325 -7.771 649 HB VAL 84 HB VAL 84 7.503 -1.582 -5.671 650 1HG1 VAL 84 1HG1 VAL 84 9.460 -1.682 -4.487 651 2HG1 VAL 84 2HG1 VAL 84 9.523 -0.023 -5.082 652 3HG1 VAL 84 3HG1 VAL 84 10.442 -1.288 -5.896 653 1HG2 VAL 84 1HG2 VAL 84 7.235 -0.382 -7.829 654 2HG2 VAL 84 2HG2 VAL 84 8.875 0.222 -7.627 655 3HG2 VAL 84 3HG2 VAL 84 7.623 0.658 -6.467 656 H ALA 85 H ALA 85 7.123 -3.626 -5.419 657 HA ALA 85 HA ALA 85 8.458 -6.114 -5.163 658 1HB ALA 85 1HB ALA 85 10.164 -4.820 -4.048 659 2HB ALA 85 2HB ALA 85 9.324 -5.826 -2.869 660 3HB ALA 85 3HB ALA 85 8.963 -4.104 -2.973 661 H LYS 86 H LYS 86 7.559 -7.438 -3.391 662 HA LYS 86 HA LYS 86 5.016 -6.451 -2.328 663 1HB LYS 86 1HB LYS 86 3.891 -8.560 -2.966 664 2HB LYS 86 2HB LYS 86 4.402 -7.621 -4.361 665 1HG LYS 86 1HG LYS 86 6.360 -9.081 -4.612 666 2HG LYS 86 2HG LYS 86 5.805 -10.038 -3.237 667 1HD LYS 86 1HD LYS 86 3.749 -10.586 -4.444 668 2HD LYS 86 2HD LYS 86 4.296 -9.621 -5.817 669 1HE LYS 86 1HE LYS 86 6.227 -11.102 -6.081 670 2HE LYS 86 2HE LYS 86 5.676 -12.066 -4.712 671 1HZ LYS 86 1HZ LYS 86 4.621 -11.927 -7.435 672 2HZ LYS 86 2HZ LYS 86 3.511 -12.175 -6.184 673 3HZ LYS 86 3HZ LYS 86 4.788 -13.259 -6.408 674 H VAL 87 H VAL 87 5.129 -6.682 -0.205 675 HA VAL 87 HA VAL 87 6.221 -9.178 0.890 676 HB VAL 87 HB VAL 87 6.859 -6.437 1.993 677 1HG1 VAL 87 1HG1 VAL 87 8.443 -8.713 2.900 678 2HG1 VAL 87 2HG1 VAL 87 6.740 -8.826 3.342 679 3HG1 VAL 87 3HG1 VAL 87 7.686 -7.417 3.825 680 1HG2 VAL 87 1HG2 VAL 87 8.332 -6.441 0.283 681 2HG2 VAL 87 2HG2 VAL 87 8.261 -8.192 0.083 682 3HG2 VAL 87 3HG2 VAL 87 9.253 -7.491 1.362 683 H VAL 88 H VAL 88 4.302 -10.010 1.564 684 HA VAL 88 HA VAL 88 2.153 -8.611 2.652 685 HB VAL 88 HB VAL 88 1.761 -10.829 1.908 686 1HG1 VAL 88 1HG1 VAL 88 3.844 -11.893 2.076 687 2HG1 VAL 88 2HG1 VAL 88 2.810 -12.776 3.200 688 3HG1 VAL 88 3HG1 VAL 88 3.962 -11.589 3.808 689 1HG2 VAL 88 1HG2 VAL 88 0.803 -11.948 3.920 690 2HG2 VAL 88 2HG2 VAL 88 0.334 -10.258 3.749 691 3HG2 VAL 88 3HG2 VAL 88 1.570 -10.716 4.919 692 H GLY 89 H GLY 89 2.058 -7.441 4.432 693 1HA GLY 89 1HA GLY 89 2.178 -7.952 6.979 694 2HA GLY 89 2HA GLY 89 3.903 -8.008 6.639 695 H ALA 90 H ALA 90 4.582 -6.254 7.738 696 HA ALA 90 HA ALA 90 4.965 -3.828 6.840 697 1HB ALA 90 1HB ALA 90 2.808 -3.203 6.244 698 2HB ALA 90 2HB ALA 90 3.017 -2.415 7.807 699 3HB ALA 90 3HB ALA 90 2.090 -3.912 7.692 700 H ASN 91 H ASN 91 5.814 -5.601 8.885 701 HA ASN 91 HA ASN 91 5.383 -4.269 11.405 702 1HB ASN 91 1HB ASN 91 7.066 -6.639 10.588 703 2HB ASN 91 2HB ASN 91 6.932 -6.045 12.229 704 1HD2 ASN 91 1HD2 ASN 91 5.840 -8.313 10.185 705 2HD2 ASN 91 2HD2 ASN 91 4.301 -8.650 10.892 706 HA PRO 92 HA PRO 92 8.710 -1.363 11.251 707 1HB PRO 92 1HB PRO 92 9.324 -2.457 13.969 708 2HB PRO 92 2HB PRO 92 9.193 -0.774 13.438 709 1HG PRO 92 1HG PRO 92 7.196 -1.866 14.772 710 2HG PRO 92 2HG PRO 92 6.864 -0.850 13.354 711 1HD PRO 92 1HD PRO 92 6.784 -3.828 13.607 712 2HD PRO 92 2HD PRO 92 5.717 -2.744 12.690 713 H ALA 93 H ALA 93 9.847 -2.664 9.637 714 HA ALA 93 HA ALA 93 12.480 -3.267 10.361 715 1HB ALA 93 1HB ALA 93 11.280 -5.849 9.589 716 2HB ALA 93 2HB ALA 93 10.937 -5.289 11.227 717 3HB ALA 93 3HB ALA 93 12.606 -5.495 10.697 718 H ALA 94 H ALA 94 9.836 -3.920 8.097 719 HA ALA 94 HA ALA 94 11.784 -3.615 5.913 720 1HB ALA 94 1HB ALA 94 9.676 -5.646 6.306 721 2HB ALA 94 2HB ALA 94 11.244 -5.775 5.510 722 3HB ALA 94 3HB ALA 94 9.886 -5.026 4.669 723 H ILE 95 H ILE 95 8.380 -3.136 6.834 724 HA ILE 95 HA ILE 95 7.494 -1.789 4.610 725 HB ILE 95 HB ILE 95 5.963 -2.337 6.355 726 1HG1 ILE 95 1HG1 ILE 95 4.707 -0.293 6.611 727 2HG1 ILE 95 2HG1 ILE 95 6.143 0.681 6.309 728 1HG2 ILE 95 1HG2 ILE 95 6.024 -1.031 8.526 729 2HG2 ILE 95 2HG2 ILE 95 7.658 -0.550 8.068 730 3HG2 ILE 95 3HG2 ILE 95 7.275 -2.254 8.302 731 1HD1 ILE 95 1HD1 ILE 95 4.304 -0.610 4.440 732 2HD1 ILE 95 2HD1 ILE 95 6.009 -0.805 4.039 733 3HD1 ILE 95 3HD1 ILE 95 5.329 0.809 4.233 734 H LYS 96 H LYS 96 9.919 -0.772 6.827 735 HA LYS 96 HA LYS 96 9.635 2.037 6.078 736 1HB LYS 96 1HB LYS 96 11.424 2.481 7.680 737 2HB LYS 96 2HB LYS 96 10.132 1.553 8.422 738 1HG LYS 96 1HG LYS 96 11.448 -0.472 8.264 739 2HG LYS 96 2HG LYS 96 12.729 0.404 7.424 740 1HD LYS 96 1HD LYS 96 13.265 0.098 9.790 741 2HD LYS 96 2HD LYS 96 13.080 1.805 9.385 742 1HE LYS 96 1HE LYS 96 11.992 1.319 11.497 743 2HE LYS 96 2HE LYS 96 10.794 1.755 10.278 744 1HZ LYS 96 1HZ LYS 96 10.113 -0.458 10.064 745 2HZ LYS 96 2HZ LYS 96 10.278 -0.227 11.733 746 3HZ LYS 96 3HZ LYS 96 11.473 -1.061 10.874 747 H GLN 97 H GLN 97 12.065 -0.542 5.883 748 HA GLN 97 HA GLN 97 13.875 0.961 4.294 749 1HB GLN 97 1HB GLN 97 13.620 -2.035 4.630 750 2HB GLN 97 2HB GLN 97 14.993 -1.205 3.908 751 1HG GLN 97 1HG GLN 97 15.431 -0.085 6.035 752 2HG GLN 97 2HG GLN 97 14.060 -0.922 6.755 753 1HE2 GLN 97 1HE2 GLN 97 15.394 -3.072 4.649 754 2HE2 GLN 97 2HE2 GLN 97 16.464 -3.895 5.722 755 H ALA 98 H ALA 98 11.162 -1.124 3.611 756 HA ALA 98 HA ALA 98 11.644 -1.598 0.882 757 1HB ALA 98 1HB ALA 98 9.981 -2.858 2.120 758 2HB ALA 98 2HB ALA 98 9.231 -2.069 0.733 759 3HB ALA 98 3HB ALA 98 9.017 -1.401 2.351 760 H ILE 99 H ILE 99 10.438 1.162 2.592 761 HA ILE 99 HA ILE 99 9.495 2.481 0.178 762 HB ILE 99 HB ILE 99 9.643 3.533 3.008 763 1HG1 ILE 99 1HG1 ILE 99 7.288 2.346 1.523 764 2HG1 ILE 99 2HG1 ILE 99 8.208 1.518 2.774 765 1HG2 ILE 99 1HG2 ILE 99 8.194 4.531 0.558 766 2HG2 ILE 99 2HG2 ILE 99 9.517 5.327 1.407 767 3HG2 ILE 99 3HG2 ILE 99 7.947 5.154 2.189 768 1HD1 ILE 99 1HD1 ILE 99 7.343 2.822 4.456 769 2HD1 ILE 99 2HD1 ILE 99 5.970 2.692 3.357 770 3HD1 ILE 99 3HD1 ILE 99 6.956 4.153 3.369 771 H ALA 100 H ALA 100 12.419 2.149 1.845 772 HA ALA 100 HA ALA 100 13.433 4.782 1.143 773 1HB ALA 100 1HB ALA 100 15.584 3.717 2.157 774 2HB ALA 100 2HB ALA 100 14.465 2.495 2.761 775 3HB ALA 100 3HB ALA 100 14.251 4.186 3.212 776 H ALA 101 H ALA 101 14.928 1.580 0.790 777 HA ALA 101 HA ALA 101 16.663 2.133 -1.237 778 1HB ALA 101 1HB ALA 101 16.999 0.032 -0.436 779 2HB ALA 101 2HB ALA 101 16.117 -0.378 -1.907 780 3HB ALA 101 3HB ALA 101 15.276 -0.336 -0.358 781 H ASN 102 H ASN 102 13.208 1.660 -1.498 782 HA ASN 102 HA ASN 102 13.318 1.547 -4.391 783 1HB ASN 102 1HB ASN 102 11.098 1.366 -2.363 784 2HB ASN 102 2HB ASN 102 10.792 1.457 -4.098 785 1HD2 ASN 102 1HD2 ASN 102 11.046 -0.609 -1.610 786 2HD2 ASN 102 2HD2 ASN 102 11.532 -2.042 -2.445 787 H ALA 103 H ALA 103 12.185 3.726 -1.837 788 HA ALA 103 HA ALA 103 11.691 5.788 -3.873 789 1HB ALA 103 1HB ALA 103 10.170 4.981 -1.682 790 2HB ALA 103 2HB ALA 103 9.909 6.401 -2.694 791 3HB ALA 103 3HB ALA 103 10.858 6.535 -1.214 Start of MODEL 20 1 1H MET 1 1H MET 1 0.814 11.549 3.143 2 2H MET 1 2H MET 1 0.608 12.224 4.706 3 3H MET 1 3H MET 1 0.392 13.203 3.312 4 HA MET 1 HA MET 1 -1.605 12.237 4.594 5 1HB MET 1 1HB MET 1 -2.881 12.399 2.545 6 2HB MET 1 2HB MET 1 -1.620 13.621 2.532 7 1HG MET 1 1HG MET 1 -1.404 10.973 1.123 8 2HG MET 1 2HG MET 1 -1.988 12.450 0.362 9 1HE MET 1 1HE MET 1 1.117 12.447 -1.508 10 2HE MET 1 2HE MET 1 -0.400 11.573 -1.297 11 3HE MET 1 3HE MET 1 1.116 10.848 -0.762 12 H VAL 2 H VAL 2 -3.308 10.585 3.443 13 HA VAL 2 HA VAL 2 -2.229 8.077 2.641 14 HB VAL 2 HB VAL 2 -1.635 8.033 5.054 15 1HG1 VAL 2 1HG1 VAL 2 -3.392 9.329 6.018 16 2HG1 VAL 2 2HG1 VAL 2 -3.496 7.700 6.685 17 3HG1 VAL 2 3HG1 VAL 2 -4.618 8.209 5.426 18 1HG2 VAL 2 1HG2 VAL 2 -3.768 5.982 4.709 19 2HG2 VAL 2 2HG2 VAL 2 -2.116 5.807 5.303 20 3HG2 VAL 2 3HG2 VAL 2 -2.416 6.010 3.577 21 H THR 3 H THR 3 -3.773 6.961 1.570 22 HA THR 3 HA THR 3 -6.569 7.265 2.298 23 HB THR 3 HB THR 3 -5.548 8.037 -0.441 24 HG1 THR 3 HG1 THR 3 -6.695 9.532 1.671 25 1HG2 THR 3 1HG2 THR 3 -8.309 7.610 0.600 26 2HG2 THR 3 2HG2 THR 3 -7.604 7.138 -0.945 27 3HG2 THR 3 3HG2 THR 3 -8.002 8.828 -0.638 28 H GLN 4 H GLN 4 -7.967 5.747 1.244 29 HA GLN 4 HA GLN 4 -6.548 3.301 0.460 30 1HB GLN 4 1HB GLN 4 -8.942 2.331 0.797 31 2HB GLN 4 2HB GLN 4 -7.963 2.732 2.200 32 1HG GLN 4 1HG GLN 4 -10.322 3.431 2.395 33 2HG GLN 4 2HG GLN 4 -9.174 4.758 2.551 34 1HE2 GLN 4 1HE2 GLN 4 -12.026 3.864 1.214 35 2HE2 GLN 4 2HE2 GLN 4 -12.108 4.992 -0.092 36 H PHE 5 H PHE 5 -8.362 1.916 -0.977 37 HA PHE 5 HA PHE 5 -9.196 3.664 -3.176 38 1HB PHE 5 1HB PHE 5 -7.484 1.191 -3.468 39 2HB PHE 5 2HB PHE 5 -8.299 1.998 -4.815 40 HD1 PHE 5 HD1 PHE 5 -7.848 4.839 -4.008 41 HD2 PHE 5 HD2 PHE 5 -5.241 1.469 -4.020 42 HE1 PHE 5 HE1 PHE 5 -5.921 6.339 -4.327 43 HE2 PHE 5 HE2 PHE 5 -3.315 2.969 -4.339 44 HZ PHE 5 HZ PHE 5 -3.651 5.399 -4.495 45 H LYS 6 H LYS 6 -11.351 3.380 -3.014 46 HA LYS 6 HA LYS 6 -12.481 0.743 -2.599 47 1HB LYS 6 1HB LYS 6 -13.674 3.487 -2.958 48 2HB LYS 6 2HB LYS 6 -14.673 2.040 -2.949 49 1HG LYS 6 1HG LYS 6 -12.851 2.906 -0.712 50 2HG LYS 6 2HG LYS 6 -14.601 3.142 -0.763 51 1HD LYS 6 1HD LYS 6 -14.887 0.687 -0.920 52 2HD LYS 6 2HD LYS 6 -13.141 0.501 -0.755 53 1HE LYS 6 1HE LYS 6 -14.978 1.776 1.270 54 2HE LYS 6 2HE LYS 6 -14.300 0.152 1.376 55 1HZ LYS 6 1HZ LYS 6 -12.517 1.008 2.335 56 2HZ LYS 6 2HZ LYS 6 -13.154 2.569 2.207 57 3HZ LYS 6 3HZ LYS 6 -12.196 1.944 0.963 58 H THR 7 H THR 7 -11.597 2.761 -5.226 59 HA THR 7 HA THR 7 -12.815 0.851 -7.093 60 HB THR 7 HB THR 7 -13.294 2.706 -8.654 61 HG1 THR 7 HG1 THR 7 -11.956 4.317 -8.060 62 1HG2 THR 7 1HG2 THR 7 -14.682 3.684 -6.256 63 2HG2 THR 7 2HG2 THR 7 -14.871 1.967 -6.613 64 3HG2 THR 7 3HG2 THR 7 -15.322 3.173 -7.818 65 H ALA 8 H ALA 8 -11.312 -0.048 -8.347 66 HA ALA 8 HA ALA 8 -8.613 0.551 -8.226 67 1HB ALA 8 1HB ALA 8 -8.533 -0.739 -10.472 68 2HB ALA 8 2HB ALA 8 -10.258 -0.980 -10.200 69 3HB ALA 8 3HB ALA 8 -9.088 -1.574 -9.022 70 H SER 9 H SER 9 -11.078 2.003 -10.163 71 HA SER 9 HA SER 9 -9.592 3.116 -12.237 72 1HB SER 9 1HB SER 9 -12.086 3.227 -11.998 73 2HB SER 9 2HB SER 9 -11.862 4.448 -10.741 74 HG SER 9 HG SER 9 -11.368 4.624 -13.504 75 H GLU 10 H GLU 10 -9.643 3.833 -8.866 76 HA GLU 10 HA GLU 10 -8.394 6.410 -9.196 77 1HB GLU 10 1HB GLU 10 -10.128 6.097 -7.489 78 2HB GLU 10 2HB GLU 10 -9.122 4.892 -6.697 79 1HG GLU 10 1HG GLU 10 -9.023 7.036 -5.569 80 2HG GLU 10 2HG GLU 10 -7.451 6.570 -6.215 81 H PHE 11 H PHE 11 -7.579 3.185 -8.182 82 HA PHE 11 HA PHE 11 -4.982 3.838 -7.205 83 1HB PHE 11 1HB PHE 11 -6.381 1.821 -6.543 84 2HB PHE 11 2HB PHE 11 -5.934 1.115 -8.091 85 HD1 PHE 11 HD1 PHE 11 -5.232 -0.626 -6.194 86 HD2 PHE 11 HD2 PHE 11 -3.201 3.017 -7.055 87 HE1 PHE 11 HE1 PHE 11 -3.182 -1.522 -5.167 88 HE2 PHE 11 HE2 PHE 11 -1.154 2.121 -6.039 89 HZ PHE 11 HZ PHE 11 -1.146 -0.147 -5.090 90 H ASP 12 H ASP 12 -6.324 3.130 -10.310 91 HA ASP 12 HA ASP 12 -4.089 2.142 -11.659 92 1HB ASP 12 1HB ASP 12 -6.352 2.152 -12.618 93 2HB ASP 12 2HB ASP 12 -6.300 3.909 -12.731 94 H SER 13 H SER 13 -5.301 5.484 -11.943 95 HA SER 13 HA SER 13 -3.004 6.546 -13.095 96 1HB SER 13 1HB SER 13 -5.149 7.720 -13.110 97 2HB SER 13 2HB SER 13 -5.055 7.944 -11.363 98 HG SER 13 HG SER 13 -3.900 9.382 -13.357 99 H ALA 14 H ALA 14 -3.641 5.742 -9.795 100 HA ALA 14 HA ALA 14 -1.980 7.443 -8.394 101 1HB ALA 14 1HB ALA 14 -2.157 5.986 -6.632 102 2HB ALA 14 2HB ALA 14 -2.022 4.557 -7.656 103 3HB ALA 14 3HB ALA 14 -3.526 5.478 -7.619 104 H ILE 15 H ILE 15 -1.040 4.161 -9.436 105 HA ILE 15 HA ILE 15 1.697 4.488 -8.925 106 HB ILE 15 HB ILE 15 2.040 2.492 -10.311 107 1HG1 ILE 15 1HG1 ILE 15 -0.907 2.806 -10.935 108 2HG1 ILE 15 2HG1 ILE 15 0.421 2.920 -12.084 109 1HG2 ILE 15 1HG2 ILE 15 0.733 0.975 -8.945 110 2HG2 ILE 15 2HG2 ILE 15 -0.362 2.284 -8.499 111 3HG2 ILE 15 3HG2 ILE 15 1.320 2.321 -7.968 112 1HD1 ILE 15 1HD1 ILE 15 -0.104 0.424 -10.511 113 2HD1 ILE 15 2HD1 ILE 15 0.856 0.624 -11.978 114 3HD1 ILE 15 3HD1 ILE 15 -0.901 0.760 -12.048 115 H ALA 16 H ALA 16 -0.109 4.804 -11.968 116 HA ALA 16 HA ALA 16 1.809 5.166 -13.819 117 1HB ALA 16 1HB ALA 16 -0.659 5.351 -14.164 118 2HB ALA 16 2HB ALA 16 0.304 6.513 -15.076 119 3HB ALA 16 3HB ALA 16 -0.548 7.023 -13.618 120 H GLN 17 H GLN 17 3.733 6.084 -13.271 121 HA GLN 17 HA GLN 17 5.259 7.664 -12.627 122 1HB GLN 17 1HB GLN 17 3.371 9.277 -14.341 123 2HB GLN 17 2HB GLN 17 4.960 9.835 -13.837 124 1HG GLN 17 1HG GLN 17 5.992 7.950 -15.001 125 2HG GLN 17 2HG GLN 17 4.391 7.401 -15.516 126 1HE2 GLN 17 1HE2 GLN 17 4.028 7.857 -17.549 127 2HE2 GLN 17 2HE2 GLN 17 4.520 9.283 -18.388 128 H ASP 18 H ASP 18 4.914 7.741 -10.389 129 HA ASP 18 HA ASP 18 4.143 10.291 -9.425 130 1HB ASP 18 1HB ASP 18 1.906 9.261 -9.747 131 2HB ASP 18 2HB ASP 18 2.362 7.982 -8.626 132 H LYS 19 H LYS 19 6.475 8.699 -9.249 133 HA LYS 19 HA LYS 19 8.094 8.242 -7.698 134 1HB LYS 19 1HB LYS 19 6.003 9.345 -5.836 135 2HB LYS 19 2HB LYS 19 7.634 8.952 -5.331 136 1HG LYS 19 1HG LYS 19 8.568 10.702 -6.468 137 2HG LYS 19 2HG LYS 19 7.240 10.801 -7.628 138 1HD LYS 19 1HD LYS 19 7.130 11.623 -4.725 139 2HD LYS 19 2HD LYS 19 7.242 12.712 -6.104 140 1HE LYS 19 1HE LYS 19 5.082 11.852 -6.925 141 2HE LYS 19 2HE LYS 19 4.963 10.833 -5.491 142 1HZ LYS 19 1HZ LYS 19 4.710 13.747 -5.723 143 2HZ LYS 19 2HZ LYS 19 5.282 13.093 -4.272 144 3HZ LYS 19 3HZ LYS 19 3.759 12.650 -4.856 145 H LEU 20 H LEU 20 7.684 7.213 -5.041 146 HA LEU 20 HA LEU 20 6.908 4.497 -5.775 147 1HB LEU 20 1HB LEU 20 9.121 4.820 -4.790 148 2HB LEU 20 2HB LEU 20 8.391 5.578 -3.374 149 HG LEU 20 HG LEU 20 7.209 3.374 -2.960 150 1HD1 LEU 20 1HD1 LEU 20 8.275 1.387 -3.959 151 2HD1 LEU 20 2HD1 LEU 20 9.192 2.446 -5.028 152 3HD1 LEU 20 3HD1 LEU 20 7.433 2.383 -5.146 153 1HD2 LEU 20 1HD2 LEU 20 9.042 4.000 -1.574 154 2HD2 LEU 20 2HD2 LEU 20 10.211 3.579 -2.825 155 3HD2 LEU 20 3HD2 LEU 20 9.279 2.312 -2.026 156 H VAL 21 H VAL 21 4.882 3.970 -5.385 157 HA VAL 21 HA VAL 21 3.470 5.174 -3.119 158 HB VAL 21 HB VAL 21 2.345 3.587 -5.430 159 1HG1 VAL 21 1HG1 VAL 21 0.189 4.593 -4.681 160 2HG1 VAL 21 2HG1 VAL 21 1.022 5.178 -3.241 161 3HG1 VAL 21 3HG1 VAL 21 0.887 3.445 -3.539 162 1HG2 VAL 21 1HG2 VAL 21 2.833 5.446 -6.591 163 2HG2 VAL 21 2HG2 VAL 21 3.059 6.419 -5.139 164 3HG2 VAL 21 3HG2 VAL 21 1.434 6.123 -5.757 165 H VAL 22 H VAL 22 3.093 4.040 -1.339 166 HA VAL 22 HA VAL 22 3.467 1.125 -1.411 167 HB VAL 22 HB VAL 22 3.430 2.964 0.989 168 1HG1 VAL 22 1HG1 VAL 22 2.731 0.597 1.382 169 2HG1 VAL 22 2HG1 VAL 22 4.175 1.089 2.267 170 3HG1 VAL 22 3HG1 VAL 22 4.325 0.092 0.820 171 1HG2 VAL 22 1HG2 VAL 22 5.919 1.593 0.217 172 2HG2 VAL 22 2HG2 VAL 22 5.665 3.222 0.845 173 3HG2 VAL 22 3HG2 VAL 22 5.395 2.884 -0.864 174 H VAL 23 H VAL 23 1.495 0.320 -1.976 175 HA VAL 23 HA VAL 23 -0.847 1.247 -0.466 176 HB VAL 23 HB VAL 23 -0.803 -0.412 -2.987 177 1HG1 VAL 23 1HG1 VAL 23 -3.048 1.036 -1.586 178 2HG1 VAL 23 2HG1 VAL 23 -2.823 -0.711 -1.663 179 3HG1 VAL 23 3HG1 VAL 23 -3.174 0.199 -3.132 180 1HG2 VAL 23 1HG2 VAL 23 -0.526 2.461 -2.547 181 2HG2 VAL 23 2HG2 VAL 23 -1.832 2.037 -3.651 182 3HG2 VAL 23 3HG2 VAL 23 -0.188 1.495 -3.982 183 H ASP 24 H ASP 24 -1.878 -0.030 0.916 184 HA ASP 24 HA ASP 24 -0.898 -2.766 1.261 185 1HB ASP 24 1HB ASP 24 -0.775 -1.342 3.239 186 2HB ASP 24 2HB ASP 24 -2.502 -0.979 3.109 187 H PHE 25 H PHE 25 -2.182 -4.512 0.899 188 HA PHE 25 HA PHE 25 -4.894 -4.020 -0.057 189 1HB PHE 25 1HB PHE 25 -2.925 -6.281 -0.359 190 2HB PHE 25 2HB PHE 25 -4.623 -6.477 -0.788 191 HD1 PHE 25 HD1 PHE 25 -2.091 -3.776 -1.374 192 HD2 PHE 25 HD2 PHE 25 -4.923 -6.488 -3.016 193 HE1 PHE 25 HE1 PHE 25 -1.589 -2.920 -3.629 194 HE2 PHE 25 HE2 PHE 25 -4.446 -5.628 -5.264 195 HZ PHE 25 HZ PHE 25 -2.783 -3.839 -5.579 196 H TYR 26 H TYR 26 -4.764 -3.723 2.619 197 HA TYR 26 HA TYR 26 -4.973 -5.900 4.285 198 1HB TYR 26 1HB TYR 26 -6.578 -4.427 5.626 199 2HB TYR 26 2HB TYR 26 -4.969 -3.788 5.316 200 HD1 TYR 26 HD1 TYR 26 -8.246 -3.817 3.490 201 HD2 TYR 26 HD2 TYR 26 -4.949 -1.527 4.901 202 HE1 TYR 26 HE1 TYR 26 -9.241 -1.801 2.515 203 HE2 TYR 26 HE2 TYR 26 -5.950 0.503 3.948 204 HH TYR 26 HH TYR 26 -8.529 1.179 3.337 205 H ALA 27 H ALA 27 -6.631 -7.228 5.011 206 HA ALA 27 HA ALA 27 -8.473 -8.116 3.096 207 1HB ALA 27 1HB ALA 27 -8.025 -8.654 5.983 208 2HB ALA 27 2HB ALA 27 -8.050 -9.766 4.612 209 3HB ALA 27 3HB ALA 27 -9.562 -9.152 5.279 210 H THR 28 H THR 28 -10.863 -8.219 3.424 211 HA THR 28 HA THR 28 -11.827 -5.546 4.086 212 HB THR 28 HB THR 28 -12.464 -6.250 1.906 213 HG1 THR 28 HG1 THR 28 -14.169 -5.450 3.544 214 1HG2 THR 28 1HG2 THR 28 -13.806 -8.242 1.463 215 2HG2 THR 28 2HG2 THR 28 -13.615 -8.736 3.146 216 3HG2 THR 28 3HG2 THR 28 -12.208 -8.649 2.087 217 H TRP 29 H TRP 29 -11.205 -7.748 6.057 218 HA TRP 29 HA TRP 29 -13.674 -7.532 7.575 219 1HB TRP 29 1HB TRP 29 -13.416 -10.047 8.115 220 2HB TRP 29 2HB TRP 29 -14.125 -9.581 6.562 221 HD1 TRP 29 HD1 TRP 29 -12.611 -9.913 4.364 222 HE1 TRP 29 HE1 TRP 29 -10.617 -11.466 3.892 223 HE3 TRP 29 HE3 TRP 29 -11.387 -11.136 9.171 224 HZ2 TRP 29 HZ2 TRP 29 -8.763 -12.992 5.357 225 HZ3 TRP 29 HZ3 TRP 29 -9.482 -12.641 9.553 226 HH2 TRP 29 HH2 TRP 29 -8.199 -13.556 7.685 227 H CYS 30 H CYS 30 -10.333 -8.784 7.533 228 HA CYS 30 HA CYS 30 -9.862 -9.285 10.156 229 1HB CYS 30 1HB CYS 30 -8.168 -9.487 8.335 230 2HB CYS 30 2HB CYS 30 -7.942 -7.737 8.403 231 HG CYS 30 HG CYS 30 -6.209 -9.272 9.886 232 H GLY 31 H GLY 31 -8.924 -8.071 11.916 233 1HA GLY 31 1HA GLY 31 -10.145 -5.429 12.134 234 2HA GLY 31 2HA GLY 31 -9.522 -6.394 13.459 235 HA PRO 32 HA PRO 32 -5.668 -4.314 13.809 236 1HB PRO 32 1HB PRO 32 -3.840 -6.195 12.741 237 2HB PRO 32 2HB PRO 32 -4.275 -5.976 14.438 238 1HG PRO 32 1HG PRO 32 -5.292 -7.946 12.459 239 2HG PRO 32 2HG PRO 32 -5.081 -8.113 14.211 240 1HD PRO 32 1HD PRO 32 -7.509 -7.812 13.133 241 2HD PRO 32 2HD PRO 32 -7.092 -7.043 14.679 242 H CYS 33 H CYS 33 -6.357 -5.793 10.707 243 HA CYS 33 HA CYS 33 -4.376 -4.524 9.179 244 1HB CYS 33 1HB CYS 33 -7.119 -5.538 8.434 245 2HB CYS 33 2HB CYS 33 -5.967 -4.901 7.255 246 HG CYS 33 HG CYS 33 -4.485 -6.928 7.592 247 H LYS 34 H LYS 34 -7.840 -3.631 9.353 248 HA LYS 34 HA LYS 34 -7.611 -1.210 8.019 249 1HB LYS 34 1HB LYS 34 -9.750 -0.589 9.075 250 2HB LYS 34 2HB LYS 34 -9.770 -2.226 8.436 251 1HG LYS 34 1HG LYS 34 -9.463 -3.129 10.661 252 2HG LYS 34 2HG LYS 34 -9.360 -1.499 11.328 253 1HD LYS 34 1HD LYS 34 -11.651 -1.057 10.575 254 2HD LYS 34 2HD LYS 34 -11.749 -2.693 9.921 255 1HE LYS 34 1HE LYS 34 -11.417 -3.607 12.168 256 2HE LYS 34 2HE LYS 34 -11.318 -1.972 12.819 257 1HZ LYS 34 1HZ LYS 34 -13.618 -1.661 11.830 258 2HZ LYS 34 2HZ LYS 34 -13.505 -2.649 13.197 259 3HZ LYS 34 3HZ LYS 34 -13.669 -3.344 11.665 260 H MET 35 H MET 35 -6.650 -1.999 11.233 261 HA MET 35 HA MET 35 -6.670 0.695 12.237 262 1HB MET 35 1HB MET 35 -6.847 -1.264 13.729 263 2HB MET 35 2HB MET 35 -5.228 -1.760 13.260 264 1HG MET 35 1HG MET 35 -5.271 -0.653 15.439 265 2HG MET 35 2HG MET 35 -4.285 0.219 14.269 266 1HE MET 35 1HE MET 35 -8.381 1.430 15.905 267 2HE MET 35 2HE MET 35 -7.689 -0.190 15.826 268 3HE MET 35 3HE MET 35 -8.406 0.533 14.386 269 H ILE 36 H ILE 36 -4.903 -0.654 9.875 270 HA ILE 36 HA ILE 36 -2.298 0.392 10.566 271 HB ILE 36 HB ILE 36 -3.350 -0.935 8.070 272 1HG1 ILE 36 1HG1 ILE 36 -1.538 -1.917 10.284 273 2HG1 ILE 36 2HG1 ILE 36 -3.207 -2.410 10.013 274 1HG2 ILE 36 1HG2 ILE 36 -0.880 0.517 8.552 275 2HG2 ILE 36 2HG2 ILE 36 -1.606 -0.026 7.037 276 3HG2 ILE 36 3HG2 ILE 36 -0.615 -1.133 7.989 277 1HD1 ILE 36 1HD1 ILE 36 -2.661 -3.629 8.113 278 2HD1 ILE 36 2HD1 ILE 36 -1.337 -3.961 9.231 279 3HD1 ILE 36 3HD1 ILE 36 -1.113 -2.807 7.916 280 H ALA 37 H ALA 37 -5.137 1.523 9.020 281 HA ALA 37 HA ALA 37 -4.235 3.264 7.089 282 1HB ALA 37 1HB ALA 37 -6.609 2.803 7.605 283 2HB ALA 37 2HB ALA 37 -6.261 4.523 7.426 284 3HB ALA 37 3HB ALA 37 -6.469 3.829 9.033 285 HA PRO 38 HA PRO 38 -3.431 6.621 10.446 286 1HB PRO 38 1HB PRO 38 -3.009 5.793 12.997 287 2HB PRO 38 2HB PRO 38 -4.610 6.236 12.381 288 1HG PRO 38 1HG PRO 38 -3.425 3.538 12.826 289 2HG PRO 38 2HG PRO 38 -5.091 4.089 13.068 290 1HD PRO 38 1HD PRO 38 -4.228 2.644 10.900 291 2HD PRO 38 2HD PRO 38 -5.657 3.682 10.892 292 H MET 39 H MET 39 -1.945 3.455 10.969 293 HA MET 39 HA MET 39 0.628 4.423 11.669 294 1HB MET 39 1HB MET 39 -0.060 2.109 12.110 295 2HB MET 39 2HB MET 39 -0.180 1.796 10.391 296 1HG MET 39 1HG MET 39 2.198 2.167 10.179 297 2HG MET 39 2HG MET 39 2.323 2.490 11.899 298 1HE MET 39 1HE MET 39 1.150 -1.605 10.122 299 2HE MET 39 2HE MET 39 1.492 -0.171 9.154 300 3HE MET 39 3HE MET 39 0.048 -0.229 10.164 301 H ILE 40 H ILE 40 -0.745 3.218 8.626 302 HA ILE 40 HA ILE 40 1.371 3.561 6.907 303 HB ILE 40 HB ILE 40 -1.580 4.032 6.433 304 1HG1 ILE 40 1HG1 ILE 40 0.222 1.700 5.760 305 2HG1 ILE 40 2HG1 ILE 40 -0.930 1.762 7.085 306 1HG2 ILE 40 1HG2 ILE 40 -1.105 3.825 4.034 307 2HG2 ILE 40 2HG2 ILE 40 0.623 3.789 4.380 308 3HG2 ILE 40 3HG2 ILE 40 -0.316 5.239 4.731 309 1HD1 ILE 40 1HD1 ILE 40 -2.687 1.347 5.748 310 2HD1 ILE 40 2HD1 ILE 40 -1.452 0.697 4.667 311 3HD1 ILE 40 3HD1 ILE 40 -2.049 2.341 4.440 312 H GLU 41 H GLU 41 -0.662 5.968 8.379 313 HA GLU 41 HA GLU 41 0.143 8.135 6.684 314 1HB GLU 41 1HB GLU 41 -2.014 8.176 7.801 315 2HB GLU 41 2HB GLU 41 -1.238 8.080 9.374 316 1HG GLU 41 1HG GLU 41 -0.224 10.273 9.004 317 2HG GLU 41 2HG GLU 41 -1.002 10.365 7.425 318 H LYS 42 H LYS 42 1.170 6.798 9.755 319 HA LYS 42 HA LYS 42 2.798 8.928 10.604 320 1HB LYS 42 1HB LYS 42 2.949 5.969 11.201 321 2HB LYS 42 2HB LYS 42 3.898 7.193 12.035 322 1HG LYS 42 1HG LYS 42 1.845 8.237 12.832 323 2HG LYS 42 2HG LYS 42 0.899 7.005 11.991 324 1HD LYS 42 1HD LYS 42 1.946 5.267 13.352 325 2HD LYS 42 2HD LYS 42 2.902 6.493 14.188 326 1HE LYS 42 1HE LYS 42 0.853 7.534 15.001 327 2HE LYS 42 2HE LYS 42 -0.102 6.315 14.163 328 1HZ LYS 42 1HZ LYS 42 0.765 6.155 16.729 329 2HZ LYS 42 2HZ LYS 42 1.883 5.189 15.904 330 3HZ LYS 42 3HZ LYS 42 0.228 4.851 15.792 331 H PHE 43 H PHE 43 3.284 6.506 8.185 332 HA PHE 43 HA PHE 43 6.162 6.898 8.150 333 1HB PHE 43 1HB PHE 43 4.354 5.152 6.479 334 2HB PHE 43 2HB PHE 43 6.102 5.239 6.275 335 HD1 PHE 43 HD1 PHE 43 3.678 4.802 9.082 336 HD2 PHE 43 HD2 PHE 43 7.290 3.535 7.223 337 HE1 PHE 43 HE1 PHE 43 3.961 3.080 10.817 338 HE2 PHE 43 HE2 PHE 43 7.578 1.807 8.952 339 HZ PHE 43 HZ PHE 43 5.912 1.578 10.752 340 H SER 44 H SER 44 3.373 8.098 6.531 341 HA SER 44 HA SER 44 4.608 8.882 4.107 342 1HB SER 44 1HB SER 44 2.645 10.358 3.817 343 2HB SER 44 2HB SER 44 2.176 8.721 4.308 344 HG SER 44 HG SER 44 1.583 9.451 6.237 345 H GLU 45 H GLU 45 5.098 10.013 7.230 346 HA GLU 45 HA GLU 45 5.643 12.758 6.455 347 1HB GLU 45 1HB GLU 45 6.019 11.346 9.102 348 2HB GLU 45 2HB GLU 45 6.233 13.069 8.831 349 1HG GLU 45 1HG GLU 45 3.875 13.271 8.231 350 2HG GLU 45 2HG GLU 45 3.660 11.542 8.502 351 H GLN 46 H GLN 46 7.351 9.778 6.953 352 HA GLN 46 HA GLN 46 9.940 11.099 7.044 353 1HB GLN 46 1HB GLN 46 9.198 8.174 7.108 354 2HB GLN 46 2HB GLN 46 10.835 8.800 7.271 355 1HG GLN 46 1HG GLN 46 10.179 9.999 9.285 356 2HG GLN 46 2HG GLN 46 8.539 9.379 9.123 357 1HE2 GLN 46 1HE2 GLN 46 8.116 7.760 10.422 358 2HE2 GLN 46 2HE2 GLN 46 9.247 6.546 10.957 359 H TYR 47 H TYR 47 7.936 9.358 4.763 360 HA TYR 47 HA TYR 47 10.059 9.724 2.745 361 1HB TYR 47 1HB TYR 47 8.012 7.506 2.897 362 2HB TYR 47 2HB TYR 47 9.177 7.728 1.596 363 HD1 TYR 47 HD1 TYR 47 11.685 7.738 2.292 364 HD2 TYR 47 HD2 TYR 47 8.555 6.187 4.713 365 HE1 TYR 47 HE1 TYR 47 13.327 6.397 3.541 366 HE2 TYR 47 HE2 TYR 47 10.185 4.830 5.966 367 HH TYR 47 HH TYR 47 12.605 4.867 6.470 368 HA PRO 48 HA PRO 48 5.864 12.123 2.043 369 1HB PRO 48 1HB PRO 48 8.097 13.968 1.306 370 2HB PRO 48 2HB PRO 48 6.512 14.347 1.990 371 1HG PRO 48 1HG PRO 48 8.727 14.251 3.512 372 2HG PRO 48 2HG PRO 48 7.140 13.761 4.124 373 1HD PRO 48 1HD PRO 48 9.491 12.107 3.509 374 2HD PRO 48 2HD PRO 48 8.064 11.723 4.497 375 H GLN 49 H GLN 49 8.826 11.600 0.227 376 HA GLN 49 HA GLN 49 7.789 12.318 -2.308 377 1HB GLN 49 1HB GLN 49 10.083 10.466 -1.645 378 2HB GLN 49 2HB GLN 49 9.736 11.117 -3.243 379 1HG GLN 49 1HG GLN 49 10.416 12.753 -0.809 380 2HG GLN 49 2HG GLN 49 11.546 12.308 -2.082 381 1HE2 GLN 49 1HE2 GLN 49 8.874 12.738 -3.812 382 2HE2 GLN 49 2HE2 GLN 49 8.964 14.428 -4.137 383 H ALA 50 H ALA 50 7.282 9.579 -0.358 384 HA ALA 50 HA ALA 50 6.371 7.987 -2.649 385 1HB ALA 50 1HB ALA 50 7.372 6.317 -1.576 386 2HB ALA 50 2HB ALA 50 6.138 6.447 -0.323 387 3HB ALA 50 3HB ALA 50 7.657 7.328 -0.158 388 H ASP 51 H ASP 51 4.256 7.371 -2.854 389 HA ASP 51 HA ASP 51 2.352 8.829 -1.209 390 1HB ASP 51 1HB ASP 51 1.909 7.119 -3.665 391 2HB ASP 51 2HB ASP 51 0.680 8.089 -2.859 392 H PHE 52 H PHE 52 1.412 7.953 0.484 393 HA PHE 52 HA PHE 52 1.508 5.051 0.806 394 1HB PHE 52 1HB PHE 52 0.980 7.277 2.781 395 2HB PHE 52 2HB PHE 52 0.901 5.556 3.184 396 HD1 PHE 52 HD1 PHE 52 3.255 7.894 1.462 397 HD2 PHE 52 HD2 PHE 52 2.743 4.677 4.199 398 HE1 PHE 52 HE1 PHE 52 5.678 7.874 1.886 399 HE2 PHE 52 HE2 PHE 52 5.164 4.652 4.628 400 HZ PHE 52 HZ PHE 52 6.634 6.252 3.473 401 H TYR 53 H TYR 53 -0.186 4.573 -0.638 402 HA TYR 53 HA TYR 53 -2.866 5.436 0.174 403 1HB TYR 53 1HB TYR 53 -1.765 4.194 -2.336 404 2HB TYR 53 2HB TYR 53 -3.493 4.199 -2.009 405 HD1 TYR 53 HD1 TYR 53 -4.494 6.559 -1.399 406 HD2 TYR 53 HD2 TYR 53 -0.858 5.962 -3.522 407 HE1 TYR 53 HE1 TYR 53 -4.681 8.820 -2.340 408 HE2 TYR 53 HE2 TYR 53 -1.030 8.226 -4.467 409 HH TYR 53 HH TYR 53 -2.425 10.533 -3.475 410 H LYS 54 H LYS 54 -4.472 3.422 -0.532 411 HA LYS 54 HA LYS 54 -3.457 0.933 0.556 412 1HB LYS 54 1HB LYS 54 -5.825 2.289 1.851 413 2HB LYS 54 2HB LYS 54 -5.079 0.771 2.325 414 1HG LYS 54 1HG LYS 54 -3.010 1.990 2.874 415 2HG LYS 54 2HG LYS 54 -3.831 3.502 2.488 416 1HD LYS 54 1HD LYS 54 -4.583 1.550 4.665 417 2HD LYS 54 2HD LYS 54 -3.845 3.136 4.884 418 1HE LYS 54 1HE LYS 54 -6.560 2.625 3.673 419 2HE LYS 54 2HE LYS 54 -6.264 3.160 5.327 420 1HZ LYS 54 1HZ LYS 54 -6.003 5.249 4.658 421 2HZ LYS 54 2HZ LYS 54 -6.642 4.773 3.166 422 3HZ LYS 54 3HZ LYS 54 -4.967 4.821 3.391 423 H LEU 55 H LEU 55 -4.569 -0.850 -0.119 424 HA LEU 55 HA LEU 55 -6.623 -0.356 -2.146 425 1HB LEU 55 1HB LEU 55 -4.505 -1.630 -2.684 426 2HB LEU 55 2HB LEU 55 -5.093 -2.901 -1.631 427 HG LEU 55 HG LEU 55 -5.491 -3.363 -4.027 428 1HD1 LEU 55 1HD1 LEU 55 -7.120 -3.885 -1.940 429 2HD1 LEU 55 2HD1 LEU 55 -7.389 -4.478 -3.580 430 3HD1 LEU 55 3HD1 LEU 55 -8.230 -3.035 -3.015 431 1HD2 LEU 55 1HD2 LEU 55 -6.700 -2.023 -5.410 432 2HD2 LEU 55 2HD2 LEU 55 -6.025 -0.787 -4.349 433 3HD2 LEU 55 3HD2 LEU 55 -7.674 -1.359 -4.098 434 H ASP 56 H ASP 56 -8.677 -0.976 -1.886 435 HA ASP 56 HA ASP 56 -9.448 -2.178 0.620 436 1HB ASP 56 1HB ASP 56 -10.966 -0.923 -1.662 437 2HB ASP 56 2HB ASP 56 -11.765 -1.701 -0.305 438 H VAL 57 H VAL 57 -9.540 -4.301 0.816 439 HA VAL 57 HA VAL 57 -9.787 -6.059 -1.448 440 HB VAL 57 HB VAL 57 -9.699 -6.599 1.533 441 1HG1 VAL 57 1HG1 VAL 57 -9.827 -8.534 -0.782 442 2HG1 VAL 57 2HG1 VAL 57 -10.901 -8.436 0.612 443 3HG1 VAL 57 3HG1 VAL 57 -9.237 -8.983 0.820 444 1HG2 VAL 57 1HG2 VAL 57 -7.640 -7.134 -0.616 445 2HG2 VAL 57 2HG2 VAL 57 -7.440 -7.314 1.128 446 3HG2 VAL 57 3HG2 VAL 57 -7.645 -5.711 0.425 447 H ASP 58 H ASP 58 -11.997 -4.261 0.218 448 HA ASP 58 HA ASP 58 -14.129 -6.191 0.383 449 1HB ASP 58 1HB ASP 58 -13.932 -4.283 1.970 450 2HB ASP 58 2HB ASP 58 -14.227 -3.178 0.636 451 H GLU 59 H GLU 59 -13.574 -3.220 -1.506 452 HA GLU 59 HA GLU 59 -15.690 -3.974 -3.349 453 1HB GLU 59 1HB GLU 59 -15.507 -1.640 -2.573 454 2HB GLU 59 2HB GLU 59 -13.912 -1.527 -3.305 455 1HG GLU 59 1HG GLU 59 -15.578 -0.472 -4.708 456 2HG GLU 59 2HG GLU 59 -14.900 -1.887 -5.512 457 H LEU 60 H LEU 60 -12.208 -3.898 -3.208 458 HA LEU 60 HA LEU 60 -12.085 -4.659 -6.047 459 1HB LEU 60 1HB LEU 60 -9.903 -3.621 -4.239 460 2HB LEU 60 2HB LEU 60 -9.682 -4.097 -5.910 461 HG LEU 60 HG LEU 60 -11.268 -2.300 -6.585 462 1HD1 LEU 60 1HD1 LEU 60 -11.273 -0.538 -4.513 463 2HD1 LEU 60 2HD1 LEU 60 -11.512 -2.072 -3.679 464 3HD1 LEU 60 3HD1 LEU 60 -12.623 -1.581 -4.959 465 1HD2 LEU 60 1HD2 LEU 60 -9.535 -0.908 -6.827 466 2HD2 LEU 60 2HD2 LEU 60 -8.604 -2.133 -5.967 467 3HD2 LEU 60 3HD2 LEU 60 -9.288 -0.767 -5.086 468 H GLY 61 H GLY 61 -12.980 -6.683 -4.608 469 1HA GLY 61 1HA GLY 61 -11.042 -8.309 -3.349 470 2HA GLY 61 2HA GLY 61 -12.584 -8.858 -3.987 471 H ASP 62 H ASP 62 -11.539 -7.582 -6.643 472 HA ASP 62 HA ASP 62 -10.475 -10.052 -7.664 473 1HB ASP 62 1HB ASP 62 -11.052 -7.461 -9.036 474 2HB ASP 62 2HB ASP 62 -10.602 -8.947 -9.852 475 H VAL 63 H VAL 63 -9.272 -6.896 -6.820 476 HA VAL 63 HA VAL 63 -6.802 -7.137 -8.237 477 HB VAL 63 HB VAL 63 -7.328 -5.345 -5.864 478 1HG1 VAL 63 1HG1 VAL 63 -5.681 -4.438 -8.120 479 2HG1 VAL 63 2HG1 VAL 63 -5.012 -5.785 -7.204 480 3HG1 VAL 63 3HG1 VAL 63 -5.419 -4.278 -6.384 481 1HG2 VAL 63 1HG2 VAL 63 -8.097 -3.653 -7.429 482 2HG2 VAL 63 2HG2 VAL 63 -9.116 -5.088 -7.541 483 3HG2 VAL 63 3HG2 VAL 63 -7.895 -4.776 -8.774 484 H ALA 64 H ALA 64 -7.685 -7.465 -4.783 485 HA ALA 64 HA ALA 64 -5.169 -8.208 -3.795 486 1HB ALA 64 1HB ALA 64 -7.586 -7.851 -2.666 487 2HB ALA 64 2HB ALA 64 -6.251 -8.676 -1.861 488 3HB ALA 64 3HB ALA 64 -7.512 -9.613 -2.663 489 H GLN 65 H GLN 65 -7.478 -9.935 -5.719 490 HA GLN 65 HA GLN 65 -6.180 -12.500 -5.291 491 1HB GLN 65 1HB GLN 65 -8.617 -12.441 -5.413 492 2HB GLN 65 2HB GLN 65 -8.544 -11.728 -7.014 493 1HG GLN 65 1HG GLN 65 -7.356 -14.413 -6.394 494 2HG GLN 65 2HG GLN 65 -9.045 -14.213 -6.844 495 1HE2 GLN 65 1HE2 GLN 65 -7.895 -11.870 -8.620 496 2HE2 GLN 65 2HE2 GLN 65 -7.400 -12.711 -10.039 497 H LYS 66 H LYS 66 -6.533 -10.047 -7.821 498 HA LYS 66 HA LYS 66 -5.353 -11.514 -9.903 499 1HB LYS 66 1HB LYS 66 -5.260 -9.522 -11.125 500 2HB LYS 66 2HB LYS 66 -6.627 -9.297 -10.048 501 1HG LYS 66 1HG LYS 66 -5.595 -7.275 -9.871 502 2HG LYS 66 2HG LYS 66 -4.872 -8.139 -8.522 503 1HD LYS 66 1HD LYS 66 -3.174 -6.915 -9.757 504 2HD LYS 66 2HD LYS 66 -2.906 -8.649 -9.905 505 1HE LYS 66 1HE LYS 66 -3.949 -8.635 -12.108 506 2HE LYS 66 2HE LYS 66 -4.275 -6.909 -11.953 507 1HZ LYS 66 1HZ LYS 66 -1.927 -6.471 -11.923 508 2HZ LYS 66 2HZ LYS 66 -2.290 -7.399 -13.290 509 3HZ LYS 66 3HZ LYS 66 -1.566 -8.124 -11.945 510 H ASN 67 H ASN 67 -3.940 -9.405 -7.443 511 HA ASN 67 HA ASN 67 -1.267 -9.818 -8.424 512 1HB ASN 67 1HB ASN 67 -2.400 -8.412 -6.002 513 2HB ASN 67 2HB ASN 67 -0.680 -8.488 -6.382 514 1HD2 ASN 67 1HD2 ASN 67 -3.314 -6.605 -6.578 515 2HD2 ASN 67 2HD2 ASN 67 -2.886 -5.621 -7.952 516 H GLU 68 H GLU 68 -3.362 -11.722 -6.779 517 HA GLU 68 HA GLU 68 -3.157 -13.626 -5.572 518 1HB GLU 68 1HB GLU 68 -0.199 -13.290 -6.102 519 2HB GLU 68 2HB GLU 68 -0.965 -14.742 -5.476 520 1HG GLU 68 1HG GLU 68 -2.238 -14.968 -7.545 521 2HG GLU 68 2HG GLU 68 -1.475 -13.509 -8.173 522 H VAL 69 H VAL 69 -3.230 -11.085 -4.219 523 HA VAL 69 HA VAL 69 -1.608 -11.717 -1.837 524 HB VAL 69 HB VAL 69 -2.796 -9.035 -2.555 525 1HG1 VAL 69 1HG1 VAL 69 -0.728 -9.763 -0.483 526 2HG1 VAL 69 2HG1 VAL 69 -2.436 -9.479 -0.144 527 3HG1 VAL 69 3HG1 VAL 69 -1.433 -8.170 -0.769 528 1HG2 VAL 69 1HG2 VAL 69 -1.066 -9.690 -4.164 529 2HG2 VAL 69 2HG2 VAL 69 0.057 -9.978 -2.835 530 3HG2 VAL 69 3HG2 VAL 69 -0.537 -8.347 -3.152 531 H SER 70 H SER 70 -3.565 -13.286 -1.679 532 HA SER 70 HA SER 70 -6.043 -12.162 -0.800 533 1HB SER 70 1HB SER 70 -6.668 -14.473 -0.253 534 2HB SER 70 2HB SER 70 -5.952 -14.374 -1.871 535 HG SER 70 HG SER 70 -4.592 -15.809 -1.184 536 H ALA 71 H ALA 71 -3.036 -12.643 0.693 537 HA ALA 71 HA ALA 71 -3.715 -13.321 3.310 538 1HB ALA 71 1HB ALA 71 -1.609 -11.502 3.526 539 2HB ALA 71 2HB ALA 71 -1.415 -12.244 1.937 540 3HB ALA 71 3HB ALA 71 -1.490 -13.256 3.380 541 H MET 72 H MET 72 -2.920 -11.296 5.008 542 HA MET 72 HA MET 72 -4.145 -8.820 4.483 543 1HB MET 72 1HB MET 72 -6.153 -8.965 5.805 544 2HB MET 72 2HB MET 72 -6.190 -10.169 4.527 545 1HG MET 72 1HG MET 72 -5.476 -10.702 7.395 546 2HG MET 72 2HG MET 72 -7.043 -11.010 6.661 547 1HE MET 72 1HE MET 72 -4.839 -13.931 7.850 548 2HE MET 72 2HE MET 72 -6.396 -14.400 7.167 549 3HE MET 72 3HE MET 72 -6.270 -12.945 8.156 550 HA PRO 73 HA PRO 73 -3.578 -7.155 4.769 551 1HB PRO 73 1HB PRO 73 -1.913 -5.192 5.378 552 2HB PRO 73 2HB PRO 73 -3.415 -5.414 6.300 553 1HG PRO 73 1HG PRO 73 -0.620 -6.172 7.015 554 2HG PRO 73 2HG PRO 73 -1.893 -5.491 8.035 555 1HD PRO 73 1HD PRO 73 -1.214 -8.192 7.876 556 2HD PRO 73 2HD PRO 73 -2.730 -7.542 8.534 557 H THR 74 H THR 74 -1.629 -5.786 3.526 558 HA THR 74 HA THR 74 0.794 -7.304 3.243 559 HB THR 74 HB THR 74 -1.130 -7.244 0.913 560 HG1 THR 74 HG1 THR 74 -0.576 -9.184 2.844 561 1HG2 THR 74 1HG2 THR 74 0.933 -9.179 0.647 562 2HG2 THR 74 2HG2 THR 74 1.661 -7.607 0.964 563 3HG2 THR 74 3HG2 THR 74 0.558 -7.806 -0.393 564 H LEU 75 H LEU 75 2.371 -6.217 1.979 565 HA LEU 75 HA LEU 75 1.641 -3.431 1.371 566 1HB LEU 75 1HB LEU 75 4.335 -4.585 2.078 567 2HB LEU 75 2HB LEU 75 4.014 -2.899 1.717 568 HG LEU 75 HG LEU 75 2.997 -4.457 4.093 569 1HD1 LEU 75 1HD1 LEU 75 5.204 -2.558 3.608 570 2HD1 LEU 75 2HD1 LEU 75 5.086 -3.898 4.744 571 3HD1 LEU 75 3HD1 LEU 75 4.296 -2.365 5.106 572 1HD2 LEU 75 1HD2 LEU 75 1.243 -3.040 3.877 573 2HD2 LEU 75 2HD2 LEU 75 2.150 -1.887 2.900 574 3HD2 LEU 75 3HD2 LEU 75 2.362 -1.917 4.651 575 H LEU 76 H LEU 76 1.697 -2.788 -0.665 576 HA LEU 76 HA LEU 76 3.386 -4.264 -2.574 577 1HB LEU 76 1HB LEU 76 0.617 -3.146 -3.049 578 2HB LEU 76 2HB LEU 76 1.655 -3.814 -4.306 579 HG LEU 76 HG LEU 76 0.320 -5.266 -2.031 580 1HD1 LEU 76 1HD1 LEU 76 0.155 -6.445 -4.653 581 2HD1 LEU 76 2HD1 LEU 76 -0.412 -4.776 -4.673 582 3HD1 LEU 76 3HD1 LEU 76 -1.134 -5.939 -3.562 583 1HD2 LEU 76 1HD2 LEU 76 2.761 -5.973 -3.539 584 2HD2 LEU 76 2HD2 LEU 76 1.557 -7.246 -3.345 585 3HD2 LEU 76 3HD2 LEU 76 2.243 -6.457 -1.925 586 H LEU 77 H LEU 77 4.848 -3.025 -3.565 587 HA LEU 77 HA LEU 77 4.426 -0.111 -3.545 588 1HB LEU 77 1HB LEU 77 7.004 -1.674 -3.689 589 2HB LEU 77 2HB LEU 77 6.878 0.074 -3.726 590 HG LEU 77 HG LEU 77 5.901 0.019 -1.442 591 1HD1 LEU 77 1HD1 LEU 77 6.137 -2.887 -1.915 592 2HD1 LEU 77 2HD1 LEU 77 4.967 -1.981 -0.956 593 3HD1 LEU 77 3HD1 LEU 77 6.575 -2.307 -0.308 594 1HD2 LEU 77 1HD2 LEU 77 8.637 -0.913 -2.106 595 2HD2 LEU 77 2HD2 LEU 77 8.132 -0.990 -0.418 596 3HD2 LEU 77 3HD2 LEU 77 8.105 0.550 -1.278 597 H PHE 78 H PHE 78 4.928 1.112 -5.390 598 HA PHE 78 HA PHE 78 5.538 -0.291 -7.883 599 1HB PHE 78 1HB PHE 78 3.073 1.445 -7.598 600 2HB PHE 78 2HB PHE 78 3.554 0.515 -9.007 601 HD1 PHE 78 HD1 PHE 78 3.742 -2.074 -8.637 602 HD2 PHE 78 HD2 PHE 78 1.548 0.571 -6.131 603 HE1 PHE 78 HE1 PHE 78 2.398 -3.967 -7.820 604 HE2 PHE 78 HE2 PHE 78 0.202 -1.316 -5.311 605 HZ PHE 78 HZ PHE 78 0.620 -3.584 -6.154 606 H LYS 79 H LYS 79 6.905 0.978 -9.131 607 HA LYS 79 HA LYS 79 6.868 3.878 -8.533 608 1HB LYS 79 1HB LYS 79 9.190 2.117 -9.296 609 2HB LYS 79 2HB LYS 79 9.251 3.869 -9.404 610 1HG LYS 79 1HG LYS 79 8.711 3.984 -6.984 611 2HG LYS 79 2HG LYS 79 8.822 2.227 -6.919 612 1HD LYS 79 1HD LYS 79 10.910 3.094 -6.170 613 2HD LYS 79 2HD LYS 79 11.173 2.442 -7.786 614 1HE LYS 79 1HE LYS 79 10.604 5.351 -7.276 615 2HE LYS 79 2HE LYS 79 12.235 4.687 -7.276 616 1HZ LYS 79 1HZ LYS 79 10.524 5.321 -9.486 617 2HZ LYS 79 2HZ LYS 79 11.173 3.762 -9.598 618 3HZ LYS 79 3HZ LYS 79 12.200 5.097 -9.448 619 H ASN 80 H ASN 80 6.705 5.339 -10.159 620 HA ASN 80 HA ASN 80 6.054 6.119 -12.194 621 1HB ASN 80 1HB ASN 80 8.173 4.147 -13.059 622 2HB ASN 80 2HB ASN 80 7.485 5.388 -14.102 623 1HD2 ASN 80 1HD2 ASN 80 8.652 7.141 -14.269 624 2HD2 ASN 80 2HD2 ASN 80 9.726 7.776 -13.073 625 H GLY 81 H GLY 81 4.140 4.477 -11.390 626 1HA GLY 81 1HA GLY 81 2.385 3.188 -12.094 627 2HA GLY 81 2HA GLY 81 2.838 3.677 -13.721 628 H LYS 82 H LYS 82 5.221 2.019 -11.907 629 HA LYS 82 HA LYS 82 4.622 -0.475 -13.352 630 1HB LYS 82 1HB LYS 82 7.337 0.692 -12.697 631 2HB LYS 82 2HB LYS 82 7.060 -0.859 -13.473 632 1HG LYS 82 1HG LYS 82 6.027 0.263 -15.373 633 2HG LYS 82 2HG LYS 82 6.305 1.822 -14.600 634 1HD LYS 82 1HD LYS 82 8.718 1.418 -14.648 635 2HD LYS 82 2HD LYS 82 8.440 -0.147 -15.413 636 1HE LYS 82 1HE LYS 82 7.711 2.544 -16.563 637 2HE LYS 82 2HE LYS 82 9.078 1.546 -17.056 638 1HZ LYS 82 1HZ LYS 82 6.335 1.371 -17.830 639 2HZ LYS 82 2HZ LYS 82 6.916 -0.111 -17.260 640 3HZ LYS 82 3HZ LYS 82 7.701 0.667 -18.540 641 H GLU 83 H GLU 83 6.782 -1.855 -12.021 642 HA GLU 83 HA GLU 83 5.555 -2.151 -9.367 643 1HB GLU 83 1HB GLU 83 5.375 -4.098 -10.872 644 2HB GLU 83 2HB GLU 83 7.119 -4.123 -11.058 645 1HG GLU 83 1HG GLU 83 7.425 -4.790 -8.795 646 2HG GLU 83 2HG GLU 83 5.716 -4.534 -8.430 647 H VAL 84 H VAL 84 7.300 -3.219 -7.796 648 HA VAL 84 HA VAL 84 10.010 -2.436 -8.164 649 HB VAL 84 HB VAL 84 10.039 -0.915 -6.116 650 1HG1 VAL 84 1HG1 VAL 84 8.629 0.528 -8.273 651 2HG1 VAL 84 2HG1 VAL 84 10.074 -0.375 -8.732 652 3HG1 VAL 84 3HG1 VAL 84 10.170 0.869 -7.490 653 1HG2 VAL 84 1HG2 VAL 84 8.105 -0.613 -5.074 654 2HG2 VAL 84 2HG2 VAL 84 7.204 -1.361 -6.389 655 3HG2 VAL 84 3HG2 VAL 84 7.590 0.356 -6.452 656 H ALA 85 H ALA 85 7.522 -3.171 -5.702 657 HA ALA 85 HA ALA 85 8.938 -5.499 -4.876 658 1HB ALA 85 1HB ALA 85 9.231 -4.573 -2.464 659 2HB ALA 85 2HB ALA 85 9.259 -3.005 -3.269 660 3HB ALA 85 3HB ALA 85 10.452 -4.233 -3.689 661 H LYS 86 H LYS 86 7.987 -6.424 -2.820 662 HA LYS 86 HA LYS 86 5.371 -5.551 -2.045 663 1HB LYS 86 1HB LYS 86 4.115 -7.451 -2.813 664 2HB LYS 86 2HB LYS 86 4.896 -6.701 -4.197 665 1HG LYS 86 1HG LYS 86 5.991 -9.100 -2.764 666 2HG LYS 86 2HG LYS 86 4.933 -9.196 -4.168 667 1HD LYS 86 1HD LYS 86 7.644 -7.873 -4.072 668 2HD LYS 86 2HD LYS 86 7.271 -9.424 -4.818 669 1HE LYS 86 1HE LYS 86 6.186 -6.733 -5.640 670 2HE LYS 86 2HE LYS 86 7.389 -7.689 -6.506 671 1HZ LYS 86 1HZ LYS 86 4.504 -8.035 -6.353 672 2HZ LYS 86 2HZ LYS 86 5.426 -9.454 -6.347 673 3HZ LYS 86 3HZ LYS 86 5.569 -8.360 -7.628 674 H VAL 87 H VAL 87 4.966 -6.194 -0.009 675 HA VAL 87 HA VAL 87 6.240 -8.608 1.022 676 HB VAL 87 HB VAL 87 6.585 -5.932 2.385 677 1HG1 VAL 87 1HG1 VAL 87 8.241 -8.173 3.249 678 2HG1 VAL 87 2HG1 VAL 87 6.518 -8.427 3.525 679 3HG1 VAL 87 3HG1 VAL 87 7.319 -7.010 4.202 680 1HG2 VAL 87 1HG2 VAL 87 8.633 -7.641 0.976 681 2HG2 VAL 87 2HG2 VAL 87 8.949 -6.137 1.842 682 3HG2 VAL 87 3HG2 VAL 87 7.973 -6.120 0.374 683 H VAL 88 H VAL 88 4.531 -9.702 1.740 684 HA VAL 88 HA VAL 88 2.141 -8.478 2.662 685 HB VAL 88 HB VAL 88 2.037 -10.666 1.641 686 1HG1 VAL 88 1HG1 VAL 88 3.851 -11.945 2.024 687 2HG1 VAL 88 2HG1 VAL 88 2.905 -12.545 3.387 688 3HG1 VAL 88 3HG1 VAL 88 4.110 -11.281 3.637 689 1HG2 VAL 88 1HG2 VAL 88 0.221 -11.020 2.864 690 2HG2 VAL 88 2HG2 VAL 88 0.878 -10.024 4.162 691 3HG2 VAL 88 3HG2 VAL 88 1.212 -11.755 4.125 692 H GLY 89 H GLY 89 3.372 -7.066 4.227 693 1HA GLY 89 1HA GLY 89 2.711 -7.460 6.805 694 2HA GLY 89 2HA GLY 89 4.231 -8.335 6.686 695 H ALA 90 H ALA 90 2.902 -5.455 7.530 696 HA ALA 90 HA ALA 90 5.167 -3.818 6.663 697 1HB ALA 90 1HB ALA 90 2.950 -2.721 8.320 698 2HB ALA 90 2HB ALA 90 2.622 -3.151 6.641 699 3HB ALA 90 3HB ALA 90 3.870 -1.963 7.020 700 H ASN 91 H ASN 91 5.719 -5.859 8.542 701 HA ASN 91 HA ASN 91 5.752 -4.934 11.194 702 1HB ASN 91 1HB ASN 91 7.514 -6.946 9.784 703 2HB ASN 91 2HB ASN 91 7.413 -6.732 11.521 704 1HD2 ASN 91 1HD2 ASN 91 6.215 -8.188 12.487 705 2HD2 ASN 91 2HD2 ASN 91 4.811 -8.951 11.829 706 HA PRO 92 HA PRO 92 8.797 -1.691 11.055 707 1HB PRO 92 1HB PRO 92 9.490 -2.879 13.715 708 2HB PRO 92 2HB PRO 92 9.255 -1.184 13.268 709 1HG PRO 92 1HG PRO 92 7.331 -2.462 14.544 710 2HG PRO 92 2HG PRO 92 6.934 -1.396 13.180 711 1HD PRO 92 1HD PRO 92 7.029 -4.382 13.283 712 2HD PRO 92 2HD PRO 92 5.904 -3.317 12.412 713 H ALA 93 H ALA 93 10.033 -2.793 9.381 714 HA ALA 93 HA ALA 93 12.698 -3.221 10.031 715 1HB ALA 93 1HB ALA 93 11.076 -5.536 10.511 716 2HB ALA 93 2HB ALA 93 12.802 -5.307 10.785 717 3HB ALA 93 3HB ALA 93 12.227 -5.870 9.216 718 H ALA 94 H ALA 94 10.062 -4.050 7.832 719 HA ALA 94 HA ALA 94 11.936 -3.688 5.593 720 1HB ALA 94 1HB ALA 94 10.054 -5.016 4.336 721 2HB ALA 94 2HB ALA 94 9.673 -5.585 5.961 722 3HB ALA 94 3HB ALA 94 11.277 -5.861 5.284 723 H ILE 95 H ILE 95 8.559 -3.159 6.585 724 HA ILE 95 HA ILE 95 7.735 -1.658 4.411 725 HB ILE 95 HB ILE 95 6.157 -2.355 6.083 726 1HG1 ILE 95 1HG1 ILE 95 4.889 -0.303 6.435 727 2HG1 ILE 95 2HG1 ILE 95 6.325 0.667 6.124 728 1HG2 ILE 95 1HG2 ILE 95 7.987 -0.925 7.899 729 2HG2 ILE 95 2HG2 ILE 95 7.042 -2.393 8.156 730 3HG2 ILE 95 3HG2 ILE 95 6.266 -0.813 8.273 731 1HD1 ILE 95 1HD1 ILE 95 6.138 -0.839 3.852 732 2HD1 ILE 95 2HD1 ILE 95 5.536 0.804 4.046 733 3HD1 ILE 95 3HD1 ILE 95 4.447 -0.564 4.268 734 H LYS 96 H LYS 96 10.143 -0.872 6.702 735 HA LYS 96 HA LYS 96 9.858 2.005 6.295 736 1HB LYS 96 1HB LYS 96 11.716 2.210 7.897 737 2HB LYS 96 2HB LYS 96 10.389 1.261 8.550 738 1HG LYS 96 1HG LYS 96 11.637 -0.797 8.007 739 2HG LYS 96 2HG LYS 96 12.982 0.201 7.453 740 1HD LYS 96 1HD LYS 96 11.827 0.188 10.240 741 2HD LYS 96 2HD LYS 96 13.334 -0.586 9.744 742 1HE LYS 96 1HE LYS 96 14.245 1.594 9.114 743 2HE LYS 96 2HE LYS 96 12.739 2.368 9.605 744 1HZ LYS 96 1HZ LYS 96 14.120 0.696 11.570 745 2HZ LYS 96 2HZ LYS 96 13.210 2.104 11.800 746 3HZ LYS 96 3HZ LYS 96 14.793 2.209 11.214 747 H GLN 97 H GLN 97 12.318 -0.516 5.762 748 HA GLN 97 HA GLN 97 14.006 1.228 4.255 749 1HB GLN 97 1HB GLN 97 13.995 -1.791 4.466 750 2HB GLN 97 2HB GLN 97 15.268 -0.837 3.717 751 1HG GLN 97 1HG GLN 97 15.708 0.245 5.871 752 2HG GLN 97 2HG GLN 97 14.456 -0.749 6.613 753 1HE2 GLN 97 1HE2 GLN 97 15.228 -2.397 7.699 754 2HE2 GLN 97 2HE2 GLN 97 16.656 -3.294 7.323 755 H ALA 98 H ALA 98 11.460 -1.050 3.523 756 HA ALA 98 HA ALA 98 11.890 -1.349 0.769 757 1HB ALA 98 1HB ALA 98 9.561 -2.038 0.640 758 2HB ALA 98 2HB ALA 98 9.257 -1.360 2.240 759 3HB ALA 98 3HB ALA 98 10.334 -2.743 2.060 760 H ILE 99 H ILE 99 10.597 1.259 2.633 761 HA ILE 99 HA ILE 99 9.490 2.616 0.313 762 HB ILE 99 HB ILE 99 9.648 3.474 3.211 763 1HG1 ILE 99 1HG1 ILE 99 7.344 2.399 1.566 764 2HG1 ILE 99 2HG1 ILE 99 8.195 1.530 2.840 765 1HG2 ILE 99 1HG2 ILE 99 8.103 4.711 0.929 766 2HG2 ILE 99 2HG2 ILE 99 9.565 5.380 1.652 767 3HG2 ILE 99 3HG2 ILE 99 8.094 5.242 2.611 768 1HD1 ILE 99 1HD1 ILE 99 7.258 2.822 4.517 769 2HD1 ILE 99 2HD1 ILE 99 5.933 2.632 3.368 770 3HD1 ILE 99 3HD1 ILE 99 6.851 4.135 3.415 771 H ALA 100 H ALA 100 12.427 2.469 2.062 772 HA ALA 100 HA ALA 100 13.317 5.112 1.234 773 1HB ALA 100 1HB ALA 100 14.815 2.980 2.753 774 2HB ALA 100 2HB ALA 100 13.872 4.277 3.487 775 3HB ALA 100 3HB ALA 100 15.305 4.661 2.534 776 H ALA 101 H ALA 101 14.743 1.854 1.025 777 HA ALA 101 HA ALA 101 16.630 2.340 -0.904 778 1HB ALA 101 1HB ALA 101 15.998 -0.174 -1.559 779 2HB ALA 101 2HB ALA 101 15.157 -0.062 -0.014 780 3HB ALA 101 3HB ALA 101 16.893 0.242 -0.098 781 H ASN 102 H ASN 102 13.178 2.002 -1.306 782 HA ASN 102 HA ASN 102 13.411 1.818 -4.194 783 1HB ASN 102 1HB ASN 102 11.146 1.672 -2.233 784 2HB ASN 102 2HB ASN 102 10.832 1.922 -3.950 785 1HD2 ASN 102 1HD2 ASN 102 10.977 -0.357 -1.648 786 2HD2 ASN 102 2HD2 ASN 102 11.387 -1.737 -2.602 787 H ALA 103 H ALA 103 12.382 4.129 -1.727 788 HA ALA 103 HA ALA 103 12.094 6.158 -3.848 789 1HB ALA 103 1HB ALA 103 10.951 6.356 -1.073 790 2HB ALA 103 2HB ALA 103 10.079 5.637 -2.423 791 3HB ALA 103 3HB ALA 103 10.556 7.332 -2.487
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